smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1C#N ZINC000414818132 533886056 /nfs/dbraw/zinc/88/60/56/533886056.db2.gz UUXPSGKYCYPJHU-CYBMUJFWSA-N 1 3 295.386 2.876 20 30 CFEDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423114536 534350594 /nfs/dbraw/zinc/35/05/94/534350594.db2.gz ZNKRFFYOKGAUKO-CYBMUJFWSA-N 1 3 294.402 2.614 20 30 CFEDHO C=CCC[C@@H]([NH2+]CC1CCN(CCO)CC1)c1ccco1 ZINC000353501016 527447835 /nfs/dbraw/zinc/44/78/35/527447835.db2.gz HKJGHQOLXUCKMO-MRXNPFEDSA-N 1 3 292.423 2.581 20 30 CFEDHO C=CCC[C@@H](NCC1CC[NH+](CCO)CC1)c1ccco1 ZINC000353501016 527447843 /nfs/dbraw/zinc/44/78/43/527447843.db2.gz HKJGHQOLXUCKMO-MRXNPFEDSA-N 1 3 292.423 2.581 20 30 CFEDHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(C)C#N ZINC000347876924 528126156 /nfs/dbraw/zinc/12/61/56/528126156.db2.gz YKIMWXDBGKOUOZ-ZDUSSCGKSA-N 1 3 293.436 2.578 20 30 CFEDHO C=CCCOCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925633468 618365661 /nfs/dbraw/zinc/36/56/61/618365661.db2.gz XHKDJGBQHIZYPP-UHFFFAOYSA-N 1 3 268.445 2.679 20 30 CFEDHO CC1(C)C[C@@H](NCc2ccc(CC#N)cc2)C[C@@H]([NH3+])C1 ZINC000925706290 618960642 /nfs/dbraw/zinc/96/06/42/618960642.db2.gz NASQVTHOYRSSKE-CVEARBPZSA-N 1 3 271.408 2.748 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000895556274 619554521 /nfs/dbraw/zinc/55/45/21/619554521.db2.gz GPWRXXUBSRRSTK-LSDHHAIUSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000895556274 619554522 /nfs/dbraw/zinc/55/45/22/619554522.db2.gz GPWRXXUBSRRSTK-LSDHHAIUSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@@H](CCC#N)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556274 619554523 /nfs/dbraw/zinc/55/45/23/619554523.db2.gz GPWRXXUBSRRSTK-LSDHHAIUSA-N 1 3 272.396 2.532 20 30 CFEDHO C#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000175008980 620086987 /nfs/dbraw/zinc/08/69/87/620086987.db2.gz FUMPILHIXMXGIY-IAGOWNOFSA-N 1 3 286.419 2.661 20 30 CFEDHO C[C@H](NCCCCC[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902999672 621225250 /nfs/dbraw/zinc/22/52/50/621225250.db2.gz DIGPUJIENDSJMV-HNNXBMFYSA-N 1 3 286.423 2.870 20 30 CFEDHO CC(C)(C#N)CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000903102048 621253145 /nfs/dbraw/zinc/25/31/45/621253145.db2.gz QPGXZVKEHXIDTP-UHFFFAOYSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1CCN ZINC000903460617 621381052 /nfs/dbraw/zinc/38/10/52/621381052.db2.gz FRWDTQSTPMTLIQ-LBDPXKHJSA-N 1 3 263.429 2.766 20 30 CFEDHO C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1CCN ZINC000903460617 621381053 /nfs/dbraw/zinc/38/10/53/621381053.db2.gz FRWDTQSTPMTLIQ-LBDPXKHJSA-N 1 3 263.429 2.766 20 30 CFEDHO C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1CCN ZINC000903460618 621381542 /nfs/dbraw/zinc/38/15/42/621381542.db2.gz FRWDTQSTPMTLIQ-LMPOIIKSSA-N 1 3 263.429 2.766 20 30 CFEDHO C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1CCN ZINC000903460618 621381545 /nfs/dbraw/zinc/38/15/45/621381545.db2.gz FRWDTQSTPMTLIQ-LMPOIIKSSA-N 1 3 263.429 2.766 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903805492 621445880 /nfs/dbraw/zinc/44/58/80/621445880.db2.gz PARXJVASIUMZRG-SJLPKXTDSA-N 1 3 283.419 2.878 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903805492 621445881 /nfs/dbraw/zinc/44/58/81/621445881.db2.gz PARXJVASIUMZRG-SJLPKXTDSA-N 1 3 283.419 2.878 20 30 CFEDHO CC(C)C[C@H]([NH3+])CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000903987356 621499508 /nfs/dbraw/zinc/49/95/08/621499508.db2.gz CZDNGMFIWUJNKL-INIZCTEOSA-N 1 3 273.424 2.842 20 30 CFEDHO C#CCOc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000172112505 623260652 /nfs/dbraw/zinc/26/06/52/623260652.db2.gz RLXVZHMPTKWMSF-UHFFFAOYSA-N 1 3 286.419 2.664 20 30 CFEDHO CCCCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638286 624799131 /nfs/dbraw/zinc/79/91/31/624799131.db2.gz ZBTDKBOIDAXFGZ-UHFFFAOYSA-N 1 3 268.445 2.753 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000921715152 626097797 /nfs/dbraw/zinc/09/77/97/626097797.db2.gz DZKBVHHAQPSLIU-OAHLLOKOSA-N 1 3 271.408 2.607 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCC[N@H+](C)C1 ZINC000921715152 626097798 /nfs/dbraw/zinc/09/77/98/626097798.db2.gz DZKBVHHAQPSLIU-OAHLLOKOSA-N 1 3 271.408 2.607 20 30 CFEDHO CCCCCCC[NH+]1CCC(NCCOC)CC1 ZINC000846223565 632668584 /nfs/dbraw/zinc/66/85/84/632668584.db2.gz UQAOIPZJEXRYSJ-UHFFFAOYSA-N 1 3 256.434 2.657 20 30 CFEDHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969352 632769005 /nfs/dbraw/zinc/76/90/05/632769005.db2.gz CASGEMCUTMUPOB-NWANDNLSSA-N 1 3 273.380 2.509 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CC1(C)C ZINC000858129100 636134720 /nfs/dbraw/zinc/13/47/20/636134720.db2.gz CTAZJJKOQMUXOT-HNNXBMFYSA-N 1 3 287.407 2.551 20 30 CFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434608 644271736 /nfs/dbraw/zinc/27/17/36/644271736.db2.gz LVZFQZNCHSEDLA-SFHVURJKSA-N 1 3 285.435 2.907 20 30 CFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434608 644271739 /nfs/dbraw/zinc/27/17/39/644271739.db2.gz LVZFQZNCHSEDLA-SFHVURJKSA-N 1 3 285.435 2.907 20 30 CFEDHO CCN(CC)[C@H](CNC(=[NH2+])N1CCCCC1)CC(C)C ZINC000303790350 651002714 /nfs/dbraw/zinc/00/27/14/651002714.db2.gz WCFKBLYMTSJVKG-HNNXBMFYSA-N 1 3 282.476 2.544 20 30 CFEDHO CCc1cccc(NC(=[NH2+])NC[C@H](CC)N2CCCC2)c1 ZINC000303876168 651004803 /nfs/dbraw/zinc/00/48/03/651004803.db2.gz DSUYIGUENLQHEE-INIZCTEOSA-N 1 3 288.439 2.850 20 30 CFEDHO C=C(C)C[NH+]1CCC(N[C@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886524289 647028996 /nfs/dbraw/zinc/02/89/96/647028996.db2.gz HQISDBBILSCJID-KRWDZBQOSA-N 1 3 290.455 2.747 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@H](C)CC(C)(C)C#N ZINC000926645072 648560589 /nfs/dbraw/zinc/56/05/89/648560589.db2.gz NORHEGJCJFTZTC-CQSZACIVSA-N 1 3 253.434 2.882 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@H](C)CC(C)(C)C#N ZINC000926645072 648560591 /nfs/dbraw/zinc/56/05/91/648560591.db2.gz NORHEGJCJFTZTC-CQSZACIVSA-N 1 3 253.434 2.882 20 30 CFEDHO CN1CCC[C@@H](C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929698839 649100269 /nfs/dbraw/zinc/10/02/69/649100269.db2.gz AMYDOSCKDIDRNG-CYBMUJFWSA-N 1 3 291.826 2.985 20 30 CFEDHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929698839 649100271 /nfs/dbraw/zinc/10/02/71/649100271.db2.gz AMYDOSCKDIDRNG-CYBMUJFWSA-N 1 3 291.826 2.985 20 30 CFEDHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695793043 776012498 /nfs/dbraw/zinc/01/24/98/776012498.db2.gz XEKILURIZCFZHQ-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695793043 776012508 /nfs/dbraw/zinc/01/25/08/776012508.db2.gz XEKILURIZCFZHQ-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000695793043 776012517 /nfs/dbraw/zinc/01/25/17/776012517.db2.gz XEKILURIZCFZHQ-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO C=CCCC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168615686 780075919 /nfs/dbraw/zinc/07/59/19/780075919.db2.gz RULYXLGEHLLUPL-UHFFFAOYSA-N 1 3 297.487 2.561 20 30 CFEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700820359 780727414 /nfs/dbraw/zinc/72/74/14/780727414.db2.gz XHQMENCLDZWPCA-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000700820359 780727423 /nfs/dbraw/zinc/72/74/23/780727423.db2.gz XHQMENCLDZWPCA-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000700820359 780727431 /nfs/dbraw/zinc/72/74/31/780727431.db2.gz XHQMENCLDZWPCA-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C#N ZINC000701857499 780849244 /nfs/dbraw/zinc/84/92/44/780849244.db2.gz IFELOFWSEIDAMJ-ALOPSCKCSA-N 1 3 269.392 2.582 20 30 CFEDHO N#Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000594584543 349451495 /nfs/dbraw/zinc/45/14/95/349451495.db2.gz UWNRTLDLVICFDZ-QWHCGFSZSA-N 1 3 263.772 2.571 20 30 CFEDHO CCN1CC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594925154 349511479 /nfs/dbraw/zinc/51/14/79/349511479.db2.gz LKHHCQJDZPJPEB-MRXNPFEDSA-N 1 3 283.419 2.673 20 30 CFEDHO C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CN(C)C ZINC000594944369 349522813 /nfs/dbraw/zinc/52/28/13/349522813.db2.gz OLVPKAVKVFIQBL-CQSZACIVSA-N 1 3 271.408 2.529 20 30 CFEDHO C=CCCSCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594959764 349530115 /nfs/dbraw/zinc/53/01/15/349530115.db2.gz CLDWMGUBFQFZIZ-ZIAGYGMSSA-N 1 3 254.443 2.512 20 30 CFEDHO C=CCCSCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594959764 349530121 /nfs/dbraw/zinc/53/01/21/349530121.db2.gz CLDWMGUBFQFZIZ-ZIAGYGMSSA-N 1 3 254.443 2.512 20 30 CFEDHO C[C@H](NCC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000595089955 349577608 /nfs/dbraw/zinc/57/76/08/349577608.db2.gz ARVQVBBIZZWAQI-AWEZNQCLSA-N 1 3 263.429 2.780 20 30 CFEDHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346841 349607561 /nfs/dbraw/zinc/60/75/61/349607561.db2.gz MGYLJZRVSAFPIR-YJBOKZPZSA-N 1 3 285.435 2.905 20 30 CFEDHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346841 349607567 /nfs/dbraw/zinc/60/75/67/349607567.db2.gz MGYLJZRVSAFPIR-YJBOKZPZSA-N 1 3 285.435 2.905 20 30 CFEDHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375847 349612118 /nfs/dbraw/zinc/61/21/18/349612118.db2.gz FAKHJLLJVFLCDR-MAUKXSAKSA-N 1 3 285.435 2.763 20 30 CFEDHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375847 349612120 /nfs/dbraw/zinc/61/21/20/349612120.db2.gz FAKHJLLJVFLCDR-MAUKXSAKSA-N 1 3 285.435 2.763 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595504451 349644840 /nfs/dbraw/zinc/64/48/40/349644840.db2.gz JOHDUUSCNUTYKU-SFHVURJKSA-N 1 3 283.419 2.784 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595504451 349644841 /nfs/dbraw/zinc/64/48/41/349644841.db2.gz JOHDUUSCNUTYKU-SFHVURJKSA-N 1 3 283.419 2.784 20 30 CFEDHO N#Cc1ccc(CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000595895753 349764110 /nfs/dbraw/zinc/76/41/10/349764110.db2.gz UKONSEKYOHKBMT-ROUUACIJSA-N 1 3 283.419 2.565 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095392 349793898 /nfs/dbraw/zinc/79/38/98/349793898.db2.gz PZITXJMYVAOTPA-BRWVUGGUSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596095392 349793903 /nfs/dbraw/zinc/79/39/03/349793903.db2.gz PZITXJMYVAOTPA-BRWVUGGUSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000596095392 349793908 /nfs/dbraw/zinc/79/39/08/349793908.db2.gz PZITXJMYVAOTPA-BRWVUGGUSA-N 1 3 275.440 2.780 20 30 CFEDHO N#CC1(c2ccccc2)CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000596653896 349969729 /nfs/dbraw/zinc/96/97/29/349969729.db2.gz MFGLWVNNNVLARR-UHFFFAOYSA-N 1 3 295.430 2.732 20 30 CFEDHO N#CC1(c2ccccc2)CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000596653896 349969730 /nfs/dbraw/zinc/96/97/30/349969730.db2.gz MFGLWVNNNVLARR-UHFFFAOYSA-N 1 3 295.430 2.732 20 30 CFEDHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000596652074 349968788 /nfs/dbraw/zinc/96/87/88/349968788.db2.gz GDZBJZYDHYMBAH-HZPDHXFCSA-N 1 3 257.381 2.509 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000591578389 349032009 /nfs/dbraw/zinc/03/20/09/349032009.db2.gz YPAUMUOCTJDMTH-VYDXJSESSA-N 1 3 269.392 2.795 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC000591686617 349038589 /nfs/dbraw/zinc/03/85/89/349038589.db2.gz WFLLTCMCVJELEQ-IXDOHACOSA-N 1 3 269.392 2.795 20 30 CFEDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000599071785 350371205 /nfs/dbraw/zinc/37/12/05/350371205.db2.gz SWIKSMHOZHEHNP-HOCLYGCPSA-N 1 3 271.408 2.941 20 30 CFEDHO CCN(CCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657675 350475383 /nfs/dbraw/zinc/47/53/83/350475383.db2.gz KDHZIWAGIVTPKJ-UHFFFAOYSA-N 1 3 259.397 2.874 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CCCN1CCCC[C@H]1C ZINC000602504818 350908028 /nfs/dbraw/zinc/90/80/28/350908028.db2.gz WGDYFZXJMPTUCP-HUUCEWRRSA-N 1 3 251.418 2.780 20 30 CFEDHO CC1CC[NH+](CCCCNCc2cccc(C#N)n2)CC1 ZINC000602515807 350912148 /nfs/dbraw/zinc/91/21/48/350912148.db2.gz YOXGJZQKDYAUJU-UHFFFAOYSA-N 1 3 286.423 2.555 20 30 CFEDHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602575981 350931134 /nfs/dbraw/zinc/93/11/34/350931134.db2.gz ZNUCXRUIROEDBK-JKSUJKDBSA-N 1 3 265.445 2.884 20 30 CFEDHO N#CC1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000602583273 350934432 /nfs/dbraw/zinc/93/44/32/350934432.db2.gz WWEINBYZMZNYBT-UHFFFAOYSA-N 1 3 298.434 2.970 20 30 CFEDHO C[C@@H](CC[NH2+]C1CCC(C#N)CC1)N1CCCCC1 ZINC000602607187 350943340 /nfs/dbraw/zinc/94/33/40/350943340.db2.gz IAVNSAMUFQJIEH-FHERZECASA-N 1 3 263.429 2.923 20 30 CFEDHO C(#CC[NH+]1CCC2(CC2)CC1)CN1CCC2(CC2)CC1 ZINC000671242537 540589248 /nfs/dbraw/zinc/58/92/48/540589248.db2.gz KSIFTKLQWCFLLH-UHFFFAOYSA-N 1 3 272.436 2.742 20 30 CFEDHO Cc1ccc(NC(=[NH2+])NCC(C)(C)CN(C)C)cc1C ZINC000264140079 383698912 /nfs/dbraw/zinc/69/89/12/383698912.db2.gz WDRQVZHFQSMVDH-UHFFFAOYSA-N 1 3 276.428 2.618 20 30 CFEDHO C=CCN(CC=C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121060 541956360 /nfs/dbraw/zinc/95/63/60/541956360.db2.gz YJZLSGLMRRFYDS-UHFFFAOYSA-N 1 3 274.408 2.801 20 30 CFEDHO C=C(C)COCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090451242 375015569 /nfs/dbraw/zinc/01/55/69/375015569.db2.gz WGZRUKBDCAFYGB-UHFFFAOYSA-N 1 3 280.456 2.966 20 30 CFEDHO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000152069539 378389585 /nfs/dbraw/zinc/38/95/85/378389585.db2.gz ICEACAKMFIDFCI-BZSNNMDCSA-N 1 3 293.499 2.615 20 30 CFEDHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000169781447 379110512 /nfs/dbraw/zinc/11/05/12/379110512.db2.gz HQGLCIOICFCJII-GOSISDBHSA-N 1 3 283.419 2.722 20 30 CFEDHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000169781447 379110517 /nfs/dbraw/zinc/11/05/17/379110517.db2.gz HQGLCIOICFCJII-GOSISDBHSA-N 1 3 283.419 2.722 20 30 CFEDHO C[NH+]1CCC([C@H]2CCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000335673949 379701063 /nfs/dbraw/zinc/70/10/63/379701063.db2.gz IBPUDRHPZSJNSS-HNNXBMFYSA-N 1 3 289.448 2.783 20 30 CFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008626 379978122 /nfs/dbraw/zinc/97/81/22/379978122.db2.gz ITRTZUUISFVHNK-HZPDHXFCSA-N 1 3 257.381 2.521 20 30 CFEDHO N#C[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000336423237 380343838 /nfs/dbraw/zinc/34/38/38/380343838.db2.gz BUSUDWWJEKRUJE-ZFWWWQNUSA-N 1 3 261.413 2.675 20 30 CFEDHO CCC[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000343538891 381782459 /nfs/dbraw/zinc/78/24/59/381782459.db2.gz UZSVZJGCDAKZSH-UHFFFAOYSA-N 1 3 271.408 2.565 20 30 CFEDHO C=CC1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420302456 382354600 /nfs/dbraw/zinc/35/46/00/382354600.db2.gz MGDSFLVJDMLSCZ-INIZCTEOSA-N 1 3 274.408 2.636 20 30 CFEDHO CN(C(=[NH2+])NCC1(N2CCCCC2)CCCCC1)C1CC1 ZINC000305807462 382446317 /nfs/dbraw/zinc/44/63/17/382446317.db2.gz HCEIKHZGSSIJEZ-UHFFFAOYSA-N 1 3 292.471 2.584 20 30 CFEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(C#N)n(C)c1 ZINC000190772159 382680317 /nfs/dbraw/zinc/68/03/17/382680317.db2.gz FQCYYGHKXMXYSI-HNNXBMFYSA-N 1 3 288.439 2.641 20 30 CFEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(C#N)n(C)c1 ZINC000190772159 382680318 /nfs/dbraw/zinc/68/03/18/382680318.db2.gz FQCYYGHKXMXYSI-HNNXBMFYSA-N 1 3 288.439 2.641 20 30 CFEDHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506850 382720598 /nfs/dbraw/zinc/72/05/98/382720598.db2.gz ZACQAOCQFOWQPL-HUUCEWRRSA-N 1 3 299.418 2.724 20 30 CFEDHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506850 382720599 /nfs/dbraw/zinc/72/05/99/382720599.db2.gz ZACQAOCQFOWQPL-HUUCEWRRSA-N 1 3 299.418 2.724 20 30 CFEDHO C[NH+]1CCC(C)(CNCc2ccc(C#N)cc2F)CC1 ZINC000227327358 382835655 /nfs/dbraw/zinc/83/56/55/382835655.db2.gz SMHKRHLTBQVPCD-UHFFFAOYSA-N 1 3 275.371 2.519 20 30 CFEDHO C[C@@H]1CCC[C@](CN[C@@H]2CC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000442712280 382947955 /nfs/dbraw/zinc/94/79/55/382947955.db2.gz GEBIIENMMYEGBS-QXSJWSMHSA-N 1 3 263.429 2.779 20 30 CFEDHO CCC(CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000442722165 382949757 /nfs/dbraw/zinc/94/97/57/382949757.db2.gz UWHFFCRCYBUDOU-CFVMTHIKSA-N 1 3 251.418 2.635 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000442776632 382954040 /nfs/dbraw/zinc/95/40/40/382954040.db2.gz CCMCUADEHWNEAR-CEXWTWQISA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776632 382954043 /nfs/dbraw/zinc/95/40/43/382954043.db2.gz CCMCUADEHWNEAR-CEXWTWQISA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000442776632 382954045 /nfs/dbraw/zinc/95/40/45/382954045.db2.gz CCMCUADEHWNEAR-CEXWTWQISA-N 1 3 297.446 2.833 20 30 CFEDHO CC#CCN1CCC(CCC[N@@H+](CC)CC#CC)CC1 ZINC000499258332 383135434 /nfs/dbraw/zinc/13/54/34/383135434.db2.gz ZUQQPMWUMKYUPY-UHFFFAOYSA-N 1 3 274.452 2.847 20 30 CFEDHO CC#CCN1CCC(CCC[N@H+](CC)CC#CC)CC1 ZINC000499258332 383135436 /nfs/dbraw/zinc/13/54/36/383135436.db2.gz ZUQQPMWUMKYUPY-UHFFFAOYSA-N 1 3 274.452 2.847 20 30 CFEDHO N#CCC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562054 383165348 /nfs/dbraw/zinc/16/53/48/383165348.db2.gz KOFAFMLXMWGRPX-MAUKXSAKSA-N 1 3 297.402 2.526 20 30 CFEDHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)ccc1C#N ZINC000488449246 383542473 /nfs/dbraw/zinc/54/24/73/383542473.db2.gz OYMKSVVTINEQEL-MRXNPFEDSA-N 1 3 271.408 2.640 20 30 CFEDHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)ccc1C#N ZINC000488449246 383542476 /nfs/dbraw/zinc/54/24/76/383542476.db2.gz OYMKSVVTINEQEL-MRXNPFEDSA-N 1 3 271.408 2.640 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938647 385405837 /nfs/dbraw/zinc/40/58/37/385405837.db2.gz ODUOAMWDGKHEMT-OLZOCXBDSA-N 1 3 275.371 2.690 20 30 CFEDHO CN1CC=C(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000263153020 393961665 /nfs/dbraw/zinc/96/16/65/393961665.db2.gz MHJBNMTWHKEZLS-UHFFFAOYSA-N 1 3 298.434 2.554 20 30 CFEDHO CCC[NH+]1CCC(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000421330991 394189323 /nfs/dbraw/zinc/18/93/23/394189323.db2.gz YYHOBMUUZJMBQT-UHFFFAOYSA-N 1 3 289.398 2.909 20 30 CFEDHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423276025 394276226 /nfs/dbraw/zinc/27/62/26/394276226.db2.gz NXWYOGWGAJIGNJ-IAGOWNOFSA-N 1 3 271.408 2.899 20 30 CFEDHO CC#CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155972219 394326797 /nfs/dbraw/zinc/32/67/97/394326797.db2.gz APLRBAQTZOZBCX-IRXDYDNUSA-N 1 3 292.467 2.611 20 30 CFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000648450308 395148549 /nfs/dbraw/zinc/14/85/49/395148549.db2.gz AFUKVGWTSLIGSU-DLBZAZTESA-N 1 3 293.499 2.879 20 30 CFEDHO CN(C)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352841405 163249786 /nfs/dbraw/zinc/24/97/86/163249786.db2.gz QYJKPQPVWRBFMM-UHFFFAOYSA-N 1 3 285.313 2.618 20 30 CFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657831785 413983512 /nfs/dbraw/zinc/98/35/12/413983512.db2.gz BLYKUKJNHZKWRE-FUHWJXTLSA-N 1 3 293.499 2.737 20 30 CFEDHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(C#N)c1 ZINC000037229619 173050001 /nfs/dbraw/zinc/05/00/01/173050001.db2.gz RNDZHOGTVMRWPL-CQSZACIVSA-N 1 3 257.381 2.695 20 30 CFEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658140015 414232643 /nfs/dbraw/zinc/23/26/43/414232643.db2.gz RWIQZIYQRQILKK-MAUKXSAKSA-N 1 3 288.435 2.698 20 30 CFEDHO C=CCOc1ccc(CNC[C@H](C)C[NH3+])cc1Cl ZINC000414887159 263100187 /nfs/dbraw/zinc/10/01/87/263100187.db2.gz YXNKZQDQZKJCOG-LLVKDONJSA-N 1 3 268.788 2.589 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414932154 263137866 /nfs/dbraw/zinc/13/78/66/263137866.db2.gz VMEHPICCNRKJGY-HUUCEWRRSA-N 1 3 260.381 2.611 20 30 CFEDHO C=CCOc1ccccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002808 263203518 /nfs/dbraw/zinc/20/35/18/263203518.db2.gz DXHBPBZDLIPNDJ-DLBZAZTESA-N 1 3 286.419 2.729 20 30 CFEDHO N#CC1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298024727 263214120 /nfs/dbraw/zinc/21/41/20/263214120.db2.gz FBHSMFSKLROGLR-UHFFFAOYSA-N 1 3 298.434 2.970 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290609470 275387300 /nfs/dbraw/zinc/38/73/00/275387300.db2.gz WJIZBIHEUUDPPR-ZWKOTPCHSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290609470 275387303 /nfs/dbraw/zinc/38/73/03/275387303.db2.gz WJIZBIHEUUDPPR-ZWKOTPCHSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290609470 275387304 /nfs/dbraw/zinc/38/73/04/275387304.db2.gz WJIZBIHEUUDPPR-ZWKOTPCHSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290609470 275387307 /nfs/dbraw/zinc/38/73/07/275387307.db2.gz WJIZBIHEUUDPPR-ZWKOTPCHSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(CNC2CC[NH+](CC(=C)C)CC2)cc1 ZINC000290492189 275387866 /nfs/dbraw/zinc/38/78/66/275387866.db2.gz WAWCRUOILDEHCY-UHFFFAOYSA-N 1 3 268.404 2.798 20 30 CFEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000185842982 329330224 /nfs/dbraw/zinc/33/02/24/329330224.db2.gz OOBRQBQGIKCHGU-VVLHAWIVSA-N 1 3 293.455 2.548 20 30 CFEDHO CC(C)[C@@H](CN[C@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185773283 329331607 /nfs/dbraw/zinc/33/16/07/329331607.db2.gz QIAQYNGMIADRMC-HRCADAONSA-N 1 3 263.429 2.779 20 30 CFEDHO N#CCC1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423093843 330169469 /nfs/dbraw/zinc/16/94/69/330169469.db2.gz IPMWSDPVIRGDPY-RRFJBIMHSA-N 1 3 261.413 2.581 20 30 CFEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000335990758 335099367 /nfs/dbraw/zinc/09/93/67/335099367.db2.gz SXKJGKJJPBLELG-QZTJIDSGSA-N 1 3 283.419 2.669 20 30 CFEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000335990758 335099368 /nfs/dbraw/zinc/09/93/68/335099368.db2.gz SXKJGKJJPBLELG-QZTJIDSGSA-N 1 3 283.419 2.669 20 30 CFEDHO CC1(C)CC(N[C@H]2CCC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613481 333236786 /nfs/dbraw/zinc/23/67/86/333236786.db2.gz WFEFFEOHUSXPLI-OLZOCXBDSA-N 1 3 263.429 2.968 20 30 CFEDHO CC1(C)CC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC(C)(C)N1 ZINC000192613481 333236788 /nfs/dbraw/zinc/23/67/88/333236788.db2.gz WFEFFEOHUSXPLI-OLZOCXBDSA-N 1 3 263.429 2.968 20 30 CFEDHO CC(C)CC[NH+]1CCC(CNC[C@H](C#N)CCC#N)CC1 ZINC000576576493 335220854 /nfs/dbraw/zinc/22/08/54/335220854.db2.gz FBTROFZPSMFVAD-KRWDZBQOSA-N 1 3 290.455 2.778 20 30 CFEDHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1C#N ZINC000414818138 533888139 /nfs/dbraw/zinc/88/81/39/533888139.db2.gz UUXPSGKYCYPJHU-ZDUSSCGKSA-N 1 3 295.386 2.876 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000335020119 526691202 /nfs/dbraw/zinc/69/12/02/526691202.db2.gz ZAPRPLGGTNPAHU-QAPCUYQASA-N 1 3 283.419 2.915 20 30 CFEDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCCC#N ZINC000348309305 528182200 /nfs/dbraw/zinc/18/22/00/528182200.db2.gz FQWMZBKGWBGPJD-HUUCEWRRSA-N 1 3 251.418 2.780 20 30 CFEDHO C(#CC[N@@H+]1CCC[C@H]1C1CC1)CN1CCC[C@H]1C1CC1 ZINC000671240708 545559034 /nfs/dbraw/zinc/55/90/34/545559034.db2.gz LZZAXMDYQPDPQT-ROUUACIJSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CCC[C@H]1C1CC1)CN1CCC[C@H]1C1CC1 ZINC000671240708 545559039 /nfs/dbraw/zinc/55/90/39/545559039.db2.gz LZZAXMDYQPDPQT-ROUUACIJSA-N 1 3 272.436 2.739 20 30 CFEDHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000900714672 620704418 /nfs/dbraw/zinc/70/44/18/620704418.db2.gz XTKDQBCGLDSFEQ-UHFFFAOYSA-N 1 3 289.423 2.503 20 30 CFEDHO C#CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000893239993 618900320 /nfs/dbraw/zinc/90/03/20/618900320.db2.gz WNWAYWDGFLMUDB-FBVQUNGASA-N 1 3 268.404 2.966 20 30 CFEDHO CSc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000925774828 619093318 /nfs/dbraw/zinc/09/33/18/619093318.db2.gz XQJCWNMHZCCGOH-KBPBESRZSA-N 1 3 275.421 2.640 20 30 CFEDHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000925778227 619100053 /nfs/dbraw/zinc/10/00/53/619100053.db2.gz SBPVKAMIPFYZHT-CABCVRRESA-N 1 3 293.361 2.844 20 30 CFEDHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000925784256 619109528 /nfs/dbraw/zinc/10/95/28/619109528.db2.gz IIPHDLCKHRYEKY-RPVQJOFSSA-N 1 3 283.419 2.771 20 30 CFEDHO CC(C)CCN1CCC([NH2+]CCCCC#N)CC1 ZINC000924942835 619295344 /nfs/dbraw/zinc/29/53/44/619295344.db2.gz QEQWNMNOKLEMFN-UHFFFAOYSA-N 1 3 251.418 2.780 20 30 CFEDHO C#CCN1CCC(Nc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000895808379 619612385 /nfs/dbraw/zinc/61/23/85/619612385.db2.gz GYNBLOJQWDBUCG-UHFFFAOYSA-N 1 3 295.386 2.753 20 30 CFEDHO C=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000322666236 620389325 /nfs/dbraw/zinc/38/93/25/620389325.db2.gz CNZCJRPJAPXDGK-ALOPSCKCSA-N 1 3 256.393 2.915 20 30 CFEDHO CC[C@@H](NCCC[N@H+](C)CCOC)c1cccc(C#N)c1 ZINC000902745497 621163826 /nfs/dbraw/zinc/16/38/26/621163826.db2.gz PCUVWNCZANIVAO-QGZVFWFLSA-N 1 3 289.423 2.567 20 30 CFEDHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1cccc(C#N)c1 ZINC000902745497 621163829 /nfs/dbraw/zinc/16/38/29/621163829.db2.gz PCUVWNCZANIVAO-QGZVFWFLSA-N 1 3 289.423 2.567 20 30 CFEDHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797445 621179992 /nfs/dbraw/zinc/17/99/92/621179992.db2.gz WDIUZJLVBQPHQU-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000902797445 621179994 /nfs/dbraw/zinc/17/99/94/621179994.db2.gz WDIUZJLVBQPHQU-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC1([NH+]2CCCC2)CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000905533194 621785736 /nfs/dbraw/zinc/78/57/36/621785736.db2.gz DJEVKFGPYUGWSA-KLAILNCOSA-N 1 3 288.439 2.817 20 30 CFEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911754200 622547022 /nfs/dbraw/zinc/54/70/22/622547022.db2.gz RYRWXNBWEYYZRH-GOEBONIOSA-N 1 3 297.487 2.650 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000922164287 626227193 /nfs/dbraw/zinc/22/71/93/626227193.db2.gz IPEAWVTYZBQHEI-ALOPSCKCSA-N 1 3 283.419 2.890 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166838 627181566 /nfs/dbraw/zinc/18/15/66/627181566.db2.gz WCKYVWFTSCZQFA-YQQAZPJKSA-N 1 3 286.419 2.832 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166838 627181568 /nfs/dbraw/zinc/18/15/68/627181568.db2.gz WCKYVWFTSCZQFA-YQQAZPJKSA-N 1 3 286.419 2.832 20 30 CFEDHO C#CCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000766894944 627225347 /nfs/dbraw/zinc/22/53/47/627225347.db2.gz HNXLINPLRGYUIW-KRWDZBQOSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000766905352 627226076 /nfs/dbraw/zinc/22/60/76/627226076.db2.gz GZIOLTBPRCERNO-IAGOWNOFSA-N 1 3 262.441 2.986 20 30 CFEDHO C#CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000766905352 627226078 /nfs/dbraw/zinc/22/60/78/627226078.db2.gz GZIOLTBPRCERNO-IAGOWNOFSA-N 1 3 262.441 2.986 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CC2 ZINC000817948270 632749161 /nfs/dbraw/zinc/74/91/61/632749161.db2.gz IAFBGCUALIIGQR-LJQANCHMSA-N 1 3 291.398 2.837 20 30 CFEDHO C=CCC[C@@H](CC)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246887 642094637 /nfs/dbraw/zinc/09/46/37/642094637.db2.gz CWVXNZDTZHLVOV-OAHLLOKOSA-N 1 3 299.422 2.560 20 30 CFEDHO C#CCCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878157358 643766068 /nfs/dbraw/zinc/76/60/68/643766068.db2.gz ZNRAISMXCMOYPH-QGZVFWFLSA-N 1 3 262.441 2.844 20 30 CFEDHO C#CCCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157358 643766073 /nfs/dbraw/zinc/76/60/73/643766073.db2.gz ZNRAISMXCMOYPH-QGZVFWFLSA-N 1 3 262.441 2.844 20 30 CFEDHO C[C@@H]1CN(CCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880261658 644618345 /nfs/dbraw/zinc/61/83/45/644618345.db2.gz KXWKJEVRGHAWPK-OAHLLOKOSA-N 1 3 286.423 2.922 20 30 CFEDHO C=CCC[C@H]([NH2+]CCCN(C)C(C)C)[C@H]1CCCO1 ZINC000883169552 645636209 /nfs/dbraw/zinc/63/62/09/645636209.db2.gz YRPUCQFMHQHEPO-JKSUJKDBSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@H](NCCC[N@@H+](C)C(C)C)[C@H]1CCCO1 ZINC000883169552 645636215 /nfs/dbraw/zinc/63/62/15/645636215.db2.gz YRPUCQFMHQHEPO-JKSUJKDBSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@H](NCCC[N@H+](C)C(C)C)[C@H]1CCCO1 ZINC000883169552 645636218 /nfs/dbraw/zinc/63/62/18/645636218.db2.gz YRPUCQFMHQHEPO-JKSUJKDBSA-N 1 3 268.445 2.820 20 30 CFEDHO C[C@H]([NH3+])[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000925656467 648265665 /nfs/dbraw/zinc/26/56/65/648265665.db2.gz WQWAGDNZRPXBBJ-PBMMVSLJSA-N 1 3 271.408 2.994 20 30 CFEDHO C=CC(C)(C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925683264 648278411 /nfs/dbraw/zinc/27/84/11/648278411.db2.gz NLISUSHJHXSELW-GJZGRUSLSA-N 1 3 250.430 2.957 20 30 CFEDHO C=CCCCC[C@@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789687 648324729 /nfs/dbraw/zinc/32/47/29/648324729.db2.gz BATITQJGQBQPKK-CVEARBPZSA-N 1 3 280.456 2.870 20 30 CFEDHO C=CCCCC[C@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789693 648324825 /nfs/dbraw/zinc/32/48/25/648324825.db2.gz BATITQJGQBQPKK-JKSUJKDBSA-N 1 3 280.456 2.870 20 30 CFEDHO CC(C)CC[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000926616510 648552466 /nfs/dbraw/zinc/55/24/66/648552466.db2.gz SCEZJSBWIMTTAG-GOEBONIOSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)CCN1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000926616510 648552472 /nfs/dbraw/zinc/55/24/72/648552472.db2.gz SCEZJSBWIMTTAG-GOEBONIOSA-N 1 3 263.429 2.779 20 30 CFEDHO C[N@@H+]1CC[C@@]2(CCN(CCCCC3(C#N)CCC3)C2)C1 ZINC000930554946 649271757 /nfs/dbraw/zinc/27/17/57/649271757.db2.gz KIDFDBLVKZPOCB-QGZVFWFLSA-N 1 3 275.440 2.878 20 30 CFEDHO C[N@H+]1CC[C@@]2(CCN(CCCCC3(C#N)CCC3)C2)C1 ZINC000930554946 649271760 /nfs/dbraw/zinc/27/17/60/649271760.db2.gz KIDFDBLVKZPOCB-QGZVFWFLSA-N 1 3 275.440 2.878 20 30 CFEDHO C=CCOc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000697907206 778521811 /nfs/dbraw/zinc/52/18/11/778521811.db2.gz BNMCCBATUXLYBY-CQSZACIVSA-N 1 3 262.397 2.681 20 30 CFEDHO C=CCN(CC=C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235840346 778575950 /nfs/dbraw/zinc/57/59/50/778575950.db2.gz LFDSEFMPISMYBL-UHFFFAOYSA-N 1 3 281.403 2.919 20 30 CFEDHO C[N@@H+]1CCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594921094 349508623 /nfs/dbraw/zinc/50/86/23/349508623.db2.gz BAKUWEATWXCZLA-MRXNPFEDSA-N 1 3 283.419 2.673 20 30 CFEDHO C[N@H+]1CCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594921094 349508627 /nfs/dbraw/zinc/50/86/27/349508627.db2.gz BAKUWEATWXCZLA-MRXNPFEDSA-N 1 3 283.419 2.673 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC000595509098 349645998 /nfs/dbraw/zinc/64/59/98/349645998.db2.gz PJIQNUFKSSYOLV-AEFFLSMTSA-N 1 3 283.419 2.933 20 30 CFEDHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639109 349685962 /nfs/dbraw/zinc/68/59/62/349685962.db2.gz HGGXOTQSMRJMNC-MRXNPFEDSA-N 1 3 271.408 2.867 20 30 CFEDHO CN(C)CCC[N@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000596425136 349899042 /nfs/dbraw/zinc/89/90/42/349899042.db2.gz MBMAIGYHTXTHAY-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO CN(C)CCC[N@@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000596425136 349899045 /nfs/dbraw/zinc/89/90/45/349899045.db2.gz MBMAIGYHTXTHAY-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596650211 349968719 /nfs/dbraw/zinc/96/87/19/349968719.db2.gz JLXHMENPJLGQOW-KURKYZTESA-N 1 3 283.419 2.611 20 30 CFEDHO C[NH+](C)CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000056524169 346610913 /nfs/dbraw/zinc/61/09/13/346610913.db2.gz LAFJSQTUOXZHRA-UHFFFAOYSA-N 1 3 271.408 2.722 20 30 CFEDHO CCN(CC)C(=[NH2+])NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000083052638 347448067 /nfs/dbraw/zinc/44/80/67/347448067.db2.gz VLEOTWXJBVOTPT-OAHLLOKOSA-N 1 3 290.455 2.554 20 30 CFEDHO CCN(CC)C(=[NH2+])NCC[C@H](C)N(C)Cc1ccccc1 ZINC000083052640 347448082 /nfs/dbraw/zinc/44/80/82/347448082.db2.gz VLEOTWXJBVOTPT-HNNXBMFYSA-N 1 3 290.455 2.554 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000165498547 348039765 /nfs/dbraw/zinc/03/97/65/348039765.db2.gz PTZQTMFJTMNWKS-QZTJIDSGSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000165498547 348039769 /nfs/dbraw/zinc/03/97/69/348039769.db2.gz PTZQTMFJTMNWKS-QZTJIDSGSA-N 1 3 283.419 2.783 20 30 CFEDHO C=CCCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091592199 539663616 /nfs/dbraw/zinc/66/36/16/539663616.db2.gz VAECROBESZSZSA-HNNXBMFYSA-N 1 3 259.397 2.948 20 30 CFEDHO CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000589344084 348828307 /nfs/dbraw/zinc/82/83/07/348828307.db2.gz UNEJEJWTKBTVFU-RBSFLKMASA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000589344084 348828309 /nfs/dbraw/zinc/82/83/09/348828309.db2.gz UNEJEJWTKBTVFU-RBSFLKMASA-N 1 3 251.418 2.779 20 30 CFEDHO N#Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000591573341 349031158 /nfs/dbraw/zinc/03/11/58/349031158.db2.gz NGCDSIBCAMPHOT-ZFWWWQNUSA-N 1 3 277.799 2.819 20 30 CFEDHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581400 349032546 /nfs/dbraw/zinc/03/25/46/349032546.db2.gz VHKXEOORPQKXQU-JLZZUVOBSA-N 1 3 269.392 2.523 20 30 CFEDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599070157 350369720 /nfs/dbraw/zinc/36/97/20/350369720.db2.gz LTJNHDJNFVFECB-GOEBONIOSA-N 1 3 271.408 2.941 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000602020183 350833934 /nfs/dbraw/zinc/83/39/34/350833934.db2.gz KDVHTHQODOIQAC-NPCAHTBFSA-N 1 3 263.429 2.827 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]Cc1ccccc1OCCN(C)C ZINC000602524207 350913717 /nfs/dbraw/zinc/91/37/17/350913717.db2.gz LCLLUQNLSBMXAN-OAHLLOKOSA-N 1 3 289.423 2.656 20 30 CFEDHO CC[NH+](CC)CCC[C@H](C)NCc1cccc(C#N)n1 ZINC000602584859 350935356 /nfs/dbraw/zinc/93/53/56/350935356.db2.gz BWEVNAMHRLGQBU-AWEZNQCLSA-N 1 3 274.412 2.553 20 30 CFEDHO C[C@@H](CCC#N)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000602439370 350882607 /nfs/dbraw/zinc/88/26/07/350882607.db2.gz ZRHPELHNTMVELA-HNNXBMFYSA-N 1 3 263.429 2.877 20 30 CFEDHO C=CC[C@H]1CC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000629548489 354843643 /nfs/dbraw/zinc/84/36/43/354843643.db2.gz HEPLJAFFGPOHMM-AWEZNQCLSA-N 1 3 256.393 2.730 20 30 CFEDHO C=CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000629548489 354843644 /nfs/dbraw/zinc/84/36/44/354843644.db2.gz HEPLJAFFGPOHMM-AWEZNQCLSA-N 1 3 256.393 2.730 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271885139 191389020 /nfs/dbraw/zinc/38/90/20/191389020.db2.gz QLWFFXGCZXEXMN-HNNXBMFYSA-N 1 3 284.403 2.611 20 30 CFEDHO C(#CC[N@@H+]1CC[C@H]2CCC[C@@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243431 540590481 /nfs/dbraw/zinc/59/04/81/540590481.db2.gz GQLBHLNBZJFZBG-MHORFTMASA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@H]2CCC[C@@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243431 540590484 /nfs/dbraw/zinc/59/04/84/540590484.db2.gz GQLBHLNBZJFZBG-MHORFTMASA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@H]2CCC[C@@H]21 ZINC000671243431 540590487 /nfs/dbraw/zinc/59/04/87/540590487.db2.gz GQLBHLNBZJFZBG-MHORFTMASA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@H]2CCC[C@@H]21 ZINC000671243431 540590490 /nfs/dbraw/zinc/59/04/90/540590490.db2.gz GQLBHLNBZJFZBG-MHORFTMASA-N 1 3 272.436 2.739 20 30 CFEDHO Cc1cc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)ccc1C#N ZINC000443994299 241104400 /nfs/dbraw/zinc/10/44/00/241104400.db2.gz NZRDWLMWQWVTIW-IRXDYDNUSA-N 1 3 271.408 2.829 20 30 CFEDHO CC(C)(C#N)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000087595579 374825716 /nfs/dbraw/zinc/82/57/16/374825716.db2.gz PIZOZAWCCOLNJS-UHFFFAOYSA-N 1 3 263.429 2.734 20 30 CFEDHO CCN(CC)Cc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000104158029 375770522 /nfs/dbraw/zinc/77/05/22/375770522.db2.gz RHLGSDKRZSDPRF-UHFFFAOYSA-N 1 3 290.455 2.508 20 30 CFEDHO N#CCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134900219 378060293 /nfs/dbraw/zinc/06/02/93/378060293.db2.gz XIPOWVCFFXAONL-HOCLYGCPSA-N 1 3 261.413 2.629 20 30 CFEDHO N#CCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134900219 378060298 /nfs/dbraw/zinc/06/02/98/378060298.db2.gz XIPOWVCFFXAONL-HOCLYGCPSA-N 1 3 261.413 2.629 20 30 CFEDHO CC(C)(CCC#N)C[NH2+]CCCN1CCCCC1 ZINC000135134538 378087795 /nfs/dbraw/zinc/08/77/95/378087795.db2.gz AASMNPVRSOAMOC-UHFFFAOYSA-N 1 3 251.418 2.782 20 30 CFEDHO N#CC1CCN(CCCCC[NH+]2CCC(C#N)CC2)CC1 ZINC000157676351 378658206 /nfs/dbraw/zinc/65/82/06/378658206.db2.gz MMQZPVDBEUSIHT-UHFFFAOYSA-N 1 3 288.439 2.628 20 30 CFEDHO N#Cc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000278553179 194039417 /nfs/dbraw/zinc/03/94/17/194039417.db2.gz ZMOAALIQDBBIDP-UHFFFAOYSA-N 1 3 287.382 2.661 20 30 CFEDHO C[NH+]1CCC2(CCCN2Cc2ccc(C#N)cc2)CC1 ZINC000334226323 378951305 /nfs/dbraw/zinc/95/13/05/378951305.db2.gz MWBFXHHQSOPNIM-UHFFFAOYSA-N 1 3 269.392 2.618 20 30 CFEDHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C#N)cc2)CC1 ZINC000334226323 378951309 /nfs/dbraw/zinc/95/13/09/378951309.db2.gz MWBFXHHQSOPNIM-UHFFFAOYSA-N 1 3 269.392 2.618 20 30 CFEDHO CN1CCC2(CCC[N@H+]2Cc2ccc(C#N)cc2)CC1 ZINC000334226323 378951314 /nfs/dbraw/zinc/95/13/14/378951314.db2.gz MWBFXHHQSOPNIM-UHFFFAOYSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)o1 ZINC000174272573 379856179 /nfs/dbraw/zinc/85/61/79/379856179.db2.gz SLXTUSRCXNHBFK-CQSZACIVSA-N 1 3 275.396 2.895 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)o1 ZINC000174272573 379856182 /nfs/dbraw/zinc/85/61/82/379856182.db2.gz SLXTUSRCXNHBFK-CQSZACIVSA-N 1 3 275.396 2.895 20 30 CFEDHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341714380 381187121 /nfs/dbraw/zinc/18/71/21/381187121.db2.gz SMKHQWUXNPLFSH-FSPWUOQZSA-N 1 3 283.419 2.865 20 30 CFEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341714380 381187122 /nfs/dbraw/zinc/18/71/22/381187122.db2.gz SMKHQWUXNPLFSH-FSPWUOQZSA-N 1 3 283.419 2.865 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)CC#N)[C@H](C)C1 ZINC000414166330 381565941 /nfs/dbraw/zinc/56/59/41/381565941.db2.gz NIMODUFEMVQVBQ-CVEARBPZSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@H](NCC(C)(C)CC#N)[C@H](C)C1 ZINC000414166330 381565949 /nfs/dbraw/zinc/56/59/49/381565949.db2.gz NIMODUFEMVQVBQ-CVEARBPZSA-N 1 3 295.471 2.653 20 30 CFEDHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000371506597 381647639 /nfs/dbraw/zinc/64/76/39/381647639.db2.gz SVJBSCGIDBHAMU-NXOAAHMSSA-N 1 3 293.455 2.548 20 30 CFEDHO C[NH+](C)Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349826869 381992966 /nfs/dbraw/zinc/99/29/66/381992966.db2.gz FIDNUABOUARXCY-CVEARBPZSA-N 1 3 257.381 2.530 20 30 CFEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000293238284 382043030 /nfs/dbraw/zinc/04/30/30/382043030.db2.gz BCSDUDHXSOGLGO-LSDHHAIUSA-N 1 3 274.408 2.547 20 30 CFEDHO C=CC1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420302457 382353895 /nfs/dbraw/zinc/35/38/95/382353895.db2.gz MGDSFLVJDMLSCZ-MRXNPFEDSA-N 1 3 274.408 2.636 20 30 CFEDHO C=C[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000358303474 382557699 /nfs/dbraw/zinc/55/76/99/382557699.db2.gz RBDZNFPNZZVITA-UONOGXRCSA-N 1 3 262.397 2.852 20 30 CFEDHO CC(C)N1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399272221 382638347 /nfs/dbraw/zinc/63/83/47/382638347.db2.gz UPFIMKHHPWEDAL-UHFFFAOYSA-N 1 3 271.408 2.715 20 30 CFEDHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506811 382720464 /nfs/dbraw/zinc/72/04/64/382720464.db2.gz ZACQAOCQFOWQPL-GJZGRUSLSA-N 1 3 299.418 2.724 20 30 CFEDHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506811 382720465 /nfs/dbraw/zinc/72/04/65/382720465.db2.gz ZACQAOCQFOWQPL-GJZGRUSLSA-N 1 3 299.418 2.724 20 30 CFEDHO CCC(CC)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC000442722168 382949684 /nfs/dbraw/zinc/94/96/84/382949684.db2.gz UWHFFCRCYBUDOU-YUELXQCFSA-N 1 3 251.418 2.635 20 30 CFEDHO N#C[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000442774687 382954103 /nfs/dbraw/zinc/95/41/03/382954103.db2.gz FELJLAIGSKTUTI-RDJZCZTQSA-N 1 3 275.440 2.923 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]2CCC[C@H]21 ZINC000421874453 382957006 /nfs/dbraw/zinc/95/70/06/382957006.db2.gz IJJRYDSYJKLVAR-SOUVJXGZSA-N 1 3 275.421 2.582 20 30 CFEDHO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422988433 382998542 /nfs/dbraw/zinc/99/85/42/382998542.db2.gz KLJPUEDCRBADQP-GDBMZVCRSA-N 1 3 289.448 2.508 20 30 CFEDHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423448412 383099960 /nfs/dbraw/zinc/09/99/60/383099960.db2.gz VCZVYICFWRWZQT-XQAQDONZSA-N 1 3 287.382 2.736 20 30 CFEDHO CN1CCC[C@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000247271169 383158297 /nfs/dbraw/zinc/15/82/97/383158297.db2.gz YBOOYAPTXKSVGM-GJZGRUSLSA-N 1 3 263.429 2.732 20 30 CFEDHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000247271169 383158300 /nfs/dbraw/zinc/15/83/00/383158300.db2.gz YBOOYAPTXKSVGM-GJZGRUSLSA-N 1 3 263.429 2.732 20 30 CFEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2ccncc2)CC1 ZINC000487288891 383478256 /nfs/dbraw/zinc/47/82/56/383478256.db2.gz OEGIGQNRLRRWDD-ONEGZZNKSA-N 1 3 271.408 2.725 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N1CCC(C[NH+](C)C)CC1 ZINC000488445677 383541416 /nfs/dbraw/zinc/54/14/16/383541416.db2.gz JGMHWKUWHUOSAF-AWEZNQCLSA-N 1 3 271.408 2.893 20 30 CFEDHO C#Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000289216386 197265872 /nfs/dbraw/zinc/26/58/72/197265872.db2.gz JATRUVHIDIUHTQ-UHFFFAOYSA-N 1 3 256.393 2.630 20 30 CFEDHO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000289066496 197226143 /nfs/dbraw/zinc/22/61/43/197226143.db2.gz ACSOUYDDTKPIOX-SJORKVTESA-N 1 3 256.393 2.630 20 30 CFEDHO C=CC[NH+]1CCC(Nc2ccncc2-c2cccnc2)CC1 ZINC000374012132 393479687 /nfs/dbraw/zinc/47/96/87/393479687.db2.gz TURPHUKLOJDLFY-UHFFFAOYSA-N 1 3 294.402 2.628 20 30 CFEDHO C[C@H]([NH2+]CCCCC#N)c1cccc(OCCN(C)C)c1 ZINC000178643510 393446500 /nfs/dbraw/zinc/44/65/00/393446500.db2.gz KXBGSJJODOSKSW-HNNXBMFYSA-N 1 3 289.423 2.971 20 30 CFEDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000037197234 393529301 /nfs/dbraw/zinc/52/93/01/393529301.db2.gz VKWPJOHTUCBZET-CYBMUJFWSA-N 1 3 259.397 2.797 20 30 CFEDHO CC[NH+](CC)CCOC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339009493 393810270 /nfs/dbraw/zinc/81/02/70/393810270.db2.gz KEFQTYXLDQHVLL-HOTGVXAUSA-N 1 3 293.455 2.501 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000154319523 394296607 /nfs/dbraw/zinc/29/66/07/394296607.db2.gz XBXAMWVBRSKKGI-HEHGZKQESA-N 1 3 257.381 2.692 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000154319523 394296610 /nfs/dbraw/zinc/29/66/10/394296610.db2.gz XBXAMWVBRSKKGI-HEHGZKQESA-N 1 3 257.381 2.692 20 30 CFEDHO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371179959 394298614 /nfs/dbraw/zinc/29/86/14/394298614.db2.gz ZQBPJWWLXZZETE-IAGOWNOFSA-N 1 3 280.456 2.511 20 30 CFEDHO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371179959 394298616 /nfs/dbraw/zinc/29/86/16/394298616.db2.gz ZQBPJWWLXZZETE-IAGOWNOFSA-N 1 3 280.456 2.511 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000345118916 287130909 /nfs/dbraw/zinc/13/09/09/287130909.db2.gz YMMXZIOQXKOQSV-AWEZNQCLSA-N 1 3 271.408 2.893 20 30 CFEDHO C=CCCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323141 414506818 /nfs/dbraw/zinc/50/68/18/414506818.db2.gz LNIMGSHDSAZENV-MRXNPFEDSA-N 1 3 268.445 2.775 20 30 CFEDHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600363 226510073 /nfs/dbraw/zinc/51/00/73/226510073.db2.gz LCZXKJUWRFYPNR-ZTRSQXPZSA-N 1 3 297.446 2.978 20 30 CFEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309978736 262066042 /nfs/dbraw/zinc/06/60/42/262066042.db2.gz TUOKKYJLLZLQDR-WBVHZDCISA-N 1 3 299.418 2.565 20 30 CFEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309978736 262066043 /nfs/dbraw/zinc/06/60/43/262066043.db2.gz TUOKKYJLLZLQDR-WBVHZDCISA-N 1 3 299.418 2.565 20 30 CFEDHO CCN1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288720724 263105677 /nfs/dbraw/zinc/10/56/77/263105677.db2.gz LZUSJGOAJPUUNH-GFCCVEGCSA-N 1 3 296.365 2.566 20 30 CFEDHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124129 267194950 /nfs/dbraw/zinc/19/49/50/267194950.db2.gz YMNANXRNIYCBDG-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124129 267194953 /nfs/dbraw/zinc/19/49/53/267194953.db2.gz YMNANXRNIYCBDG-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO C=CCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000117877740 267224509 /nfs/dbraw/zinc/22/45/09/267224509.db2.gz JCGQIZLOMOGPKI-HOTGVXAUSA-N 1 3 280.456 2.774 20 30 CFEDHO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)[C@H](C)N ZINC000423455803 278381543 /nfs/dbraw/zinc/38/15/43/278381543.db2.gz CXLXDTGHUHJFRG-OZVIIMIRSA-N 1 3 257.381 2.651 20 30 CFEDHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423400846 288070487 /nfs/dbraw/zinc/07/04/87/288070487.db2.gz QKSPBLCOPKDPKE-VBNZEHGJSA-N 1 3 257.381 2.597 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099778 330170092 /nfs/dbraw/zinc/17/00/92/330170092.db2.gz UHBLZHQWXMCWIZ-ZCPGHIKRSA-N 1 3 272.392 2.702 20 30 CFEDHO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000423213238 330178498 /nfs/dbraw/zinc/17/84/98/330178498.db2.gz NBTDQQCJMWYJHC-IVMQYODDSA-N 1 3 297.446 2.980 20 30 CFEDHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423296572 330188670 /nfs/dbraw/zinc/18/86/70/330188670.db2.gz ZLFUYYSAOOPWAT-JGGQBBKZSA-N 1 3 257.381 2.878 20 30 CFEDHO C=CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424378750 330349124 /nfs/dbraw/zinc/34/91/24/330349124.db2.gz NPNLFZVXEJAQQT-HZPDHXFCSA-N 1 3 260.381 2.611 20 30 CFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343992065 527140129 /nfs/dbraw/zinc/14/01/29/527140129.db2.gz RBSZMLHZBSYZCP-LSDHHAIUSA-N 1 3 291.439 2.712 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(C)(C)C#N)[C@H](C)C1 ZINC000347198373 528663885 /nfs/dbraw/zinc/66/38/85/528663885.db2.gz LKSNCBLPMSJOLS-HZPDHXFCSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(C)(C)C#N)[C@H](C)C1 ZINC000347198373 528663889 /nfs/dbraw/zinc/66/38/89/528663889.db2.gz LKSNCBLPMSJOLS-HZPDHXFCSA-N 1 3 295.471 2.653 20 30 CFEDHO CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925670940 618442089 /nfs/dbraw/zinc/44/20/89/618442089.db2.gz AYYYLBIIWRTKSB-RDBSUJKOSA-N 1 3 263.429 2.683 20 30 CFEDHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000925778231 619099984 /nfs/dbraw/zinc/09/99/84/619099984.db2.gz SBPVKAMIPFYZHT-HUUCEWRRSA-N 1 3 293.361 2.844 20 30 CFEDHO CCC1([NH+]2CCC2)CCN(C[C@H](C)CCC#N)CC1 ZINC000895821611 619614978 /nfs/dbraw/zinc/61/49/78/619614978.db2.gz FPMABLYVQHZYFV-OAHLLOKOSA-N 1 3 263.429 2.877 20 30 CFEDHO CCC1(N2CCC2)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000895821611 619614979 /nfs/dbraw/zinc/61/49/79/619614979.db2.gz FPMABLYVQHZYFV-OAHLLOKOSA-N 1 3 263.429 2.877 20 30 CFEDHO CCCCCCCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902458189 621094910 /nfs/dbraw/zinc/09/49/10/621094910.db2.gz USPSBAOPXUULJI-LVYZTWJOSA-N 1 3 282.472 2.971 20 30 CFEDHO C=CCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903117096 621260341 /nfs/dbraw/zinc/26/03/41/621260341.db2.gz PMDKEUIJLOTEKK-LQDVMPOASA-N 1 3 266.454 2.653 20 30 CFEDHO C=CCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117096 621260342 /nfs/dbraw/zinc/26/03/42/621260342.db2.gz PMDKEUIJLOTEKK-LQDVMPOASA-N 1 3 266.454 2.653 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911754201 622547310 /nfs/dbraw/zinc/54/73/10/622547310.db2.gz RYRWXNBWEYYZRH-HOCLYGCPSA-N 1 3 297.487 2.650 20 30 CFEDHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652752 623044464 /nfs/dbraw/zinc/04/44/64/623044464.db2.gz FJMUWJRUXQCEHG-YCPHGPKFSA-N 1 3 287.407 2.722 20 30 CFEDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652752 623044471 /nfs/dbraw/zinc/04/44/71/623044471.db2.gz FJMUWJRUXQCEHG-YCPHGPKFSA-N 1 3 287.407 2.722 20 30 CFEDHO C#CC[C@@H]1CCCN(CCC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809465 624549109 /nfs/dbraw/zinc/54/91/09/624549109.db2.gz BLANQOIHXFYIHJ-RTBURBONSA-N 1 3 286.463 2.847 20 30 CFEDHO C#CC[C@@H]1CCCN(CCC[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809465 624549111 /nfs/dbraw/zinc/54/91/11/624549111.db2.gz BLANQOIHXFYIHJ-RTBURBONSA-N 1 3 286.463 2.847 20 30 CFEDHO C=CCON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000835016712 625962356 /nfs/dbraw/zinc/96/23/56/625962356.db2.gz YTWZIHXIJYYUAC-UHFFFAOYSA-N 1 3 287.407 2.754 20 30 CFEDHO CCN1CCC[C@@H](C[NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921625358 626001352 /nfs/dbraw/zinc/00/13/52/626001352.db2.gz SIELNPJGHRMHTJ-INIZCTEOSA-N 1 3 285.435 2.997 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000796693870 629951191 /nfs/dbraw/zinc/95/11/91/629951191.db2.gz IAXFQGLUAQMIFJ-IKGGRYGDSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000796693870 629951194 /nfs/dbraw/zinc/95/11/94/629951194.db2.gz IAXFQGLUAQMIFJ-IKGGRYGDSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000796693870 629951196 /nfs/dbraw/zinc/95/11/96/629951196.db2.gz IAXFQGLUAQMIFJ-IKGGRYGDSA-N 1 3 269.392 2.521 20 30 CFEDHO C#C[C@H](CC)NCc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809686039 631262590 /nfs/dbraw/zinc/26/25/90/631262590.db2.gz JAWFHEWIVNAZNC-GOSISDBHSA-N 1 3 299.462 2.720 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000817919692 632734771 /nfs/dbraw/zinc/73/47/71/632734771.db2.gz UDNGCGNBDSTVOU-VNHYZAJKSA-N 1 3 275.396 2.583 20 30 CFEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000817971250 632770647 /nfs/dbraw/zinc/77/06/47/632770647.db2.gz LHZVBFSGYFJOKX-RYUDHWBXSA-N 1 3 268.788 2.816 20 30 CFEDHO CC1(C)CC[C@H](CNC2CCC(C)(C#N)CC2)[NH2+]C1 ZINC000873234467 642088275 /nfs/dbraw/zinc/08/82/75/642088275.db2.gz FLTIGBRZLNISHU-NPCAHTBFSA-N 1 3 263.429 2.827 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@H]1CCCCN(C)C1 ZINC000877653591 643433592 /nfs/dbraw/zinc/43/35/92/643433592.db2.gz OCKBYQAZWBOBRI-MRXNPFEDSA-N 1 3 250.430 2.892 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3cc(C#N)cs3)CC2)CC1 ZINC000877683887 643452129 /nfs/dbraw/zinc/45/21/29/643452129.db2.gz ACAKGKQWFPNWDZ-UHFFFAOYSA-N 1 3 289.448 2.928 20 30 CFEDHO C#CCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878134043 643754420 /nfs/dbraw/zinc/75/44/20/643754420.db2.gz OLFOENQDUOVPHR-KRWDZBQOSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000878134043 643754424 /nfs/dbraw/zinc/75/44/24/643754424.db2.gz OLFOENQDUOVPHR-KRWDZBQOSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000878134043 643754427 /nfs/dbraw/zinc/75/44/27/643754427.db2.gz OLFOENQDUOVPHR-KRWDZBQOSA-N 1 3 262.441 2.988 20 30 CFEDHO C[C@H]1CN(CCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880261656 644618756 /nfs/dbraw/zinc/61/87/56/644618756.db2.gz KXWKJEVRGHAWPK-HNNXBMFYSA-N 1 3 286.423 2.922 20 30 CFEDHO CCCCCCNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000303710896 650999263 /nfs/dbraw/zinc/99/92/63/650999263.db2.gz OZLSMXTYJMNRPK-UHFFFAOYSA-N 1 3 270.465 2.590 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000303889461 651006296 /nfs/dbraw/zinc/00/62/96/651006296.db2.gz LXCMBLAQEURFOF-CABCVRRESA-N 1 3 288.439 2.985 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CCC)C1)[C@@H]1CCCO1 ZINC000883175462 645641671 /nfs/dbraw/zinc/64/16/71/645641671.db2.gz HXIXAVBCTHWPLW-ULQDDVLXSA-N 1 3 280.456 2.822 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CC(C)C)CCC1 ZINC000304995461 651040098 /nfs/dbraw/zinc/04/00/98/651040098.db2.gz FONKOUVCZOYRHE-HNNXBMFYSA-N 1 3 294.487 2.591 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000883389889 645788230 /nfs/dbraw/zinc/78/82/30/645788230.db2.gz BBEZUWFBRKNKKY-KBAYOESNSA-N 1 3 294.483 2.946 20 30 CFEDHO N#CCCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886587897 647055475 /nfs/dbraw/zinc/05/54/75/647055475.db2.gz HZJVKMVNXDRJLD-KSZLIROESA-N 1 3 283.419 2.933 20 30 CFEDHO N#CCCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886587897 647055479 /nfs/dbraw/zinc/05/54/79/647055479.db2.gz HZJVKMVNXDRJLD-KSZLIROESA-N 1 3 283.419 2.933 20 30 CFEDHO N#CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886587897 647055484 /nfs/dbraw/zinc/05/54/84/647055484.db2.gz HZJVKMVNXDRJLD-KSZLIROESA-N 1 3 283.419 2.933 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+](CC2CC2)CC1 ZINC000924713921 648033846 /nfs/dbraw/zinc/03/38/46/648033846.db2.gz UKVZQRXWFXWPSV-CYBMUJFWSA-N 1 3 263.429 2.779 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925681953 648278064 /nfs/dbraw/zinc/27/80/64/648278064.db2.gz RCMZTUTVSBTYBJ-QSPRXWTASA-N 1 3 275.440 2.827 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926612189 648551364 /nfs/dbraw/zinc/55/13/64/648551364.db2.gz ZIKDTTQYRFYUJC-RDJZCZTQSA-N 1 3 280.456 2.678 20 30 CFEDHO C=CCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001209160052 770007605 /nfs/dbraw/zinc/00/76/05/770007605.db2.gz AVXVWVUFYGVOEB-INIZCTEOSA-N 1 3 266.429 2.528 20 30 CFEDHO C[NH2+][C@@]12CC[C@@](NCCOc3ccccc3C#N)(C1)CCC2 ZINC001277596137 777403689 /nfs/dbraw/zinc/40/36/89/777403689.db2.gz RRNCDSVDSQVLRG-ZWKOTPCHSA-N 1 3 299.418 2.591 20 30 CFEDHO CN1CC=C(c2ccccc2C2(C#N)CC[NH2+]CC2)CC1 ZINC001241333395 780787558 /nfs/dbraw/zinc/78/75/58/780787558.db2.gz UTWSQVJRVZNORY-UHFFFAOYSA-N 1 3 281.403 2.550 20 30 CFEDHO C[NH+]1C[C@]2(C)CN(CCCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706253373 781164350 /nfs/dbraw/zinc/16/43/50/781164350.db2.gz IOUYZWAMEVGLEI-HZPDHXFCSA-N 1 3 263.429 2.590 20 30 CFEDHO C[NH+]1C[C@]2(C)CN(CCCCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706252044 781164362 /nfs/dbraw/zinc/16/43/62/781164362.db2.gz BDYYQNBRJHEIDI-IAGOWNOFSA-N 1 3 277.456 2.980 20 30 CFEDHO CC(C)(C)N1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055854 349567454 /nfs/dbraw/zinc/56/74/54/349567454.db2.gz KRVBRFPTNGVMEQ-UHFFFAOYSA-N 1 3 285.435 2.953 20 30 CFEDHO CC(C)(C)[NH+]1CCC(NCCc2ccc(C#N)cc2)CC1 ZINC000595055854 349567455 /nfs/dbraw/zinc/56/74/55/349567455.db2.gz KRVBRFPTNGVMEQ-UHFFFAOYSA-N 1 3 285.435 2.953 20 30 CFEDHO N#Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595901224 349765239 /nfs/dbraw/zinc/76/52/39/349765239.db2.gz SMBFJJBYJPKBQT-GOSISDBHSA-N 1 3 283.419 2.770 20 30 CFEDHO C=CCCSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000596652386 349969488 /nfs/dbraw/zinc/96/94/88/349969488.db2.gz TTWIQTGUYMBELI-ZNMIVQPWSA-N 1 3 268.470 2.806 20 30 CFEDHO N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1Cl ZINC000591573285 349030607 /nfs/dbraw/zinc/03/06/07/349030607.db2.gz GCVNUGRAUNXAAC-HUUCEWRRSA-N 1 3 277.799 2.961 20 30 CFEDHO C=C(C)C[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000592290788 349104892 /nfs/dbraw/zinc/10/48/92/349104892.db2.gz CCGXXYSZDARSNH-UHFFFAOYSA-N 1 3 284.407 2.693 20 30 CFEDHO C=CCCSCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000597184260 350046873 /nfs/dbraw/zinc/04/68/73/350046873.db2.gz IEUOHEZMKMSTOZ-UHFFFAOYSA-N 1 3 291.464 2.949 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000602019517 350833052 /nfs/dbraw/zinc/83/30/52/350833052.db2.gz FUMQIKBTEPXJDZ-ZACQAIPSSA-N 1 3 271.408 2.618 20 30 CFEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000602019517 350833055 /nfs/dbraw/zinc/83/30/55/350833055.db2.gz FUMQIKBTEPXJDZ-ZACQAIPSSA-N 1 3 271.408 2.618 20 30 CFEDHO C[C@@H](CCC#N)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000602478248 350898766 /nfs/dbraw/zinc/89/87/66/350898766.db2.gz OKLWNEQSWPKHTM-HOTGVXAUSA-N 1 3 263.429 2.877 20 30 CFEDHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)CCC#N)C1 ZINC000602488660 350904356 /nfs/dbraw/zinc/90/43/56/350904356.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)CCC#N)C1 ZINC000602488660 350904358 /nfs/dbraw/zinc/90/43/58/350904358.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602488660 350904360 /nfs/dbraw/zinc/90/43/60/350904360.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602488660 350904361 /nfs/dbraw/zinc/90/43/61/350904361.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CCCN1CCC(C)CC1 ZINC000602505603 350908944 /nfs/dbraw/zinc/90/89/44/350908944.db2.gz ZGYKQRVIBALKSY-HNNXBMFYSA-N 1 3 251.418 2.638 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000602609074 350944316 /nfs/dbraw/zinc/94/43/16/350944316.db2.gz QSUVGKOIZRPQKH-HUUCEWRRSA-N 1 3 251.418 2.780 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000602631687 350953244 /nfs/dbraw/zinc/95/32/44/350953244.db2.gz QQRPAPJZIBZMHL-CQSZACIVSA-N 1 3 251.418 2.638 20 30 CFEDHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392892 351680451 /nfs/dbraw/zinc/68/04/51/351680451.db2.gz UCLQVXWFEKZAHE-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392892 351680456 /nfs/dbraw/zinc/68/04/56/351680456.db2.gz UCLQVXWFEKZAHE-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000618806125 352884113 /nfs/dbraw/zinc/88/41/13/352884113.db2.gz OBOWHQQPFNJNDM-SRCQZFHVSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000618806125 352884118 /nfs/dbraw/zinc/88/41/18/352884118.db2.gz OBOWHQQPFNJNDM-SRCQZFHVSA-N 1 3 269.392 2.618 20 30 CFEDHO C=CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000629548511 354843880 /nfs/dbraw/zinc/84/38/80/354843880.db2.gz HEPLJAFFGPOHMM-CQSZACIVSA-N 1 3 256.393 2.730 20 30 CFEDHO C=CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000629548511 354843881 /nfs/dbraw/zinc/84/38/81/354843881.db2.gz HEPLJAFFGPOHMM-CQSZACIVSA-N 1 3 256.393 2.730 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000037644626 372681786 /nfs/dbraw/zinc/68/17/86/372681786.db2.gz OFHZBDCQSSEMFO-ZFWWWQNUSA-N 1 3 257.381 2.551 20 30 CFEDHO N#Cc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197547 373795049 /nfs/dbraw/zinc/79/50/49/373795049.db2.gz KTPCRGHWFURZGJ-KRWDZBQOSA-N 1 3 269.392 2.522 20 30 CFEDHO CCC[N@H+](C)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093753263 375304302 /nfs/dbraw/zinc/30/43/02/375304302.db2.gz RSZKLVBOXKUOBC-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCC[N@@H+](C)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093753263 375304308 /nfs/dbraw/zinc/30/43/08/375304308.db2.gz RSZKLVBOXKUOBC-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093753263 375304315 /nfs/dbraw/zinc/30/43/15/375304315.db2.gz RSZKLVBOXKUOBC-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093753263 375304319 /nfs/dbraw/zinc/30/43/19/375304319.db2.gz RSZKLVBOXKUOBC-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CC(C)N1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135166763 378094432 /nfs/dbraw/zinc/09/44/32/378094432.db2.gz LRTVWVBVQSDQMQ-CQSZACIVSA-N 1 3 251.418 2.636 20 30 CFEDHO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)CC(C)C ZINC000170910351 379192304 /nfs/dbraw/zinc/19/23/04/379192304.db2.gz VOZOJRRKOSAIBG-CQSZACIVSA-N 1 3 291.443 2.565 20 30 CFEDHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299634 379858784 /nfs/dbraw/zinc/85/87/84/379858784.db2.gz FOYLIRFYAGETDF-AWEZNQCLSA-N 1 3 251.418 2.638 20 30 CFEDHO C[C@@H](CCC#N)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000411430083 381026738 /nfs/dbraw/zinc/02/67/38/381026738.db2.gz SBVLFCZVTCTOHO-HNNXBMFYSA-N 1 3 286.423 2.922 20 30 CFEDHO C[C@@H](CCC#N)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000411430083 381026748 /nfs/dbraw/zinc/02/67/48/381026748.db2.gz SBVLFCZVTCTOHO-HNNXBMFYSA-N 1 3 286.423 2.922 20 30 CFEDHO C[NH+](C)Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349826870 381993776 /nfs/dbraw/zinc/99/37/76/381993776.db2.gz FIDNUABOUARXCY-HOTGVXAUSA-N 1 3 257.381 2.530 20 30 CFEDHO N#CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309683107 382490826 /nfs/dbraw/zinc/49/08/26/382490826.db2.gz BAERLSRXPCEXIJ-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309683107 382490833 /nfs/dbraw/zinc/49/08/33/382490833.db2.gz BAERLSRXPCEXIJ-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309683107 382490838 /nfs/dbraw/zinc/49/08/38/382490838.db2.gz BAERLSRXPCEXIJ-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO C[N@@H+]1CC[C@]2(CCN(CCCCC(C)(C)C#N)C2)C1 ZINC000366329270 382498847 /nfs/dbraw/zinc/49/88/47/382498847.db2.gz ZYNZHHSPGLGBSS-INIZCTEOSA-N 1 3 263.429 2.734 20 30 CFEDHO C[N@H+]1CC[C@]2(CCN(CCCCC(C)(C)C#N)C2)C1 ZINC000366329270 382498852 /nfs/dbraw/zinc/49/88/52/382498852.db2.gz ZYNZHHSPGLGBSS-INIZCTEOSA-N 1 3 263.429 2.734 20 30 CFEDHO C[NH+](C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442719016 382949154 /nfs/dbraw/zinc/94/91/54/382949154.db2.gz PNXXMOMDKXBIKE-FVQBIDKESA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407350 383086310 /nfs/dbraw/zinc/08/63/10/383086310.db2.gz ZYQSOEHVYYLPPK-ZLKJLUDKSA-N 1 3 261.344 2.618 20 30 CFEDHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407348 383086589 /nfs/dbraw/zinc/08/65/89/383086589.db2.gz ZYQSOEHVYYLPPK-GDLCADMTSA-N 1 3 261.344 2.618 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000248531796 383254699 /nfs/dbraw/zinc/25/46/99/383254699.db2.gz YDYCUYDWYOIPJF-USXIJHARSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000248531796 383254702 /nfs/dbraw/zinc/25/47/02/383254702.db2.gz YDYCUYDWYOIPJF-USXIJHARSA-N 1 3 280.456 2.556 20 30 CFEDHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OCC#N)cc1 ZINC000271839292 385393670 /nfs/dbraw/zinc/39/36/70/385393670.db2.gz GMEOZGWRTFWACY-CQSZACIVSA-N 1 3 285.391 2.501 20 30 CFEDHO CN(C)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000372990572 393460954 /nfs/dbraw/zinc/46/09/54/393460954.db2.gz PVCMJOTVRIZJOB-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO CN(C)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000372990572 393460957 /nfs/dbraw/zinc/46/09/57/393460957.db2.gz PVCMJOTVRIZJOB-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO C[NH+](C)[C@H]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000372990572 393460962 /nfs/dbraw/zinc/46/09/62/393460962.db2.gz PVCMJOTVRIZJOB-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000154319722 394296487 /nfs/dbraw/zinc/29/64/87/394296487.db2.gz XBXAMWVBRSKKGI-XEZPLFJOSA-N 1 3 257.381 2.692 20 30 CFEDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000154319722 394296489 /nfs/dbraw/zinc/29/64/89/394296489.db2.gz XBXAMWVBRSKKGI-XEZPLFJOSA-N 1 3 257.381 2.692 20 30 CFEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(CC)CC2)C1 ZINC000651676919 413562099 /nfs/dbraw/zinc/56/20/99/413562099.db2.gz RRMUGVZIUYPOGY-MSOLQXFVSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C1 ZINC000651676922 413559441 /nfs/dbraw/zinc/55/94/41/413559441.db2.gz RRMUGVZIUYPOGY-ZWKOTPCHSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000657872646 414015706 /nfs/dbraw/zinc/01/57/06/414015706.db2.gz OQURWTKIPGUEAD-ROUUACIJSA-N 1 3 293.499 2.739 20 30 CFEDHO CCC[N@H+](Cc1ccc(C#N)cc1)C1CCNCC1 ZINC000037538930 173259019 /nfs/dbraw/zinc/25/90/19/173259019.db2.gz XXJYIEGTBOGEBV-UHFFFAOYSA-N 1 3 257.381 2.522 20 30 CFEDHO CCC[N@@H+](Cc1ccc(C#N)cc1)C1CCNCC1 ZINC000037538930 173259021 /nfs/dbraw/zinc/25/90/21/173259021.db2.gz XXJYIEGTBOGEBV-UHFFFAOYSA-N 1 3 257.381 2.522 20 30 CFEDHO C=CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000658117720 414217351 /nfs/dbraw/zinc/21/73/51/414217351.db2.gz ZOPGEPGXXCKPAJ-CQSZACIVSA-N 1 3 262.397 2.854 20 30 CFEDHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000371506599 261269267 /nfs/dbraw/zinc/26/92/67/261269267.db2.gz SVJBSCGIDBHAMU-VQHPVUNQSA-N 1 3 293.455 2.548 20 30 CFEDHO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1CN(CC)CC ZINC000264144751 262880273 /nfs/dbraw/zinc/88/02/73/262880273.db2.gz XOSQARXYIKBDRI-CQSZACIVSA-N 1 3 290.455 2.731 20 30 CFEDHO CCN1CCCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288720729 263105686 /nfs/dbraw/zinc/10/56/86/263105686.db2.gz LZUSJGOAJPUUNH-LBPRGKRZSA-N 1 3 296.365 2.566 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297545814 263206240 /nfs/dbraw/zinc/20/62/40/263206240.db2.gz ZCNGOSHHLNIKKV-HOCLYGCPSA-N 1 3 284.407 2.722 20 30 CFEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341713903 288077001 /nfs/dbraw/zinc/07/70/01/288077001.db2.gz SMKHQWUXNPLFSH-BVGQSLNGSA-N 1 3 283.419 2.865 20 30 CFEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341713903 288077003 /nfs/dbraw/zinc/07/70/03/288077003.db2.gz SMKHQWUXNPLFSH-BVGQSLNGSA-N 1 3 283.419 2.865 20 30 CFEDHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379876 280973695 /nfs/dbraw/zinc/97/36/95/280973695.db2.gz YBXVCQWYVSBMLA-JYJNAYRXSA-N 1 3 257.381 2.869 20 30 CFEDHO C[C@H](NCC1CC[NH2+]CC1)c1ccc(C#N)cc1Cl ZINC000562956086 290085151 /nfs/dbraw/zinc/08/51/51/290085151.db2.gz CTHYMDXYTJTNSD-NSHDSACASA-N 1 3 277.799 2.862 20 30 CFEDHO CCC[NH+]1CCC(CNCc2cc(C#N)cs2)CC1 ZINC000177696545 323701409 /nfs/dbraw/zinc/70/14/09/323701409.db2.gz JMZLTJYXXSQWRY-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CN1CCCCC1 ZINC000185788479 329331706 /nfs/dbraw/zinc/33/17/06/329331706.db2.gz UHEBXRXEWBCSMS-PMPSAXMXSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H](CN[C@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788479 329331707 /nfs/dbraw/zinc/33/17/07/329331707.db2.gz UHEBXRXEWBCSMS-PMPSAXMXSA-N 1 3 263.429 2.780 20 30 CFEDHO N#Cc1ccccc1CSCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582072631 325174341 /nfs/dbraw/zinc/17/43/41/325174341.db2.gz BPEJMEQSJQJCAN-CVEARBPZSA-N 1 3 289.448 2.651 20 30 CFEDHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705521 325226897 /nfs/dbraw/zinc/22/68/97/325226897.db2.gz MZYLZKIGFWEYKQ-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705521 325226899 /nfs/dbraw/zinc/22/68/99/325226899.db2.gz MZYLZKIGFWEYKQ-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C#N)cc1 ZINC000582705521 325226901 /nfs/dbraw/zinc/22/69/01/325226901.db2.gz MZYLZKIGFWEYKQ-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO C#Cc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000377631175 329022183 /nfs/dbraw/zinc/02/21/83/329022183.db2.gz RARBKDTWGCAJFY-UHFFFAOYSA-N 1 3 268.404 2.774 20 30 CFEDHO CC#CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582730880 329132324 /nfs/dbraw/zinc/13/23/24/329132324.db2.gz NTVAUBDFNFORNY-HNNXBMFYSA-N 1 3 276.449 2.834 20 30 CFEDHO CC#CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582730880 329132325 /nfs/dbraw/zinc/13/23/25/329132325.db2.gz NTVAUBDFNFORNY-HNNXBMFYSA-N 1 3 276.449 2.834 20 30 CFEDHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185760201 329331173 /nfs/dbraw/zinc/33/11/73/329331173.db2.gz QBWIYNILTVIJAA-SJORKVTESA-N 1 3 271.408 2.920 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423097915 330169941 /nfs/dbraw/zinc/16/99/41/330169941.db2.gz BRCJLYRWCTVJBN-YOEHRIQHSA-N 1 3 274.408 2.729 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423151524 330172750 /nfs/dbraw/zinc/17/27/50/330172750.db2.gz CNQVQOWWSONZJU-FIDHJVLJSA-N 1 3 275.440 2.969 20 30 CFEDHO CC(C)(CC#N)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171628 330174559 /nfs/dbraw/zinc/17/45/59/330174559.db2.gz PGWPXQKDRSNFQX-MAUKXSAKSA-N 1 3 299.418 2.772 20 30 CFEDHO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000423229241 330180856 /nfs/dbraw/zinc/18/08/56/330180856.db2.gz ALAOHCZDYBSPOO-LXPRWKDFSA-N 1 3 283.419 2.732 20 30 CFEDHO CC[NH2+]CCNC1CCC(C#N)(c2ccccc2)CC1 ZINC000423246593 330182231 /nfs/dbraw/zinc/18/22/31/330182231.db2.gz OAYFCCRKVWTZDG-UHFFFAOYSA-N 1 3 271.408 2.590 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000424368360 330347977 /nfs/dbraw/zinc/34/79/77/330347977.db2.gz PSJKTODNABQFHM-IWCQGFGOSA-N 1 3 269.392 2.762 20 30 CFEDHO CC#CCCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381990513 336079903 /nfs/dbraw/zinc/07/99/03/336079903.db2.gz OYZOTJGHAZQAHK-MOPGFXCFSA-N 1 3 282.431 2.854 20 30 CFEDHO CC#CCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381990513 336079904 /nfs/dbraw/zinc/07/99/04/336079904.db2.gz OYZOTJGHAZQAHK-MOPGFXCFSA-N 1 3 282.431 2.854 20 30 CFEDHO C(#CC[N@@H+]1CCC[C@@H]1C1CC1)CN1CCC[C@@H]1C1CC1 ZINC000671240707 545559063 /nfs/dbraw/zinc/55/90/63/545559063.db2.gz LZZAXMDYQPDPQT-QZTJIDSGSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CCC[C@@H]1C1CC1)CN1CCC[C@@H]1C1CC1 ZINC000671240707 545559065 /nfs/dbraw/zinc/55/90/65/545559065.db2.gz LZZAXMDYQPDPQT-QZTJIDSGSA-N 1 3 272.436 2.739 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000895556272 619554392 /nfs/dbraw/zinc/55/43/92/619554392.db2.gz GPWRXXUBSRRSTK-HUUCEWRRSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000895556272 619554394 /nfs/dbraw/zinc/55/43/94/619554394.db2.gz GPWRXXUBSRRSTK-HUUCEWRRSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@H](CCC#N)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556272 619554396 /nfs/dbraw/zinc/55/43/96/619554396.db2.gz GPWRXXUBSRRSTK-HUUCEWRRSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@H]1CN(CC(C)(C)CCC#N)CCN1c1cc[nH+]cc1 ZINC000895557445 619554791 /nfs/dbraw/zinc/55/47/91/619554791.db2.gz QQAVHKYIIXBGFA-HNNXBMFYSA-N 1 3 286.423 2.922 20 30 CFEDHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902999673 621224992 /nfs/dbraw/zinc/22/49/92/621224992.db2.gz DIGPUJIENDSJMV-OAHLLOKOSA-N 1 3 286.423 2.870 20 30 CFEDHO C[C@@H]1C[C@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@@H]1CN ZINC000903459955 621381516 /nfs/dbraw/zinc/38/15/16/621381516.db2.gz RXUWFMDVPHXYDQ-HRMROMONSA-N 1 3 263.429 2.622 20 30 CFEDHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1CN ZINC000903459955 621381520 /nfs/dbraw/zinc/38/15/20/621381520.db2.gz RXUWFMDVPHXYDQ-HRMROMONSA-N 1 3 263.429 2.622 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652614 623044247 /nfs/dbraw/zinc/04/42/47/623044247.db2.gz FJMUWJRUXQCEHG-OFQRWUPVSA-N 1 3 287.407 2.722 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652614 623044251 /nfs/dbraw/zinc/04/42/51/623044251.db2.gz FJMUWJRUXQCEHG-OFQRWUPVSA-N 1 3 287.407 2.722 20 30 CFEDHO CCON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000915958006 624192078 /nfs/dbraw/zinc/19/20/78/624192078.db2.gz HOPCUDKAUKCXRY-UHFFFAOYSA-N 1 3 275.396 2.587 20 30 CFEDHO CC(C)(C)CC(C)(C)[NH+]1CCC(=Nn2cnnc2)CC1 ZINC000834913260 625920551 /nfs/dbraw/zinc/92/05/51/625920551.db2.gz WEOQHTYLYNJZHB-UHFFFAOYSA-N 1 3 277.416 2.793 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1cccc(C[N@H+](C)[C@H](C)C#C)c1 ZINC000769961292 625933762 /nfs/dbraw/zinc/93/37/62/625933762.db2.gz QKXWCMDAHANOPS-HZPDHXFCSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1cccc(C[N@@H+](C)[C@H](C)C#C)c1 ZINC000769961292 625933766 /nfs/dbraw/zinc/93/37/66/625933766.db2.gz QKXWCMDAHANOPS-HZPDHXFCSA-N 1 3 268.404 2.594 20 30 CFEDHO C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC000923491954 626476815 /nfs/dbraw/zinc/47/68/15/626476815.db2.gz KVWYJTFHWZOYRT-FZMZJTMJSA-N 1 3 277.799 2.628 20 30 CFEDHO C#CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000760843837 626777154 /nfs/dbraw/zinc/77/71/54/626777154.db2.gz QKWKZDZKKUELPF-LJQANCHMSA-N 1 3 282.431 2.998 20 30 CFEDHO C#CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000760843837 626777155 /nfs/dbraw/zinc/77/71/55/626777155.db2.gz QKWKZDZKKUELPF-LJQANCHMSA-N 1 3 282.431 2.998 20 30 CFEDHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OCC#N)cc1 ZINC000843344313 631933495 /nfs/dbraw/zinc/93/34/95/631933495.db2.gz VDPADGBTKDNGQS-CQSZACIVSA-N 1 3 295.386 2.898 20 30 CFEDHO C=C(Cl)COc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000817938643 632743196 /nfs/dbraw/zinc/74/31/96/632743196.db2.gz OUYRMGSYGMBMEO-LBPRGKRZSA-N 1 3 268.788 2.817 20 30 CFEDHO CCCCCCCCNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000849061230 633482229 /nfs/dbraw/zinc/48/22/29/633482229.db2.gz CRJROULSGJJSRY-OAHLLOKOSA-N 1 3 282.476 2.945 20 30 CFEDHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000854230523 635265854 /nfs/dbraw/zinc/26/58/54/635265854.db2.gz STRYUYUGFRAOGV-XJKSGUPXSA-N 1 3 275.396 2.613 20 30 CFEDHO C=CCN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597363 635834031 /nfs/dbraw/zinc/83/40/31/635834031.db2.gz HYDBELXBIBAQQH-QGZVFWFLSA-N 1 3 289.423 2.561 20 30 CFEDHO C=CCN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597363 635834035 /nfs/dbraw/zinc/83/40/35/635834035.db2.gz HYDBELXBIBAQQH-QGZVFWFLSA-N 1 3 289.423 2.561 20 30 CFEDHO C#CCCCCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000876783157 643007976 /nfs/dbraw/zinc/00/79/76/643007976.db2.gz VLEONPIBROAPHE-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000876783157 643007984 /nfs/dbraw/zinc/00/79/84/643007984.db2.gz VLEONPIBROAPHE-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000876783157 643007989 /nfs/dbraw/zinc/00/79/89/643007989.db2.gz VLEONPIBROAPHE-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000876783157 643007997 /nfs/dbraw/zinc/00/79/97/643007997.db2.gz VLEONPIBROAPHE-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000876811239 643020472 /nfs/dbraw/zinc/02/04/72/643020472.db2.gz JBQACVKVVAMCHQ-FGTMMUONSA-N 1 3 292.467 2.754 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000877073754 643136416 /nfs/dbraw/zinc/13/64/16/643136416.db2.gz RPMHCQBJZZIENL-OWCLPIDISA-N 1 3 293.455 2.548 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000877073754 643136419 /nfs/dbraw/zinc/13/64/19/643136419.db2.gz RPMHCQBJZZIENL-OWCLPIDISA-N 1 3 293.455 2.548 20 30 CFEDHO C#CCCCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000877477222 643294592 /nfs/dbraw/zinc/29/45/92/643294592.db2.gz AKJZRRYFVHINCH-INIZCTEOSA-N 1 3 250.430 2.986 20 30 CFEDHO C#CCCCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000877477222 643294595 /nfs/dbraw/zinc/29/45/95/643294595.db2.gz AKJZRRYFVHINCH-INIZCTEOSA-N 1 3 250.430 2.986 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000303904035 651008112 /nfs/dbraw/zinc/00/81/12/651008112.db2.gz YOTVWRGTYDTMGI-OAHLLOKOSA-N 1 3 282.476 2.591 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCC(C)(C)C ZINC000303983899 651011533 /nfs/dbraw/zinc/01/15/33/651011533.db2.gz RNSMXLNZIKDZRF-CQSZACIVSA-N 1 3 282.476 2.591 20 30 CFEDHO C#CC[N@@H+](C)CCCNCc1ccc(SC)s1 ZINC000883131041 645617738 /nfs/dbraw/zinc/61/77/38/645617738.db2.gz CXUGXGUOJIINJQ-UHFFFAOYSA-N 1 3 268.451 2.515 20 30 CFEDHO C#CC[N@H+](C)CCCNCc1ccc(SC)s1 ZINC000883131041 645617742 /nfs/dbraw/zinc/61/77/42/645617742.db2.gz CXUGXGUOJIINJQ-UHFFFAOYSA-N 1 3 268.451 2.515 20 30 CFEDHO C=CCSCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925591598 648230297 /nfs/dbraw/zinc/23/02/97/648230297.db2.gz RCDYNIOWZREOHK-CABCVRRESA-N 1 3 268.470 2.664 20 30 CFEDHO C=CCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001209204391 770014308 /nfs/dbraw/zinc/01/43/08/770014308.db2.gz DCAWAKDYUMYDSM-QGZVFWFLSA-N 1 3 280.456 2.918 20 30 CFEDHO C[C@H](CN[C@@H](C)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000695789264 776848115 /nfs/dbraw/zinc/84/81/15/776848115.db2.gz WPMHPTQNOIQGPA-KGLIPLIRSA-N 1 3 251.418 2.636 20 30 CFEDHO CCCCCCC[NH2+]CCNC(=O)[C@H]1CCCN1C(C)C ZINC001127082095 778737374 /nfs/dbraw/zinc/73/73/74/778737374.db2.gz KYSXEOVTRFICGI-MRXNPFEDSA-N 1 3 297.487 2.535 20 30 CFEDHO CCc1cc(C[NH+]2CCC3(CN(C)C3)CC2)ccc1C#N ZINC001238770160 779388386 /nfs/dbraw/zinc/38/83/86/779388386.db2.gz YOYNITJZWJRSNQ-UHFFFAOYSA-N 1 3 283.419 2.648 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095393 349793872 /nfs/dbraw/zinc/79/38/72/349793872.db2.gz PZITXJMYVAOTPA-IKGGRYGDSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596095393 349793879 /nfs/dbraw/zinc/79/38/79/349793879.db2.gz PZITXJMYVAOTPA-IKGGRYGDSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000596095393 349793882 /nfs/dbraw/zinc/79/38/82/349793882.db2.gz PZITXJMYVAOTPA-IKGGRYGDSA-N 1 3 275.440 2.780 20 30 CFEDHO N#CCCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045944259 346417027 /nfs/dbraw/zinc/41/70/27/346417027.db2.gz QEMLKGNVTOAHMJ-UHFFFAOYSA-N 1 3 263.429 2.878 20 30 CFEDHO C=CCCSCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000596652384 349968921 /nfs/dbraw/zinc/96/89/21/349968921.db2.gz TTWIQTGUYMBELI-RBSFLKMASA-N 1 3 268.470 2.806 20 30 CFEDHO C[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000404381770 348591237 /nfs/dbraw/zinc/59/12/37/348591237.db2.gz MRBYJACNOAXUPK-XJKSGUPXSA-N 1 3 257.381 2.508 20 30 CFEDHO C=CCCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091592200 539663466 /nfs/dbraw/zinc/66/34/66/539663466.db2.gz VAECROBESZSZSA-OAHLLOKOSA-N 1 3 259.397 2.948 20 30 CFEDHO CC(C)[C@H](N)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577520 349030864 /nfs/dbraw/zinc/03/08/64/349030864.db2.gz YJYQQFLQASYEJR-CVEARBPZSA-N 1 3 257.381 2.509 20 30 CFEDHO N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1Cl ZINC000591573286 349030931 /nfs/dbraw/zinc/03/09/31/349030931.db2.gz GCVNUGRAUNXAAC-LSDHHAIUSA-N 1 3 277.799 2.961 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000591578390 349031571 /nfs/dbraw/zinc/03/15/71/349031571.db2.gz YPAUMUOCTJDMTH-ZOBUZTSGSA-N 1 3 269.392 2.795 20 30 CFEDHO CC(C)[NH+]1CCC(N[C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602502673 350907376 /nfs/dbraw/zinc/90/73/76/350907376.db2.gz MVHSTZDGAJONDX-HNNXBMFYSA-N 1 3 293.455 2.548 20 30 CFEDHO CC(C)CN1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602509888 350909790 /nfs/dbraw/zinc/90/97/90/350909790.db2.gz HIKISENPVUKQBA-AWEZNQCLSA-N 1 3 251.418 2.636 20 30 CFEDHO CC[NH+](CC)CCC[C@@H](C)NCc1cccc(C#N)n1 ZINC000602584860 350935470 /nfs/dbraw/zinc/93/54/70/350935470.db2.gz BWEVNAMHRLGQBU-CQSZACIVSA-N 1 3 274.412 2.553 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000602715926 350997134 /nfs/dbraw/zinc/99/71/34/350997134.db2.gz QARKACLAYAJDIB-ZBFHGGJFSA-N 1 3 263.429 2.638 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000602609072 350944641 /nfs/dbraw/zinc/94/46/41/350944641.db2.gz QSUVGKOIZRPQKH-CABCVRRESA-N 1 3 251.418 2.780 20 30 CFEDHO CC(C)[N@H+](C)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602773349 351020376 /nfs/dbraw/zinc/02/03/76/351020376.db2.gz OSFHLGUPALLKBY-UHFFFAOYSA-N 1 3 263.429 2.732 20 30 CFEDHO CC(C)[N@@H+](C)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602773349 351020377 /nfs/dbraw/zinc/02/03/77/351020377.db2.gz OSFHLGUPALLKBY-UHFFFAOYSA-N 1 3 263.429 2.732 20 30 CFEDHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392894 351680418 /nfs/dbraw/zinc/68/04/18/351680418.db2.gz UCLQVXWFEKZAHE-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392894 351680421 /nfs/dbraw/zinc/68/04/21/351680421.db2.gz UCLQVXWFEKZAHE-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423098782 238199279 /nfs/dbraw/zinc/19/92/79/238199279.db2.gz LKVOTEFRFIYCAT-KZNAEPCWSA-N 1 3 283.419 2.611 20 30 CFEDHO C=CCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414908280 540830430 /nfs/dbraw/zinc/83/04/30/540830430.db2.gz BEXWPPKUZNDGTK-LSDHHAIUSA-N 1 3 260.381 2.611 20 30 CFEDHO C=CCCC[C@H](C)[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000574336254 335011471 /nfs/dbraw/zinc/01/14/71/335011471.db2.gz BEWCJDKKWPWEME-HNNXBMFYSA-N 1 3 268.445 2.556 20 30 CFEDHO CCCC[N@H+](C)CC1CCN(CCCC#N)CC1 ZINC000052209652 373441576 /nfs/dbraw/zinc/44/15/76/373441576.db2.gz ZRADFCSSIFERLB-UHFFFAOYSA-N 1 3 251.418 2.734 20 30 CFEDHO CCCC[N@@H+](C)CC1CCN(CCCC#N)CC1 ZINC000052209652 373441583 /nfs/dbraw/zinc/44/15/83/373441583.db2.gz ZRADFCSSIFERLB-UHFFFAOYSA-N 1 3 251.418 2.734 20 30 CFEDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCCC#N ZINC000348309303 381496797 /nfs/dbraw/zinc/49/67/97/381496797.db2.gz FQWMZBKGWBGPJD-CABCVRRESA-N 1 3 251.418 2.780 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)C(C)C ZINC000360036986 381743549 /nfs/dbraw/zinc/74/35/49/381743549.db2.gz ICEACAKMFIDFCI-KZNAEPCWSA-N 1 3 293.499 2.615 20 30 CFEDHO CN(C)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000373017200 381908681 /nfs/dbraw/zinc/90/86/81/381908681.db2.gz ZMJURNXOPWYGHA-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO CN(C)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000373017200 381908687 /nfs/dbraw/zinc/90/86/87/381908687.db2.gz ZMJURNXOPWYGHA-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO C[NH+](C)[C@H]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000373017200 381908695 /nfs/dbraw/zinc/90/86/95/381908695.db2.gz ZMJURNXOPWYGHA-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCC2)s1 ZINC000293043755 381964542 /nfs/dbraw/zinc/96/45/42/381964542.db2.gz QYSRIVMNZFKKIM-UHFFFAOYSA-N 1 3 277.437 2.975 20 30 CFEDHO C=CCN(CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420328559 382372875 /nfs/dbraw/zinc/37/28/75/382372875.db2.gz ZYFFVESAJZJSGO-ZDUSSCGKSA-N 1 3 250.411 2.736 20 30 CFEDHO N#CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309683109 382490566 /nfs/dbraw/zinc/49/05/66/382490566.db2.gz BAERLSRXPCEXIJ-KZNAEPCWSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309683109 382490570 /nfs/dbraw/zinc/49/05/70/382490570.db2.gz BAERLSRXPCEXIJ-KZNAEPCWSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309683109 382490574 /nfs/dbraw/zinc/49/05/74/382490574.db2.gz BAERLSRXPCEXIJ-KZNAEPCWSA-N 1 3 283.419 2.790 20 30 CFEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000366488642 382519675 /nfs/dbraw/zinc/51/96/75/382519675.db2.gz JKFVRDLDGJZYBO-YJBOKZPZSA-N 1 3 299.418 2.505 20 30 CFEDHO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000366488642 382519680 /nfs/dbraw/zinc/51/96/80/382519680.db2.gz JKFVRDLDGJZYBO-YJBOKZPZSA-N 1 3 299.418 2.505 20 30 CFEDHO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000358303477 382558040 /nfs/dbraw/zinc/55/80/40/382558040.db2.gz RBDZNFPNZZVITA-ZIAGYGMSSA-N 1 3 262.397 2.852 20 30 CFEDHO CCN1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000337880698 382872677 /nfs/dbraw/zinc/87/26/77/382872677.db2.gz RIEDOHARASOVHQ-CQSZACIVSA-N 1 3 251.418 2.638 20 30 CFEDHO C[C@@H]1CCC[C@](CN[C@@H]2CC[C@@H](C#N)C2)([NH+](C)C)C1 ZINC000442712278 382948649 /nfs/dbraw/zinc/94/86/49/382948649.db2.gz GEBIIENMMYEGBS-FPCVCCKLSA-N 1 3 263.429 2.779 20 30 CFEDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442764200 382953426 /nfs/dbraw/zinc/95/34/26/382953426.db2.gz CNNBIDMYUTXCSQ-PBHICJAKSA-N 1 3 271.408 2.920 20 30 CFEDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442764200 382953429 /nfs/dbraw/zinc/95/34/29/382953429.db2.gz CNNBIDMYUTXCSQ-PBHICJAKSA-N 1 3 271.408 2.920 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000442776637 382954362 /nfs/dbraw/zinc/95/43/62/382954362.db2.gz CCMCUADEHWNEAR-QYZOEREBSA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776637 382954364 /nfs/dbraw/zinc/95/43/64/382954364.db2.gz CCMCUADEHWNEAR-QYZOEREBSA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000442776637 382954367 /nfs/dbraw/zinc/95/43/67/382954367.db2.gz CCMCUADEHWNEAR-QYZOEREBSA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000442776635 382954407 /nfs/dbraw/zinc/95/44/07/382954407.db2.gz CCMCUADEHWNEAR-QRVBRYPASA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776635 382954412 /nfs/dbraw/zinc/95/44/12/382954412.db2.gz CCMCUADEHWNEAR-QRVBRYPASA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000442776635 382954417 /nfs/dbraw/zinc/95/44/17/382954417.db2.gz CCMCUADEHWNEAR-QRVBRYPASA-N 1 3 297.446 2.833 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]2CCC[C@@H]21 ZINC000421874450 382957051 /nfs/dbraw/zinc/95/70/51/382957051.db2.gz IJJRYDSYJKLVAR-ILXRZTDVSA-N 1 3 275.421 2.582 20 30 CFEDHO N#Cc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000237845831 382972234 /nfs/dbraw/zinc/97/22/34/382972234.db2.gz LEBUQEGWJGGRJO-UHFFFAOYSA-N 1 3 269.392 2.522 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911413 383307615 /nfs/dbraw/zinc/30/76/15/383307615.db2.gz VKOJDEXGOMKSAE-OAGGEKHMSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911413 383307621 /nfs/dbraw/zinc/30/76/21/383307621.db2.gz VKOJDEXGOMKSAE-OAGGEKHMSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911413 383307625 /nfs/dbraw/zinc/30/76/25/383307625.db2.gz VKOJDEXGOMKSAE-OAGGEKHMSA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](CCC#N)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268799 383439394 /nfs/dbraw/zinc/43/93/94/383439394.db2.gz NJWFGRWQRVPKFX-RBSFLKMASA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428268799 383439396 /nfs/dbraw/zinc/43/93/96/383439396.db2.gz NJWFGRWQRVPKFX-RBSFLKMASA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000428268799 383439397 /nfs/dbraw/zinc/43/93/97/383439397.db2.gz NJWFGRWQRVPKFX-RBSFLKMASA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268796 383439692 /nfs/dbraw/zinc/43/96/92/383439692.db2.gz NJWFGRWQRVPKFX-ILXRZTDVSA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428268796 383439695 /nfs/dbraw/zinc/43/96/95/383439695.db2.gz NJWFGRWQRVPKFX-ILXRZTDVSA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000428268796 383439696 /nfs/dbraw/zinc/43/96/96/383439696.db2.gz NJWFGRWQRVPKFX-ILXRZTDVSA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256843 533403301 /nfs/dbraw/zinc/40/33/01/533403301.db2.gz GHNNGBRMVZHLBW-CHWSQXEVSA-N 1 3 275.371 2.738 20 30 CFEDHO C=CCCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684110403 542766243 /nfs/dbraw/zinc/76/62/43/542766243.db2.gz LFEPFBLFJPSOGV-UHFFFAOYSA-N 1 3 262.397 2.683 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000373864316 393476223 /nfs/dbraw/zinc/47/62/23/393476223.db2.gz CHUFOQZIDYECBX-QAPCUYQASA-N 1 3 292.467 2.964 20 30 CFEDHO CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000344106863 393895109 /nfs/dbraw/zinc/89/51/09/393895109.db2.gz UNEJEJWTKBTVFU-SOUVJXGZSA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000344106863 393895114 /nfs/dbraw/zinc/89/51/14/393895114.db2.gz UNEJEJWTKBTVFU-SOUVJXGZSA-N 1 3 251.418 2.779 20 30 CFEDHO CN(C)C1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCCC1 ZINC000262271694 393953975 /nfs/dbraw/zinc/95/39/75/393953975.db2.gz IOWDPISRPVPUKP-UHFFFAOYSA-N 1 3 296.365 2.566 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442858438 394140264 /nfs/dbraw/zinc/14/02/64/394140264.db2.gz HWVRCTWNBJDMKZ-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442858438 394140267 /nfs/dbraw/zinc/14/02/67/394140267.db2.gz HWVRCTWNBJDMKZ-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO C#CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000366793411 394247618 /nfs/dbraw/zinc/24/76/18/394247618.db2.gz YDDAOLLZCRSOFI-DSLXNQLJSA-N 1 3 282.431 2.898 20 30 CFEDHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(C#N)cc1 ZINC000423400843 394279570 /nfs/dbraw/zinc/27/95/70/394279570.db2.gz QKSPBLCOPKDPKE-UHOFOFEASA-N 1 3 257.381 2.597 20 30 CFEDHO CC#CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155971982 394326592 /nfs/dbraw/zinc/32/65/92/394326592.db2.gz APLRBAQTZOZBCX-CALCHBBNSA-N 1 3 292.467 2.611 20 30 CFEDHO C=C(C)[C@H](CO)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245899 395460105 /nfs/dbraw/zinc/46/01/05/395460105.db2.gz ZHZTWNSNVSIOMF-KRWDZBQOSA-N 1 3 280.456 2.511 20 30 CFEDHO C=C(C)[C@@H](CO)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649353243 395476606 /nfs/dbraw/zinc/47/66/06/395476606.db2.gz PYNQFIDCBCHTJA-SJLPKXTDSA-N 1 3 294.483 2.900 20 30 CFEDHO C=C(C)[C@@H](CO)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000649353243 395476609 /nfs/dbraw/zinc/47/66/09/395476609.db2.gz PYNQFIDCBCHTJA-SJLPKXTDSA-N 1 3 294.483 2.900 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650708548 397861417 /nfs/dbraw/zinc/86/14/17/397861417.db2.gz CRKLLOKSEJJFPT-WMZOPIPTSA-N 1 3 286.419 2.812 20 30 CFEDHO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650708548 397861421 /nfs/dbraw/zinc/86/14/21/397861421.db2.gz CRKLLOKSEJJFPT-WMZOPIPTSA-N 1 3 286.419 2.812 20 30 CFEDHO C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000650708548 397861423 /nfs/dbraw/zinc/86/14/23/397861423.db2.gz CRKLLOKSEJJFPT-WMZOPIPTSA-N 1 3 286.419 2.812 20 30 CFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650708627 397861847 /nfs/dbraw/zinc/86/18/47/397861847.db2.gz HXWLDKRZSBHUTB-WMZOPIPTSA-N 1 3 286.419 2.812 20 30 CFEDHO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650708627 397861849 /nfs/dbraw/zinc/86/18/49/397861849.db2.gz HXWLDKRZSBHUTB-WMZOPIPTSA-N 1 3 286.419 2.812 20 30 CFEDHO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650708627 397861851 /nfs/dbraw/zinc/86/18/51/397861851.db2.gz HXWLDKRZSBHUTB-WMZOPIPTSA-N 1 3 286.419 2.812 20 30 CFEDHO C=CCOc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663497517 413240126 /nfs/dbraw/zinc/24/01/26/413240126.db2.gz BFYUGBGYXVXURV-MRXNPFEDSA-N 1 3 262.397 2.714 20 30 CFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224628 289376319 /nfs/dbraw/zinc/37/63/19/289376319.db2.gz SPAFYIWMZOMNQK-FYRZTWFESA-N 1 3 263.429 2.921 20 30 CFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000657872643 414016286 /nfs/dbraw/zinc/01/62/86/414016286.db2.gz OQURWTKIPGUEAD-QZTJIDSGSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[N@H+](C[C@@H]1CCC2(CNC2)O1)CC1CCCCC1 ZINC000662254087 414480255 /nfs/dbraw/zinc/48/02/55/414480255.db2.gz FDRLRTATKZXDJJ-INIZCTEOSA-N 1 3 278.440 2.576 20 30 CFEDHO C=CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)CC1CCCCC1 ZINC000662254087 414480257 /nfs/dbraw/zinc/48/02/57/414480257.db2.gz FDRLRTATKZXDJJ-INIZCTEOSA-N 1 3 278.440 2.576 20 30 CFEDHO C[C@H](CCN(C)C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037630 260207024 /nfs/dbraw/zinc/20/70/24/260207024.db2.gz NSPGHWITDWVSKS-ODIFPOPNSA-N 1 3 271.408 2.540 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174879653 261201048 /nfs/dbraw/zinc/20/10/48/261201048.db2.gz ZIPQOJJRCNASPJ-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174879653 261201050 /nfs/dbraw/zinc/20/10/50/261201050.db2.gz ZIPQOJJRCNASPJ-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CC[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCCC1 ZINC000288787993 263106049 /nfs/dbraw/zinc/10/60/49/263106049.db2.gz XHJXHVSNCWJXGN-GFCCVEGCSA-N 1 3 296.365 2.566 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000341890996 263364415 /nfs/dbraw/zinc/36/44/15/263364415.db2.gz UOZZYFKOTRBBNE-RYRKJORJSA-N 1 3 294.483 2.804 20 30 CFEDHO C=CC[C@H](CO)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000341890996 263364416 /nfs/dbraw/zinc/36/44/16/263364416.db2.gz UOZZYFKOTRBBNE-RYRKJORJSA-N 1 3 294.483 2.804 20 30 CFEDHO C=CCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000117877737 267223820 /nfs/dbraw/zinc/22/38/20/267223820.db2.gz JCGQIZLOMOGPKI-IYBDPMFKSA-N 1 3 280.456 2.774 20 30 CFEDHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000089142288 290004873 /nfs/dbraw/zinc/00/48/73/290004873.db2.gz IHKNEWASHWKIOV-APHBMKBZSA-N 1 3 257.381 2.726 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377935889 329035342 /nfs/dbraw/zinc/03/53/42/329035342.db2.gz AWPSAGQJFBNFEP-BZUAXINKSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377935889 329035343 /nfs/dbraw/zinc/03/53/43/329035343.db2.gz AWPSAGQJFBNFEP-BZUAXINKSA-N 1 3 275.440 2.732 20 30 CFEDHO C=C(C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177497720 329184835 /nfs/dbraw/zinc/18/48/35/329184835.db2.gz ZTZADIPUYMOZHS-HZPDHXFCSA-N 1 3 280.456 2.774 20 30 CFEDHO C=CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177510324 329185308 /nfs/dbraw/zinc/18/53/08/329185308.db2.gz GXKJKLSCNBXVGJ-HZPDHXFCSA-N 1 3 280.456 2.774 20 30 CFEDHO C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CN1CCCCC1 ZINC000185788464 329331898 /nfs/dbraw/zinc/33/18/98/329331898.db2.gz UHEBXRXEWBCSMS-JYJNAYRXSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@@H](CN[C@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788464 329331899 /nfs/dbraw/zinc/33/18/99/329331899.db2.gz UHEBXRXEWBCSMS-JYJNAYRXSA-N 1 3 263.429 2.780 20 30 CFEDHO CCCC[NH+]1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185799371 329331970 /nfs/dbraw/zinc/33/19/70/329331970.db2.gz PJALTOSXLVZLFF-GDBMZVCRSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](C[NH2+]CC(C)(C)CCC#N)CN1CCCC1 ZINC000135152772 334117958 /nfs/dbraw/zinc/11/79/58/334117958.db2.gz LGMVVGOOAZSJEP-CQSZACIVSA-N 1 3 251.418 2.638 20 30 CFEDHO CC(C)CC[NH+]1CCC(CNC[C@@H](C#N)CCC#N)CC1 ZINC000576576494 335220836 /nfs/dbraw/zinc/22/08/36/335220836.db2.gz FBTROFZPSMFVAD-QGZVFWFLSA-N 1 3 290.455 2.778 20 30 CFEDHO C=CC(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000384915319 336134270 /nfs/dbraw/zinc/13/42/70/336134270.db2.gz FFHPXOVUDHYCAG-UHFFFAOYSA-N 1 3 259.397 2.852 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCC[NH2+]C1 ZINC000335020120 526690839 /nfs/dbraw/zinc/69/08/39/526690839.db2.gz ZAPRPLGGTNPAHU-YJBOKZPZSA-N 1 3 283.419 2.915 20 30 CFEDHO C=CCOc1ccccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000347221159 526930761 /nfs/dbraw/zinc/93/07/61/526930761.db2.gz UCRUXJDZWGDXSS-AWEZNQCLSA-N 1 3 274.408 2.811 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(CC#N)cc2)C1 ZINC000925706293 618960832 /nfs/dbraw/zinc/96/08/32/618960832.db2.gz NASQVTHOYRSSKE-JKSUJKDBSA-N 1 3 271.408 2.748 20 30 CFEDHO CSc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000925774831 619092783 /nfs/dbraw/zinc/09/27/83/619092783.db2.gz XQJCWNMHZCCGOH-UONOGXRCSA-N 1 3 275.421 2.640 20 30 CFEDHO CC[C@H]1CN(Cc2c(C)cc(C#N)cc2C)CC[C@@H]1[NH3+] ZINC000903449820 621386176 /nfs/dbraw/zinc/38/61/76/621386176.db2.gz HMVJBQBBYONKHM-RDJZCZTQSA-N 1 3 271.408 2.734 20 30 CFEDHO N#CC1(CCCC[NH2+][C@@H]2CCNC23CCC3)CCC1 ZINC000903769673 621438117 /nfs/dbraw/zinc/43/81/17/621438117.db2.gz LVYSUXQXTREEEI-CQSZACIVSA-N 1 3 261.413 2.725 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+](C2CCC2)CC1 ZINC000924843689 622612937 /nfs/dbraw/zinc/61/29/37/622612937.db2.gz LURWGSKZTOJPHT-CYBMUJFWSA-N 1 3 263.429 2.921 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929637831 623498684 /nfs/dbraw/zinc/49/86/84/623498684.db2.gz QCBZTGNZKPRRFI-OAHLLOKOSA-N 1 3 271.408 2.559 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929637831 623498686 /nfs/dbraw/zinc/49/86/86/623498686.db2.gz QCBZTGNZKPRRFI-OAHLLOKOSA-N 1 3 271.408 2.559 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000775179243 627998241 /nfs/dbraw/zinc/99/82/41/627998241.db2.gz MAFRQZRVEPPXLX-MRXNPFEDSA-N 1 3 286.419 2.615 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000796693872 629951379 /nfs/dbraw/zinc/95/13/79/629951379.db2.gz IAXFQGLUAQMIFJ-ULQDDVLXSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000796693872 629951380 /nfs/dbraw/zinc/95/13/80/629951380.db2.gz IAXFQGLUAQMIFJ-ULQDDVLXSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000796693872 629951383 /nfs/dbraw/zinc/95/13/83/629951383.db2.gz IAXFQGLUAQMIFJ-ULQDDVLXSA-N 1 3 269.392 2.521 20 30 CFEDHO C#C[C@H](C)N(C)Cc1cc(C[N@H+](C)[C@@H](C)C#C)cc(OC)c1 ZINC000814633614 632100409 /nfs/dbraw/zinc/10/04/09/632100409.db2.gz HLWOIIBKFQPAFA-HOTGVXAUSA-N 1 3 298.430 2.602 20 30 CFEDHO C#C[C@H](C)N(C)Cc1cc(C[N@@H+](C)[C@@H](C)C#C)cc(OC)c1 ZINC000814633614 632100410 /nfs/dbraw/zinc/10/04/10/632100410.db2.gz HLWOIIBKFQPAFA-HOTGVXAUSA-N 1 3 298.430 2.602 20 30 CFEDHO C#CCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000858172139 636147257 /nfs/dbraw/zinc/14/72/57/636147257.db2.gz KYEHXNJZDKIJHP-INIZCTEOSA-N 1 3 286.419 2.661 20 30 CFEDHO C#Cc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000858174627 636147568 /nfs/dbraw/zinc/14/75/68/636147568.db2.gz VHDIDRFMEQRBFN-INIZCTEOSA-N 1 3 256.393 2.630 20 30 CFEDHO CC(=NNc1ccnc(C)c1)c1cccc(C[NH+](C)C)c1 ZINC000863159414 637574428 /nfs/dbraw/zinc/57/44/28/637574428.db2.gz QCIIFEPWLXVONK-UHFFFAOYSA-N 1 3 282.391 2.710 20 30 CFEDHO C#CCCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000876811241 643019928 /nfs/dbraw/zinc/01/99/28/643019928.db2.gz JBQACVKVVAMCHQ-OKZBNKHCSA-N 1 3 292.467 2.754 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000877524647 643327822 /nfs/dbraw/zinc/32/78/22/643327822.db2.gz AFJIMJBTIQBAET-INIZCTEOSA-N 1 3 250.430 2.890 20 30 CFEDHO CN1CCC[C@H]1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432474 644268859 /nfs/dbraw/zinc/26/88/59/644268859.db2.gz AVIAJWPYHGKAGR-KRWDZBQOSA-N 1 3 271.408 2.517 20 30 CFEDHO CN1CCC[C@H]1CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432474 644268862 /nfs/dbraw/zinc/26/88/62/644268862.db2.gz AVIAJWPYHGKAGR-KRWDZBQOSA-N 1 3 271.408 2.517 20 30 CFEDHO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(C)(C)C#N)C1 ZINC000925524587 648198624 /nfs/dbraw/zinc/19/86/24/648198624.db2.gz VXFMHDOHGAFBSX-MGPQQGTHSA-N 1 3 251.418 2.633 20 30 CFEDHO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(C)(C)C#N)C1 ZINC000925524587 648198626 /nfs/dbraw/zinc/19/86/26/648198626.db2.gz VXFMHDOHGAFBSX-MGPQQGTHSA-N 1 3 251.418 2.633 20 30 CFEDHO CCN1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000926962931 648672713 /nfs/dbraw/zinc/67/27/13/648672713.db2.gz AKCRUMTYHQCPKV-PBHICJAKSA-N 1 3 271.408 2.687 20 30 CFEDHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000695789130 776013028 /nfs/dbraw/zinc/01/30/28/776013028.db2.gz VBKHLAICMDGISQ-UONOGXRCSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695789130 776013007 /nfs/dbraw/zinc/01/30/07/776013007.db2.gz VBKHLAICMDGISQ-UONOGXRCSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695789130 776013018 /nfs/dbraw/zinc/01/30/18/776013018.db2.gz VBKHLAICMDGISQ-UONOGXRCSA-N 1 3 251.418 2.635 20 30 CFEDHO C[C@@H](CN[C@@H](C)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000695789262 776013443 /nfs/dbraw/zinc/01/34/43/776013443.db2.gz WPMHPTQNOIQGPA-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001127082093 778737651 /nfs/dbraw/zinc/73/76/51/778737651.db2.gz KYSXEOVTRFICGI-INIZCTEOSA-N 1 3 297.487 2.535 20 30 CFEDHO N#Cc1ccc(C2(N[C@@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000594584720 349452171 /nfs/dbraw/zinc/45/21/71/349452171.db2.gz FJDZUGPMYMHGFV-JKSUJKDBSA-N 1 3 269.392 2.797 20 30 CFEDHO C=CCCSCCNC1CC[NH+](CCC)CC1 ZINC000595060577 349571217 /nfs/dbraw/zinc/57/12/17/349571217.db2.gz VUNGTVFOGWMBSG-UHFFFAOYSA-N 1 3 256.459 2.760 20 30 CFEDHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595346837 349607052 /nfs/dbraw/zinc/60/70/52/349607052.db2.gz MGYLJZRVSAFPIR-CRAIPNDOSA-N 1 3 285.435 2.905 20 30 CFEDHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595346837 349607054 /nfs/dbraw/zinc/60/70/54/349607054.db2.gz MGYLJZRVSAFPIR-CRAIPNDOSA-N 1 3 285.435 2.905 20 30 CFEDHO CCCN(CCc1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC000595884592 349760549 /nfs/dbraw/zinc/76/05/49/349760549.db2.gz HPMHXPUVSZGILL-UHFFFAOYSA-N 1 3 271.408 2.565 20 30 CFEDHO N#Cc1ccc(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000595895752 349764297 /nfs/dbraw/zinc/76/42/97/349764297.db2.gz UKONSEKYOHKBMT-QZTJIDSGSA-N 1 3 283.419 2.565 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC1(C)C ZINC000598982589 350354292 /nfs/dbraw/zinc/35/42/92/350354292.db2.gz KLWIHJWXPJPTFC-INIZCTEOSA-N 1 3 271.408 2.715 20 30 CFEDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599070160 350370143 /nfs/dbraw/zinc/37/01/43/350370143.db2.gz LTJNHDJNFVFECB-ZBFHGGJFSA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000600713628 350600004 /nfs/dbraw/zinc/60/00/04/350600004.db2.gz JYYVDODGZRIVBZ-FQXVJMBOSA-N 1 3 283.419 2.731 20 30 CFEDHO N#CC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000602714082 350995625 /nfs/dbraw/zinc/99/56/25/350995625.db2.gz FVXOIOYHOKGEJJ-ARWYELJZSA-N 1 3 275.440 2.780 20 30 CFEDHO CN1CC=C(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611439420 351689995 /nfs/dbraw/zinc/68/99/95/351689995.db2.gz KCIYRXOZOYSBHT-SFHVURJKSA-N 1 3 281.403 2.787 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152361948 188012418 /nfs/dbraw/zinc/01/24/18/188012418.db2.gz OTCROJUSXPGKOC-GOEBONIOSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152361948 188012419 /nfs/dbraw/zinc/01/24/19/188012419.db2.gz OTCROJUSXPGKOC-GOEBONIOSA-N 1 3 271.408 2.893 20 30 CFEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443959901 241097902 /nfs/dbraw/zinc/09/79/02/241097902.db2.gz FNAUDOXZYMLBFU-MRXNPFEDSA-N 1 3 271.408 2.688 20 30 CFEDHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000290456375 381434879 /nfs/dbraw/zinc/43/48/79/381434879.db2.gz MSIJNVLRPXCJGL-AWEZNQCLSA-N 1 3 289.448 2.783 20 30 CFEDHO CC(C)[N@H+](C)CC1CCN([C@@H](C)CCC#N)CC1 ZINC000574778907 335046961 /nfs/dbraw/zinc/04/69/61/335046961.db2.gz VHJQOZUQVANAFI-AWEZNQCLSA-N 1 3 251.418 2.731 20 30 CFEDHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)CCC#N)CC1 ZINC000574778907 335046962 /nfs/dbraw/zinc/04/69/62/335046962.db2.gz VHJQOZUQVANAFI-AWEZNQCLSA-N 1 3 251.418 2.731 20 30 CFEDHO N#CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309683110 382491450 /nfs/dbraw/zinc/49/14/50/382491450.db2.gz BAERLSRXPCEXIJ-OKZBNKHCSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309683110 382491456 /nfs/dbraw/zinc/49/14/56/382491456.db2.gz BAERLSRXPCEXIJ-OKZBNKHCSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309683110 382491459 /nfs/dbraw/zinc/49/14/59/382491459.db2.gz BAERLSRXPCEXIJ-OKZBNKHCSA-N 1 3 283.419 2.790 20 30 CFEDHO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000358304324 382557910 /nfs/dbraw/zinc/55/79/10/382557910.db2.gz RRHHFPXZRAVCQM-UONOGXRCSA-N 1 3 262.397 2.852 20 30 CFEDHO C[N@@H+]1CCCC[C@H]1CCN1CCC(CCC#N)CC1 ZINC000399433619 382638969 /nfs/dbraw/zinc/63/89/69/382638969.db2.gz ZRFIRBKLODZTSJ-INIZCTEOSA-N 1 3 263.429 2.877 20 30 CFEDHO C[N@H+]1CCCC[C@H]1CCN1CCC(CCC#N)CC1 ZINC000399433619 382638970 /nfs/dbraw/zinc/63/89/70/382638970.db2.gz ZRFIRBKLODZTSJ-INIZCTEOSA-N 1 3 263.429 2.877 20 30 CFEDHO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000442774681 382954115 /nfs/dbraw/zinc/95/41/15/382954115.db2.gz FELJLAIGSKTUTI-DOTOQJQBSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442774066 382954214 /nfs/dbraw/zinc/95/42/14/382954214.db2.gz YNYOOEMMPNPDII-RBSFLKMASA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442774066 382954216 /nfs/dbraw/zinc/95/42/16/382954216.db2.gz YNYOOEMMPNPDII-RBSFLKMASA-N 1 3 263.429 2.779 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000442776633 382954504 /nfs/dbraw/zinc/95/45/04/382954504.db2.gz CCMCUADEHWNEAR-GUDVDZBRSA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776633 382954505 /nfs/dbraw/zinc/95/45/05/382954505.db2.gz CCMCUADEHWNEAR-GUDVDZBRSA-N 1 3 297.446 2.833 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000442776633 382954511 /nfs/dbraw/zinc/95/45/11/382954511.db2.gz CCMCUADEHWNEAR-GUDVDZBRSA-N 1 3 297.446 2.833 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]2CCC[C@@H]21 ZINC000421874451 382956670 /nfs/dbraw/zinc/95/66/70/382956670.db2.gz IJJRYDSYJKLVAR-KKUMJFAQSA-N 1 3 275.421 2.582 20 30 CFEDHO C[C@@H]([NH3+])C[C@H](C)NCCSCc1ccccc1C#N ZINC000422986127 382998218 /nfs/dbraw/zinc/99/82/18/382998218.db2.gz GJPMXTGCZONXCI-OLZOCXBDSA-N 1 3 277.437 2.507 20 30 CFEDHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472344 383109587 /nfs/dbraw/zinc/10/95/87/383109587.db2.gz NENIGPYUWCEMFG-FPMFFAJLSA-N 1 3 275.371 2.865 20 30 CFEDHO C=CCCCC[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449079669 383164982 /nfs/dbraw/zinc/16/49/82/383164982.db2.gz ZUDXKDJWOKETQW-INIZCTEOSA-N 1 3 281.488 2.737 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938645 385405549 /nfs/dbraw/zinc/40/55/49/385405549.db2.gz ODUOAMWDGKHEMT-CHWSQXEVSA-N 1 3 275.371 2.690 20 30 CFEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCCC#N ZINC000273183462 385673753 /nfs/dbraw/zinc/67/37/53/385673753.db2.gz FKANEVLVFALTRS-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCCC#N ZINC000273183462 385673757 /nfs/dbraw/zinc/67/37/57/385673757.db2.gz FKANEVLVFALTRS-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO CC(C#N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338108593 393774626 /nfs/dbraw/zinc/77/46/26/393774626.db2.gz WHTMGCDGZRHPLO-INMHGKMJSA-N 1 3 299.418 2.563 20 30 CFEDHO CC(C#N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338108593 393774629 /nfs/dbraw/zinc/77/46/29/393774629.db2.gz WHTMGCDGZRHPLO-INMHGKMJSA-N 1 3 299.418 2.563 20 30 CFEDHO C[N@H+](CCCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092820973 393793251 /nfs/dbraw/zinc/79/32/51/393793251.db2.gz OUPPYVPDBJHBKD-UHFFFAOYSA-N 1 3 286.423 2.924 20 30 CFEDHO C[N@@H+](CCCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092820973 393793256 /nfs/dbraw/zinc/79/32/56/393793256.db2.gz OUPPYVPDBJHBKD-UHFFFAOYSA-N 1 3 286.423 2.924 20 30 CFEDHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339059620 393813996 /nfs/dbraw/zinc/81/39/96/393813996.db2.gz GHCPHIVLXMYWPH-WMZOPIPTSA-N 1 3 298.434 2.922 20 30 CFEDHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339059620 393814001 /nfs/dbraw/zinc/81/40/01/393814001.db2.gz GHCPHIVLXMYWPH-WMZOPIPTSA-N 1 3 298.434 2.922 20 30 CFEDHO N#Cc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1F ZINC000421324371 394188647 /nfs/dbraw/zinc/18/86/47/394188647.db2.gz JQIPPYOXXOHTDX-UHFFFAOYSA-N 1 3 287.382 2.804 20 30 CFEDHO C=CCOCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000348027802 397657704 /nfs/dbraw/zinc/65/77/04/397657704.db2.gz GKTKGPJQWWBEHT-HOTGVXAUSA-N 1 3 280.456 2.822 20 30 CFEDHO C[NH+](C)CC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000344848257 162133032 /nfs/dbraw/zinc/13/30/32/162133032.db2.gz PERKEMNUSSGFJR-UHFFFAOYSA-N 1 3 289.398 2.907 20 30 CFEDHO C=CC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661387821 413943841 /nfs/dbraw/zinc/94/38/41/413943841.db2.gz ZTTIRHFOMXAPMM-GOSISDBHSA-N 1 3 293.499 2.691 20 30 CFEDHO C=CC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661387821 413943853 /nfs/dbraw/zinc/94/38/53/413943853.db2.gz ZTTIRHFOMXAPMM-GOSISDBHSA-N 1 3 293.499 2.691 20 30 CFEDHO C=CCCC[C@@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325343 414506628 /nfs/dbraw/zinc/50/66/28/414506628.db2.gz MBUSQOMJZGBYKU-CVEARBPZSA-N 1 3 268.445 2.774 20 30 CFEDHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535002 175199154 /nfs/dbraw/zinc/19/91/54/175199154.db2.gz TZCCZCSSZDAOHU-DZGCQCFKSA-N 1 3 257.381 2.551 20 30 CFEDHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535002 175199155 /nfs/dbraw/zinc/19/91/55/175199155.db2.gz TZCCZCSSZDAOHU-DZGCQCFKSA-N 1 3 257.381 2.551 20 30 CFEDHO CC(C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000347126155 226036100 /nfs/dbraw/zinc/03/61/00/226036100.db2.gz CMHGKEKLLKGHIU-OAHLLOKOSA-N 1 3 299.418 2.517 20 30 CFEDHO CC(C#N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347126155 226036103 /nfs/dbraw/zinc/03/61/03/226036103.db2.gz CMHGKEKLLKGHIU-OAHLLOKOSA-N 1 3 299.418 2.517 20 30 CFEDHO CC(C#N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000347101199 226050494 /nfs/dbraw/zinc/05/04/94/226050494.db2.gz GWIKPWGFKBHFIB-CABCVRRESA-N 1 3 299.418 2.926 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000192700034 227266586 /nfs/dbraw/zinc/26/65/86/227266586.db2.gz XAXHKRCRWGEROP-GDBMZVCRSA-N 1 3 261.413 2.533 20 30 CFEDHO CCCN1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449095120 260211134 /nfs/dbraw/zinc/21/11/34/260211134.db2.gz WIXYNMDQTJPFRX-FHERZECASA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414932150 263137800 /nfs/dbraw/zinc/13/78/00/263137800.db2.gz VMEHPICCNRKJGY-GJZGRUSLSA-N 1 3 260.381 2.611 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000341891071 263363894 /nfs/dbraw/zinc/36/38/94/263363894.db2.gz UYWSYTFFVLCUHR-XYJFISCASA-N 1 3 294.483 2.804 20 30 CFEDHO CC(C#N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000357784883 266361589 /nfs/dbraw/zinc/36/15/89/266361589.db2.gz AFHCYQQHCYSDHH-OAHLLOKOSA-N 1 3 299.418 2.694 20 30 CFEDHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124131 267221661 /nfs/dbraw/zinc/22/16/61/267221661.db2.gz YMNANXRNIYCBDG-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124131 267221665 /nfs/dbraw/zinc/22/16/65/267221665.db2.gz YMNANXRNIYCBDG-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000353253279 274394762 /nfs/dbraw/zinc/39/47/62/274394762.db2.gz LBSPLLAHXONSSE-PVUWLOKVSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1C ZINC000353253279 274394763 /nfs/dbraw/zinc/39/47/63/274394763.db2.gz LBSPLLAHXONSSE-PVUWLOKVSA-N 1 3 269.392 2.618 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423281679 274926964 /nfs/dbraw/zinc/92/69/64/274926964.db2.gz UJGMUKAYVUFBGV-BHYGNILZSA-N 1 3 269.392 2.653 20 30 CFEDHO C[NH+]1CCC2(CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000367200046 277036352 /nfs/dbraw/zinc/03/63/52/277036352.db2.gz MRYDUIHTQLRCDO-UHFFFAOYSA-N 1 3 282.431 2.846 20 30 CFEDHO C[NH+](C)CC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185899577 329334748 /nfs/dbraw/zinc/33/47/48/329334748.db2.gz DOKYHCGAAQZHAU-LSDHHAIUSA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000568950660 327025224 /nfs/dbraw/zinc/02/52/24/327025224.db2.gz AVIHDHRFPDFAIY-ARFHVFGLSA-N 1 3 266.429 2.526 20 30 CFEDHO C#CCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177588634 329187802 /nfs/dbraw/zinc/18/78/02/329187802.db2.gz RIBPCSORVXVHHH-UHFFFAOYSA-N 1 3 299.462 2.720 20 30 CFEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821694 329330000 /nfs/dbraw/zinc/33/00/00/329330000.db2.gz VKOJDEXGOMKSAE-HRCADAONSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821694 329330001 /nfs/dbraw/zinc/33/00/01/329330001.db2.gz VKOJDEXGOMKSAE-HRCADAONSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821694 329330002 /nfs/dbraw/zinc/33/00/02/329330002.db2.gz VKOJDEXGOMKSAE-HRCADAONSA-N 1 3 263.429 2.779 20 30 CFEDHO C[NH+](C)CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000191957791 329422795 /nfs/dbraw/zinc/42/27/95/329422795.db2.gz YKZSKBMLVRZLQC-UHFFFAOYSA-N 1 3 270.420 2.702 20 30 CFEDHO C=CCN(CC=C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422825957 330156493 /nfs/dbraw/zinc/15/64/93/330156493.db2.gz BFGOGATYNYVSOE-UJJTZGENSA-N 1 3 291.483 2.558 20 30 CFEDHO C[C@H](CN)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423310291 330189463 /nfs/dbraw/zinc/18/94/63/330189463.db2.gz RRWUWHQUISXANJ-ODIFPOPNSA-N 1 3 271.408 2.575 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442712601 330780355 /nfs/dbraw/zinc/78/03/55/330780355.db2.gz UZJVALKBNYRANP-XJKSGUPXSA-N 1 3 257.381 2.530 20 30 CFEDHO C=CCCCC[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000453106037 331089673 /nfs/dbraw/zinc/08/96/73/331089673.db2.gz YHYHJWZYYIUYBG-QGZVFWFLSA-N 1 3 281.488 2.739 20 30 CFEDHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533686 618026891 /nfs/dbraw/zinc/02/68/91/618026891.db2.gz LMQAHHYKRSLIOP-GJZGRUSLSA-N 1 3 287.407 2.581 20 30 CFEDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533686 618026894 /nfs/dbraw/zinc/02/68/94/618026894.db2.gz LMQAHHYKRSLIOP-GJZGRUSLSA-N 1 3 287.407 2.581 20 30 CFEDHO COc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615050 618317127 /nfs/dbraw/zinc/31/71/27/618317127.db2.gz DTVDRLBQUHTLCX-GJZGRUSLSA-N 1 3 287.407 2.562 20 30 CFEDHO CC1(C)[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925655643 618410947 /nfs/dbraw/zinc/41/09/47/618410947.db2.gz SXCMLSDWGADPRZ-MTERUZRBSA-N 1 3 275.440 2.683 20 30 CFEDHO C#CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000893239994 618900294 /nfs/dbraw/zinc/90/02/94/618900294.db2.gz WNWAYWDGFLMUDB-HQSKLWIPSA-N 1 3 268.404 2.966 20 30 CFEDHO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841879 619175116 /nfs/dbraw/zinc/17/51/16/619175116.db2.gz UIZBQVWZCZWWDH-JKSUJKDBSA-N 1 3 271.408 2.862 20 30 CFEDHO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841876 619175197 /nfs/dbraw/zinc/17/51/97/619175197.db2.gz UIZBQVWZCZWWDH-CVEARBPZSA-N 1 3 271.408 2.862 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000303894996 619981725 /nfs/dbraw/zinc/98/17/25/619981725.db2.gz PHGWPIQGPHUWSH-LSDHHAIUSA-N 1 3 282.476 2.734 20 30 CFEDHO C=CC[NH+]1CCC(NCc2ccccc2NCC)CC1 ZINC000902213075 620994422 /nfs/dbraw/zinc/99/44/22/620994422.db2.gz MRBAKRUFCLVSKR-UHFFFAOYSA-N 1 3 273.424 2.858 20 30 CFEDHO CC[C@H]1CN(CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903746350 621431753 /nfs/dbraw/zinc/43/17/53/621431753.db2.gz GCEQEUMGIMFQSO-LSDHHAIUSA-N 1 3 263.429 2.910 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911725190 622541616 /nfs/dbraw/zinc/54/16/16/622541616.db2.gz JJQPWZQKIBHOEY-PMPSAXMXSA-N 1 3 297.487 2.569 20 30 CFEDHO C#CCCCN1CCC[C@H]([N@H+](C)CCCC#C)CC1 ZINC000766935862 627227879 /nfs/dbraw/zinc/22/78/79/627227879.db2.gz QWRYRPOCJNVGIM-KRWDZBQOSA-N 1 3 260.425 2.600 20 30 CFEDHO C#CCCCN1CCC[C@H]([N@@H+](C)CCCC#C)CC1 ZINC000766935862 627227881 /nfs/dbraw/zinc/22/78/81/627227881.db2.gz QWRYRPOCJNVGIM-KRWDZBQOSA-N 1 3 260.425 2.600 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000796693871 629951530 /nfs/dbraw/zinc/95/15/30/629951530.db2.gz IAXFQGLUAQMIFJ-IXDOHACOSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000796693871 629951535 /nfs/dbraw/zinc/95/15/35/629951535.db2.gz IAXFQGLUAQMIFJ-IXDOHACOSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000796693871 629951537 /nfs/dbraw/zinc/95/15/37/629951537.db2.gz IAXFQGLUAQMIFJ-IXDOHACOSA-N 1 3 269.392 2.521 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000796836683 629976466 /nfs/dbraw/zinc/97/64/66/629976466.db2.gz KKHCFTYJEUVPDQ-ZACQAIPSSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000796836683 629976468 /nfs/dbraw/zinc/97/64/68/629976468.db2.gz KKHCFTYJEUVPDQ-ZACQAIPSSA-N 1 3 299.418 2.529 20 30 CFEDHO CCCCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760472 634826979 /nfs/dbraw/zinc/82/69/79/634826979.db2.gz GHOMIPWXPVNTAQ-INIZCTEOSA-N 1 3 270.461 2.999 20 30 CFEDHO CCCON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000842558283 631052167 /nfs/dbraw/zinc/05/21/67/631052167.db2.gz WFRXIQCXKNGBJZ-UHFFFAOYSA-N 1 3 289.423 2.978 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970145 632768480 /nfs/dbraw/zinc/76/84/80/632768480.db2.gz MQHDHYGLKVQDTL-CWRNSKLLSA-N 1 3 272.392 2.619 20 30 CFEDHO N#CCC[C@H](C#N)CNC1CCC([NH+]2CCCCC2)CC1 ZINC000819142807 632983368 /nfs/dbraw/zinc/98/33/68/632983368.db2.gz RCHPIYHHRLFRAG-KLAILNCOSA-N 1 3 288.439 2.817 20 30 CFEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000873276539 642115199 /nfs/dbraw/zinc/11/51/99/642115199.db2.gz UVGRBQDVWGVPGH-ZMYBRWDISA-N 1 3 297.446 2.926 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCCO1 ZINC000883239088 645687112 /nfs/dbraw/zinc/68/71/12/645687112.db2.gz VWPDAMBKYHTUGR-YESZJQIVSA-N 1 3 280.456 2.822 20 30 CFEDHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCC(C)(C)C#N ZINC000887132547 647222421 /nfs/dbraw/zinc/22/24/21/647222421.db2.gz ICVCQVIYEZBEIM-OAHLLOKOSA-N 1 3 286.423 2.922 20 30 CFEDHO C[C@H]([NH3+])[C@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000925656199 648265200 /nfs/dbraw/zinc/26/52/00/648265200.db2.gz WQWAGDNZRPXBBJ-GIOUXUJVSA-N 1 3 271.408 2.994 20 30 CFEDHO COc1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668679 648270578 /nfs/dbraw/zinc/27/05/78/648270578.db2.gz JSXWSOOYYMWPKS-HUUCEWRRSA-N 1 3 287.407 2.562 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@@H](C)CC(C)(C)C#N ZINC000926645071 648560752 /nfs/dbraw/zinc/56/07/52/648560752.db2.gz NORHEGJCJFTZTC-AWEZNQCLSA-N 1 3 253.434 2.882 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@@H](C)CC(C)(C)C#N ZINC000926645071 648560754 /nfs/dbraw/zinc/56/07/54/648560754.db2.gz NORHEGJCJFTZTC-AWEZNQCLSA-N 1 3 253.434 2.882 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929779718 649120518 /nfs/dbraw/zinc/12/05/18/649120518.db2.gz NNKLEZCIWUELML-JCYILVPMSA-N 1 3 277.456 2.980 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929779718 649120524 /nfs/dbraw/zinc/12/05/24/649120524.db2.gz NNKLEZCIWUELML-JCYILVPMSA-N 1 3 277.456 2.980 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435960 649426713 /nfs/dbraw/zinc/42/67/13/649426713.db2.gz JNONKBUCERQZNH-RRQGHBQHSA-N 1 3 269.392 2.503 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435960 649426715 /nfs/dbraw/zinc/42/67/15/649426715.db2.gz JNONKBUCERQZNH-RRQGHBQHSA-N 1 3 269.392 2.503 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435977 649427015 /nfs/dbraw/zinc/42/70/15/649427015.db2.gz JNONKBUCERQZNH-XOKHGSTOSA-N 1 3 269.392 2.503 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435977 649427017 /nfs/dbraw/zinc/42/70/17/649427017.db2.gz JNONKBUCERQZNH-XOKHGSTOSA-N 1 3 269.392 2.503 20 30 CFEDHO CCc1cc(C#N)ccc1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206808008 769987964 /nfs/dbraw/zinc/98/79/64/769987964.db2.gz JJHRPZFNPNHCKI-HIFRSBDPSA-N 1 3 271.408 2.680 20 30 CFEDHO CCCCCCCCCN1CCO[C@@H](CC[NH3+])C1 ZINC001204748420 777477056 /nfs/dbraw/zinc/47/70/56/777477056.db2.gz LDMYMLJFQRQYJF-HNNXBMFYSA-N 1 3 256.434 2.787 20 30 CFEDHO N#Cc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736809 349484694 /nfs/dbraw/zinc/48/46/94/349484694.db2.gz VWGYJDAPSJCJNV-SFHVURJKSA-N 1 3 283.419 2.770 20 30 CFEDHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344440 349606610 /nfs/dbraw/zinc/60/66/10/349606610.db2.gz FICHUYMVGPZIIO-ZWKOTPCHSA-N 1 3 283.419 2.517 20 30 CFEDHO C[N@H+]1CCC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344440 349606612 /nfs/dbraw/zinc/60/66/12/349606612.db2.gz FICHUYMVGPZIIO-ZWKOTPCHSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344440 349606614 /nfs/dbraw/zinc/60/66/14/349606614.db2.gz FICHUYMVGPZIIO-ZWKOTPCHSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344440 349606618 /nfs/dbraw/zinc/60/66/18/349606618.db2.gz FICHUYMVGPZIIO-ZWKOTPCHSA-N 1 3 283.419 2.517 20 30 CFEDHO N#Cc1ccc(CCN(CCC[NH3+])Cc2ccccc2)cc1 ZINC000595895387 349764126 /nfs/dbraw/zinc/76/41/26/349764126.db2.gz LDHNLBQEHXSBLU-UHFFFAOYSA-N 1 3 293.414 2.952 20 30 CFEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596650210 349968519 /nfs/dbraw/zinc/96/85/19/349968519.db2.gz JLXHMENPJLGQOW-KSZLIROESA-N 1 3 283.419 2.611 20 30 CFEDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581399 349032561 /nfs/dbraw/zinc/03/25/61/349032561.db2.gz VHKXEOORPQKXQU-DQYPLSBCSA-N 1 3 269.392 2.523 20 30 CFEDHO CN1CCCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000598995460 350356752 /nfs/dbraw/zinc/35/67/52/350356752.db2.gz XWOXDUVWRZQEFL-AWEZNQCLSA-N 1 3 251.418 2.638 20 30 CFEDHO C[C@@H](CCC#N)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000602479187 350899772 /nfs/dbraw/zinc/89/97/72/350899772.db2.gz FVTAIPVPLITWLJ-HOCLYGCPSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000602479187 350899773 /nfs/dbraw/zinc/89/97/73/350899773.db2.gz FVTAIPVPLITWLJ-HOCLYGCPSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000602479187 350899775 /nfs/dbraw/zinc/89/97/75/350899775.db2.gz FVTAIPVPLITWLJ-HOCLYGCPSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000602479187 350899778 /nfs/dbraw/zinc/89/97/78/350899778.db2.gz FVTAIPVPLITWLJ-HOCLYGCPSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000611388860 351679693 /nfs/dbraw/zinc/67/96/93/351679693.db2.gz KUQVCMNTOPUJLX-XJKSGUPXSA-N 1 3 257.381 2.693 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000336253287 283057103 /nfs/dbraw/zinc/05/71/03/283057103.db2.gz AQACOLPNGBDMHN-HIFRSBDPSA-N 1 3 261.413 2.675 20 30 CFEDHO N#C[C@H]1CCC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000336253286 283065606 /nfs/dbraw/zinc/06/56/06/283065606.db2.gz AQACOLPNGBDMHN-DZGCQCFKSA-N 1 3 261.413 2.675 20 30 CFEDHO C(#CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243434 540590806 /nfs/dbraw/zinc/59/08/06/540590806.db2.gz GQLBHLNBZJFZBG-XSLAGTTESA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243434 540590810 /nfs/dbraw/zinc/59/08/10/540590810.db2.gz GQLBHLNBZJFZBG-XSLAGTTESA-N 1 3 272.436 2.739 20 30 CFEDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423114537 238208756 /nfs/dbraw/zinc/20/87/56/238208756.db2.gz ZNKRFFYOKGAUKO-ZDUSSCGKSA-N 1 3 294.402 2.614 20 30 CFEDHO Cc1cc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)ccc1C#N ZINC000443994009 241103963 /nfs/dbraw/zinc/10/39/63/241103963.db2.gz NZRDWLMWQWVTIW-DLBZAZTESA-N 1 3 271.408 2.829 20 30 CFEDHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000251425023 299369613 /nfs/dbraw/zinc/36/96/13/299369613.db2.gz IHKNEWASHWKIOV-VBNZEHGJSA-N 1 3 257.381 2.726 20 30 CFEDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(C#N)cc2F)C1 ZINC000459722391 245285938 /nfs/dbraw/zinc/28/59/38/245285938.db2.gz BFVWXDHKHPXOJL-ZDUSSCGKSA-N 1 3 275.371 2.519 20 30 CFEDHO C[N@H+]1CCC[C@@H](CCNCc2ccc(C#N)cc2F)C1 ZINC000459722391 245285946 /nfs/dbraw/zinc/28/59/46/245285946.db2.gz BFVWXDHKHPXOJL-ZDUSSCGKSA-N 1 3 275.371 2.519 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000037644625 372680720 /nfs/dbraw/zinc/68/07/20/372680720.db2.gz OFHZBDCQSSEMFO-DZGCQCFKSA-N 1 3 257.381 2.551 20 30 CFEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000264064716 383693090 /nfs/dbraw/zinc/69/30/90/383693090.db2.gz DQCSDVJWQBYQOR-UHFFFAOYSA-N 1 3 290.455 2.731 20 30 CFEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])NCC(C)C ZINC000104158026 375770678 /nfs/dbraw/zinc/77/06/78/375770678.db2.gz PJPUKACLHWSPAS-UHFFFAOYSA-N 1 3 290.455 2.589 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000163247579 378962131 /nfs/dbraw/zinc/96/21/31/378962131.db2.gz OAXOIYYCVAOGIU-HOTGVXAUSA-N 1 3 286.419 2.691 20 30 CFEDHO N#CC1(c2ccccc2)CCC([NH2+]C2CCNCC2)CC1 ZINC000335566407 379522009 /nfs/dbraw/zinc/52/20/09/379522009.db2.gz ACWNTAOYGZAFHT-UHFFFAOYSA-N 1 3 283.419 2.732 20 30 CFEDHO CC[NH+]1CCC(CCNCc2cc(C#N)cs2)CC1 ZINC000177706311 380370874 /nfs/dbraw/zinc/37/08/74/380370874.db2.gz ZZSFFGNEMJYHSC-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000336423230 380343868 /nfs/dbraw/zinc/34/38/68/380343868.db2.gz BUSUDWWJEKRUJE-DZGCQCFKSA-N 1 3 261.413 2.675 20 30 CFEDHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000371506596 381646742 /nfs/dbraw/zinc/64/67/42/381646742.db2.gz SVJBSCGIDBHAMU-HZMVEIRTSA-N 1 3 293.455 2.548 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000345822851 382316081 /nfs/dbraw/zinc/31/60/81/382316081.db2.gz YEIZHGJQHKQQDO-CABCVRRESA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000345822851 382316086 /nfs/dbraw/zinc/31/60/86/382316086.db2.gz YEIZHGJQHKQQDO-CABCVRRESA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000345819650 382316252 /nfs/dbraw/zinc/31/62/52/382316252.db2.gz SBZKBMIMPUDBPL-HUUCEWRRSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345819650 382316254 /nfs/dbraw/zinc/31/62/54/382316254.db2.gz SBZKBMIMPUDBPL-HUUCEWRRSA-N 1 3 299.418 2.837 20 30 CFEDHO C=CCCCN(C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420294936 382345522 /nfs/dbraw/zinc/34/55/22/382345522.db2.gz BOAYBRQVXCTISW-HNNXBMFYSA-N 1 3 262.397 2.636 20 30 CFEDHO C=C(CC)CN[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000346555182 382411560 /nfs/dbraw/zinc/41/15/60/382411560.db2.gz HAFQJDZFJCMQCX-HZPDHXFCSA-N 1 3 268.445 2.679 20 30 CFEDHO C=C(CC)CN[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000346555182 382411561 /nfs/dbraw/zinc/41/15/61/382411561.db2.gz HAFQJDZFJCMQCX-HZPDHXFCSA-N 1 3 268.445 2.679 20 30 CFEDHO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000358303473 382558253 /nfs/dbraw/zinc/55/82/53/382558253.db2.gz RBDZNFPNZZVITA-KGLIPLIRSA-N 1 3 262.397 2.852 20 30 CFEDHO C[NH+](C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442719017 382949201 /nfs/dbraw/zinc/94/92/01/382949201.db2.gz PNXXMOMDKXBIKE-NUEKZKHPSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442829835 382960103 /nfs/dbraw/zinc/96/01/03/382960103.db2.gz WIJQVUKPVOAYKV-XHSDSOJGSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442829835 382960106 /nfs/dbraw/zinc/96/01/06/382960106.db2.gz WIJQVUKPVOAYKV-XHSDSOJGSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442829835 382960112 /nfs/dbraw/zinc/96/01/12/382960112.db2.gz WIJQVUKPVOAYKV-XHSDSOJGSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442829832 382960297 /nfs/dbraw/zinc/96/02/97/382960297.db2.gz WIJQVUKPVOAYKV-ARFHVFGLSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442829832 382960298 /nfs/dbraw/zinc/96/02/98/382960298.db2.gz WIJQVUKPVOAYKV-ARFHVFGLSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442829832 382960299 /nfs/dbraw/zinc/96/02/99/382960299.db2.gz WIJQVUKPVOAYKV-ARFHVFGLSA-N 1 3 263.429 2.636 20 30 CFEDHO C=CCC[C@@H](CCC)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442865632 382961998 /nfs/dbraw/zinc/96/19/98/382961998.db2.gz FZMJKZCDFYSZEJ-MRXNPFEDSA-N 1 3 281.488 2.737 20 30 CFEDHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccc(C#N)cc1F ZINC000423033516 383022289 /nfs/dbraw/zinc/02/22/89/383022289.db2.gz ONGRSHRZGRWXFX-NWDGAFQWSA-N 1 3 263.360 2.865 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246972874 383127544 /nfs/dbraw/zinc/12/75/44/383127544.db2.gz OTCROJUSXPGKOC-HOCLYGCPSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246972874 383127547 /nfs/dbraw/zinc/12/75/47/383127547.db2.gz OTCROJUSXPGKOC-HOCLYGCPSA-N 1 3 271.408 2.893 20 30 CFEDHO N#CCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247009126 383132020 /nfs/dbraw/zinc/13/20/20/383132020.db2.gz XIPOWVCFFXAONL-GOEBONIOSA-N 1 3 261.413 2.629 20 30 CFEDHO N#CCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247009126 383132022 /nfs/dbraw/zinc/13/20/22/383132022.db2.gz XIPOWVCFFXAONL-GOEBONIOSA-N 1 3 261.413 2.629 20 30 CFEDHO N#Cc1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000567170341 383248001 /nfs/dbraw/zinc/24/80/01/383248001.db2.gz YILSGOYJCILPHC-UHFFFAOYSA-N 1 3 271.408 2.899 20 30 CFEDHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)CN1CCCCC1 ZINC000248899438 383305133 /nfs/dbraw/zinc/30/51/33/383305133.db2.gz UHEBXRXEWBCSMS-OAGGEKHMSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCCC1 ZINC000248899438 383305136 /nfs/dbraw/zinc/30/51/36/383305136.db2.gz UHEBXRXEWBCSMS-OAGGEKHMSA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449702304 383361550 /nfs/dbraw/zinc/36/15/50/383361550.db2.gz YLMABTYACBBHEB-JQHSSLGASA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449702304 383361554 /nfs/dbraw/zinc/36/15/54/383361554.db2.gz YLMABTYACBBHEB-JQHSSLGASA-N 1 3 294.483 2.946 20 30 CFEDHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000569662305 383524226 /nfs/dbraw/zinc/52/42/26/383524226.db2.gz MIAACEOCZGXAAC-FHERZECASA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N1CCC(C[NH+](C)C)CC1 ZINC000488445695 383541141 /nfs/dbraw/zinc/54/11/41/383541141.db2.gz JGMHWKUWHUOSAF-CQSZACIVSA-N 1 3 271.408 2.893 20 30 CFEDHO C=CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697792 383779508 /nfs/dbraw/zinc/77/95/08/383779508.db2.gz ZEMDNRSUJAUPBY-AWEZNQCLSA-N 1 3 262.422 2.878 20 30 CFEDHO C[C@@H]1C[C@@H](NCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000273148209 385671381 /nfs/dbraw/zinc/67/13/81/385671381.db2.gz GYOBVIXZNSEBQO-WBVHZDCISA-N 1 3 271.408 2.933 20 30 CFEDHO C[C@@H]1C[C@@H](NCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000273148209 385671384 /nfs/dbraw/zinc/67/13/84/385671384.db2.gz GYOBVIXZNSEBQO-WBVHZDCISA-N 1 3 271.408 2.933 20 30 CFEDHO C=C(C)[C@H](CO)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649353244 395476779 /nfs/dbraw/zinc/47/67/79/395476779.db2.gz PYNQFIDCBCHTJA-WMZOPIPTSA-N 1 3 294.483 2.900 20 30 CFEDHO C=C(C)[C@H](CO)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000649353244 395476781 /nfs/dbraw/zinc/47/67/81/395476781.db2.gz PYNQFIDCBCHTJA-WMZOPIPTSA-N 1 3 294.483 2.900 20 30 CFEDHO C=CCOCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657658708 413827687 /nfs/dbraw/zinc/82/76/87/413827687.db2.gz ASPWEGUWZUZCNN-UHFFFAOYSA-N 1 3 280.456 2.966 20 30 CFEDHO C=CCOCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000657658708 413827695 /nfs/dbraw/zinc/82/76/95/413827695.db2.gz ASPWEGUWZUZCNN-UHFFFAOYSA-N 1 3 280.456 2.966 20 30 CFEDHO C=CC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661387828 413944878 /nfs/dbraw/zinc/94/48/78/413944878.db2.gz ZTTIRHFOMXAPMM-SFHVURJKSA-N 1 3 293.499 2.691 20 30 CFEDHO C=CC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661387828 413944885 /nfs/dbraw/zinc/94/48/85/413944885.db2.gz ZTTIRHFOMXAPMM-SFHVURJKSA-N 1 3 293.499 2.691 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657831784 413984306 /nfs/dbraw/zinc/98/43/06/413984306.db2.gz BLYKUKJNHZKWRE-AEFFLSMTSA-N 1 3 293.499 2.737 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000360954210 261137184 /nfs/dbraw/zinc/13/71/84/261137184.db2.gz FTDBXNKEYGRILU-ULQDDVLXSA-N 1 3 282.472 2.804 20 30 CFEDHO C=CCC[C@H](O)CN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954210 261137187 /nfs/dbraw/zinc/13/71/87/261137187.db2.gz FTDBXNKEYGRILU-ULQDDVLXSA-N 1 3 282.472 2.804 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414813764 263053261 /nfs/dbraw/zinc/05/32/61/263053261.db2.gz YQWZBARMFVBRBP-WBVHZDCISA-N 1 3 274.408 2.859 20 30 CFEDHO CC(C)N(CCNC(=[NH2+])Nc1cc(F)ccc1F)C(C)C ZINC000288807557 263106215 /nfs/dbraw/zinc/10/62/15/263106215.db2.gz ZZVLGJMVFHJIPU-UHFFFAOYSA-N 1 3 298.381 2.810 20 30 CFEDHO C#CCC[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000371197348 267363983 /nfs/dbraw/zinc/36/39/83/267363983.db2.gz WFODGPTZDOVMFD-UHFFFAOYSA-N 1 3 262.441 2.985 20 30 CFEDHO C#CCC[N@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000371197348 267363987 /nfs/dbraw/zinc/36/39/87/267363987.db2.gz WFODGPTZDOVMFD-UHFFFAOYSA-N 1 3 262.441 2.985 20 30 CFEDHO N#CCCCC[N@@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371209308 267371828 /nfs/dbraw/zinc/37/18/28/267371828.db2.gz UAGMBFQKDUWTOW-INIZCTEOSA-N 1 3 263.429 2.878 20 30 CFEDHO N#CCCCC[N@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371209308 267371831 /nfs/dbraw/zinc/37/18/31/267371831.db2.gz UAGMBFQKDUWTOW-INIZCTEOSA-N 1 3 263.429 2.878 20 30 CFEDHO N#Cc1cccc(CCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000562296899 282073151 /nfs/dbraw/zinc/07/31/51/282073151.db2.gz VNCNUSNKTRSKHD-UHFFFAOYSA-N 1 3 283.419 2.565 20 30 CFEDHO C[C@H](NCCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000273195786 328204646 /nfs/dbraw/zinc/20/46/46/328204646.db2.gz HTYMIMXNDKZWQH-AWEZNQCLSA-N 1 3 275.396 2.581 20 30 CFEDHO C[C@H]1CN(CCC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000177491880 329184671 /nfs/dbraw/zinc/18/46/71/329184671.db2.gz WGXGMZBQPYYITI-HOTGVXAUSA-N 1 3 293.455 2.501 20 30 CFEDHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185760512 329331219 /nfs/dbraw/zinc/33/12/19/329331219.db2.gz GSNQEWZPXAZAIS-JKSUJKDBSA-N 1 3 263.429 2.780 20 30 CFEDHO CC1CC[NH+](CCCN[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185760512 329331221 /nfs/dbraw/zinc/33/12/21/329331221.db2.gz GSNQEWZPXAZAIS-JKSUJKDBSA-N 1 3 263.429 2.780 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423151525 330172854 /nfs/dbraw/zinc/17/28/54/330172854.db2.gz CNQVQOWWSONZJU-QUSNUVHPSA-N 1 3 275.440 2.969 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423151526 330172923 /nfs/dbraw/zinc/17/29/23/330172923.db2.gz CNQVQOWWSONZJU-SMLCLMEVSA-N 1 3 275.440 2.969 20 30 CFEDHO C=C(CC)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167541 330174298 /nfs/dbraw/zinc/17/42/98/330174298.db2.gz XBKVJTUHRAZOON-NVXWUHKLSA-N 1 3 272.392 2.798 20 30 CFEDHO C[C@H](N)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423223153 330180157 /nfs/dbraw/zinc/18/01/57/330180157.db2.gz FAODNIJWWHFWNK-OOHWJJMZSA-N 1 3 271.408 2.717 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000424173026 330313640 /nfs/dbraw/zinc/31/36/40/330313640.db2.gz OTOCKHJYDNTZAX-YJBOKZPZSA-N 1 3 292.467 2.964 20 30 CFEDHO CC(C)(CCC#N)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459557608 331287629 /nfs/dbraw/zinc/28/76/29/331287629.db2.gz HKRLPIIBUSGXBK-UHFFFAOYSA-N 1 3 286.423 2.970 20 30 CFEDHO CC#CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309741920 333048419 /nfs/dbraw/zinc/04/84/19/333048419.db2.gz WEDXAFRDLVDTDS-IPMKNSEASA-N 1 3 282.431 2.900 20 30 CFEDHO C=CCCC[C@H](C)[NH+]1CCC(CO)(NCC2CC2)CC1 ZINC000517155088 333093563 /nfs/dbraw/zinc/09/35/63/333093563.db2.gz YTFGGSPZZZAETF-HNNXBMFYSA-N 1 3 280.456 2.558 20 30 CFEDHO C[C@H](NC1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000335014381 525289821 /nfs/dbraw/zinc/28/98/21/525289821.db2.gz ZPYZMZFMBLSKKS-PKSQDBQZSA-N 1 3 261.344 2.618 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000104167942 617951953 /nfs/dbraw/zinc/95/19/53/617951953.db2.gz MXFKJJNDARFJJC-LSDHHAIUSA-N 1 3 288.439 2.842 20 30 CFEDHO CN(CCCCCC[NH3+])Cc1cc(C#N)cs1 ZINC000903825613 621450407 /nfs/dbraw/zinc/45/04/07/621450407.db2.gz BDEIUDIAKIXGJC-UHFFFAOYSA-N 1 3 251.399 2.571 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911725188 622541458 /nfs/dbraw/zinc/54/14/58/622541458.db2.gz JJQPWZQKIBHOEY-JYJNAYRXSA-N 1 3 297.487 2.569 20 30 CFEDHO N#CC1CCC(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000929835411 623892506 /nfs/dbraw/zinc/89/25/06/623892506.db2.gz MUCGNIVRADATCC-UHFFFAOYSA-N 1 3 284.407 2.534 20 30 CFEDHO N#CC1CCC(C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC000929835411 623892510 /nfs/dbraw/zinc/89/25/10/623892510.db2.gz MUCGNIVRADATCC-UHFFFAOYSA-N 1 3 284.407 2.534 20 30 CFEDHO C[C@H](CC(C)(C)C#N)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000925440370 624356542 /nfs/dbraw/zinc/35/65/42/624356542.db2.gz RBYICRZXOLIBLO-BZUAXINKSA-N 1 3 295.471 2.794 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166837 627181920 /nfs/dbraw/zinc/18/19/20/627181920.db2.gz WCKYVWFTSCZQFA-VYDXJSESSA-N 1 3 286.419 2.832 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166837 627181923 /nfs/dbraw/zinc/18/19/23/627181923.db2.gz WCKYVWFTSCZQFA-VYDXJSESSA-N 1 3 286.419 2.832 20 30 CFEDHO C#Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000809545845 631231204 /nfs/dbraw/zinc/23/12/04/631231204.db2.gz SEHLHDNUOHWWCX-UHFFFAOYSA-N 1 3 282.431 2.976 20 30 CFEDHO C=C(Cl)COc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000817938642 632742929 /nfs/dbraw/zinc/74/29/29/632742929.db2.gz OUYRMGSYGMBMEO-GFCCVEGCSA-N 1 3 268.788 2.817 20 30 CFEDHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1 ZINC000817947646 632749256 /nfs/dbraw/zinc/74/92/56/632749256.db2.gz DSLWJNCYSGUDJC-CQSZACIVSA-N 1 3 279.387 2.910 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720591 633324413 /nfs/dbraw/zinc/32/44/13/633324413.db2.gz ZUAKOBFBVQWOGH-ARFHVFGLSA-N 1 3 287.407 2.727 20 30 CFEDHO CC(C)[NH+]1CCC(CCNC[C@H](C#N)CCC#N)CC1 ZINC000871911086 641510028 /nfs/dbraw/zinc/51/00/28/641510028.db2.gz FPZPKWZYASSFME-INIZCTEOSA-N 1 3 276.428 2.530 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087822697 650806129 /nfs/dbraw/zinc/80/61/29/650806129.db2.gz NMWFYIMTQLHVBO-UHFFFAOYSA-N 1 3 287.407 2.531 20 30 CFEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCCO1 ZINC000883195144 645655320 /nfs/dbraw/zinc/65/53/20/645655320.db2.gz LRWZCXLOXVKQNQ-LTIDMASMSA-N 1 3 280.456 2.963 20 30 CFEDHO C=CCCC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000883216000 645670185 /nfs/dbraw/zinc/67/01/85/645670185.db2.gz JQRQFGIYQNOQRY-ROUUACIJSA-N 1 3 288.435 2.740 20 30 CFEDHO C=CCCC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000883216000 645670188 /nfs/dbraw/zinc/67/01/88/645670188.db2.gz JQRQFGIYQNOQRY-ROUUACIJSA-N 1 3 288.435 2.740 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1CCCC1 ZINC000305269138 651056432 /nfs/dbraw/zinc/05/64/32/651056432.db2.gz WZGZVRYLAFGNHH-HNNXBMFYSA-N 1 3 294.487 2.591 20 30 CFEDHO C=CCCCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001209423243 770077487 /nfs/dbraw/zinc/07/74/87/770077487.db2.gz KKDRTXVTYYGTTC-UHFFFAOYSA-N 1 3 281.488 2.692 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC001231622440 777281906 /nfs/dbraw/zinc/28/19/06/777281906.db2.gz ZUDCKBWXNQIVFB-SJORKVTESA-N 1 3 286.419 2.635 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC001231622440 777281907 /nfs/dbraw/zinc/28/19/07/777281907.db2.gz ZUDCKBWXNQIVFB-SJORKVTESA-N 1 3 286.419 2.635 20 30 CFEDHO CCCCCCCCN(C)Cc1cnc2n1CC[NH2+]CC2 ZINC001235663879 778530732 /nfs/dbraw/zinc/53/07/32/778530732.db2.gz MSGMRPKCSKBGSZ-UHFFFAOYSA-N 1 3 292.471 2.821 20 30 CFEDHO CCCCCCC/C=C/CN(C)CCN1CC[NH2+]CC1 ZINC001236081271 778684745 /nfs/dbraw/zinc/68/47/45/778684745.db2.gz ACPPSIZZCCTEFM-MDZDMXLPSA-N 1 3 281.488 2.740 20 30 CFEDHO C[NH+]1C[C@@]2(C)CN(CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000706253370 781164051 /nfs/dbraw/zinc/16/40/51/781164051.db2.gz IOUYZWAMEVGLEI-HOTGVXAUSA-N 1 3 263.429 2.590 20 30 CFEDHO N#CC1(c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000594915743 349504787 /nfs/dbraw/zinc/50/47/87/349504787.db2.gz WIWDRGNBMKSXBV-UHFFFAOYSA-N 1 3 295.430 2.958 20 30 CFEDHO C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CN(C)C ZINC000594944368 349522860 /nfs/dbraw/zinc/52/28/60/349522860.db2.gz OLVPKAVKVFIQBL-AWEZNQCLSA-N 1 3 271.408 2.529 20 30 CFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595327409 349602158 /nfs/dbraw/zinc/60/21/58/349602158.db2.gz NLPSOZXBCKUNAL-GOSISDBHSA-N 1 3 285.435 2.907 20 30 CFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595327409 349602162 /nfs/dbraw/zinc/60/21/62/349602162.db2.gz NLPSOZXBCKUNAL-GOSISDBHSA-N 1 3 285.435 2.907 20 30 CFEDHO CN(CCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595480910 349639540 /nfs/dbraw/zinc/63/95/40/349639540.db2.gz ATFXPCCQRRSOOB-JWTNVVGKSA-N 1 3 283.419 2.658 20 30 CFEDHO CN(CCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595480910 349639543 /nfs/dbraw/zinc/63/95/43/349639543.db2.gz ATFXPCCQRRSOOB-JWTNVVGKSA-N 1 3 283.419 2.658 20 30 CFEDHO N#CC1(CNC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000593654551 349304600 /nfs/dbraw/zinc/30/46/00/349304600.db2.gz HSYPHQFJGJSTTJ-UHFFFAOYSA-N 1 3 284.407 2.724 20 30 CFEDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497720 349431409 /nfs/dbraw/zinc/43/14/09/349431409.db2.gz DOZFXIGBXWGQJD-INIZCTEOSA-N 1 3 285.435 2.919 20 30 CFEDHO C[N@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497720 349431411 /nfs/dbraw/zinc/43/14/11/349431411.db2.gz DOZFXIGBXWGQJD-INIZCTEOSA-N 1 3 285.435 2.919 20 30 CFEDHO C[C@@H]1CCC[N@H+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515069 350911244 /nfs/dbraw/zinc/91/12/44/350911244.db2.gz SZJWNTXINHKXTN-OAHLLOKOSA-N 1 3 286.423 2.555 20 30 CFEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515069 350911246 /nfs/dbraw/zinc/91/12/46/350911246.db2.gz SZJWNTXINHKXTN-OAHLLOKOSA-N 1 3 286.423 2.555 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000602512432 350911637 /nfs/dbraw/zinc/91/16/37/350911637.db2.gz BEYJXCVFYUJDTK-HRCADAONSA-N 1 3 265.445 2.884 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000602583609 350934494 /nfs/dbraw/zinc/93/44/94/350934494.db2.gz ZVTNLDZEXTWJHQ-OAHLLOKOSA-N 1 3 286.423 2.827 20 30 CFEDHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602656379 350962689 /nfs/dbraw/zinc/96/26/89/350962689.db2.gz SYXBTGAJQYKBFZ-CVEARBPZSA-N 1 3 293.455 2.549 20 30 CFEDHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602656379 350962690 /nfs/dbraw/zinc/96/26/90/350962690.db2.gz SYXBTGAJQYKBFZ-CVEARBPZSA-N 1 3 293.455 2.549 20 30 CFEDHO CC(C)CN(C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602700629 350987179 /nfs/dbraw/zinc/98/71/79/350987179.db2.gz VCLDKWSGCZBTPQ-UHFFFAOYSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](NCC1(CC#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812591 351035064 /nfs/dbraw/zinc/03/50/64/351035064.db2.gz UEZHJXMGPGBSSV-GJZGRUSLSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@H](NCC1(CC#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602812591 351035068 /nfs/dbraw/zinc/03/50/68/351035068.db2.gz UEZHJXMGPGBSSV-GJZGRUSLSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000602812591 351035071 /nfs/dbraw/zinc/03/50/71/351035071.db2.gz UEZHJXMGPGBSSV-GJZGRUSLSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@H](C[NH3+])CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423311460 238367044 /nfs/dbraw/zinc/36/70/44/238367044.db2.gz TYFOUYINVWNWNR-MLGOLLRUSA-N 1 3 257.381 2.510 20 30 CFEDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(C#N)c1 ZINC000181875379 189309091 /nfs/dbraw/zinc/30/90/91/189309091.db2.gz VMSDCMWPRMITLH-RHSMWYFYSA-N 1 3 289.423 2.566 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000037644017 372677628 /nfs/dbraw/zinc/67/76/28/372677628.db2.gz AZAKLTRTMPQTND-DZGCQCFKSA-N 1 3 257.381 2.551 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264141483 383700687 /nfs/dbraw/zinc/70/06/87/383700687.db2.gz WRPSRPVTHRPFLG-OAHLLOKOSA-N 1 3 274.412 2.514 20 30 CFEDHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1C#N ZINC000266134836 190233482 /nfs/dbraw/zinc/23/34/82/190233482.db2.gz FCZRPEPIGVYJQB-ALOPSCKCSA-N 1 3 299.418 2.672 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000159284853 378699808 /nfs/dbraw/zinc/69/98/08/378699808.db2.gz ZQLHLUVZLRMAEV-HNNXBMFYSA-N 1 3 286.419 2.834 20 30 CFEDHO N#CC1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000334384804 379202919 /nfs/dbraw/zinc/20/29/19/379202919.db2.gz MGBJFBDYWYEQOO-CKUJCDMFSA-N 1 3 261.413 2.533 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000334593150 379591603 /nfs/dbraw/zinc/59/16/03/379591603.db2.gz DEVGRXOODLZTNV-GOSISDBHSA-N 1 3 281.403 2.762 20 30 CFEDHO CC[NH+](CC)CCOC1CCN([C@@H](C)CCC#N)CC1 ZINC000411300943 381021587 /nfs/dbraw/zinc/02/15/87/381021587.db2.gz NGQWSMIPSXOLQX-HNNXBMFYSA-N 1 3 281.444 2.501 20 30 CFEDHO C#C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000289630476 381077213 /nfs/dbraw/zinc/07/72/13/381077213.db2.gz WVLOEQKQYQOSQQ-DZJNRPSUSA-N 1 3 268.404 2.508 20 30 CFEDHO C=CCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184743410 381471195 /nfs/dbraw/zinc/47/11/95/381471195.db2.gz SQMRIHQNROGIMH-GJZGRUSLSA-N 1 3 258.409 2.919 20 30 CFEDHO CC(C)(C)N1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000343534616 381780688 /nfs/dbraw/zinc/78/06/88/381780688.db2.gz NESPVGLWNOSAQH-UHFFFAOYSA-N 1 3 285.435 2.953 20 30 CFEDHO CC(C)(C)[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000343534616 381780697 /nfs/dbraw/zinc/78/06/97/381780697.db2.gz NESPVGLWNOSAQH-UHFFFAOYSA-N 1 3 285.435 2.953 20 30 CFEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343992062 382054312 /nfs/dbraw/zinc/05/43/12/382054312.db2.gz RBSZMLHZBSYZCP-CABCVRRESA-N 1 3 291.439 2.712 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000345819652 382316099 /nfs/dbraw/zinc/31/60/99/382316099.db2.gz SBZKBMIMPUDBPL-LSDHHAIUSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345819652 382316100 /nfs/dbraw/zinc/31/61/00/382316100.db2.gz SBZKBMIMPUDBPL-LSDHHAIUSA-N 1 3 299.418 2.837 20 30 CFEDHO CC1CCN(C(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC000303358399 382356701 /nfs/dbraw/zinc/35/67/01/382356701.db2.gz AJVHLBUXRGQAPR-DOTOQJQBSA-N 1 3 294.487 2.544 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000311884807 382509045 /nfs/dbraw/zinc/50/90/45/382509045.db2.gz YZIVIGGOSXAXCL-AWEZNQCLSA-N 1 3 262.397 2.539 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000353611984 382577421 /nfs/dbraw/zinc/57/74/21/382577421.db2.gz PUWXGGWYRBWERV-BRWVUGGUSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000353611984 382577424 /nfs/dbraw/zinc/57/74/24/382577424.db2.gz PUWXGGWYRBWERV-BRWVUGGUSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000353611984 382577429 /nfs/dbraw/zinc/57/74/29/382577429.db2.gz PUWXGGWYRBWERV-BRWVUGGUSA-N 1 3 299.418 2.529 20 30 CFEDHO N#Cc1ccc(OCC[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422988066 382999311 /nfs/dbraw/zinc/99/93/11/382999311.db2.gz IADBCUAVVHPDRJ-ROUUACIJSA-N 1 3 293.370 2.671 20 30 CFEDHO N#CCCC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579722875 383046858 /nfs/dbraw/zinc/04/68/58/383046858.db2.gz RQRFYBAQBXMSKT-UHFFFAOYSA-N 1 3 283.419 2.848 20 30 CFEDHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423276026 383055832 /nfs/dbraw/zinc/05/58/32/383055832.db2.gz NXWYOGWGAJIGNJ-IRXDYDNUSA-N 1 3 271.408 2.899 20 30 CFEDHO C=CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248401764 383236164 /nfs/dbraw/zinc/23/61/64/383236164.db2.gz SQMRIHQNROGIMH-QLPKVWCKSA-N 1 3 258.409 2.919 20 30 CFEDHO C=CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248401764 383236166 /nfs/dbraw/zinc/23/61/66/383236166.db2.gz SQMRIHQNROGIMH-QLPKVWCKSA-N 1 3 258.409 2.919 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000249378541 383342659 /nfs/dbraw/zinc/34/26/59/383342659.db2.gz OFHZBDCQSSEMFO-UKRRQHHQSA-N 1 3 257.381 2.551 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000248859591 383299283 /nfs/dbraw/zinc/29/92/83/383299283.db2.gz PPNBTWFAUSMTMS-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000248859591 383299287 /nfs/dbraw/zinc/29/92/87/383299287.db2.gz PPNBTWFAUSMTMS-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248859591 383299291 /nfs/dbraw/zinc/29/92/91/383299291.db2.gz PPNBTWFAUSMTMS-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938650 385405751 /nfs/dbraw/zinc/40/57/51/385405751.db2.gz ODUOAMWDGKHEMT-QWHCGFSZSA-N 1 3 275.371 2.690 20 30 CFEDHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271972506 385415012 /nfs/dbraw/zinc/41/50/12/385415012.db2.gz UVUVGXHRROOZCF-GFCCVEGCSA-N 1 3 273.355 2.610 20 30 CFEDHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271972506 385415015 /nfs/dbraw/zinc/41/50/15/385415015.db2.gz UVUVGXHRROOZCF-GFCCVEGCSA-N 1 3 273.355 2.610 20 30 CFEDHO C[C@@H]([NH2+]CCCCC#N)c1cccc(OCCN(C)C)c1 ZINC000178643528 393446192 /nfs/dbraw/zinc/44/61/92/393446192.db2.gz KXBGSJJODOSKSW-OAHLLOKOSA-N 1 3 289.423 2.971 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N)CCC1 ZINC000335021744 393635373 /nfs/dbraw/zinc/63/53/73/393635373.db2.gz DSGVSIYRZBCGPT-INIZCTEOSA-N 1 3 269.392 2.797 20 30 CFEDHO C=CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000338565272 393790941 /nfs/dbraw/zinc/79/09/41/393790941.db2.gz WPEGFAMWZQFTMK-UHFFFAOYSA-N 1 3 259.397 2.806 20 30 CFEDHO C=CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000338565272 393790943 /nfs/dbraw/zinc/79/09/43/393790943.db2.gz WPEGFAMWZQFTMK-UHFFFAOYSA-N 1 3 259.397 2.806 20 30 CFEDHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339059614 393813983 /nfs/dbraw/zinc/81/39/83/393813983.db2.gz GHCPHIVLXMYWPH-AEFFLSMTSA-N 1 3 298.434 2.922 20 30 CFEDHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339059614 393813986 /nfs/dbraw/zinc/81/39/86/393813986.db2.gz GHCPHIVLXMYWPH-AEFFLSMTSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000353253285 394027185 /nfs/dbraw/zinc/02/71/85/394027185.db2.gz LBSPLLAHXONSSE-VMGRFDJRSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1C ZINC000353253285 394027186 /nfs/dbraw/zinc/02/71/86/394027186.db2.gz LBSPLLAHXONSSE-VMGRFDJRSA-N 1 3 269.392 2.618 20 30 CFEDHO C#CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000366793412 394247707 /nfs/dbraw/zinc/24/77/07/394247707.db2.gz YDDAOLLZCRSOFI-GDAAHCPNSA-N 1 3 282.431 2.898 20 30 CFEDHO CC[C@H](N)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423441166 394281989 /nfs/dbraw/zinc/28/19/89/394281989.db2.gz AXECNYRLPFZKHS-HOCLYGCPSA-N 1 3 257.381 2.653 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@H]21 ZINC000453375191 394392299 /nfs/dbraw/zinc/39/22/99/394392299.db2.gz HWOXZUDHGDRZJK-HYVNUMGLSA-N 1 3 287.382 2.660 20 30 CFEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309978735 262065734 /nfs/dbraw/zinc/06/57/34/262065734.db2.gz TUOKKYJLLZLQDR-RDJZCZTQSA-N 1 3 299.418 2.565 20 30 CFEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309978735 262065736 /nfs/dbraw/zinc/06/57/36/262065736.db2.gz TUOKKYJLLZLQDR-RDJZCZTQSA-N 1 3 299.418 2.565 20 30 CFEDHO C[NH+](C)C[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000336784399 262394586 /nfs/dbraw/zinc/39/45/86/262394586.db2.gz QFWSXJJXNWPIOU-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000341891070 263364381 /nfs/dbraw/zinc/36/43/81/263364381.db2.gz UYWSYTFFVLCUHR-SOLBZPMBSA-N 1 3 294.483 2.804 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000345811616 289236504 /nfs/dbraw/zinc/23/65/04/289236504.db2.gz HSAIDIUOUJAHSU-LSDHHAIUSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000345811616 289236508 /nfs/dbraw/zinc/23/65/08/289236508.db2.gz HSAIDIUOUJAHSU-LSDHHAIUSA-N 1 3 299.418 2.694 20 30 CFEDHO C[C@@H](NCCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000273195789 328204492 /nfs/dbraw/zinc/20/44/92/328204492.db2.gz HTYMIMXNDKZWQH-CQSZACIVSA-N 1 3 275.396 2.581 20 30 CFEDHO N#Cc1ccccc1CSCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000582072632 325174378 /nfs/dbraw/zinc/17/43/78/325174378.db2.gz BPEJMEQSJQJCAN-HOTGVXAUSA-N 1 3 289.448 2.651 20 30 CFEDHO Cc1cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)ccc1C#N ZINC000583720719 325306358 /nfs/dbraw/zinc/30/63/58/325306358.db2.gz VRTROSUDGLSKAA-QZTJIDSGSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)ccc1C#N ZINC000583720719 325306359 /nfs/dbraw/zinc/30/63/59/325306359.db2.gz VRTROSUDGLSKAA-QZTJIDSGSA-N 1 3 283.419 2.783 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377935891 329035231 /nfs/dbraw/zinc/03/52/31/329035231.db2.gz AWPSAGQJFBNFEP-OAGGEKHMSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377935891 329035233 /nfs/dbraw/zinc/03/52/33/329035233.db2.gz AWPSAGQJFBNFEP-OAGGEKHMSA-N 1 3 275.440 2.732 20 30 CFEDHO C=C(C)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177497706 329184971 /nfs/dbraw/zinc/18/49/71/329184971.db2.gz ZTZADIPUYMOZHS-HOTGVXAUSA-N 1 3 280.456 2.774 20 30 CFEDHO CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185772611 329331612 /nfs/dbraw/zinc/33/16/12/329331612.db2.gz OZZXJLZDGQTGOU-GOEBONIOSA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)CC#N ZINC000423172261 330174499 /nfs/dbraw/zinc/17/44/99/330174499.db2.gz SAILOWQUXMBXRX-ZIAGYGMSSA-N 1 3 251.418 2.827 20 30 CFEDHO C#CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248415794 334300748 /nfs/dbraw/zinc/30/07/48/334300748.db2.gz OPMMPLKHYJDATM-GUDVDZBRSA-N 1 3 282.431 2.900 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(C)(C)C#N)[C@@H](C)C1 ZINC000347198374 528664753 /nfs/dbraw/zinc/66/47/53/528664753.db2.gz LKSNCBLPMSJOLS-JKSUJKDBSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(C)(C)C#N)[C@@H](C)C1 ZINC000347198374 528664755 /nfs/dbraw/zinc/66/47/55/528664755.db2.gz LKSNCBLPMSJOLS-JKSUJKDBSA-N 1 3 295.471 2.653 20 30 CFEDHO C#CCCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000756122937 574076308 /nfs/dbraw/zinc/07/63/08/574076308.db2.gz XSZSRVYAODCELQ-UHFFFAOYSA-N 1 3 299.462 2.722 20 30 CFEDHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533692 618026994 /nfs/dbraw/zinc/02/69/94/618026994.db2.gz LMQAHHYKRSLIOP-HUUCEWRRSA-N 1 3 287.407 2.581 20 30 CFEDHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533692 618026998 /nfs/dbraw/zinc/02/69/98/618026998.db2.gz LMQAHHYKRSLIOP-HUUCEWRRSA-N 1 3 287.407 2.581 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(OCC#N)cc2)C1 ZINC000925624342 618345836 /nfs/dbraw/zinc/34/58/36/618345836.db2.gz ZQHKCPXXWXEHDP-LSDHHAIUSA-N 1 3 287.407 2.585 20 30 CFEDHO C[C@H](CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)N(C)C ZINC000895292568 618514927 /nfs/dbraw/zinc/51/49/27/618514927.db2.gz PYDYFVBRSSEXAM-CQSZACIVSA-N 1 3 271.408 2.672 20 30 CFEDHO C#C[C@H](NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000894551850 619417733 /nfs/dbraw/zinc/41/77/33/619417733.db2.gz AEBOEPTWASRUBC-INIZCTEOSA-N 1 3 276.811 2.946 20 30 CFEDHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C#N)c1 ZINC000902998723 621224635 /nfs/dbraw/zinc/22/46/35/621224635.db2.gz HOWWYIZXDPUIJM-BBRMVZONSA-N 1 3 259.397 2.797 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903425126 621379747 /nfs/dbraw/zinc/37/97/47/621379747.db2.gz TYZPMBZYSUYHMI-GDBMZVCRSA-N 1 3 271.408 2.734 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2CCC1(CN)CC2 ZINC000903463599 621382107 /nfs/dbraw/zinc/38/21/07/621382107.db2.gz GHYXYVJYYHQXEC-UHFFFAOYSA-N 1 3 283.419 2.878 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2CCC1(CN)CC2 ZINC000903463599 621382108 /nfs/dbraw/zinc/38/21/08/621382108.db2.gz GHYXYVJYYHQXEC-UHFFFAOYSA-N 1 3 283.419 2.878 20 30 CFEDHO N#CC1(CCCC[N@H+]2C[C@H]3CCC[C@@]3(N)C2)CCC1 ZINC000903770276 621437827 /nfs/dbraw/zinc/43/78/27/621437827.db2.gz WHXUXVUJDGQNLW-GDBMZVCRSA-N 1 3 261.413 2.664 20 30 CFEDHO N#CC1(CCCC[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CCC1 ZINC000903770276 621437830 /nfs/dbraw/zinc/43/78/30/621437830.db2.gz WHXUXVUJDGQNLW-GDBMZVCRSA-N 1 3 261.413 2.664 20 30 CFEDHO CC(C)C[C@@H]([NH3+])CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000903987357 621499721 /nfs/dbraw/zinc/49/97/21/621499721.db2.gz CZDNGMFIWUJNKL-MRXNPFEDSA-N 1 3 273.424 2.842 20 30 CFEDHO C=CCSCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231933671 623375930 /nfs/dbraw/zinc/37/59/30/623375930.db2.gz YHEMWEBBFTWRAZ-KBPBESRZSA-N 1 3 256.459 2.806 20 30 CFEDHO C#CCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000766895488 624512815 /nfs/dbraw/zinc/51/28/15/624512815.db2.gz KNEJVHZYHASNRC-QGZVFWFLSA-N 1 3 262.441 2.844 20 30 CFEDHO C#CCN(Cc1ccccc1C[N@H+](CC#C)C1CC1)C1CC1 ZINC000763949993 627024644 /nfs/dbraw/zinc/02/46/44/627024644.db2.gz ODHPYGAFCVRVDB-UHFFFAOYSA-N 1 3 292.426 2.882 20 30 CFEDHO C#CCN(Cc1ccccc1C[N@@H+](CC#C)C1CC1)C1CC1 ZINC000763949993 627024648 /nfs/dbraw/zinc/02/46/48/627024648.db2.gz ODHPYGAFCVRVDB-UHFFFAOYSA-N 1 3 292.426 2.882 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000772856804 627751658 /nfs/dbraw/zinc/75/16/58/627751658.db2.gz RMZWHKBPGDEXEJ-ROUUACIJSA-N 1 3 288.435 2.740 20 30 CFEDHO C#Cc1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC000809631895 631251819 /nfs/dbraw/zinc/25/18/19/631251819.db2.gz GFYKLYXHJBFWOZ-UHFFFAOYSA-N 1 3 256.393 2.632 20 30 CFEDHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(C#N)c1 ZINC000817947691 632749609 /nfs/dbraw/zinc/74/96/09/632749609.db2.gz FRTXNQSMKXURGK-CQSZACIVSA-N 1 3 279.387 2.910 20 30 CFEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000817971249 632770695 /nfs/dbraw/zinc/77/06/95/632770695.db2.gz LHZVBFSGYFJOKX-NWDGAFQWSA-N 1 3 268.788 2.816 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000303894989 651007482 /nfs/dbraw/zinc/00/74/82/651007482.db2.gz PHGWPIQGPHUWSH-CABCVRRESA-N 1 3 282.476 2.734 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CCC)C1)[C@H]1CCCO1 ZINC000883175463 645641979 /nfs/dbraw/zinc/64/19/79/645641979.db2.gz HXIXAVBCTHWPLW-YESZJQIVSA-N 1 3 280.456 2.822 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(CC)(CC)CC ZINC000305001475 651040627 /nfs/dbraw/zinc/04/06/27/651040627.db2.gz BGRTVUHEPGXHNH-CQSZACIVSA-N 1 3 282.476 2.591 20 30 CFEDHO N#Cc1ccc(CCN2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886874077 647165552 /nfs/dbraw/zinc/16/55/52/647165552.db2.gz FYSHQUYQAQKSKG-GOSISDBHSA-N 1 3 283.419 2.566 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NCCC[NH+]1CCCCC1 ZINC000924579407 647999542 /nfs/dbraw/zinc/99/95/42/647999542.db2.gz WSGMZVSTKOAOKC-CQSZACIVSA-N 1 3 251.418 2.780 20 30 CFEDHO CC[C@@H](CN[C@@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924640824 648016250 /nfs/dbraw/zinc/01/62/50/648016250.db2.gz ZXGVVGXCYCVXRY-KBPBESRZSA-N 1 3 251.418 2.779 20 30 CFEDHO CC(C)[N@@H+]1C[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925524588 648199448 /nfs/dbraw/zinc/19/94/48/648199448.db2.gz VXFMHDOHGAFBSX-MJBXVCDLSA-N 1 3 251.418 2.633 20 30 CFEDHO CC(C)[N@H+]1C[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925524588 648199453 /nfs/dbraw/zinc/19/94/53/648199453.db2.gz VXFMHDOHGAFBSX-MJBXVCDLSA-N 1 3 251.418 2.633 20 30 CFEDHO Cc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1C#N ZINC000925842109 648341185 /nfs/dbraw/zinc/34/11/85/648341185.db2.gz WHUAXZPMCDBGMN-ZDUSSCGKSA-N 1 3 294.402 2.880 20 30 CFEDHO CN(C)C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929264770 649017938 /nfs/dbraw/zinc/01/79/38/649017938.db2.gz VCJGPDRIWRDOGL-UHFFFAOYSA-N 1 3 263.429 2.877 20 30 CFEDHO C=CCCC[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000934645598 649810051 /nfs/dbraw/zinc/81/00/51/649810051.db2.gz VCZFTEZSLLUVCH-UHFFFAOYSA-N 1 3 281.488 2.691 20 30 CFEDHO C=CCCC[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000934645598 649810053 /nfs/dbraw/zinc/81/00/53/649810053.db2.gz VCZFTEZSLLUVCH-UHFFFAOYSA-N 1 3 281.488 2.691 20 30 CFEDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695793042 776013188 /nfs/dbraw/zinc/01/31/88/776013188.db2.gz XEKILURIZCFZHQ-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695793042 776013197 /nfs/dbraw/zinc/01/31/97/776013197.db2.gz XEKILURIZCFZHQ-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000695793042 776013205 /nfs/dbraw/zinc/01/32/05/776013205.db2.gz XEKILURIZCFZHQ-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](CN[C@H](C)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000695789268 776013736 /nfs/dbraw/zinc/01/37/36/776013736.db2.gz WPMHPTQNOIQGPA-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO C#C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994772 777527219 /nfs/dbraw/zinc/52/72/19/777527219.db2.gz ODRJSSPPXYLXKH-NAZJXLNTSA-N 1 3 272.436 2.737 20 30 CFEDHO C#C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994772 777527223 /nfs/dbraw/zinc/52/72/23/777527223.db2.gz ODRJSSPPXYLXKH-NAZJXLNTSA-N 1 3 272.436 2.737 20 30 CFEDHO C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167994772 777527226 /nfs/dbraw/zinc/52/72/26/777527226.db2.gz ODRJSSPPXYLXKH-NAZJXLNTSA-N 1 3 272.436 2.737 20 30 CFEDHO C#C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167994772 777527227 /nfs/dbraw/zinc/52/72/27/777527227.db2.gz ODRJSSPPXYLXKH-NAZJXLNTSA-N 1 3 272.436 2.737 20 30 CFEDHO C(#CC1CCN(C[C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001236303908 778767741 /nfs/dbraw/zinc/76/77/41/778767741.db2.gz VAYVBELCPJZHRL-IBGZPJMESA-N 1 3 282.431 2.750 20 30 CFEDHO CCCCCCCCCC[N@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236409921 778805767 /nfs/dbraw/zinc/80/57/67/778805767.db2.gz AFAKJNFVADYWQU-HOTGVXAUSA-N 1 3 298.471 2.949 20 30 CFEDHO CCCCCCCCCC[N@@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236409921 778805760 /nfs/dbraw/zinc/80/57/60/778805760.db2.gz AFAKJNFVADYWQU-HOTGVXAUSA-N 1 3 298.471 2.949 20 30 CFEDHO C#CCN(Cc1cccc(C[N@H+](CC#C)C2CC2)c1)C1CC1 ZINC000763949435 779773888 /nfs/dbraw/zinc/77/38/88/779773888.db2.gz CDRDIPKEQSVEAA-UHFFFAOYSA-N 1 3 292.426 2.882 20 30 CFEDHO C#CCN(Cc1cccc(C[N@@H+](CC#C)C2CC2)c1)C1CC1 ZINC000763949435 779773894 /nfs/dbraw/zinc/77/38/94/779773894.db2.gz CDRDIPKEQSVEAA-UHFFFAOYSA-N 1 3 292.426 2.882 20 30 CFEDHO C[C@H](C[C@H](C)[NH3+])NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584667 349451746 /nfs/dbraw/zinc/45/17/46/349451746.db2.gz ADWYLSQEQZBGAO-QWHCGFSZSA-N 1 3 257.381 2.653 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595070497 349573402 /nfs/dbraw/zinc/57/34/02/349573402.db2.gz VKFUHFRQOZKQFR-MSOLQXFVSA-N 1 3 298.434 2.575 20 30 CFEDHO CC(C)[NH+]1CCC(N(C)CCc2ccc(C#N)cc2)CC1 ZINC000595300337 349597353 /nfs/dbraw/zinc/59/73/53/349597353.db2.gz AAYIZMHLHXFJKI-UHFFFAOYSA-N 1 3 285.435 2.905 20 30 CFEDHO CN(C)[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595457509 349633023 /nfs/dbraw/zinc/63/30/23/349633023.db2.gz BCYJJNSBCCICBG-KRWDZBQOSA-N 1 3 271.408 2.517 20 30 CFEDHO CN(C)[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595457509 349633024 /nfs/dbraw/zinc/63/30/24/349633024.db2.gz BCYJJNSBCCICBG-KRWDZBQOSA-N 1 3 271.408 2.517 20 30 CFEDHO C[C@@H]1CN(CC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000069016829 346879945 /nfs/dbraw/zinc/87/99/45/346879945.db2.gz CQZFMXLVOBWYFD-IYBDPMFKSA-N 1 3 293.455 2.501 20 30 CFEDHO N#Cc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595901226 349765557 /nfs/dbraw/zinc/76/55/57/349765557.db2.gz SMBFJJBYJPKBQT-SFHVURJKSA-N 1 3 283.419 2.770 20 30 CFEDHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000596653380 349969430 /nfs/dbraw/zinc/96/94/30/349969430.db2.gz KEIPIFMXRKWPJV-CVEARBPZSA-N 1 3 259.397 2.972 20 30 CFEDHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(C#N)cc1 ZINC000596648163 349967619 /nfs/dbraw/zinc/96/76/19/349967619.db2.gz KCGLGMBFZXAYJG-OAHLLOKOSA-N 1 3 257.381 2.870 20 30 CFEDHO C=CCCOCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090883877 347560960 /nfs/dbraw/zinc/56/09/60/347560960.db2.gz AZSKVNMHLJTQHW-UHFFFAOYSA-N 1 3 280.456 2.966 20 30 CFEDHO N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000591573338 349031234 /nfs/dbraw/zinc/03/12/34/349031234.db2.gz NGCDSIBCAMPHOT-DZGCQCFKSA-N 1 3 277.799 2.819 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000591582698 349032725 /nfs/dbraw/zinc/03/27/25/349032725.db2.gz UMISWNIJIVQPTN-SLTAFYQDSA-N 1 3 261.413 2.723 20 30 CFEDHO C[C@@H]1CCCN(Cc2ccccc2C#N)[C@@H]1CCC[NH3+] ZINC000598681604 350310085 /nfs/dbraw/zinc/31/00/85/350310085.db2.gz HQBZWACUTBCUQL-RHSMWYFYSA-N 1 3 271.408 2.898 20 30 CFEDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599070158 350370247 /nfs/dbraw/zinc/37/02/47/350370247.db2.gz LTJNHDJNFVFECB-HOCLYGCPSA-N 1 3 271.408 2.941 20 30 CFEDHO CCCN(Cc1ccc(C)c(C#N)c1)C1CC[NH2+]CC1 ZINC000600706434 350598140 /nfs/dbraw/zinc/59/81/40/350598140.db2.gz DIWKRENMEUNGSU-UHFFFAOYSA-N 1 3 271.408 2.831 20 30 CFEDHO CCC[N@H+](Cc1ccc(C)c(C#N)c1)C1CCNCC1 ZINC000600706434 350598142 /nfs/dbraw/zinc/59/81/42/350598142.db2.gz DIWKRENMEUNGSU-UHFFFAOYSA-N 1 3 271.408 2.831 20 30 CFEDHO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)C1CCNCC1 ZINC000600706434 350598145 /nfs/dbraw/zinc/59/81/45/350598145.db2.gz DIWKRENMEUNGSU-UHFFFAOYSA-N 1 3 271.408 2.831 20 30 CFEDHO C[NH2+]CCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000600705820 350598320 /nfs/dbraw/zinc/59/83/20/350598320.db2.gz AZIOBTBIHWRLIK-UHFFFAOYSA-N 1 3 271.408 2.688 20 30 CFEDHO Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C#N ZINC000600709411 350598969 /nfs/dbraw/zinc/59/89/69/350598969.db2.gz JAAQELNSYRARPP-SFHVURJKSA-N 1 3 283.419 2.831 20 30 CFEDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602502205 350907200 /nfs/dbraw/zinc/90/72/00/350907200.db2.gz JPWNNOHTIPFPRX-QQFBHYJXSA-N 1 3 263.429 2.923 20 30 CFEDHO N#CC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000602714084 350995397 /nfs/dbraw/zinc/99/53/97/350995397.db2.gz FVXOIOYHOKGEJJ-WIHSUSGWSA-N 1 3 275.440 2.780 20 30 CFEDHO C[C@H](CC[NH2+]C[C@@H](C)CCC#N)N1CCCCC1 ZINC000602609075 350944156 /nfs/dbraw/zinc/94/41/56/350944156.db2.gz QSUVGKOIZRPQKH-LSDHHAIUSA-N 1 3 251.418 2.780 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000602609073 350944436 /nfs/dbraw/zinc/94/44/36/350944436.db2.gz QSUVGKOIZRPQKH-GJZGRUSLSA-N 1 3 251.418 2.780 20 30 CFEDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167586 352056289 /nfs/dbraw/zinc/05/62/89/352056289.db2.gz USBNLADMRMHADO-INIZCTEOSA-N 1 3 285.435 2.871 20 30 CFEDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167586 352056296 /nfs/dbraw/zinc/05/62/96/352056296.db2.gz USBNLADMRMHADO-INIZCTEOSA-N 1 3 285.435 2.871 20 30 CFEDHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000271642992 191255152 /nfs/dbraw/zinc/25/51/52/191255152.db2.gz HJQIATWPVOMIGH-BBRMVZONSA-N 1 3 257.381 2.693 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000294945867 199264692 /nfs/dbraw/zinc/26/46/92/199264692.db2.gz IHKUUWVSAJAXPJ-ZDUSSCGKSA-N 1 3 287.432 2.902 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000294945867 199264693 /nfs/dbraw/zinc/26/46/93/199264693.db2.gz IHKUUWVSAJAXPJ-ZDUSSCGKSA-N 1 3 287.432 2.902 20 30 CFEDHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256844 238312374 /nfs/dbraw/zinc/31/23/74/238312374.db2.gz GHNNGBRMVZHLBW-OLZOCXBDSA-N 1 3 275.371 2.738 20 30 CFEDHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000092043730 375082853 /nfs/dbraw/zinc/08/28/53/375082853.db2.gz YBOOYAPTXKSVGM-HUUCEWRRSA-N 1 3 263.429 2.732 20 30 CFEDHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000092043730 375082861 /nfs/dbraw/zinc/08/28/61/375082861.db2.gz YBOOYAPTXKSVGM-HUUCEWRRSA-N 1 3 263.429 2.732 20 30 CFEDHO CC(C)(CCC#N)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604642 375271633 /nfs/dbraw/zinc/27/16/33/375271633.db2.gz ZFGJSXKQCBZPBZ-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(CCC#N)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000093604642 375271638 /nfs/dbraw/zinc/27/16/38/375271638.db2.gz ZFGJSXKQCBZPBZ-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(CCC#N)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000093604642 375271643 /nfs/dbraw/zinc/27/16/43/375271643.db2.gz ZFGJSXKQCBZPBZ-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174272723 379856116 /nfs/dbraw/zinc/85/61/16/379856116.db2.gz YKLKVHXZZKJABN-AWEZNQCLSA-N 1 3 275.396 2.753 20 30 CFEDHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174272723 379856117 /nfs/dbraw/zinc/85/61/17/379856117.db2.gz YKLKVHXZZKJABN-AWEZNQCLSA-N 1 3 275.396 2.753 20 30 CFEDHO CC(C)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000403988059 380897572 /nfs/dbraw/zinc/89/75/72/380897572.db2.gz CPEBDBHRXUEOEZ-UHFFFAOYSA-N 1 3 275.371 2.660 20 30 CFEDHO C=C(CC)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358515267 380899468 /nfs/dbraw/zinc/89/94/68/380899468.db2.gz XTFSNFJEBVIIIN-HOTGVXAUSA-N 1 3 280.456 2.774 20 30 CFEDHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358592909 380955491 /nfs/dbraw/zinc/95/54/91/380955491.db2.gz QYXKWSIAINQOQQ-GFCCVEGCSA-N 1 3 275.371 2.690 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)C(C)C ZINC000360036984 381743650 /nfs/dbraw/zinc/74/36/50/381743650.db2.gz ICEACAKMFIDFCI-FGTMMUONSA-N 1 3 293.499 2.615 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000360036996 381744274 /nfs/dbraw/zinc/74/42/74/381744274.db2.gz ICEACAKMFIDFCI-RCCFBDPRSA-N 1 3 293.499 2.615 20 30 CFEDHO C[NH+](C)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349826872 381993501 /nfs/dbraw/zinc/99/35/01/381993501.db2.gz FIDNUABOUARXCY-JKSUJKDBSA-N 1 3 257.381 2.530 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000345812537 382314746 /nfs/dbraw/zinc/31/47/46/382314746.db2.gz ICKPXTXFUOVIQW-OAHLLOKOSA-N 1 3 299.418 2.694 20 30 CFEDHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(CCC#N)CC1 ZINC000399433621 382639162 /nfs/dbraw/zinc/63/91/62/382639162.db2.gz ZRFIRBKLODZTSJ-MRXNPFEDSA-N 1 3 263.429 2.877 20 30 CFEDHO C[N@H+]1CCCC[C@@H]1CCN1CCC(CCC#N)CC1 ZINC000399433621 382639164 /nfs/dbraw/zinc/63/91/64/382639164.db2.gz ZRFIRBKLODZTSJ-MRXNPFEDSA-N 1 3 263.429 2.877 20 30 CFEDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442764202 382952904 /nfs/dbraw/zinc/95/29/04/382952904.db2.gz CNNBIDMYUTXCSQ-WMLDXEAASA-N 1 3 271.408 2.920 20 30 CFEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442764202 382952907 /nfs/dbraw/zinc/95/29/07/382952907.db2.gz CNNBIDMYUTXCSQ-WMLDXEAASA-N 1 3 271.408 2.920 20 30 CFEDHO CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782964 382992462 /nfs/dbraw/zinc/99/24/62/382992462.db2.gz HJACMNKKCRVMSX-CABCVRRESA-N 1 3 263.429 2.780 20 30 CFEDHO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)CN1CCCC1 ZINC000446782964 382992468 /nfs/dbraw/zinc/99/24/68/382992468.db2.gz HJACMNKKCRVMSX-CABCVRRESA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCOc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000582424523 383087918 /nfs/dbraw/zinc/08/79/18/383087918.db2.gz MZPGQUUQYCVAOE-UHFFFAOYSA-N 1 3 274.408 2.812 20 30 CFEDHO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)CN1CCCC1 ZINC000449090337 383171245 /nfs/dbraw/zinc/17/12/45/383171245.db2.gz NAWCDHYOGWOCOT-QQFBHYJXSA-N 1 3 263.429 2.780 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000436279951 383799264 /nfs/dbraw/zinc/79/92/64/383799264.db2.gz AQECMVWVSUHRMZ-HOCLYGCPSA-N 1 3 280.456 2.820 20 30 CFEDHO C#Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000289356811 197309689 /nfs/dbraw/zinc/30/96/89/197309689.db2.gz YDZQLLGFUPMWKI-UHFFFAOYSA-N 1 3 270.420 2.878 20 30 CFEDHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482263 533389646 /nfs/dbraw/zinc/38/96/46/533389646.db2.gz OWCRJMUXNXXMOB-OCCSQVGLSA-N 1 3 275.371 2.880 20 30 CFEDHO CC[N@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC(C)C ZINC000359012081 394120222 /nfs/dbraw/zinc/12/02/22/394120222.db2.gz LDRMDNRQSILBMP-OAHLLOKOSA-N 1 3 293.455 2.753 20 30 CFEDHO CC[N@@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC(C)C ZINC000359012081 394120227 /nfs/dbraw/zinc/12/02/27/394120227.db2.gz LDRMDNRQSILBMP-OAHLLOKOSA-N 1 3 293.455 2.753 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360777258 394158739 /nfs/dbraw/zinc/15/87/39/394158739.db2.gz KPHRVMQUNUXHOH-PMPSAXMXSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360777258 394158745 /nfs/dbraw/zinc/15/87/45/394158745.db2.gz KPHRVMQUNUXHOH-PMPSAXMXSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360777255 394159080 /nfs/dbraw/zinc/15/90/80/394159080.db2.gz KPHRVMQUNUXHOH-OAGGEKHMSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360777255 394159082 /nfs/dbraw/zinc/15/90/82/394159082.db2.gz KPHRVMQUNUXHOH-OAGGEKHMSA-N 1 3 275.440 2.732 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000154319410 394296508 /nfs/dbraw/zinc/29/65/08/394296508.db2.gz XBXAMWVBRSKKGI-DVOMOZLQSA-N 1 3 257.381 2.692 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000154319410 394296511 /nfs/dbraw/zinc/29/65/11/394296511.db2.gz XBXAMWVBRSKKGI-DVOMOZLQSA-N 1 3 257.381 2.692 20 30 CFEDHO C#C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000297301326 394313986 /nfs/dbraw/zinc/31/39/86/394313986.db2.gz BEYAEZPBLOYUGW-MRXNPFEDSA-N 1 3 271.408 2.688 20 30 CFEDHO CC[NH+](CC)CCC[C@H](C)NCc1nc(C#N)cs1 ZINC000352838063 163247421 /nfs/dbraw/zinc/24/74/21/163247421.db2.gz DMCWUMANEXCMSU-LBPRGKRZSA-N 1 3 280.441 2.615 20 30 CFEDHO C=CCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000657582826 413768323 /nfs/dbraw/zinc/76/83/23/413768323.db2.gz IIHPEFIBHSNWKA-UHFFFAOYSA-N 1 3 287.451 2.884 20 30 CFEDHO N#C[C@H]1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000192700051 227267718 /nfs/dbraw/zinc/26/77/18/227267718.db2.gz XAXHKRCRWGEROP-HOCLYGCPSA-N 1 3 261.413 2.533 20 30 CFEDHO C#CCOc1ccccc1CNCCC1CC[NH+](C)CC1 ZINC000105455047 261359704 /nfs/dbraw/zinc/35/97/04/261359704.db2.gz LPSPUMATNJKONQ-UHFFFAOYSA-N 1 3 286.419 2.520 20 30 CFEDHO C=CCOCCN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000339095037 262597217 /nfs/dbraw/zinc/59/72/17/262597217.db2.gz FBTUODBEQSHCPV-HOTGVXAUSA-N 1 3 268.445 2.679 20 30 CFEDHO C=CCOCC[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000339095037 262597218 /nfs/dbraw/zinc/59/72/18/262597218.db2.gz FBTUODBEQSHCPV-HOTGVXAUSA-N 1 3 268.445 2.679 20 30 CFEDHO N#CCCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000273197249 263013741 /nfs/dbraw/zinc/01/37/41/263013741.db2.gz IDNNXEXUJULRMN-UHFFFAOYSA-N 1 3 271.408 2.587 20 30 CFEDHO C[C@@H]1CCCCN1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288693173 263105566 /nfs/dbraw/zinc/10/55/66/263105566.db2.gz KFDUFHMROSMWPG-LLVKDONJSA-N 1 3 296.365 2.566 20 30 CFEDHO C=CCOc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415059044 263258786 /nfs/dbraw/zinc/25/87/86/263258786.db2.gz WTSDOXQIBQSAAK-RHSMWYFYSA-N 1 3 274.408 2.668 20 30 CFEDHO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415059044 263258788 /nfs/dbraw/zinc/25/87/88/263258788.db2.gz WTSDOXQIBQSAAK-RHSMWYFYSA-N 1 3 274.408 2.668 20 30 CFEDHO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415059044 263258790 /nfs/dbraw/zinc/25/87/90/263258790.db2.gz WTSDOXQIBQSAAK-RHSMWYFYSA-N 1 3 274.408 2.668 20 30 CFEDHO C[N@H+](CCCC#N)CC1CCN(c2ccncc2)CC1 ZINC000367888847 267124958 /nfs/dbraw/zinc/12/49/58/267124958.db2.gz ZCRGROJWEGFJTA-UHFFFAOYSA-N 1 3 272.396 2.534 20 30 CFEDHO C[N@@H+](CCCC#N)CC1CCN(c2ccncc2)CC1 ZINC000367888847 267124961 /nfs/dbraw/zinc/12/49/61/267124961.db2.gz ZCRGROJWEGFJTA-UHFFFAOYSA-N 1 3 272.396 2.534 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000253146442 281079439 /nfs/dbraw/zinc/07/94/39/281079439.db2.gz KBNWOZUEBRWMPR-ZBFHGGJFSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000253146442 281079442 /nfs/dbraw/zinc/07/94/42/281079442.db2.gz KBNWOZUEBRWMPR-ZBFHGGJFSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423389299 288323031 /nfs/dbraw/zinc/32/30/31/288323031.db2.gz JHAWCMHCXBTZCD-JEBQAFNWSA-N 1 3 283.419 2.913 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119669003 328307630 /nfs/dbraw/zinc/30/76/30/328307630.db2.gz SFVJZVURBPJVTQ-HNNXBMFYSA-N 1 3 298.430 2.976 20 30 CFEDHO N#Cc1ccccc1OC1CCC([NH2+]C2CCNCC2)CC1 ZINC000570953477 322561563 /nfs/dbraw/zinc/56/15/63/322561563.db2.gz BKHXGOQPOPPDGI-UHFFFAOYSA-N 1 3 299.418 2.590 20 30 CFEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174273137 323646540 /nfs/dbraw/zinc/64/65/40/323646540.db2.gz OJSZOTPTZFQBLX-HUUCEWRRSA-N 1 3 289.423 2.999 20 30 CFEDHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185760165 329331325 /nfs/dbraw/zinc/33/13/25/329331325.db2.gz QBWIYNILTVIJAA-IRXDYDNUSA-N 1 3 271.408 2.920 20 30 CFEDHO C=CCSCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261589267 329971968 /nfs/dbraw/zinc/97/19/68/329971968.db2.gz WFBNVGALKRXKOH-RRFJBIMHSA-N 1 3 268.470 2.806 20 30 CFEDHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000423296571 330188760 /nfs/dbraw/zinc/18/87/60/330188760.db2.gz ZLFUYYSAOOPWAT-DUVNUKRYSA-N 1 3 257.381 2.878 20 30 CFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012208 335171200 /nfs/dbraw/zinc/17/12/00/335171200.db2.gz GRXXAWWBSLBVGL-KGLIPLIRSA-N 1 3 251.418 2.779 20 30 CFEDHO C=CCOc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347113284 526866125 /nfs/dbraw/zinc/86/61/25/526866125.db2.gz RPQVQQZAWKNQGP-AWEZNQCLSA-N 1 3 274.408 2.811 20 30 CFEDHO C#CCOc1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC000113315238 527103857 /nfs/dbraw/zinc/10/38/57/527103857.db2.gz POEHXRMEYILNHD-UHFFFAOYSA-N 1 3 286.419 2.663 20 30 CFEDHO CC(C)N1CCC([NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000034996620 617607738 /nfs/dbraw/zinc/60/77/38/617607738.db2.gz MCWUPNIQHFXFMA-UHFFFAOYSA-N 1 3 287.407 2.551 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NCCN(C)C2CCCCC2)c1 ZINC000104168516 617952384 /nfs/dbraw/zinc/95/23/84/617952384.db2.gz AZZPOEPEUXLCBR-UHFFFAOYSA-N 1 3 288.439 2.986 20 30 CFEDHO C=CCOCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926703134 618455328 /nfs/dbraw/zinc/45/53/28/618455328.db2.gz KHKPAGLZBXPXGE-UHFFFAOYSA-N 1 3 268.445 2.679 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000903458614 621379817 /nfs/dbraw/zinc/37/98/17/621379817.db2.gz FOHBNNDXWMKXBS-MLGOLLRUSA-N 1 3 271.408 2.592 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000903425129 621379942 /nfs/dbraw/zinc/37/99/42/621379942.db2.gz TYZPMBZYSUYHMI-ZBFHGGJFSA-N 1 3 271.408 2.734 20 30 CFEDHO CC[C@H]1CN(Cc2c(C)cc(C#N)cc2C)CC[C@H]1[NH3+] ZINC000903449818 621386156 /nfs/dbraw/zinc/38/61/56/621386156.db2.gz HMVJBQBBYONKHM-DOTOQJQBSA-N 1 3 271.408 2.734 20 30 CFEDHO CC1(C)CNCC[C@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903753517 621433201 /nfs/dbraw/zinc/43/32/01/621433201.db2.gz VNQDYRVGXPVZJZ-CQSZACIVSA-N 1 3 263.429 2.828 20 30 CFEDHO C#CCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852116264 634662623 /nfs/dbraw/zinc/66/26/23/634662623.db2.gz MAFSEGXNFLSZER-UHFFFAOYSA-N 1 3 256.393 2.654 20 30 CFEDHO C[C@H]1CCC[C@](CNC(=[NH2+])NC2CCCCC2)(N(C)C)C1 ZINC000203056320 637379036 /nfs/dbraw/zinc/37/90/36/637379036.db2.gz MCPYXUUAMIVSOH-YOEHRIQHSA-N 1 3 294.487 2.734 20 30 CFEDHO CC(=NNc1ccnc(C)c1)c1ccc(C[NH+](C)C)cc1 ZINC000863159416 637573854 /nfs/dbraw/zinc/57/38/54/637573854.db2.gz QGWGWGUTARHGEA-UHFFFAOYSA-N 1 3 282.391 2.710 20 30 CFEDHO C#CCCCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000878162438 643769379 /nfs/dbraw/zinc/76/93/79/643769379.db2.gz NGVCHDXBCYNRBD-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000878162438 643769384 /nfs/dbraw/zinc/76/93/84/643769384.db2.gz NGVCHDXBCYNRBD-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO C=CCN(C)Cc1cc(C#N)cc(C[N@H+](C)CC=C)c1 ZINC000878462767 643904361 /nfs/dbraw/zinc/90/43/61/643904361.db2.gz XZLWDDPEMQZXRI-UHFFFAOYSA-N 1 3 269.392 2.794 20 30 CFEDHO C=CCN(C)Cc1cc(C#N)cc(C[N@@H+](C)CC=C)c1 ZINC000878462767 643904362 /nfs/dbraw/zinc/90/43/62/643904362.db2.gz XZLWDDPEMQZXRI-UHFFFAOYSA-N 1 3 269.392 2.794 20 30 CFEDHO CCCC[C@@H](CC)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303713802 650999298 /nfs/dbraw/zinc/99/92/98/650999298.db2.gz QYUOVLZLPMYSQD-HUUCEWRRSA-N 1 3 282.476 2.591 20 30 CFEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](CC)N2CCCC2)c1 ZINC000303876169 651005140 /nfs/dbraw/zinc/00/51/40/651005140.db2.gz DSUYIGUENLQHEE-MRXNPFEDSA-N 1 3 288.439 2.850 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CCC)C1)[C@H]1CCCO1 ZINC000883175461 645641455 /nfs/dbraw/zinc/64/14/55/645641455.db2.gz HXIXAVBCTHWPLW-IXDOHACOSA-N 1 3 280.456 2.822 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1CCCC1 ZINC000305269140 651056542 /nfs/dbraw/zinc/05/65/42/651056542.db2.gz WZGZVRYLAFGNHH-OAHLLOKOSA-N 1 3 294.487 2.591 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925654236 648263755 /nfs/dbraw/zinc/26/37/55/648263755.db2.gz FFTGCQFJPZFKCI-BDXSIMOUSA-N 1 3 292.467 2.726 20 30 CFEDHO N#Cc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925714326 648292423 /nfs/dbraw/zinc/29/24/23/648292423.db2.gz PZTZPPCNTVKQON-RBUKOAKNSA-N 1 3 297.446 2.859 20 30 CFEDHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000926962937 648673268 /nfs/dbraw/zinc/67/32/68/648673268.db2.gz AKCRUMTYHQCPKV-WMLDXEAASA-N 1 3 271.408 2.687 20 30 CFEDHO CCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235404054 778478031 /nfs/dbraw/zinc/47/80/31/778478031.db2.gz MBOXFDQXZXPBCI-LSDHHAIUSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235404054 778478033 /nfs/dbraw/zinc/47/80/33/778478033.db2.gz MBOXFDQXZXPBCI-LSDHHAIUSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404054 778478037 /nfs/dbraw/zinc/47/80/37/778478037.db2.gz MBOXFDQXZXPBCI-LSDHHAIUSA-N 1 3 256.409 2.980 20 30 CFEDHO C=CC[N@H+](Cc1ccc2n1CCNC2)C1CCCCC1 ZINC001236434385 778828057 /nfs/dbraw/zinc/82/80/57/778828057.db2.gz RTCMVQCWXBFLIO-UHFFFAOYSA-N 1 3 273.424 2.912 20 30 CFEDHO C=CC[N@@H+](Cc1ccc2n1CCNC2)C1CCCCC1 ZINC001236434385 778828063 /nfs/dbraw/zinc/82/80/63/778828063.db2.gz RTCMVQCWXBFLIO-UHFFFAOYSA-N 1 3 273.424 2.912 20 30 CFEDHO N#C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595070508 349573362 /nfs/dbraw/zinc/57/33/62/349573362.db2.gz VKFUHFRQOZKQFR-ZWKOTPCHSA-N 1 3 298.434 2.575 20 30 CFEDHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344437 349606667 /nfs/dbraw/zinc/60/66/67/349606667.db2.gz FICHUYMVGPZIIO-MSOLQXFVSA-N 1 3 283.419 2.517 20 30 CFEDHO C[N@H+]1CCC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344437 349606669 /nfs/dbraw/zinc/60/66/69/349606669.db2.gz FICHUYMVGPZIIO-MSOLQXFVSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344437 349606670 /nfs/dbraw/zinc/60/66/70/349606670.db2.gz FICHUYMVGPZIIO-MSOLQXFVSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344437 349606673 /nfs/dbraw/zinc/60/66/73/349606673.db2.gz FICHUYMVGPZIIO-MSOLQXFVSA-N 1 3 283.419 2.517 20 30 CFEDHO CN(C)CCC[N@H+](C)CCNc1cccc(Cl)c1C#N ZINC000596425173 349899338 /nfs/dbraw/zinc/89/93/38/349899338.db2.gz OCMJPNNJNLFDNN-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO CN(C)CCC[N@@H+](C)CCNc1cccc(Cl)c1C#N ZINC000596425173 349899340 /nfs/dbraw/zinc/89/93/40/349899340.db2.gz OCMJPNNJNLFDNN-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO C=CCCC[C@@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559209 347592947 /nfs/dbraw/zinc/59/29/47/347592947.db2.gz KOBJOYIIVCTJAB-QZTJIDSGSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCC[C@@H](C)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000091559209 347592950 /nfs/dbraw/zinc/59/29/50/347592950.db2.gz KOBJOYIIVCTJAB-QZTJIDSGSA-N 1 3 293.499 2.833 20 30 CFEDHO CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000589344083 348828416 /nfs/dbraw/zinc/82/84/16/348828416.db2.gz UNEJEJWTKBTVFU-QLFBSQMISA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000589344083 348828418 /nfs/dbraw/zinc/82/84/18/348828418.db2.gz UNEJEJWTKBTVFU-QLFBSQMISA-N 1 3 251.418 2.779 20 30 CFEDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581401 349032756 /nfs/dbraw/zinc/03/27/56/349032756.db2.gz VHKXEOORPQKXQU-OAUYIBNBSA-N 1 3 269.392 2.523 20 30 CFEDHO C[N@@H+]1C[C@@H](CN[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401966 349117230 /nfs/dbraw/zinc/11/72/30/349117230.db2.gz FLSNTYLQBKHCOK-HPBDAGMYSA-N 1 3 283.419 2.614 20 30 CFEDHO C[N@H+]1C[C@@H](CN[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401966 349117232 /nfs/dbraw/zinc/11/72/32/349117232.db2.gz FLSNTYLQBKHCOK-HPBDAGMYSA-N 1 3 283.419 2.614 20 30 CFEDHO N#Cc1ccccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000598681546 350310189 /nfs/dbraw/zinc/31/01/89/350310189.db2.gz GUULLVRMBXEMEQ-QGZVFWFLSA-N 1 3 283.419 2.770 20 30 CFEDHO N#CCc1cccc2c1CCN(CCCC1CC[NH2+]CC1)C2 ZINC000600751075 350605955 /nfs/dbraw/zinc/60/59/55/350605955.db2.gz PHZURHNQGFHFCK-UHFFFAOYSA-N 1 3 297.446 2.891 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000602477584 350899005 /nfs/dbraw/zinc/89/90/05/350899005.db2.gz TUIWZCZNTPQZPQ-HZPDHXFCSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000602477584 350899006 /nfs/dbraw/zinc/89/90/06/350899006.db2.gz TUIWZCZNTPQZPQ-HZPDHXFCSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H](CCC#N)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602477584 350899007 /nfs/dbraw/zinc/89/90/07/350899007.db2.gz TUIWZCZNTPQZPQ-HZPDHXFCSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H](C[NH2+]C1CCC(C#N)CC1)CN1CCCCC1 ZINC000602517264 350911855 /nfs/dbraw/zinc/91/18/55/350911855.db2.gz DQSVRAMRCHGKOG-QQFBHYJXSA-N 1 3 263.429 2.780 20 30 CFEDHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602575978 350930372 /nfs/dbraw/zinc/93/03/72/350930372.db2.gz ZNUCXRUIROEDBK-HOTGVXAUSA-N 1 3 265.445 2.884 20 30 CFEDHO CC[NH+](CC)C[C@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000602474290 350896144 /nfs/dbraw/zinc/89/61/44/350896144.db2.gz GHZMVZCOUXOMAA-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602474290 350896148 /nfs/dbraw/zinc/89/61/48/350896148.db2.gz GHZMVZCOUXOMAA-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602474290 350896151 /nfs/dbraw/zinc/89/61/51/350896151.db2.gz GHZMVZCOUXOMAA-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO C[C@@H](NCC1(CC#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812592 351035237 /nfs/dbraw/zinc/03/52/37/351035237.db2.gz UEZHJXMGPGBSSV-HUUCEWRRSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@@H](NCC1(CC#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602812592 351035241 /nfs/dbraw/zinc/03/52/41/351035241.db2.gz UEZHJXMGPGBSSV-HUUCEWRRSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000602812592 351035243 /nfs/dbraw/zinc/03/52/43/351035243.db2.gz UEZHJXMGPGBSSV-HUUCEWRRSA-N 1 3 275.440 2.923 20 30 CFEDHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391172 351680616 /nfs/dbraw/zinc/68/06/16/351680616.db2.gz YOBVIBWIYGUGNM-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391172 351680618 /nfs/dbraw/zinc/68/06/18/351680618.db2.gz YOBVIBWIYGUGNM-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391172 351680621 /nfs/dbraw/zinc/68/06/21/351680621.db2.gz YOBVIBWIYGUGNM-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277190 238335930 /nfs/dbraw/zinc/33/59/30/238335930.db2.gz NWDXPEJGZBQBAA-HZUKXOBISA-N 1 3 275.371 2.865 20 30 CFEDHO C[NH+](C)CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000092381323 375105962 /nfs/dbraw/zinc/10/59/62/375105962.db2.gz LBVHWMHAULVNIX-UHFFFAOYSA-N 1 3 277.437 2.783 20 30 CFEDHO CC[NH+](CC)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093693996 375299290 /nfs/dbraw/zinc/29/92/90/375299290.db2.gz DOFZODBOOOKMAS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093693996 375299297 /nfs/dbraw/zinc/29/92/97/375299297.db2.gz DOFZODBOOOKMAS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093693996 375299303 /nfs/dbraw/zinc/29/93/03/375299303.db2.gz DOFZODBOOOKMAS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CC(C)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135672055 378154540 /nfs/dbraw/zinc/15/45/40/378154540.db2.gz IKYXSBSEFMUDAC-UHFFFAOYSA-N 1 3 263.410 2.582 20 30 CFEDHO CC[NH+]1CCC(N[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000334420484 379268648 /nfs/dbraw/zinc/26/86/48/379268648.db2.gz QVMPVIBLCHZZEU-KRWDZBQOSA-N 1 3 269.392 2.619 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358425175 380838611 /nfs/dbraw/zinc/83/86/11/380838611.db2.gz LDQVWBBBDZNQHV-GJZGRUSLSA-N 1 3 291.439 2.649 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358425175 380838619 /nfs/dbraw/zinc/83/86/19/380838619.db2.gz LDQVWBBBDZNQHV-GJZGRUSLSA-N 1 3 291.439 2.649 20 30 CFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000181875207 380923132 /nfs/dbraw/zinc/92/31/32/380923132.db2.gz RSZVKTJLMZENIT-PBHICJAKSA-N 1 3 289.423 2.566 20 30 CFEDHO C=CCC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000185206950 381564598 /nfs/dbraw/zinc/56/45/98/381564598.db2.gz SAKFEGJEVSCZAY-ARFHVFGLSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000360036991 381744109 /nfs/dbraw/zinc/74/41/09/381744109.db2.gz ICEACAKMFIDFCI-OKZBNKHCSA-N 1 3 293.499 2.615 20 30 CFEDHO C=CCN(C[C@@H](O)C[N@@H+](C)C1CC1)CC1CCCCC1 ZINC000351494173 382039601 /nfs/dbraw/zinc/03/96/01/382039601.db2.gz NSOPOQQDUYEHRA-KRWDZBQOSA-N 1 3 280.456 2.510 20 30 CFEDHO C=CCN(C[C@@H](O)C[N@H+](C)C1CC1)CC1CCCCC1 ZINC000351494173 382039608 /nfs/dbraw/zinc/03/96/08/382039608.db2.gz NSOPOQQDUYEHRA-KRWDZBQOSA-N 1 3 280.456 2.510 20 30 CFEDHO CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000344106862 382133844 /nfs/dbraw/zinc/13/38/44/382133844.db2.gz UNEJEJWTKBTVFU-RRFJBIMHSA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000344106862 382133850 /nfs/dbraw/zinc/13/38/50/382133850.db2.gz UNEJEJWTKBTVFU-RRFJBIMHSA-N 1 3 251.418 2.779 20 30 CFEDHO C=CCOCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352145 382313559 /nfs/dbraw/zinc/31/35/59/382313559.db2.gz IYQXDWXBJRTVAE-SJLPKXTDSA-N 1 3 288.435 2.689 20 30 CFEDHO C=CCOCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364352145 382313568 /nfs/dbraw/zinc/31/35/68/382313568.db2.gz IYQXDWXBJRTVAE-SJLPKXTDSA-N 1 3 288.435 2.689 20 30 CFEDHO CC1CCN(C(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC000303358400 382356785 /nfs/dbraw/zinc/35/67/85/382356785.db2.gz AJVHLBUXRGQAPR-NVXWUHKLSA-N 1 3 294.487 2.544 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000189086837 382539451 /nfs/dbraw/zinc/53/94/51/382539451.db2.gz KBNWOZUEBRWMPR-GOEBONIOSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000189086837 382539455 /nfs/dbraw/zinc/53/94/55/382539455.db2.gz KBNWOZUEBRWMPR-GOEBONIOSA-N 1 3 271.408 2.893 20 30 CFEDHO C=CCOc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346859992 382548443 /nfs/dbraw/zinc/54/84/43/382548443.db2.gz ZUIWNMOXIBYOSW-UAGQMJEPSA-N 1 3 286.419 2.811 20 30 CFEDHO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000358304319 382557865 /nfs/dbraw/zinc/55/78/65/382557865.db2.gz RRHHFPXZRAVCQM-KBPBESRZSA-N 1 3 262.397 2.852 20 30 CFEDHO CC[N@H+](C)Cc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190955788 382686324 /nfs/dbraw/zinc/68/63/24/382686324.db2.gz MJJAXZLOJIXACR-UHFFFAOYSA-N 1 3 296.418 2.638 20 30 CFEDHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190955788 382686325 /nfs/dbraw/zinc/68/63/25/382686325.db2.gz MJJAXZLOJIXACR-UHFFFAOYSA-N 1 3 296.418 2.638 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000192700069 382711359 /nfs/dbraw/zinc/71/13/59/382711359.db2.gz XAXHKRCRWGEROP-ZBFHGGJFSA-N 1 3 261.413 2.533 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442712596 382947742 /nfs/dbraw/zinc/94/77/42/382947742.db2.gz UZJVALKBNYRANP-BBRMVZONSA-N 1 3 257.381 2.530 20 30 CFEDHO C[C@H](C[C@H](C)[NH3+])NCCSCc1ccccc1C#N ZINC000422986128 382997431 /nfs/dbraw/zinc/99/74/31/382997431.db2.gz GJPMXTGCZONXCI-QWHCGFSZSA-N 1 3 277.437 2.507 20 30 CFEDHO CCN(CC)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449222930 383185228 /nfs/dbraw/zinc/18/52/28/383185228.db2.gz XAYZAJGGGVVJJP-UHFFFAOYSA-N 1 3 251.418 2.780 20 30 CFEDHO C=CCCCC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449302175 383208429 /nfs/dbraw/zinc/20/84/29/383208429.db2.gz JKODMOAXMGBLEL-INIZCTEOSA-N 1 3 281.488 2.737 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCC[C@H](C#N)C1 ZINC000248859598 383299256 /nfs/dbraw/zinc/29/92/56/383299256.db2.gz PPNBTWFAUSMTMS-PMPSAXMXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[C@H](C#N)C1 ZINC000248859598 383299260 /nfs/dbraw/zinc/29/92/60/383299260.db2.gz PPNBTWFAUSMTMS-PMPSAXMXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248859598 383299262 /nfs/dbraw/zinc/29/92/62/383299262.db2.gz PPNBTWFAUSMTMS-PMPSAXMXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CN1CCCCC1 ZINC000248899435 383305230 /nfs/dbraw/zinc/30/52/30/383305230.db2.gz UHEBXRXEWBCSMS-BZUAXINKSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCCC1 ZINC000248899435 383305232 /nfs/dbraw/zinc/30/52/32/383305232.db2.gz UHEBXRXEWBCSMS-BZUAXINKSA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449698406 383361585 /nfs/dbraw/zinc/36/15/85/383361585.db2.gz NJAMZLXIOFDJIQ-KBAYOESNSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449698406 383361589 /nfs/dbraw/zinc/36/15/89/383361589.db2.gz NJAMZLXIOFDJIQ-KBAYOESNSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471842827 383380026 /nfs/dbraw/zinc/38/00/26/383380026.db2.gz DKUUOEKKUWWCFN-DLBZAZTESA-N 1 3 258.409 2.845 20 30 CFEDHO CC#CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000680883083 542377901 /nfs/dbraw/zinc/37/79/01/542377901.db2.gz WZGFWGCJDXSNTP-UHFFFAOYSA-N 1 3 262.441 2.988 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289231445 197270399 /nfs/dbraw/zinc/27/03/99/197270399.db2.gz KFSBKEVOZYYROR-ZWKOTPCHSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289231445 197270401 /nfs/dbraw/zinc/27/04/01/197270401.db2.gz KFSBKEVOZYYROR-ZWKOTPCHSA-N 1 3 268.404 2.584 20 30 CFEDHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980029 385418039 /nfs/dbraw/zinc/41/80/39/385418039.db2.gz YNNMQATZZOTOIN-QWHCGFSZSA-N 1 3 287.382 2.832 20 30 CFEDHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1C#N ZINC000281604539 195305788 /nfs/dbraw/zinc/30/57/88/195305788.db2.gz GDNBLKGWXCWVRE-ALOPSCKCSA-N 1 3 299.418 2.672 20 30 CFEDHO CC#CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476991032 393963005 /nfs/dbraw/zinc/96/30/05/393963005.db2.gz YHDLXHIPVCIRGJ-INIZCTEOSA-N 1 3 262.441 2.986 20 30 CFEDHO CC#CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476991032 393963006 /nfs/dbraw/zinc/96/30/06/393963006.db2.gz YHDLXHIPVCIRGJ-INIZCTEOSA-N 1 3 262.441 2.986 20 30 CFEDHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000154319630 394296685 /nfs/dbraw/zinc/29/66/85/394296685.db2.gz XBXAMWVBRSKKGI-WWGRRREGSA-N 1 3 257.381 2.692 20 30 CFEDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000154319630 394296689 /nfs/dbraw/zinc/29/66/89/394296689.db2.gz XBXAMWVBRSKKGI-WWGRRREGSA-N 1 3 257.381 2.692 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000375792133 157286166 /nfs/dbraw/zinc/28/61/66/157286166.db2.gz PSOSDUNDIVBJMO-IXDOHACOSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000375792133 157286168 /nfs/dbraw/zinc/28/61/68/157286168.db2.gz PSOSDUNDIVBJMO-IXDOHACOSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000375792133 157286170 /nfs/dbraw/zinc/28/61/70/157286170.db2.gz PSOSDUNDIVBJMO-IXDOHACOSA-N 1 3 269.392 2.521 20 30 CFEDHO C=CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000658117719 414216123 /nfs/dbraw/zinc/21/61/23/414216123.db2.gz ZOPGEPGXXCKPAJ-AWEZNQCLSA-N 1 3 262.397 2.854 20 30 CFEDHO C=CCCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323139 414506926 /nfs/dbraw/zinc/50/69/26/414506926.db2.gz LNIMGSHDSAZENV-INIZCTEOSA-N 1 3 268.445 2.775 20 30 CFEDHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OCC#N)cc1 ZINC000037229418 260075970 /nfs/dbraw/zinc/07/59/70/260075970.db2.gz VJNWPLUMPUYCSU-OAHLLOKOSA-N 1 3 287.407 2.725 20 30 CFEDHO CC(C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000347126147 226036223 /nfs/dbraw/zinc/03/62/23/226036223.db2.gz CMHGKEKLLKGHIU-HNNXBMFYSA-N 1 3 299.418 2.517 20 30 CFEDHO CC(C#N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347126147 226036225 /nfs/dbraw/zinc/03/62/25/226036225.db2.gz CMHGKEKLLKGHIU-HNNXBMFYSA-N 1 3 299.418 2.517 20 30 CFEDHO CC[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCCC1 ZINC000288787996 263105970 /nfs/dbraw/zinc/10/59/70/263105970.db2.gz XHJXHVSNCWJXGN-LBPRGKRZSA-N 1 3 296.365 2.566 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000341876606 263360871 /nfs/dbraw/zinc/36/08/71/263360871.db2.gz NOKIJPTWPALRCO-HNNXBMFYSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CC[C@H](CO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000341876606 263360868 /nfs/dbraw/zinc/36/08/68/263360868.db2.gz NOKIJPTWPALRCO-HNNXBMFYSA-N 1 3 280.456 2.558 20 30 CFEDHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210414 288060255 /nfs/dbraw/zinc/06/02/55/288060255.db2.gz GETNAJYWDIPAAR-XKQJLSEDSA-N 1 3 271.408 2.987 20 30 CFEDHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270548 279533694 /nfs/dbraw/zinc/53/36/94/279533694.db2.gz GQVDZMJVMUYSGZ-MAZHCROVSA-N 1 3 257.381 2.726 20 30 CFEDHO CC1(C)CCC[NH2+][C@H]1CNC1CCC(C)(C#N)CC1 ZINC000335045150 281001858 /nfs/dbraw/zinc/00/18/58/281001858.db2.gz KZAOYHHLUMYLMO-BBBYJDLNSA-N 1 3 263.429 2.827 20 30 CFEDHO C#CCC[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000378321685 329045952 /nfs/dbraw/zinc/04/59/52/329045952.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 3 270.420 2.996 20 30 CFEDHO C#CCC[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000378321685 329045954 /nfs/dbraw/zinc/04/59/54/329045954.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 3 270.420 2.996 20 30 CFEDHO C[C@@H]1CN(CCC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000177491864 329184576 /nfs/dbraw/zinc/18/45/76/329184576.db2.gz WGXGMZBQPYYITI-IYBDPMFKSA-N 1 3 293.455 2.501 20 30 CFEDHO C[NH+](C)CC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185899630 329334706 /nfs/dbraw/zinc/33/47/06/329334706.db2.gz DOKYHCGAAQZHAU-CABCVRRESA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H](CCN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897912 329334721 /nfs/dbraw/zinc/33/47/21/329334721.db2.gz KZMWCLFREZXVLM-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCCCC1 ZINC000185897912 329334723 /nfs/dbraw/zinc/33/47/23/329334723.db2.gz KZMWCLFREZXVLM-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099774 330170121 /nfs/dbraw/zinc/17/01/21/330170121.db2.gz UHBLZHQWXMCWIZ-YYQUZTFQSA-N 1 3 272.392 2.702 20 30 CFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012257 335171189 /nfs/dbraw/zinc/17/11/89/335171189.db2.gz GRXXAWWBSLBVGL-UONOGXRCSA-N 1 3 251.418 2.779 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000134412795 334089887 /nfs/dbraw/zinc/08/98/87/334089887.db2.gz OWTZIRJOICMHQQ-YOEHRIQHSA-N 1 3 274.408 2.681 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000134412795 334089888 /nfs/dbraw/zinc/08/98/88/334089888.db2.gz OWTZIRJOICMHQQ-YOEHRIQHSA-N 1 3 274.408 2.681 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(C#N)c2)C1 ZINC000925608163 618300967 /nfs/dbraw/zinc/30/09/67/618300967.db2.gz ZVMZIGBEVOXDIB-GJZGRUSLSA-N 1 3 257.381 2.554 20 30 CFEDHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902821480 621181988 /nfs/dbraw/zinc/18/19/88/621181988.db2.gz ZDRFVSXQQJGSER-AWEZNQCLSA-N 1 3 286.423 2.726 20 30 CFEDHO N#CC1CCC(CN2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000903425262 621370222 /nfs/dbraw/zinc/37/02/22/621370222.db2.gz YVXWLVFUFNSAAN-UHFFFAOYSA-N 1 3 275.440 2.780 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000903458612 621380113 /nfs/dbraw/zinc/38/01/13/621380113.db2.gz FOHBNNDXWMKXBS-BLLLJJGKSA-N 1 3 271.408 2.592 20 30 CFEDHO N#Cc1cc(Cl)cc(CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000903450313 621386060 /nfs/dbraw/zinc/38/60/60/621386060.db2.gz UCISFRVOQOFXOI-GFCCVEGCSA-N 1 3 277.799 2.772 20 30 CFEDHO N#CC1(CCCCN2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000903746624 621431922 /nfs/dbraw/zinc/43/19/22/621431922.db2.gz IRQNQYFORSQZTP-KRWDZBQOSA-N 1 3 275.440 2.926 20 30 CFEDHO C=CCOc1cccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903955306 621490062 /nfs/dbraw/zinc/49/00/62/621490062.db2.gz OUWBTPYMJGFPIJ-AWEZNQCLSA-N 1 3 296.361 2.586 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911725189 622541599 /nfs/dbraw/zinc/54/15/99/622541599.db2.gz JJQPWZQKIBHOEY-OAGGEKHMSA-N 1 3 297.487 2.569 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000824988974 623601120 /nfs/dbraw/zinc/60/11/20/623601120.db2.gz WFRZTWOXHZGLPT-HZTRTUMWSA-N 1 3 299.418 2.692 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000237595619 624965094 /nfs/dbraw/zinc/96/50/94/624965094.db2.gz FXXRFETUDCQDRG-ZBFHGGJFSA-N 1 3 299.418 2.551 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000237596838 624965201 /nfs/dbraw/zinc/96/52/01/624965201.db2.gz FXXRFETUDCQDRG-GDBMZVCRSA-N 1 3 299.418 2.551 20 30 CFEDHO N#Cc1ccc(CN2CC[C@@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000923480216 626475981 /nfs/dbraw/zinc/47/59/81/626475981.db2.gz GGSGLZFOBPLMMP-LLVKDONJSA-N 1 3 297.324 2.748 20 30 CFEDHO C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC000923491955 626476675 /nfs/dbraw/zinc/47/66/75/626476675.db2.gz KVWYJTFHWZOYRT-RISCZKNCSA-N 1 3 277.799 2.628 20 30 CFEDHO C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000923491952 626476700 /nfs/dbraw/zinc/47/67/00/626476700.db2.gz KVWYJTFHWZOYRT-BXUZGUMPSA-N 1 3 277.799 2.628 20 30 CFEDHO C#CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000766905350 627226182 /nfs/dbraw/zinc/22/61/82/627226182.db2.gz GZIOLTBPRCERNO-DLBZAZTESA-N 1 3 262.441 2.986 20 30 CFEDHO C#CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000766905350 627226184 /nfs/dbraw/zinc/22/61/84/627226184.db2.gz GZIOLTBPRCERNO-DLBZAZTESA-N 1 3 262.441 2.986 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000817919991 632734379 /nfs/dbraw/zinc/73/43/79/632734379.db2.gz YCCMBUXORGKEFV-UXLLHSPISA-N 1 3 287.407 2.585 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817919989 632734651 /nfs/dbraw/zinc/73/46/51/632734651.db2.gz YCCMBUXORGKEFV-BFYDXBDKSA-N 1 3 287.407 2.585 20 30 CFEDHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969351 632768749 /nfs/dbraw/zinc/76/87/49/632768749.db2.gz CASGEMCUTMUPOB-CFVMTHIKSA-N 1 3 273.380 2.509 20 30 CFEDHO CCCCCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849056570 633481778 /nfs/dbraw/zinc/48/17/78/633481778.db2.gz QXGAZVQWPSGOMY-OAHLLOKOSA-N 1 3 282.476 2.945 20 30 CFEDHO CN1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CC1(C)C ZINC000858129101 636134457 /nfs/dbraw/zinc/13/44/57/636134457.db2.gz CTAZJJKOQMUXOT-OAHLLOKOSA-N 1 3 287.407 2.551 20 30 CFEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])NC2CCCCC2)(N(C)C)C1 ZINC000203056311 637379389 /nfs/dbraw/zinc/37/93/89/637379389.db2.gz MCPYXUUAMIVSOH-PBHICJAKSA-N 1 3 294.487 2.734 20 30 CFEDHO CC1(C)CC[C@@H](CNC2CCC(C)(C#N)CC2)[NH2+]C1 ZINC000873234466 642088583 /nfs/dbraw/zinc/08/85/83/642088583.db2.gz FLTIGBRZLNISHU-BBBYJDLNSA-N 1 3 263.429 2.827 20 30 CFEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873276532 642115469 /nfs/dbraw/zinc/11/54/69/642115469.db2.gz UVGRBQDVWGVPGH-MDASCCDHSA-N 1 3 297.446 2.926 20 30 CFEDHO C#CCCCCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000876783156 643007375 /nfs/dbraw/zinc/00/73/75/643007375.db2.gz VLEONPIBROAPHE-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000876783156 643007377 /nfs/dbraw/zinc/00/73/77/643007377.db2.gz VLEONPIBROAPHE-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000876783156 643007378 /nfs/dbraw/zinc/00/73/78/643007378.db2.gz VLEONPIBROAPHE-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000876783156 643007380 /nfs/dbraw/zinc/00/73/80/643007380.db2.gz VLEONPIBROAPHE-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642602 643426956 /nfs/dbraw/zinc/42/69/56/643426956.db2.gz OFKMKIJTRGWSNA-KRWDZBQOSA-N 1 3 280.456 2.613 20 30 CFEDHO C[NH+]1CCC2(CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000879249945 644195002 /nfs/dbraw/zinc/19/50/02/644195002.db2.gz HDOKLDVCSHMBDA-UHFFFAOYSA-N 1 3 282.431 2.846 20 30 CFEDHO C#CCCCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258146 644615828 /nfs/dbraw/zinc/61/58/28/644615828.db2.gz DGPCKECBCCGQER-INIZCTEOSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258146 644615829 /nfs/dbraw/zinc/61/58/29/644615829.db2.gz DGPCKECBCCGQER-INIZCTEOSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258146 644615830 /nfs/dbraw/zinc/61/58/30/644615830.db2.gz DGPCKECBCCGQER-INIZCTEOSA-N 1 3 271.408 2.786 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(CC)(CC)CC ZINC000305001474 651040922 /nfs/dbraw/zinc/04/09/22/651040922.db2.gz BGRTVUHEPGXHNH-AWEZNQCLSA-N 1 3 282.476 2.591 20 30 CFEDHO CC(C)([NH3+])CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000925742272 648306838 /nfs/dbraw/zinc/30/68/38/648306838.db2.gz RMRCNSGVQVEQDK-HNNXBMFYSA-N 1 3 257.381 2.653 20 30 CFEDHO CSc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000925773474 648317716 /nfs/dbraw/zinc/31/77/16/648317716.db2.gz NVNULQLHDDRNSS-DZGCQCFKSA-N 1 3 289.448 2.887 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439570 649428060 /nfs/dbraw/zinc/42/80/60/649428060.db2.gz OWHDUKLLFWGRRO-XOKHGSTOSA-N 1 3 269.392 2.503 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439570 649428062 /nfs/dbraw/zinc/42/80/62/649428062.db2.gz OWHDUKLLFWGRRO-XOKHGSTOSA-N 1 3 269.392 2.503 20 30 CFEDHO CC(C)[NH+]1CCC(N[C@H](C)CC(C)(C)C#N)CC1 ZINC000695856812 776064900 /nfs/dbraw/zinc/06/49/00/776064900.db2.gz AUMGQPKSZFBWAR-CYBMUJFWSA-N 1 3 251.418 2.777 20 30 CFEDHO C#C[C@@H]1CCCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146215 777451620 /nfs/dbraw/zinc/45/16/20/777451620.db2.gz LVOWGTDFHZZYBH-CQSZACIVSA-N 1 3 274.383 2.733 20 30 CFEDHO C=CCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235947170 779414489 /nfs/dbraw/zinc/41/44/89/779414489.db2.gz XUQCZQOQOJBGIH-UHFFFAOYSA-N 1 3 268.445 2.823 20 30 CFEDHO C=CCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235947170 779414492 /nfs/dbraw/zinc/41/44/92/779414492.db2.gz XUQCZQOQOJBGIH-UHFFFAOYSA-N 1 3 268.445 2.823 20 30 CFEDHO C=CCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235947170 779414497 /nfs/dbraw/zinc/41/44/97/779414497.db2.gz XUQCZQOQOJBGIH-UHFFFAOYSA-N 1 3 268.445 2.823 20 30 CFEDHO CN(C)[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595457510 349632581 /nfs/dbraw/zinc/63/25/81/349632581.db2.gz BCYJJNSBCCICBG-QGZVFWFLSA-N 1 3 271.408 2.517 20 30 CFEDHO CN(C)[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595457510 349632584 /nfs/dbraw/zinc/63/25/84/349632584.db2.gz BCYJJNSBCCICBG-QGZVFWFLSA-N 1 3 271.408 2.517 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246385741 290220552 /nfs/dbraw/zinc/22/05/52/290220552.db2.gz NPPPLQZFGBVJMP-HIFRSBDPSA-N 1 3 257.381 2.503 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246385741 290220554 /nfs/dbraw/zinc/22/05/54/290220554.db2.gz NPPPLQZFGBVJMP-HIFRSBDPSA-N 1 3 257.381 2.503 20 30 CFEDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068685 350369691 /nfs/dbraw/zinc/36/96/91/350369691.db2.gz CGVOCBMDJWFANB-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO C[C@@H](CCC#N)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000602478250 350898154 /nfs/dbraw/zinc/89/81/54/350898154.db2.gz OKLWNEQSWPKHTM-JKSUJKDBSA-N 1 3 263.429 2.877 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000602504816 350908158 /nfs/dbraw/zinc/90/81/58/350908158.db2.gz WGDYFZXJMPTUCP-CABCVRRESA-N 1 3 251.418 2.780 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000602518778 350911782 /nfs/dbraw/zinc/91/17/82/350911782.db2.gz RWJLUZSCGHTIHW-CABCVRRESA-N 1 3 251.418 2.638 20 30 CFEDHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602575979 350930910 /nfs/dbraw/zinc/93/09/10/350930910.db2.gz ZNUCXRUIROEDBK-HZPDHXFCSA-N 1 3 265.445 2.884 20 30 CFEDHO CN(C)Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602591135 350937980 /nfs/dbraw/zinc/93/79/80/350937980.db2.gz FOFGBGDDRLBSGX-UHFFFAOYSA-N 1 3 271.408 2.920 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000602661048 350965616 /nfs/dbraw/zinc/96/56/16/350965616.db2.gz BRNIZEKJAPZRJG-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000602661048 350965619 /nfs/dbraw/zinc/96/56/19/350965619.db2.gz BRNIZEKJAPZRJG-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000602715923 350996302 /nfs/dbraw/zinc/99/63/02/350996302.db2.gz QARKACLAYAJDIB-GOEBONIOSA-N 1 3 263.429 2.638 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000602876798 351055299 /nfs/dbraw/zinc/05/52/99/351055299.db2.gz AUGIXAPEDJOWLZ-UHFFFAOYSA-N 1 3 287.382 2.615 20 30 CFEDHO C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062207 354183231 /nfs/dbraw/zinc/18/32/31/354183231.db2.gz LLSVGLIKHNKOEP-GOSISDBHSA-N 1 3 290.451 2.897 20 30 CFEDHO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062207 354183233 /nfs/dbraw/zinc/18/32/33/354183233.db2.gz LLSVGLIKHNKOEP-GOSISDBHSA-N 1 3 290.451 2.897 20 30 CFEDHO C=C(C)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000119661284 540147235 /nfs/dbraw/zinc/14/72/35/540147235.db2.gz HKLHJUSNBZDVRX-UHFFFAOYSA-N 1 3 274.408 2.827 20 30 CFEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423098781 238200579 /nfs/dbraw/zinc/20/05/79/238200579.db2.gz LKVOTEFRFIYCAT-KURKYZTESA-N 1 3 283.419 2.611 20 30 CFEDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C#N)cc1 ZINC000019905762 372205755 /nfs/dbraw/zinc/20/57/55/372205755.db2.gz LILSQNXJKNZOFP-CYBMUJFWSA-N 1 3 259.397 2.797 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264141478 383700030 /nfs/dbraw/zinc/70/00/30/383700030.db2.gz WRPSRPVTHRPFLG-HNNXBMFYSA-N 1 3 274.412 2.514 20 30 CFEDHO CC[C@H](C)NC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264151078 383701530 /nfs/dbraw/zinc/70/15/30/383701530.db2.gz ZGSYVNMPNUDEQW-AWEZNQCLSA-N 1 3 290.455 2.730 20 30 CFEDHO CC(C)(CCC#N)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604643 375271916 /nfs/dbraw/zinc/27/19/16/375271916.db2.gz ZFGJSXKQCBZPBZ-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000093604643 375271917 /nfs/dbraw/zinc/27/19/17/375271917.db2.gz ZFGJSXKQCBZPBZ-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(CCC#N)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000093604643 375271919 /nfs/dbraw/zinc/27/19/19/375271919.db2.gz ZFGJSXKQCBZPBZ-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO C=C(C)C[NH+]1CCC(NCc2cccc(COC)c2)CC1 ZINC000174363029 379873609 /nfs/dbraw/zinc/87/36/09/379873609.db2.gz JQUHYWQOHWORTO-UHFFFAOYSA-N 1 3 288.435 2.963 20 30 CFEDHO CC1(C#N)CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000335062440 379965407 /nfs/dbraw/zinc/96/54/07/379965407.db2.gz KCILGHRWKDNXPB-UHFFFAOYSA-N 1 3 269.392 2.852 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000335247279 380076434 /nfs/dbraw/zinc/07/64/34/380076434.db2.gz BUSUDWWJEKRUJE-HIFRSBDPSA-N 1 3 261.413 2.675 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358425176 380839354 /nfs/dbraw/zinc/83/93/54/380839354.db2.gz LDQVWBBBDZNQHV-HUUCEWRRSA-N 1 3 291.439 2.649 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358425176 380839359 /nfs/dbraw/zinc/83/93/59/380839359.db2.gz LDQVWBBBDZNQHV-HUUCEWRRSA-N 1 3 291.439 2.649 20 30 CFEDHO C#C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000289630484 381076722 /nfs/dbraw/zinc/07/67/22/381076722.db2.gz WVLOEQKQYQOSQQ-LEUOFYLZSA-N 1 3 268.404 2.508 20 30 CFEDHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341714383 381186499 /nfs/dbraw/zinc/18/64/99/381186499.db2.gz SMKHQWUXNPLFSH-XWIAVFTESA-N 1 3 283.419 2.865 20 30 CFEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341714383 381186505 /nfs/dbraw/zinc/18/65/05/381186505.db2.gz SMKHQWUXNPLFSH-XWIAVFTESA-N 1 3 283.419 2.865 20 30 CFEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000290068703 381286944 /nfs/dbraw/zinc/28/69/44/381286944.db2.gz PUBLLAPMJHFLTL-MAUKXSAKSA-N 1 3 270.420 2.830 20 30 CFEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000290068703 381286952 /nfs/dbraw/zinc/28/69/52/381286952.db2.gz PUBLLAPMJHFLTL-MAUKXSAKSA-N 1 3 270.420 2.830 20 30 CFEDHO C=CCC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000185206914 381564854 /nfs/dbraw/zinc/56/48/54/381564854.db2.gz SAKFEGJEVSCZAY-HRCADAONSA-N 1 3 268.445 2.820 20 30 CFEDHO CN(C)CC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000185292291 381588526 /nfs/dbraw/zinc/58/85/26/381588526.db2.gz FVSNUVQPUHBPNM-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO C=CC[C@@H](CO)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000371834025 381708110 /nfs/dbraw/zinc/70/81/10/381708110.db2.gz GMCISZBSGCMJNW-KRWDZBQOSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CC[C@@H](CO)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000371834025 381708115 /nfs/dbraw/zinc/70/81/15/381708115.db2.gz GMCISZBSGCMJNW-KRWDZBQOSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CCN(C)Cc1cc(CN(C)CC=C)cc(OC)c1 ZINC000293006070 381947427 /nfs/dbraw/zinc/94/74/27/381947427.db2.gz TYFYYECMMWBXIA-UHFFFAOYSA-N 1 3 274.408 2.931 20 30 CFEDHO C=CCN(C)Cc1cc(C[N@H+](C)CC=C)cc(OC)c1 ZINC000293006070 381947435 /nfs/dbraw/zinc/94/74/35/381947435.db2.gz TYFYYECMMWBXIA-UHFFFAOYSA-N 1 3 274.408 2.931 20 30 CFEDHO C=CCN(C)Cc1cc(C[N@@H+](C)CC=C)cc(OC)c1 ZINC000293006070 381947438 /nfs/dbraw/zinc/94/74/38/381947438.db2.gz TYFYYECMMWBXIA-UHFFFAOYSA-N 1 3 274.408 2.931 20 30 CFEDHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(C)C#N ZINC000345789326 382313763 /nfs/dbraw/zinc/31/37/63/382313763.db2.gz GKFJXQXWZBJXHE-HNNXBMFYSA-N 1 3 287.407 2.517 20 30 CFEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442829833 382960231 /nfs/dbraw/zinc/96/02/31/382960231.db2.gz WIJQVUKPVOAYKV-BZUAXINKSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442829833 382960232 /nfs/dbraw/zinc/96/02/32/382960232.db2.gz WIJQVUKPVOAYKV-BZUAXINKSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442829833 382960234 /nfs/dbraw/zinc/96/02/34/382960234.db2.gz WIJQVUKPVOAYKV-BZUAXINKSA-N 1 3 263.429 2.636 20 30 CFEDHO N#Cc1ccc(OCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422988064 382998597 /nfs/dbraw/zinc/99/85/97/382998597.db2.gz IADBCUAVVHPDRJ-MSOLQXFVSA-N 1 3 293.370 2.671 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](N)C1CC1 ZINC000423339247 383059304 /nfs/dbraw/zinc/05/93/04/383059304.db2.gz ZKNYWAKETJHTIW-DLBZAZTESA-N 1 3 269.392 2.653 20 30 CFEDHO N#CCSCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246803136 383106488 /nfs/dbraw/zinc/10/64/88/383106488.db2.gz MXWVYDLDOSYBKW-GOEBONIOSA-N 1 3 293.480 2.582 20 30 CFEDHO N#CCSCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246803136 383106490 /nfs/dbraw/zinc/10/64/90/383106490.db2.gz MXWVYDLDOSYBKW-GOEBONIOSA-N 1 3 293.480 2.582 20 30 CFEDHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423167313 532977682 /nfs/dbraw/zinc/97/76/82/532977682.db2.gz SAYAGSKFBGSPIM-FZKQIMNGSA-N 1 3 297.377 2.745 20 30 CFEDHO CN(CC1CCN(c2cc[nH+]cc2)CC1)CC1(C#N)CCC1 ZINC000450647564 383479779 /nfs/dbraw/zinc/47/97/79/383479779.db2.gz XDDIXCWDOXMPCE-UHFFFAOYSA-N 1 3 298.434 2.924 20 30 CFEDHO C#CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000271405310 385381899 /nfs/dbraw/zinc/38/18/99/385381899.db2.gz XUXNHBMYYQZZOJ-UHFFFAOYSA-N 1 3 271.408 2.643 20 30 CFEDHO C#CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000271405310 385381904 /nfs/dbraw/zinc/38/19/04/385381904.db2.gz XUXNHBMYYQZZOJ-UHFFFAOYSA-N 1 3 271.408 2.643 20 30 CFEDHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600361 393682638 /nfs/dbraw/zinc/68/26/38/393682638.db2.gz LCZXKJUWRFYPNR-IZIZEDOESA-N 1 3 297.446 2.978 20 30 CFEDHO C=CCOc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482972 395355322 /nfs/dbraw/zinc/35/53/22/395355322.db2.gz NQXFARVUILZGFC-UHFFFAOYSA-N 1 3 286.419 2.968 20 30 CFEDHO C=CCOc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482972 395355325 /nfs/dbraw/zinc/35/53/25/395355325.db2.gz NQXFARVUILZGFC-UHFFFAOYSA-N 1 3 286.419 2.968 20 30 CFEDHO C=C(CC)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648840058 395334505 /nfs/dbraw/zinc/33/45/05/395334505.db2.gz HNKHMJACPUVDDB-UHFFFAOYSA-N 1 3 262.397 2.683 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000375792136 157286153 /nfs/dbraw/zinc/28/61/53/157286153.db2.gz PSOSDUNDIVBJMO-YESZJQIVSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000375792136 157286154 /nfs/dbraw/zinc/28/61/54/157286154.db2.gz PSOSDUNDIVBJMO-YESZJQIVSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000375792136 157286155 /nfs/dbraw/zinc/28/61/55/157286155.db2.gz PSOSDUNDIVBJMO-YESZJQIVSA-N 1 3 269.392 2.521 20 30 CFEDHO C=CCC[C@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660680039 413492306 /nfs/dbraw/zinc/49/23/06/413492306.db2.gz WGKGDUKAIVDCJL-SFHVURJKSA-N 1 3 288.435 2.568 20 30 CFEDHO CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442791148 265006057 /nfs/dbraw/zinc/00/60/57/265006057.db2.gz NEGMGKIHPUHOOX-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442791148 265006062 /nfs/dbraw/zinc/00/60/62/265006062.db2.gz NEGMGKIHPUHOOX-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO C=CCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000571392565 328118071 /nfs/dbraw/zinc/11/80/71/328118071.db2.gz USYWUWYSQSHMDG-QZTJIDSGSA-N 1 3 293.499 2.833 20 30 CFEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582072634 325174713 /nfs/dbraw/zinc/17/47/13/325174713.db2.gz BPEJMEQSJQJCAN-JKSUJKDBSA-N 1 3 289.448 2.651 20 30 CFEDHO CN(CCCC[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000559477912 327248121 /nfs/dbraw/zinc/24/81/21/327248121.db2.gz LBIKTLSQYGQTOZ-UHFFFAOYSA-N 1 3 278.444 2.730 20 30 CFEDHO CN(CCCC[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000559477912 327248122 /nfs/dbraw/zinc/24/81/22/327248122.db2.gz LBIKTLSQYGQTOZ-UHFFFAOYSA-N 1 3 278.444 2.730 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)C(C)C ZINC000422828024 330156500 /nfs/dbraw/zinc/15/65/00/330156500.db2.gz FOVZMIPLNOIRHD-RCCFBDPRSA-N 1 3 293.499 2.935 20 30 CFEDHO C=CCN(CC=C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422825967 330156519 /nfs/dbraw/zinc/15/65/19/330156519.db2.gz BFGOGATYNYVSOE-WFFDWFOESA-N 1 3 291.483 2.558 20 30 CFEDHO C#C[C@@H](CC)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491351900 332195605 /nfs/dbraw/zinc/19/56/05/332195605.db2.gz WKXFNGUDBGUPPD-KRWDZBQOSA-N 1 3 299.462 2.718 20 30 CFEDHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256845 533866634 /nfs/dbraw/zinc/86/66/34/533866634.db2.gz GHNNGBRMVZHLBW-QWHCGFSZSA-N 1 3 275.371 2.738 20 30 CFEDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181875339 520502228 /nfs/dbraw/zinc/50/22/28/520502228.db2.gz VMSDCMWPRMITLH-WMLDXEAASA-N 1 3 289.423 2.566 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000113323952 526743317 /nfs/dbraw/zinc/74/33/17/526743317.db2.gz JAGBKDGWUSIPPT-KRWDZBQOSA-N 1 3 286.419 2.520 20 30 CFEDHO C=CCOc1ccccc1CN1CCC(C[NH2+]C)CC1 ZINC000347026357 526931453 /nfs/dbraw/zinc/93/14/53/526931453.db2.gz SWNWRLSKDOURNB-UHFFFAOYSA-N 1 3 274.408 2.683 20 30 CFEDHO C=CCOc1ccccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000347221164 526931603 /nfs/dbraw/zinc/93/16/03/526931603.db2.gz UCRUXJDZWGDXSS-CQSZACIVSA-N 1 3 274.408 2.811 20 30 CFEDHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(C)(C)C#N ZINC000926419295 618085327 /nfs/dbraw/zinc/08/53/27/618085327.db2.gz SFBTYOZLSMUSEU-KBPBESRZSA-N 1 3 251.418 2.779 20 30 CFEDHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(C)(C)C#N ZINC000926419295 618085334 /nfs/dbraw/zinc/08/53/34/618085334.db2.gz SFBTYOZLSMUSEU-KBPBESRZSA-N 1 3 251.418 2.779 20 30 CFEDHO C=C(C)C[NH+]1CCC(Nc2cc(N)ncc2Cl)CC1 ZINC000892397310 618224707 /nfs/dbraw/zinc/22/47/07/618224707.db2.gz YSKZCJQMUZFUNZ-UHFFFAOYSA-N 1 3 280.803 2.770 20 30 CFEDHO C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000895292622 618515889 /nfs/dbraw/zinc/51/58/89/618515889.db2.gz SEGWJAWWUZDVMH-AWEZNQCLSA-N 1 3 273.424 2.918 20 30 CFEDHO CSc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000925774832 619092932 /nfs/dbraw/zinc/09/29/32/619092932.db2.gz XQJCWNMHZCCGOH-ZIAGYGMSSA-N 1 3 275.421 2.640 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NCC1([NH+]2CCCC2)CCOCC1 ZINC000924971437 619311402 /nfs/dbraw/zinc/31/14/02/619311402.db2.gz AYDPIPAOFKAKDP-HNNXBMFYSA-N 1 3 293.455 2.549 20 30 CFEDHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902791642 621177776 /nfs/dbraw/zinc/17/77/76/621177776.db2.gz WQNFOPKKXXSDKW-AWEZNQCLSA-N 1 3 286.423 2.726 20 30 CFEDHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(C#N)c1 ZINC000902998724 621224616 /nfs/dbraw/zinc/22/46/16/621224616.db2.gz HOWWYIZXDPUIJM-CJNGLKHVSA-N 1 3 259.397 2.797 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000903458615 621380101 /nfs/dbraw/zinc/38/01/01/621380101.db2.gz FOHBNNDXWMKXBS-WBMJQRKESA-N 1 3 271.408 2.592 20 30 CFEDHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@@H]1CN ZINC000903459956 621381355 /nfs/dbraw/zinc/38/13/55/621381355.db2.gz RXUWFMDVPHXYDQ-KBJXHQRYSA-N 1 3 263.429 2.622 20 30 CFEDHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1CN ZINC000903459956 621381358 /nfs/dbraw/zinc/38/13/58/621381358.db2.gz RXUWFMDVPHXYDQ-KBJXHQRYSA-N 1 3 263.429 2.622 20 30 CFEDHO CC[C@@H]1CN(Cc2c(C)cc(C#N)cc2C)CC[C@@H]1[NH3+] ZINC000903449821 621386386 /nfs/dbraw/zinc/38/63/86/621386386.db2.gz HMVJBQBBYONKHM-WBVHZDCISA-N 1 3 271.408 2.734 20 30 CFEDHO CN(CCCCCCC[NH3+])Cc1cc(C#N)cs1 ZINC000903826359 621450456 /nfs/dbraw/zinc/45/04/56/621450456.db2.gz JKXQEWSDHYQGDN-UHFFFAOYSA-N 1 3 265.426 2.961 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903954996 621489596 /nfs/dbraw/zinc/48/95/96/621489596.db2.gz XUDIWDIYZSCOCX-CQSZACIVSA-N 1 3 296.361 2.586 20 30 CFEDHO CC1([NH+]2CCCC2)CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000905533193 621785633 /nfs/dbraw/zinc/78/56/33/621785633.db2.gz DJEVKFGPYUGWSA-GTPINHCMSA-N 1 3 288.439 2.817 20 30 CFEDHO CCCCCCCC[C@@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911866063 622561472 /nfs/dbraw/zinc/56/14/72/622561472.db2.gz ZMFUYDZWKANFRE-UYSNPLJNSA-N 1 3 297.487 2.793 20 30 CFEDHO c1nncn1N=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834911590 625920044 /nfs/dbraw/zinc/92/00/44/625920044.db2.gz DBUFKBGFRCJKQW-NVXWUHKLSA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1N=C1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834911590 625920045 /nfs/dbraw/zinc/92/00/45/625920045.db2.gz DBUFKBGFRCJKQW-NVXWUHKLSA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1[NH+]=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834911590 625920048 /nfs/dbraw/zinc/92/00/48/625920048.db2.gz DBUFKBGFRCJKQW-NVXWUHKLSA-N 1 3 295.390 2.557 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000772856802 627751393 /nfs/dbraw/zinc/75/13/93/627751393.db2.gz RMZWHKBPGDEXEJ-MSOLQXFVSA-N 1 3 288.435 2.740 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000773010580 627768604 /nfs/dbraw/zinc/76/86/04/627768604.db2.gz NSEYFTPVUUFFON-WBVHZDCISA-N 1 3 294.508 2.986 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@H]1CCCOc2cc(C)ccc21 ZINC000815652193 632304995 /nfs/dbraw/zinc/30/49/95/632304995.db2.gz TXWJFYCZFQREQC-KRWDZBQOSA-N 1 3 286.419 2.753 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@H]1CCCOc2cc(C)ccc21 ZINC000815652193 632304997 /nfs/dbraw/zinc/30/49/97/632304997.db2.gz TXWJFYCZFQREQC-KRWDZBQOSA-N 1 3 286.419 2.753 20 30 CFEDHO CCCCCCCCNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000849061229 633482180 /nfs/dbraw/zinc/48/21/80/633482180.db2.gz CRJROULSGJJSRY-HNNXBMFYSA-N 1 3 282.476 2.945 20 30 CFEDHO CN(C)C(=[NH+]CCN1CCC2(CCCCC2)CC1)N(C)C ZINC000849108342 633486284 /nfs/dbraw/zinc/48/62/84/633486284.db2.gz QRVYAZXIDBBPBC-UHFFFAOYSA-N 1 3 294.487 2.512 20 30 CFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434607 644272473 /nfs/dbraw/zinc/27/24/73/644272473.db2.gz LVZFQZNCHSEDLA-GOSISDBHSA-N 1 3 285.435 2.907 20 30 CFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434607 644272476 /nfs/dbraw/zinc/27/24/76/644272476.db2.gz LVZFQZNCHSEDLA-GOSISDBHSA-N 1 3 285.435 2.907 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000303708961 650999487 /nfs/dbraw/zinc/99/94/87/650999487.db2.gz NKVIQZAKGYMXSM-HUUCEWRRSA-N 1 3 282.476 2.590 20 30 CFEDHO C=CCC[C@@H]([NH2+]CCCN(C)C(C)C)[C@H]1CCCO1 ZINC000883169551 645636439 /nfs/dbraw/zinc/63/64/39/645636439.db2.gz YRPUCQFMHQHEPO-HZPDHXFCSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@@H](NCCC[N@@H+](C)C(C)C)[C@H]1CCCO1 ZINC000883169551 645636441 /nfs/dbraw/zinc/63/64/41/645636441.db2.gz YRPUCQFMHQHEPO-HZPDHXFCSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@@H](NCCC[N@H+](C)C(C)C)[C@H]1CCCO1 ZINC000883169551 645636444 /nfs/dbraw/zinc/63/64/44/645636444.db2.gz YRPUCQFMHQHEPO-HZPDHXFCSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCCO1 ZINC000883239085 645687096 /nfs/dbraw/zinc/68/70/96/645687096.db2.gz VWPDAMBKYHTUGR-IKGGRYGDSA-N 1 3 280.456 2.822 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CC(C)C)CCC1 ZINC000304995463 651040167 /nfs/dbraw/zinc/04/01/67/651040167.db2.gz FONKOUVCZOYRHE-OAHLLOKOSA-N 1 3 294.487 2.591 20 30 CFEDHO C=C(C)C[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000883389190 645786437 /nfs/dbraw/zinc/78/64/37/645786437.db2.gz MBHWGQHZAPWEQB-INIZCTEOSA-N 1 3 280.456 2.700 20 30 CFEDHO C=C(C)C[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000883389190 645786445 /nfs/dbraw/zinc/78/64/45/645786445.db2.gz MBHWGQHZAPWEQB-INIZCTEOSA-N 1 3 280.456 2.700 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000883389191 645786712 /nfs/dbraw/zinc/78/67/12/645786712.db2.gz MBHWGQHZAPWEQB-MRXNPFEDSA-N 1 3 280.456 2.700 20 30 CFEDHO C=C(C)C[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000883389191 645786715 /nfs/dbraw/zinc/78/67/15/645786715.db2.gz MBHWGQHZAPWEQB-MRXNPFEDSA-N 1 3 280.456 2.700 20 30 CFEDHO C[C@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305094875 651048187 /nfs/dbraw/zinc/04/81/87/651048187.db2.gz ZAUVLDRTYYPMRI-HNNXBMFYSA-N 1 3 294.487 2.688 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000104167947 647553332 /nfs/dbraw/zinc/55/33/32/647553332.db2.gz MXFKJJNDARFJJC-GJZGRUSLSA-N 1 3 288.439 2.842 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NCCN2CCCCCC2)c1 ZINC000104168385 647553605 /nfs/dbraw/zinc/55/36/05/647553605.db2.gz BBIXNAIEUHUIJI-UHFFFAOYSA-N 1 3 274.412 2.598 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(OCC#N)cc2)C1 ZINC000925624340 648244694 /nfs/dbraw/zinc/24/46/94/648244694.db2.gz ZQHKCPXXWXEHDP-GJZGRUSLSA-N 1 3 287.407 2.585 20 30 CFEDHO C=CCCSCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925702673 648286582 /nfs/dbraw/zinc/28/65/82/648286582.db2.gz AEHSLAGAYAFBLK-RDBSUJKOSA-N 1 3 268.470 2.662 20 30 CFEDHO C=CCCSCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925702673 648286587 /nfs/dbraw/zinc/28/65/87/648286587.db2.gz AEHSLAGAYAFBLK-RDBSUJKOSA-N 1 3 268.470 2.662 20 30 CFEDHO C=CC(=NCOC)NCC[NH+](CCCC)CCCC ZINC001167733152 775864700 /nfs/dbraw/zinc/86/47/00/775864700.db2.gz OGHGMNRYVHFLCG-UHFFFAOYSA-N 1 3 269.433 2.667 20 30 CFEDHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695793045 776012552 /nfs/dbraw/zinc/01/25/52/776012552.db2.gz XEKILURIZCFZHQ-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695793045 776012559 /nfs/dbraw/zinc/01/25/59/776012559.db2.gz XEKILURIZCFZHQ-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000695793045 776012569 /nfs/dbraw/zinc/01/25/69/776012569.db2.gz XEKILURIZCFZHQ-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO C#CCOc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000175008963 779536267 /nfs/dbraw/zinc/53/62/67/779536267.db2.gz FUMPILHIXMXGIY-IRXDYDNUSA-N 1 3 286.419 2.661 20 30 CFEDHO N#Cc1ccc(C2(N[C@@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000594584719 349452237 /nfs/dbraw/zinc/45/22/37/349452237.db2.gz FJDZUGPMYMHGFV-HZPDHXFCSA-N 1 3 269.392 2.797 20 30 CFEDHO CC(C)C[C@H](N)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594736782 349484785 /nfs/dbraw/zinc/48/47/85/349484785.db2.gz UYFVXLIILRPMEZ-HNNXBMFYSA-N 1 3 259.397 2.756 20 30 CFEDHO C=CCCSCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594959763 349530383 /nfs/dbraw/zinc/53/03/83/349530383.db2.gz CLDWMGUBFQFZIZ-UONOGXRCSA-N 1 3 254.443 2.512 20 30 CFEDHO C=CCCSCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594959763 349530388 /nfs/dbraw/zinc/53/03/88/349530388.db2.gz CLDWMGUBFQFZIZ-UONOGXRCSA-N 1 3 254.443 2.512 20 30 CFEDHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595505016 349644489 /nfs/dbraw/zinc/64/44/89/349644489.db2.gz PHYZWKBSGRTPND-GOSISDBHSA-N 1 3 283.419 2.670 20 30 CFEDHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595505016 349644493 /nfs/dbraw/zinc/64/44/93/349644493.db2.gz PHYZWKBSGRTPND-GOSISDBHSA-N 1 3 283.419 2.670 20 30 CFEDHO CCCN1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449095121 260211025 /nfs/dbraw/zinc/21/10/25/260211025.db2.gz WIXYNMDQTJPFRX-QQFBHYJXSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[NH2+]C1 ZINC000591578092 349032250 /nfs/dbraw/zinc/03/22/50/349032250.db2.gz XZGGAYZRQMKPBB-OWQGQXMQSA-N 1 3 283.419 2.913 20 30 CFEDHO C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000593324480 349247426 /nfs/dbraw/zinc/24/74/26/349247426.db2.gz WOVDRIPJSGKUKG-CZUORRHYSA-N 1 3 257.381 2.578 20 30 CFEDHO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1C#N ZINC000599428812 350435889 /nfs/dbraw/zinc/43/58/89/350435889.db2.gz QCASCXKYYLBJNZ-SFHVURJKSA-N 1 3 283.419 2.784 20 30 CFEDHO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1C#N ZINC000599428812 350435890 /nfs/dbraw/zinc/43/58/90/350435890.db2.gz QCASCXKYYLBJNZ-SFHVURJKSA-N 1 3 283.419 2.784 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000602504817 350908246 /nfs/dbraw/zinc/90/82/46/350908246.db2.gz WGDYFZXJMPTUCP-GJZGRUSLSA-N 1 3 251.418 2.780 20 30 CFEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(C#N)n1 ZINC000602515105 350911160 /nfs/dbraw/zinc/91/11/60/350911160.db2.gz UHENJJZXKWXPGZ-HNNXBMFYSA-N 1 3 286.423 2.697 20 30 CFEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(C#N)n1 ZINC000602515105 350911164 /nfs/dbraw/zinc/91/11/64/350911164.db2.gz UHENJJZXKWXPGZ-HNNXBMFYSA-N 1 3 286.423 2.697 20 30 CFEDHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602545130 350919428 /nfs/dbraw/zinc/91/94/28/350919428.db2.gz NELXIPVBPXKPKM-PCKAHOCUSA-N 1 3 263.429 2.779 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000271494308 191173697 /nfs/dbraw/zinc/17/36/97/191173697.db2.gz PNQZXZBUALYZFX-YQQAZPJKSA-N 1 3 286.419 2.517 20 30 CFEDHO N#Cc1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000334593152 283196725 /nfs/dbraw/zinc/19/67/25/283196725.db2.gz DEVGRXOODLZTNV-SFHVURJKSA-N 1 3 281.403 2.762 20 30 CFEDHO CCN(Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614332 240333005 /nfs/dbraw/zinc/33/30/05/240333005.db2.gz MHGSQPZYMAZNFK-INIZCTEOSA-N 1 3 257.381 2.522 20 30 CFEDHO CCCCN1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000037150094 372655459 /nfs/dbraw/zinc/65/54/59/372655459.db2.gz OYAOTJPBIQHDIL-UHFFFAOYSA-N 1 3 271.408 2.912 20 30 CFEDHO COc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1C#N ZINC000087822693 374831679 /nfs/dbraw/zinc/83/16/79/374831679.db2.gz CGSGRAUFEMTYQS-UHFFFAOYSA-N 1 3 287.407 2.529 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000163247441 378963125 /nfs/dbraw/zinc/96/31/25/378963125.db2.gz OAXOIYYCVAOGIU-JKSUJKDBSA-N 1 3 286.419 2.691 20 30 CFEDHO C[NH+]1CCC2(CCCN2Cc2cccc(C#N)c2)CC1 ZINC000334427063 379278746 /nfs/dbraw/zinc/27/87/46/379278746.db2.gz WOPNJEPMUKMROL-UHFFFAOYSA-N 1 3 269.392 2.618 20 30 CFEDHO CN1CCC2(CCC[N@@H+]2Cc2cccc(C#N)c2)CC1 ZINC000334427063 379278752 /nfs/dbraw/zinc/27/87/52/379278752.db2.gz WOPNJEPMUKMROL-UHFFFAOYSA-N 1 3 269.392 2.618 20 30 CFEDHO CN1CCC2(CCC[N@H+]2Cc2cccc(C#N)c2)CC1 ZINC000334427063 379278754 /nfs/dbraw/zinc/27/87/54/379278754.db2.gz WOPNJEPMUKMROL-UHFFFAOYSA-N 1 3 269.392 2.618 20 30 CFEDHO C#CCCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292812962 381847181 /nfs/dbraw/zinc/84/71/81/381847181.db2.gz OZNSVEZQZTZZNK-LJQANCHMSA-N 1 3 298.430 2.616 20 30 CFEDHO C#CCCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292812962 381847190 /nfs/dbraw/zinc/84/71/90/381847190.db2.gz OZNSVEZQZTZZNK-LJQANCHMSA-N 1 3 298.430 2.616 20 30 CFEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000293238280 382042215 /nfs/dbraw/zinc/04/22/15/382042215.db2.gz BCSDUDHXSOGLGO-HUUCEWRRSA-N 1 3 274.408 2.547 20 30 CFEDHO C=C(CC)CN[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000346555175 382411686 /nfs/dbraw/zinc/41/16/86/382411686.db2.gz HAFQJDZFJCMQCX-CVEARBPZSA-N 1 3 268.445 2.679 20 30 CFEDHO C=C(CC)CN[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000346555175 382411691 /nfs/dbraw/zinc/41/16/91/382411691.db2.gz HAFQJDZFJCMQCX-CVEARBPZSA-N 1 3 268.445 2.679 20 30 CFEDHO C#CC[C@@H](C)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000366521270 382525425 /nfs/dbraw/zinc/52/54/25/382525425.db2.gz PMFCPKNXGHSOFF-NVXWUHKLSA-N 1 3 298.430 2.976 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442712599 382948328 /nfs/dbraw/zinc/94/83/28/382948328.db2.gz UZJVALKBNYRANP-CJNGLKHVSA-N 1 3 257.381 2.530 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442712600 382948668 /nfs/dbraw/zinc/94/86/68/382948668.db2.gz UZJVALKBNYRANP-CZUORRHYSA-N 1 3 257.381 2.530 20 30 CFEDHO C[NH+](C)[C@H](CN[C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442719015 382949653 /nfs/dbraw/zinc/94/96/53/382949653.db2.gz PNXXMOMDKXBIKE-CWRNSKLLSA-N 1 3 263.429 2.779 20 30 CFEDHO CCC(CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000442722166 382949703 /nfs/dbraw/zinc/94/97/03/382949703.db2.gz UWHFFCRCYBUDOU-QEJZJMRPSA-N 1 3 251.418 2.635 20 30 CFEDHO N#CCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247009112 383131706 /nfs/dbraw/zinc/13/17/06/383131706.db2.gz XIPOWVCFFXAONL-GDBMZVCRSA-N 1 3 261.413 2.629 20 30 CFEDHO N#CCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247009112 383131709 /nfs/dbraw/zinc/13/17/09/383131709.db2.gz XIPOWVCFFXAONL-GDBMZVCRSA-N 1 3 261.413 2.629 20 30 CFEDHO C=CCCCC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449302176 383207755 /nfs/dbraw/zinc/20/77/55/383207755.db2.gz JKODMOAXMGBLEL-MRXNPFEDSA-N 1 3 281.488 2.737 20 30 CFEDHO N#CCC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562052 383165394 /nfs/dbraw/zinc/16/53/94/383165394.db2.gz KOFAFMLXMWGRPX-CRAIPNDOSA-N 1 3 297.402 2.526 20 30 CFEDHO CC(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000248868098 383300250 /nfs/dbraw/zinc/30/02/50/383300250.db2.gz QIAQYNGMIADRMC-OAGGEKHMSA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](CCC#N)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268798 383439509 /nfs/dbraw/zinc/43/95/09/383439509.db2.gz NJWFGRWQRVPKFX-QLFBSQMISA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428268798 383439512 /nfs/dbraw/zinc/43/95/12/383439512.db2.gz NJWFGRWQRVPKFX-QLFBSQMISA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000428268798 383439515 /nfs/dbraw/zinc/43/95/15/383439515.db2.gz NJWFGRWQRVPKFX-QLFBSQMISA-N 1 3 263.429 2.921 20 30 CFEDHO C=CC[C@@H](C)[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007120 383462962 /nfs/dbraw/zinc/46/29/62/383462962.db2.gz FBJOBUMUOHFCJN-KGLIPLIRSA-N 1 3 274.412 2.504 20 30 CFEDHO C=CC[C@H](CC)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000393810158 262193301 /nfs/dbraw/zinc/19/33/01/262193301.db2.gz SFKBDRFKBAPBOL-AWEZNQCLSA-N 1 3 259.397 2.995 20 30 CFEDHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482265 533388307 /nfs/dbraw/zinc/38/83/07/533388307.db2.gz OWCRJMUXNXXMOB-TZMCWYRMSA-N 1 3 275.371 2.880 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000373864317 393476095 /nfs/dbraw/zinc/47/60/95/393476095.db2.gz CHUFOQZIDYECBX-YJBOKZPZSA-N 1 3 292.467 2.964 20 30 CFEDHO C=C(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000352015062 394009525 /nfs/dbraw/zinc/00/95/25/394009525.db2.gz OZNCDXUIZQSPEB-HZPDHXFCSA-N 1 3 280.456 2.774 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442858439 394140310 /nfs/dbraw/zinc/14/03/10/394140310.db2.gz HWVRCTWNBJDMKZ-KURKYZTESA-N 1 3 283.419 2.790 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442858439 394140314 /nfs/dbraw/zinc/14/03/14/394140314.db2.gz HWVRCTWNBJDMKZ-KURKYZTESA-N 1 3 283.419 2.790 20 30 CFEDHO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371179960 394298784 /nfs/dbraw/zinc/29/87/84/394298784.db2.gz ZQBPJWWLXZZETE-IRXDYDNUSA-N 1 3 280.456 2.511 20 30 CFEDHO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371179960 394298788 /nfs/dbraw/zinc/29/87/88/394298788.db2.gz ZQBPJWWLXZZETE-IRXDYDNUSA-N 1 3 280.456 2.511 20 30 CFEDHO C=CCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000649401925 395486168 /nfs/dbraw/zinc/48/61/68/395486168.db2.gz JPIYRDZMEYRALU-UHFFFAOYSA-N 1 3 293.499 2.833 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246385762 287131474 /nfs/dbraw/zinc/13/14/74/287131474.db2.gz NPPPLQZFGBVJMP-ZFWWWQNUSA-N 1 3 257.381 2.503 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246385762 287131475 /nfs/dbraw/zinc/13/14/75/287131475.db2.gz NPPPLQZFGBVJMP-ZFWWWQNUSA-N 1 3 257.381 2.503 20 30 CFEDHO N#Cc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000020128797 171016049 /nfs/dbraw/zinc/01/60/49/171016049.db2.gz SXNUMOPSWSHKLR-UHFFFAOYSA-N 1 3 257.381 2.524 20 30 CFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657831787 413983307 /nfs/dbraw/zinc/98/33/07/413983307.db2.gz BLYKUKJNHZKWRE-WMZOPIPTSA-N 1 3 293.499 2.737 20 30 CFEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658140014 414233455 /nfs/dbraw/zinc/23/34/55/414233455.db2.gz RWIQZIYQRQILKK-CRAIPNDOSA-N 1 3 288.435 2.698 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414813755 263053239 /nfs/dbraw/zinc/05/32/39/263053239.db2.gz YQWZBARMFVBRBP-DOTOQJQBSA-N 1 3 274.408 2.859 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000357802304 266366363 /nfs/dbraw/zinc/36/63/63/266366363.db2.gz PFVVJTQZEVNUNM-OAHLLOKOSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000345822858 278182180 /nfs/dbraw/zinc/18/21/80/278182180.db2.gz YEIZHGJQHKQQDO-LSDHHAIUSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000345822858 278182182 /nfs/dbraw/zinc/18/21/82/278182182.db2.gz YEIZHGJQHKQQDO-LSDHHAIUSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C)c1cccc(NC(=[NH2+])NCC2=CCN(C)CC2)c1 ZINC000271813812 328197681 /nfs/dbraw/zinc/19/76/81/328197681.db2.gz NUIFJFGIOLWQOJ-UHFFFAOYSA-N 1 3 286.423 2.799 20 30 CFEDHO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)CN(C)C)c1 ZINC000291869564 328267274 /nfs/dbraw/zinc/26/72/74/328267274.db2.gz HGFCEHMAYYDOHQ-CYBMUJFWSA-N 1 3 276.428 2.734 20 30 CFEDHO Cc1cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)ccc1C#N ZINC000583720720 325306130 /nfs/dbraw/zinc/30/61/30/325306130.db2.gz VRTROSUDGLSKAA-ROUUACIJSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)ccc1C#N ZINC000583720720 325306132 /nfs/dbraw/zinc/30/61/32/325306132.db2.gz VRTROSUDGLSKAA-ROUUACIJSA-N 1 3 283.419 2.783 20 30 CFEDHO C[C@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000185843003 329330088 /nfs/dbraw/zinc/33/00/88/329330088.db2.gz OOBRQBQGIKCHGU-LUKYLMHMSA-N 1 3 293.455 2.548 20 30 CFEDHO N#CCC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423093841 330169380 /nfs/dbraw/zinc/16/93/80/330169380.db2.gz IPMWSDPVIRGDPY-QLFBSQMISA-N 1 3 261.413 2.581 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171627 330174593 /nfs/dbraw/zinc/17/45/93/330174593.db2.gz PGWPXQKDRSNFQX-CRAIPNDOSA-N 1 3 299.418 2.772 20 30 CFEDHO C#C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000491231267 332170857 /nfs/dbraw/zinc/17/08/57/332170857.db2.gz RPVOKZZUTWFYKC-CQSZACIVSA-N 1 3 250.430 2.887 20 30 CFEDHO CC#CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309741914 333048408 /nfs/dbraw/zinc/04/84/08/333048408.db2.gz WEDXAFRDLVDTDS-GBESFXJTSA-N 1 3 282.431 2.900 20 30 CFEDHO CC1(C)CC(N[C@H]2CCC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613447 333236813 /nfs/dbraw/zinc/23/68/13/333236813.db2.gz WFEFFEOHUSXPLI-STQMWFEESA-N 1 3 263.429 2.968 20 30 CFEDHO CC1(C)CC([NH2+][C@H]2CCC[C@H](C#N)C2)CC(C)(C)N1 ZINC000192613447 333236814 /nfs/dbraw/zinc/23/68/14/333236814.db2.gz WFEFFEOHUSXPLI-STQMWFEESA-N 1 3 263.429 2.968 20 30 CFEDHO C[NH+]1CCC(CCNCc2ccc(C#N)cc2F)CC1 ZINC000158093617 523760160 /nfs/dbraw/zinc/76/01/60/523760160.db2.gz JJFQRCLHQFUSGL-UHFFFAOYSA-N 1 3 275.371 2.519 20 30 CFEDHO C=CCOc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347078566 526897729 /nfs/dbraw/zinc/89/77/29/526897729.db2.gz WBLCGGAGQMJVQQ-AWEZNQCLSA-N 1 3 274.408 2.811 20 30 CFEDHO C[C@@H](CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)N(C)C ZINC000895292567 618514822 /nfs/dbraw/zinc/51/48/22/618514822.db2.gz PYDYFVBRSSEXAM-AWEZNQCLSA-N 1 3 271.408 2.672 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000925694554 618941400 /nfs/dbraw/zinc/94/14/00/618941400.db2.gz UORFGZRUZVAYGY-KBPBESRZSA-N 1 3 275.371 2.693 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1C#N ZINC000925839156 619171774 /nfs/dbraw/zinc/17/17/74/619171774.db2.gz PWLYOIKONPHNCB-JKSUJKDBSA-N 1 3 257.381 2.616 20 30 CFEDHO C=CC[NH+]1CCC(NCc2cccc3c2NCCC3)CC1 ZINC000894229901 619272562 /nfs/dbraw/zinc/27/25/62/619272562.db2.gz ZWMZBSJZEYNVOW-UHFFFAOYSA-N 1 3 285.435 2.785 20 30 CFEDHO C[NH+]1CCC2(CCCN(Cc3csc(C#N)c3)C2)CC1 ZINC000894231726 619273631 /nfs/dbraw/zinc/27/36/31/619273631.db2.gz SJDLHCLUSXTKAI-UHFFFAOYSA-N 1 3 289.448 2.928 20 30 CFEDHO N#CC1(CCCCN2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000903742470 621434703 /nfs/dbraw/zinc/43/47/03/621434703.db2.gz ACXNFPMDWKMHIM-MRXNPFEDSA-N 1 3 261.413 2.536 20 30 CFEDHO N#CCCN[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710104 621825828 /nfs/dbraw/zinc/82/58/28/621825828.db2.gz SRYURSZKUSOBHI-SQNIBIBYSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCN[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710104 621825835 /nfs/dbraw/zinc/82/58/35/621825835.db2.gz SRYURSZKUSOBHI-SQNIBIBYSA-N 1 3 283.419 2.790 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000922283602 626259783 /nfs/dbraw/zinc/25/97/83/626259783.db2.gz FHJKMPJXWIICDD-INIZCTEOSA-N 1 3 285.435 2.997 20 30 CFEDHO N#Cc1ccc(CN2CC[C@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000923480226 626475978 /nfs/dbraw/zinc/47/59/78/626475978.db2.gz GGSGLZFOBPLMMP-NSHDSACASA-N 1 3 297.324 2.748 20 30 CFEDHO C=CCCCCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849076802 633483688 /nfs/dbraw/zinc/48/36/88/633483688.db2.gz XKKLDJFCXJBWCK-HNNXBMFYSA-N 1 3 280.460 2.721 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000303708962 650999407 /nfs/dbraw/zinc/99/94/07/650999407.db2.gz NKVIQZAKGYMXSM-LSDHHAIUSA-N 1 3 282.476 2.590 20 30 CFEDHO C=CCCC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000883216001 645669806 /nfs/dbraw/zinc/66/98/06/645669806.db2.gz JQRQFGIYQNOQRY-ZWKOTPCHSA-N 1 3 288.435 2.740 20 30 CFEDHO C=CCCC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000883216001 645669807 /nfs/dbraw/zinc/66/98/07/645669807.db2.gz JQRQFGIYQNOQRY-ZWKOTPCHSA-N 1 3 288.435 2.740 20 30 CFEDHO CC[C@@H](CNC(=[NH2+])Nc1cccc(C)c1)N1CCCC1 ZINC000104166807 647552643 /nfs/dbraw/zinc/55/26/43/647552643.db2.gz OJXVFZKLOKUHSV-HNNXBMFYSA-N 1 3 274.412 2.596 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925681951 648278488 /nfs/dbraw/zinc/27/84/88/648278488.db2.gz RCMZTUTVSBTYBJ-QMCVQRASSA-N 1 3 275.440 2.827 20 30 CFEDHO CSc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000925773479 648317596 /nfs/dbraw/zinc/31/75/96/648317596.db2.gz NVNULQLHDDRNSS-ZFWWWQNUSA-N 1 3 289.448 2.887 20 30 CFEDHO C[NH+](C)C1(C)CCN(CC2CCC(C#N)CC2)CC1 ZINC000931355991 649413025 /nfs/dbraw/zinc/41/30/25/649413025.db2.gz XMYLLAPEJGJGCU-UHFFFAOYSA-N 1 3 263.429 2.732 20 30 CFEDHO CN(C)C1(C)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931355991 649413026 /nfs/dbraw/zinc/41/30/26/649413026.db2.gz XMYLLAPEJGJGCU-UHFFFAOYSA-N 1 3 263.429 2.732 20 30 CFEDHO C[C@@H](CNC(=[NH2+])NC1CCCCCC1)N1CCC[C@@H](C)C1 ZINC000305747780 651074504 /nfs/dbraw/zinc/07/45/04/651074504.db2.gz TYSWVLBWCTXXIQ-CABCVRRESA-N 1 3 294.487 2.734 20 30 CFEDHO C=CCOc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000697907204 778521974 /nfs/dbraw/zinc/52/19/74/778521974.db2.gz BNMCCBATUXLYBY-AWEZNQCLSA-N 1 3 262.397 2.681 20 30 CFEDHO [NH3+]CCC1CN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235918218 778608646 /nfs/dbraw/zinc/60/86/46/778608646.db2.gz BVJXMDXXALIEEY-UHFFFAOYSA-N 1 3 290.410 2.867 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700820357 780727141 /nfs/dbraw/zinc/72/71/41/780727141.db2.gz XHQMENCLDZWPCA-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000700820357 780727145 /nfs/dbraw/zinc/72/71/45/780727145.db2.gz XHQMENCLDZWPCA-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000700820357 780727150 /nfs/dbraw/zinc/72/71/50/780727150.db2.gz XHQMENCLDZWPCA-KBPBESRZSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700820363 780726624 /nfs/dbraw/zinc/72/66/24/780726624.db2.gz XHQMENCLDZWPCA-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC[C@H]1CCCC[N@H+](C)C1 ZINC000700820363 780726627 /nfs/dbraw/zinc/72/66/27/780726627.db2.gz XHQMENCLDZWPCA-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000700820363 780726635 /nfs/dbraw/zinc/72/66/35/780726635.db2.gz XHQMENCLDZWPCA-ZIAGYGMSSA-N 1 3 251.418 2.636 20 30 CFEDHO C=CCCSCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594959762 349530284 /nfs/dbraw/zinc/53/02/84/349530284.db2.gz CLDWMGUBFQFZIZ-KGLIPLIRSA-N 1 3 254.443 2.512 20 30 CFEDHO C=CCCSCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594959762 349530286 /nfs/dbraw/zinc/53/02/86/349530286.db2.gz CLDWMGUBFQFZIZ-KGLIPLIRSA-N 1 3 254.443 2.512 20 30 CFEDHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375850 349612083 /nfs/dbraw/zinc/61/20/83/349612083.db2.gz FAKHJLLJVFLCDR-YJBOKZPZSA-N 1 3 285.435 2.763 20 30 CFEDHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375850 349612084 /nfs/dbraw/zinc/61/20/84/349612084.db2.gz FAKHJLLJVFLCDR-YJBOKZPZSA-N 1 3 285.435 2.763 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N)CCCC1 ZINC000596649337 349967974 /nfs/dbraw/zinc/96/79/74/349967974.db2.gz YVYBZBYBONULPK-MRXNPFEDSA-N 1 3 269.392 2.797 20 30 CFEDHO CC(C)CC[NH+]1CCC(CNCc2ccc(C#N)o2)CC1 ZINC000080374351 347356268 /nfs/dbraw/zinc/35/62/68/347356268.db2.gz OVBOYWJCYICGDT-UHFFFAOYSA-N 1 3 289.423 2.999 20 30 CFEDHO C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[NH2+]C1 ZINC000591578093 349032084 /nfs/dbraw/zinc/03/20/84/349032084.db2.gz XZGGAYZRQMKPBB-QANKJYHBSA-N 1 3 283.419 2.913 20 30 CFEDHO CC(C)CN(C)CCC[NH2+]CC(C)(C)CCC#N ZINC000593646405 349302926 /nfs/dbraw/zinc/30/29/26/349302926.db2.gz PAUMRWLRYVKNPM-UHFFFAOYSA-N 1 3 253.434 2.884 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@@H](C#N)C1 ZINC000593646943 349303948 /nfs/dbraw/zinc/30/39/48/349303948.db2.gz UKGIKRGDQPVKPK-CABCVRRESA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@@H](C#N)C1 ZINC000593646943 349303954 /nfs/dbraw/zinc/30/39/54/349303954.db2.gz UKGIKRGDQPVKPK-CABCVRRESA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000593646945 349304188 /nfs/dbraw/zinc/30/41/88/349304188.db2.gz UKGIKRGDQPVKPK-HUUCEWRRSA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000593646945 349304192 /nfs/dbraw/zinc/30/41/92/349304192.db2.gz UKGIKRGDQPVKPK-HUUCEWRRSA-N 1 3 251.418 2.636 20 30 CFEDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009803 350015057 /nfs/dbraw/zinc/01/50/57/350015057.db2.gz LKAOAZHMBPCIPC-INIZCTEOSA-N 1 3 283.419 2.625 20 30 CFEDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009803 350015060 /nfs/dbraw/zinc/01/50/60/350015060.db2.gz LKAOAZHMBPCIPC-INIZCTEOSA-N 1 3 283.419 2.625 20 30 CFEDHO N#Cc1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000598679297 350309568 /nfs/dbraw/zinc/30/95/68/350309568.db2.gz FJCCCHCNKZPIPY-FUHWJXTLSA-N 1 3 283.419 2.770 20 30 CFEDHO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1C#N ZINC000599428811 350435793 /nfs/dbraw/zinc/43/57/93/350435793.db2.gz QCASCXKYYLBJNZ-GOSISDBHSA-N 1 3 283.419 2.784 20 30 CFEDHO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1C#N ZINC000599428811 350435795 /nfs/dbraw/zinc/43/57/95/350435795.db2.gz QCASCXKYYLBJNZ-GOSISDBHSA-N 1 3 283.419 2.784 20 30 CFEDHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000602488658 350904338 /nfs/dbraw/zinc/90/43/38/350904338.db2.gz ZVGQSYWODPSYLT-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000602488658 350904339 /nfs/dbraw/zinc/90/43/39/350904339.db2.gz ZVGQSYWODPSYLT-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602488658 350904341 /nfs/dbraw/zinc/90/43/41/350904341.db2.gz ZVGQSYWODPSYLT-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602488658 350904342 /nfs/dbraw/zinc/90/43/42/350904342.db2.gz ZVGQSYWODPSYLT-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CC[C@H](CN[C@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602509794 350909526 /nfs/dbraw/zinc/90/95/26/350909526.db2.gz SWANKRNWTYBQOU-HZPDHXFCSA-N 1 3 293.455 2.549 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000602592677 350939088 /nfs/dbraw/zinc/93/90/88/350939088.db2.gz JVYUPZBOUWGGHA-CQSZACIVSA-N 1 3 259.397 2.778 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3cc(C#N)ccc3F)C2)CC1 ZINC000602876625 351055406 /nfs/dbraw/zinc/05/54/06/351055406.db2.gz HNAKCMJEQHLDBY-UHFFFAOYSA-N 1 3 287.382 2.615 20 30 CFEDHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000611388853 351679159 /nfs/dbraw/zinc/67/91/59/351679159.db2.gz KUQVCMNTOPUJLX-BBRMVZONSA-N 1 3 257.381 2.693 20 30 CFEDHO Cc1cc(C[NH2+]CCCN2CCCCC2)ccc1C#N ZINC000443987359 241101959 /nfs/dbraw/zinc/10/19/59/241101959.db2.gz XRBJEHVTYGXHJE-UHFFFAOYSA-N 1 3 271.408 2.832 20 30 CFEDHO Cc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1C#N ZINC000443988264 241102994 /nfs/dbraw/zinc/10/29/94/241102994.db2.gz ITQDMDGYHFSTKC-UHFFFAOYSA-N 1 3 259.397 2.544 20 30 CFEDHO C[C@H](CNC(=[NH2+])Nc1ccccc1)N1CCC[C@H](C)C1 ZINC000264115597 383697975 /nfs/dbraw/zinc/69/79/75/383697975.db2.gz SNJZMDUWOZRBIN-UONOGXRCSA-N 1 3 274.412 2.534 20 30 CFEDHO N#CCSCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134906083 378062793 /nfs/dbraw/zinc/06/27/93/378062793.db2.gz MXWVYDLDOSYBKW-HOCLYGCPSA-N 1 3 293.480 2.582 20 30 CFEDHO N#CCSCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134906083 378062796 /nfs/dbraw/zinc/06/27/96/378062796.db2.gz MXWVYDLDOSYBKW-HOCLYGCPSA-N 1 3 293.480 2.582 20 30 CFEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCCC#N ZINC000348309307 284690345 /nfs/dbraw/zinc/69/03/45/284690345.db2.gz FQWMZBKGWBGPJD-LSDHHAIUSA-N 1 3 251.418 2.780 20 30 CFEDHO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000152066174 378390107 /nfs/dbraw/zinc/39/01/07/378390107.db2.gz FBSJWBYALGGIEI-SQNIBIBYSA-N 1 3 293.499 2.757 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358425174 380839428 /nfs/dbraw/zinc/83/94/28/380839428.db2.gz LDQVWBBBDZNQHV-CABCVRRESA-N 1 3 291.439 2.649 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358425174 380839436 /nfs/dbraw/zinc/83/94/36/380839436.db2.gz LDQVWBBBDZNQHV-CABCVRRESA-N 1 3 291.439 2.649 20 30 CFEDHO C[NH+](C)Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349826871 381993035 /nfs/dbraw/zinc/99/30/35/381993035.db2.gz FIDNUABOUARXCY-HZPDHXFCSA-N 1 3 257.381 2.530 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000345819648 382315766 /nfs/dbraw/zinc/31/57/66/382315766.db2.gz SBZKBMIMPUDBPL-GJZGRUSLSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345819648 382315770 /nfs/dbraw/zinc/31/57/70/382315770.db2.gz SBZKBMIMPUDBPL-GJZGRUSLSA-N 1 3 299.418 2.837 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1C#N ZINC000353611983 382576871 /nfs/dbraw/zinc/57/68/71/382576871.db2.gz PUWXGGWYRBWERV-BBWFWOEESA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1C#N ZINC000353611983 382576878 /nfs/dbraw/zinc/57/68/78/382576878.db2.gz PUWXGGWYRBWERV-BBWFWOEESA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1C#N ZINC000353611983 382576882 /nfs/dbraw/zinc/57/68/82/382576882.db2.gz PUWXGGWYRBWERV-BBWFWOEESA-N 1 3 299.418 2.529 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(C#N)n(C)c1 ZINC000190772142 382680311 /nfs/dbraw/zinc/68/03/11/382680311.db2.gz FQCYYGHKXMXYSI-OAHLLOKOSA-N 1 3 288.439 2.641 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(C#N)n(C)c1 ZINC000190772142 382680312 /nfs/dbraw/zinc/68/03/12/382680312.db2.gz FQCYYGHKXMXYSI-OAHLLOKOSA-N 1 3 288.439 2.641 20 30 CFEDHO C=CCOc1ccccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000442918496 382963753 /nfs/dbraw/zinc/96/37/53/382963753.db2.gz GYVJJTVVPSLXLN-HNNXBMFYSA-N 1 3 274.408 2.812 20 30 CFEDHO C[N@H+](CCCN[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442635615 382940211 /nfs/dbraw/zinc/94/02/11/382940211.db2.gz KCSPZMSUFRVBED-IAGOWNOFSA-N 1 3 271.408 2.790 20 30 CFEDHO C[N@@H+](CCCN[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442635615 382940215 /nfs/dbraw/zinc/94/02/15/382940215.db2.gz KCSPZMSUFRVBED-IAGOWNOFSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccc(C#N)cc1F ZINC000423033510 383022749 /nfs/dbraw/zinc/02/27/49/383022749.db2.gz ONGRSHRZGRWXFX-NEPJUHHUSA-N 1 3 263.360 2.865 20 30 CFEDHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(C#N)cc1 ZINC000424381073 383205273 /nfs/dbraw/zinc/20/52/73/383205273.db2.gz YEKUEJMTJQMSSY-BZUAXINKSA-N 1 3 257.381 2.869 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174712 383162567 /nfs/dbraw/zinc/16/25/67/383162567.db2.gz QDQSGINDLRTPIP-CXHZTBPHSA-N 1 3 297.402 2.524 20 30 CFEDHO C=CCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471842830 383379995 /nfs/dbraw/zinc/37/99/95/383379995.db2.gz DKUUOEKKUWWCFN-SJORKVTESA-N 1 3 258.409 2.845 20 30 CFEDHO C=CCC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CC1 ZINC000635008266 383464473 /nfs/dbraw/zinc/46/44/73/383464473.db2.gz IOUGEBHICONZBM-INIZCTEOSA-N 1 3 286.423 2.648 20 30 CFEDHO N#Cc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)s1 ZINC000267208423 384324580 /nfs/dbraw/zinc/32/45/80/384324580.db2.gz QDEIOHDXJPSHDA-UHFFFAOYSA-N 1 3 275.421 2.726 20 30 CFEDHO N#Cc1ccc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000278297353 384521637 /nfs/dbraw/zinc/52/16/37/384521637.db2.gz CIJVQTGAEWOWTI-UHFFFAOYSA-N 1 3 275.421 2.584 20 30 CFEDHO C[C@@H]([NH2+]CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272496959 385552604 /nfs/dbraw/zinc/55/26/04/385552604.db2.gz NLSWJUAGVLBELC-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H](NCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496959 385552609 /nfs/dbraw/zinc/55/26/09/385552609.db2.gz NLSWJUAGVLBELC-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H](NCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272496959 385552610 /nfs/dbraw/zinc/55/26/10/385552610.db2.gz NLSWJUAGVLBELC-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCCC#N ZINC000273183466 385673349 /nfs/dbraw/zinc/67/33/49/385673349.db2.gz FKANEVLVFALTRS-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCCC#N ZINC000273183466 385673353 /nfs/dbraw/zinc/67/33/53/385673353.db2.gz FKANEVLVFALTRS-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO CC(C)(N)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000335598745 393682967 /nfs/dbraw/zinc/68/29/67/393682967.db2.gz MCRGKJWYIBPDPW-HNNXBMFYSA-N 1 3 257.381 2.653 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442858441 394140544 /nfs/dbraw/zinc/14/05/44/394140544.db2.gz HWVRCTWNBJDMKZ-SQNIBIBYSA-N 1 3 283.419 2.790 20 30 CFEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442858441 394140547 /nfs/dbraw/zinc/14/05/47/394140547.db2.gz HWVRCTWNBJDMKZ-SQNIBIBYSA-N 1 3 283.419 2.790 20 30 CFEDHO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)c(F)c1 ZINC000421358226 394198943 /nfs/dbraw/zinc/19/89/43/394198943.db2.gz SMZUZLHGDCDKBF-UHFFFAOYSA-N 1 3 277.387 2.861 20 30 CFEDHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)c(F)c1 ZINC000421358226 394198944 /nfs/dbraw/zinc/19/89/44/394198944.db2.gz SMZUZLHGDCDKBF-UHFFFAOYSA-N 1 3 277.387 2.861 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](N)C1CC1 ZINC000423339251 394278272 /nfs/dbraw/zinc/27/82/72/394278272.db2.gz ZKNYWAKETJHTIW-IRXDYDNUSA-N 1 3 269.392 2.653 20 30 CFEDHO C=CC(C)(C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648733039 395289746 /nfs/dbraw/zinc/28/97/46/395289746.db2.gz QSTJVCJMXQUTJP-UHFFFAOYSA-N 1 3 276.424 2.929 20 30 CFEDHO CSC1(C[NH2+]Cc2cc(C#N)cs2)CCN(C)CC1 ZINC000353222418 163320375 /nfs/dbraw/zinc/32/03/75/163320375.db2.gz GSTMOFQADFQKHX-UHFFFAOYSA-N 1 3 295.477 2.537 20 30 CFEDHO CSC1(CNCc2cc(C#N)cs2)CC[NH+](C)CC1 ZINC000353222418 163320379 /nfs/dbraw/zinc/32/03/79/163320379.db2.gz GSTMOFQADFQKHX-UHFFFAOYSA-N 1 3 295.477 2.537 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000353390490 163357837 /nfs/dbraw/zinc/35/78/37/163357837.db2.gz UWVQTTYNNBBTNR-QGZVFWFLSA-N 1 3 269.392 2.621 20 30 CFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000657872648 414015595 /nfs/dbraw/zinc/01/55/95/414015595.db2.gz OQURWTKIPGUEAD-ZWKOTPCHSA-N 1 3 293.499 2.739 20 30 CFEDHO CCC[N@H+](Cc1cccc(C#N)c1)C1CCNCC1 ZINC000037538943 173258725 /nfs/dbraw/zinc/25/87/25/173258725.db2.gz VXTABPOSKHYECA-UHFFFAOYSA-N 1 3 257.381 2.522 20 30 CFEDHO CCC[N@@H+](Cc1cccc(C#N)c1)C1CCNCC1 ZINC000037538943 173258727 /nfs/dbraw/zinc/25/87/27/173258727.db2.gz VXTABPOSKHYECA-UHFFFAOYSA-N 1 3 257.381 2.522 20 30 CFEDHO C[NH+](C)CCC1CCN(CCC(C)(C)C#N)CC1 ZINC000119665939 260634999 /nfs/dbraw/zinc/63/49/99/260634999.db2.gz BHANKXUKZGFJNA-UHFFFAOYSA-N 1 3 251.418 2.590 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000360954208 261137503 /nfs/dbraw/zinc/13/75/03/261137503.db2.gz FTDBXNKEYGRILU-IKGGRYGDSA-N 1 3 282.472 2.804 20 30 CFEDHO C=CCC[C@H](O)CN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360954208 261137505 /nfs/dbraw/zinc/13/75/05/261137505.db2.gz FTDBXNKEYGRILU-IKGGRYGDSA-N 1 3 282.472 2.804 20 30 CFEDHO CN(C)CC1(CNC(=[NH2+])Nc2ccccc2)CCCC1 ZINC000273531665 263017809 /nfs/dbraw/zinc/01/78/09/263017809.db2.gz YZEXYGPUUYILKR-UHFFFAOYSA-N 1 3 274.412 2.535 20 30 CFEDHO C=CCOc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414814648 263053541 /nfs/dbraw/zinc/05/35/41/263053541.db2.gz ZNDLXPSDPMGUBV-WBVHZDCISA-N 1 3 274.408 2.859 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290609465 275387181 /nfs/dbraw/zinc/38/71/81/275387181.db2.gz WJIZBIHEUUDPPR-ROUUACIJSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290609465 275387182 /nfs/dbraw/zinc/38/71/82/275387182.db2.gz WJIZBIHEUUDPPR-ROUUACIJSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290609465 275387183 /nfs/dbraw/zinc/38/71/83/275387183.db2.gz WJIZBIHEUUDPPR-ROUUACIJSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290609465 275387184 /nfs/dbraw/zinc/38/71/84/275387184.db2.gz WJIZBIHEUUDPPR-ROUUACIJSA-N 1 3 268.404 2.584 20 30 CFEDHO C[C@@H](CCN[C@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897931 329334788 /nfs/dbraw/zinc/33/47/88/329334788.db2.gz KZMWCLFREZXVLM-JYJNAYRXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCCCC1 ZINC000185897931 329334789 /nfs/dbraw/zinc/33/47/89/329334789.db2.gz KZMWCLFREZXVLM-JYJNAYRXSA-N 1 3 263.429 2.923 20 30 CFEDHO CC(C)(C#N)CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174871520 329164235 /nfs/dbraw/zinc/16/42/35/329164235.db2.gz OOOGWQLETZIEAM-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000174871520 329164236 /nfs/dbraw/zinc/16/42/36/329164236.db2.gz OOOGWQLETZIEAM-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(C#N)CCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000174871520 329164237 /nfs/dbraw/zinc/16/42/37/329164237.db2.gz OOOGWQLETZIEAM-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO N#CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423153177 330173092 /nfs/dbraw/zinc/17/30/92/330173092.db2.gz GHFGGAOSLZESPQ-YXAMBPQSSA-N 1 3 255.365 2.803 20 30 CFEDHO C=C[C@@H]1OCCC[C@H]1N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423155249 330173338 /nfs/dbraw/zinc/17/33/38/330173338.db2.gz QIVRMJVYATYLBB-QXSJWSMHSA-N 1 3 266.429 2.620 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423165873 330173842 /nfs/dbraw/zinc/17/38/42/330173842.db2.gz BLWYJVQEOMGFMG-QLFBSQMISA-N 1 3 263.429 2.827 20 30 CFEDHO C=CCCC[C@@H](C)[NH+]1CCC(CO)(NCC2CC2)CC1 ZINC000517155089 333093510 /nfs/dbraw/zinc/09/35/10/333093510.db2.gz YTFGGSPZZZAETF-OAHLLOKOSA-N 1 3 280.456 2.558 20 30 CFEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423098780 534805378 /nfs/dbraw/zinc/80/53/78/534805378.db2.gz LKVOTEFRFIYCAT-KSZLIROESA-N 1 3 283.419 2.611 20 30 CFEDHO C=C(C)C[NH+]1CCC(NCc2ccc(N(C)C)cc2)CC1 ZINC000106245995 526603804 /nfs/dbraw/zinc/60/38/04/526603804.db2.gz HLZQSEIWICYFMF-UHFFFAOYSA-N 1 3 287.451 2.883 20 30 CFEDHO C=C1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000353313134 526905435 /nfs/dbraw/zinc/90/54/35/526905435.db2.gz ZMFQYQRBCUCRBQ-UHFFFAOYSA-N 1 3 299.462 2.981 20 30 CFEDHO C=C1CCN(Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000353313134 526905442 /nfs/dbraw/zinc/90/54/42/526905442.db2.gz ZMFQYQRBCUCRBQ-UHFFFAOYSA-N 1 3 299.462 2.981 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(C)(C)C#N)[C@@H](C)C1 ZINC000347198372 528667858 /nfs/dbraw/zinc/66/78/58/528667858.db2.gz LKSNCBLPMSJOLS-HOTGVXAUSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(C)(C)C#N)[C@@H](C)C1 ZINC000347198372 528667865 /nfs/dbraw/zinc/66/78/65/528667865.db2.gz LKSNCBLPMSJOLS-HOTGVXAUSA-N 1 3 295.471 2.653 20 30 CFEDHO CCCCCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000158391515 618054736 /nfs/dbraw/zinc/05/47/36/618054736.db2.gz JPXAYIBBMKVRTG-UHFFFAOYSA-N 1 3 270.461 2.735 20 30 CFEDHO CC1(C)C[C@@H](NCc2cccc(C#N)c2)C[C@@H]([NH3+])C1 ZINC000925608162 618301541 /nfs/dbraw/zinc/30/15/41/618301541.db2.gz ZVMZIGBEVOXDIB-CABCVRRESA-N 1 3 257.381 2.554 20 30 CFEDHO CCC1([NH+]2CCC2)CCN(C[C@@H](C)CCC#N)CC1 ZINC000895821610 619614784 /nfs/dbraw/zinc/61/47/84/619614784.db2.gz FPMABLYVQHZYFV-HNNXBMFYSA-N 1 3 263.429 2.877 20 30 CFEDHO CCC1(N2CCC2)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000895821610 619614786 /nfs/dbraw/zinc/61/47/86/619614786.db2.gz FPMABLYVQHZYFV-HNNXBMFYSA-N 1 3 263.429 2.877 20 30 CFEDHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C#N)c1 ZINC000902998726 621224478 /nfs/dbraw/zinc/22/44/78/621224478.db2.gz HOWWYIZXDPUIJM-XJKSGUPXSA-N 1 3 259.397 2.797 20 30 CFEDHO C#CCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000766895485 624512174 /nfs/dbraw/zinc/51/21/74/624512174.db2.gz KNEJVHZYHASNRC-KRWDZBQOSA-N 1 3 262.441 2.844 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000921715150 626097811 /nfs/dbraw/zinc/09/78/11/626097811.db2.gz DZKBVHHAQPSLIU-HNNXBMFYSA-N 1 3 271.408 2.607 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000921715150 626097812 /nfs/dbraw/zinc/09/78/12/626097812.db2.gz DZKBVHHAQPSLIU-HNNXBMFYSA-N 1 3 271.408 2.607 20 30 CFEDHO C#C[C@H](C)N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000775179241 627998318 /nfs/dbraw/zinc/99/83/18/627998318.db2.gz MAFRQZRVEPPXLX-INIZCTEOSA-N 1 3 286.419 2.615 20 30 CFEDHO C#CCCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844328869 632170976 /nfs/dbraw/zinc/17/09/76/632170976.db2.gz ZMZALCOWCDMUTJ-HNNXBMFYSA-N 1 3 276.449 2.834 20 30 CFEDHO C#CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844328869 632170978 /nfs/dbraw/zinc/17/09/78/632170978.db2.gz ZMZALCOWCDMUTJ-HNNXBMFYSA-N 1 3 276.449 2.834 20 30 CFEDHO CCN(CC)c1ccc(/C=[NH+]\CC[C@H](C)[NH+](C)C)c([O-])c1 ZINC000849170486 633577812 /nfs/dbraw/zinc/57/78/12/633577812.db2.gz PXZZHYSPQFVDNJ-RVAQLADHSA-N 1 3 291.439 2.998 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@H]1CCN(CCC)C1 ZINC000876964217 643084241 /nfs/dbraw/zinc/08/42/41/643084241.db2.gz VHBJFAARTCPUMK-MRXNPFEDSA-N 1 3 250.430 2.892 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)c1 ZINC000303891177 651006449 /nfs/dbraw/zinc/00/64/49/651006449.db2.gz QKNRYBVDRMSQLC-HNNXBMFYSA-N 1 3 288.439 2.842 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)[C@H]1CCCO1 ZINC000883174219 645641102 /nfs/dbraw/zinc/64/11/02/645641102.db2.gz FLWWZUIYFWCHDA-IXDOHACOSA-N 1 3 280.456 2.822 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000883389890 645788148 /nfs/dbraw/zinc/78/81/48/645788148.db2.gz BBEZUWFBRKNKKY-NXHRZFHOSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCSCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925591600 648230896 /nfs/dbraw/zinc/23/08/96/648230896.db2.gz RCDYNIOWZREOHK-HUUCEWRRSA-N 1 3 268.470 2.664 20 30 CFEDHO C=CC(C)(C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925683265 648277928 /nfs/dbraw/zinc/27/79/28/648277928.db2.gz NLISUSHJHXSELW-HUUCEWRRSA-N 1 3 250.430 2.957 20 30 CFEDHO C=CCCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001209207908 770015395 /nfs/dbraw/zinc/01/53/95/770015395.db2.gz HRMUDYUDLJUMRR-UHFFFAOYSA-N 1 3 259.397 2.868 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000692273277 770249165 /nfs/dbraw/zinc/24/91/65/770249165.db2.gz RFXHBHHNRICJCM-ONNAEPBLSA-N 1 3 260.425 2.707 20 30 CFEDHO CC(C)C[C@H](N)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594581031 349451186 /nfs/dbraw/zinc/45/11/86/349451186.db2.gz DMEZKEQCIBPYOQ-INIZCTEOSA-N 1 3 271.408 2.900 20 30 CFEDHO C[C@H]([NH3+])C[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584668 349451515 /nfs/dbraw/zinc/45/15/15/349451515.db2.gz ADWYLSQEQZBGAO-STQMWFEESA-N 1 3 257.381 2.653 20 30 CFEDHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344439 349606313 /nfs/dbraw/zinc/60/63/13/349606313.db2.gz FICHUYMVGPZIIO-ROUUACIJSA-N 1 3 283.419 2.517 20 30 CFEDHO C[N@H+]1CCC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344439 349606315 /nfs/dbraw/zinc/60/63/15/349606315.db2.gz FICHUYMVGPZIIO-ROUUACIJSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344439 349606318 /nfs/dbraw/zinc/60/63/18/349606318.db2.gz FICHUYMVGPZIIO-ROUUACIJSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344439 349606322 /nfs/dbraw/zinc/60/63/22/349606322.db2.gz FICHUYMVGPZIIO-ROUUACIJSA-N 1 3 283.419 2.517 20 30 CFEDHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346838 349607141 /nfs/dbraw/zinc/60/71/41/349607141.db2.gz MGYLJZRVSAFPIR-MAUKXSAKSA-N 1 3 285.435 2.905 20 30 CFEDHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346838 349607144 /nfs/dbraw/zinc/60/71/44/349607144.db2.gz MGYLJZRVSAFPIR-MAUKXSAKSA-N 1 3 285.435 2.905 20 30 CFEDHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644861 /nfs/dbraw/zinc/64/48/61/349644861.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 3 283.419 2.670 20 30 CFEDHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644863 /nfs/dbraw/zinc/64/48/63/349644863.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 3 283.419 2.670 20 30 CFEDHO N#Cc1ccc(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000595895754 349764232 /nfs/dbraw/zinc/76/42/32/349764232.db2.gz UKONSEKYOHKBMT-ZWKOTPCHSA-N 1 3 283.419 2.565 20 30 CFEDHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577522 349030845 /nfs/dbraw/zinc/03/08/45/349030845.db2.gz YJYQQFLQASYEJR-HZPDHXFCSA-N 1 3 257.381 2.509 20 30 CFEDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000599071784 350370683 /nfs/dbraw/zinc/37/06/83/350370683.db2.gz SWIKSMHOZHEHNP-GOEBONIOSA-N 1 3 271.408 2.941 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602700673 350986936 /nfs/dbraw/zinc/98/69/36/350986936.db2.gz VNLDNSKTIWLASG-INIZCTEOSA-N 1 3 295.471 2.653 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602700673 350986940 /nfs/dbraw/zinc/98/69/40/350986940.db2.gz VNLDNSKTIWLASG-INIZCTEOSA-N 1 3 295.471 2.653 20 30 CFEDHO C=CCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000154793947 188162244 /nfs/dbraw/zinc/16/22/44/188162244.db2.gz NFMZYEMJAMDZEK-UHFFFAOYSA-N 1 3 287.451 2.835 20 30 CFEDHO N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422988436 283214739 /nfs/dbraw/zinc/21/47/39/283214739.db2.gz KLJPUEDCRBADQP-ZBFHGGJFSA-N 1 3 289.448 2.508 20 30 CFEDHO C=CCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414908270 540830658 /nfs/dbraw/zinc/83/06/58/540830658.db2.gz BEXWPPKUZNDGTK-CABCVRRESA-N 1 3 260.381 2.611 20 30 CFEDHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1C#N ZINC000443979747 241099554 /nfs/dbraw/zinc/09/95/54/241099554.db2.gz BKTPKUXQTQHQMA-UHFFFAOYSA-N 1 3 283.419 2.831 20 30 CFEDHO Cc1cc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)ccc1C#N ZINC000443994300 241105237 /nfs/dbraw/zinc/10/52/37/241105237.db2.gz NZRDWLMWQWVTIW-SJORKVTESA-N 1 3 271.408 2.829 20 30 CFEDHO CC[N@H+](CCC1CCN(CC#CCOC)CC1)CC(C)C ZINC000678635279 542056283 /nfs/dbraw/zinc/05/62/83/542056283.db2.gz RACRKZUNNLQWLL-UHFFFAOYSA-N 1 3 294.483 2.716 20 30 CFEDHO CC[N@@H+](CCC1CCN(CC#CCOC)CC1)CC(C)C ZINC000678635279 542056285 /nfs/dbraw/zinc/05/62/85/542056285.db2.gz RACRKZUNNLQWLL-UHFFFAOYSA-N 1 3 294.483 2.716 20 30 CFEDHO N#CCCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122142759 376922506 /nfs/dbraw/zinc/92/25/06/376922506.db2.gz MEDOBPKDRXYUIQ-UHFFFAOYSA-N 1 3 263.429 2.878 20 30 CFEDHO Cc1cc(CN2CCCC23CC[NH+](C)CC3)ccc1C#N ZINC000335801253 379911499 /nfs/dbraw/zinc/91/14/99/379911499.db2.gz XWBSSGQEMJKNTI-UHFFFAOYSA-N 1 3 283.419 2.927 20 30 CFEDHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1C#N ZINC000335801253 379911505 /nfs/dbraw/zinc/91/15/05/379911505.db2.gz XWBSSGQEMJKNTI-UHFFFAOYSA-N 1 3 283.419 2.927 20 30 CFEDHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1C#N ZINC000335801253 379911512 /nfs/dbraw/zinc/91/15/12/379911512.db2.gz XWBSSGQEMJKNTI-UHFFFAOYSA-N 1 3 283.419 2.927 20 30 CFEDHO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C#N ZINC000335945392 380140055 /nfs/dbraw/zinc/14/00/55/380140055.db2.gz KYTNKOCPVSFHIR-JWTNVVGKSA-N 1 3 283.419 2.924 20 30 CFEDHO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C#N ZINC000335945392 380140060 /nfs/dbraw/zinc/14/00/60/380140060.db2.gz KYTNKOCPVSFHIR-JWTNVVGKSA-N 1 3 283.419 2.924 20 30 CFEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(C#N)cc1)C2 ZINC000336528533 380418404 /nfs/dbraw/zinc/41/84/04/380418404.db2.gz JABDMCAZAZLRHO-SJPCQFCGSA-N 1 3 269.392 2.615 20 30 CFEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC000336528533 380418408 /nfs/dbraw/zinc/41/84/08/380418408.db2.gz JABDMCAZAZLRHO-SJPCQFCGSA-N 1 3 269.392 2.615 20 30 CFEDHO C#CCCC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368654238 381098851 /nfs/dbraw/zinc/09/88/51/381098851.db2.gz ZIGYCCKJISMQOG-KRWDZBQOSA-N 1 3 298.430 2.978 20 30 CFEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCCC#N ZINC000348309304 381496979 /nfs/dbraw/zinc/49/69/79/381496979.db2.gz FQWMZBKGWBGPJD-GJZGRUSLSA-N 1 3 251.418 2.780 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)CC#N)[C@@H](C)C1 ZINC000414166331 381565822 /nfs/dbraw/zinc/56/58/22/381565822.db2.gz NIMODUFEMVQVBQ-HOTGVXAUSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@H](NCC(C)(C)CC#N)[C@@H](C)C1 ZINC000414166331 381565831 /nfs/dbraw/zinc/56/58/31/381565831.db2.gz NIMODUFEMVQVBQ-HOTGVXAUSA-N 1 3 295.471 2.653 20 30 CFEDHO CN(C)CC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000185291882 381588474 /nfs/dbraw/zinc/58/84/74/381588474.db2.gz FRDXUUZPDMGKQW-UHFFFAOYSA-N 1 3 271.408 2.770 20 30 CFEDHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000349690454 381985178 /nfs/dbraw/zinc/98/51/78/381985178.db2.gz GJTBGAPDDBKIGX-HNNXBMFYSA-N 1 3 289.423 2.567 20 30 CFEDHO C=CCN(C[C@H](O)C[N@@H+](C)C1CC1)CC1CCCCC1 ZINC000351494174 382040113 /nfs/dbraw/zinc/04/01/13/382040113.db2.gz NSOPOQQDUYEHRA-QGZVFWFLSA-N 1 3 280.456 2.510 20 30 CFEDHO C=CCN(C[C@H](O)C[N@H+](C)C1CC1)CC1CCCCC1 ZINC000351494174 382040121 /nfs/dbraw/zinc/04/01/21/382040121.db2.gz NSOPOQQDUYEHRA-QGZVFWFLSA-N 1 3 280.456 2.510 20 30 CFEDHO C[NH+](C)[C@H]1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000375625980 382094168 /nfs/dbraw/zinc/09/41/68/382094168.db2.gz QMRZDUWGJGSKKJ-INIZCTEOSA-N 1 3 293.455 2.503 20 30 CFEDHO CN(C)[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375625980 382094175 /nfs/dbraw/zinc/09/41/75/382094175.db2.gz QMRZDUWGJGSKKJ-INIZCTEOSA-N 1 3 293.455 2.503 20 30 CFEDHO CN(C)[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375625980 382094180 /nfs/dbraw/zinc/09/41/80/382094180.db2.gz QMRZDUWGJGSKKJ-INIZCTEOSA-N 1 3 293.455 2.503 20 30 CFEDHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(C)C#N ZINC000345789327 382313086 /nfs/dbraw/zinc/31/30/86/382313086.db2.gz GKFJXQXWZBJXHE-OAHLLOKOSA-N 1 3 287.407 2.517 20 30 CFEDHO C=CCOc1ccccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346859991 382549152 /nfs/dbraw/zinc/54/91/52/382549152.db2.gz ZUIWNMOXIBYOSW-BHYGNILZSA-N 1 3 286.419 2.811 20 30 CFEDHO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000358304325 382558126 /nfs/dbraw/zinc/55/81/26/382558126.db2.gz RRHHFPXZRAVCQM-ZIAGYGMSSA-N 1 3 262.397 2.852 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]2CCC[C@H]21 ZINC000421874452 382956628 /nfs/dbraw/zinc/95/66/28/382956628.db2.gz IJJRYDSYJKLVAR-QLFBSQMISA-N 1 3 275.421 2.582 20 30 CFEDHO CC[C@@H](N)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423441167 383097412 /nfs/dbraw/zinc/09/74/12/383097412.db2.gz AXECNYRLPFZKHS-ZBFHGGJFSA-N 1 3 257.381 2.653 20 30 CFEDHO N#CCSCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246803127 383106527 /nfs/dbraw/zinc/10/65/27/383106527.db2.gz MXWVYDLDOSYBKW-GDBMZVCRSA-N 1 3 293.480 2.582 20 30 CFEDHO N#CCSCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246803127 383106528 /nfs/dbraw/zinc/10/65/28/383106528.db2.gz MXWVYDLDOSYBKW-GDBMZVCRSA-N 1 3 293.480 2.582 20 30 CFEDHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482241 383113856 /nfs/dbraw/zinc/11/38/56/383113856.db2.gz OWCRJMUXNXXMOB-GXTWGEPZSA-N 1 3 275.371 2.880 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000449092279 383171609 /nfs/dbraw/zinc/17/16/09/383171609.db2.gz TYAFLENREHDUCH-FYRZTWFESA-N 1 3 261.413 2.675 20 30 CFEDHO C[C@H](CCN[C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000248816616 383292766 /nfs/dbraw/zinc/29/27/66/383292766.db2.gz KZMWCLFREZXVLM-OAGGEKHMSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)N1CCCCC1 ZINC000248816616 383292769 /nfs/dbraw/zinc/29/27/69/383292769.db2.gz KZMWCLFREZXVLM-OAGGEKHMSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000248849379 383297799 /nfs/dbraw/zinc/29/77/99/383297799.db2.gz OOBRQBQGIKCHGU-QBPKDAKJSA-N 1 3 293.455 2.548 20 30 CFEDHO C=CCC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449694686 383360638 /nfs/dbraw/zinc/36/06/38/383360638.db2.gz CDLLUNJVMKFTIH-INIZCTEOSA-N 1 3 280.456 2.700 20 30 CFEDHO C=CCC[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449694686 383360640 /nfs/dbraw/zinc/36/06/40/383360640.db2.gz CDLLUNJVMKFTIH-INIZCTEOSA-N 1 3 280.456 2.700 20 30 CFEDHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271972508 385414922 /nfs/dbraw/zinc/41/49/22/385414922.db2.gz UVUVGXHRROOZCF-LBPRGKRZSA-N 1 3 273.355 2.610 20 30 CFEDHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271972508 385414926 /nfs/dbraw/zinc/41/49/26/385414926.db2.gz UVUVGXHRROOZCF-LBPRGKRZSA-N 1 3 273.355 2.610 20 30 CFEDHO CC(C#N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338108571 393774034 /nfs/dbraw/zinc/77/40/34/393774034.db2.gz WHTMGCDGZRHPLO-BFYDXBDKSA-N 1 3 299.418 2.563 20 30 CFEDHO CC(C#N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338108571 393774038 /nfs/dbraw/zinc/77/40/38/393774038.db2.gz WHTMGCDGZRHPLO-BFYDXBDKSA-N 1 3 299.418 2.563 20 30 CFEDHO C=CCOCCN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000339095036 393817903 /nfs/dbraw/zinc/81/79/03/393817903.db2.gz FBTUODBEQSHCPV-CVEARBPZSA-N 1 3 268.445 2.679 20 30 CFEDHO C=CCOCC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000339095036 393817909 /nfs/dbraw/zinc/81/79/09/393817909.db2.gz FBTUODBEQSHCPV-CVEARBPZSA-N 1 3 268.445 2.679 20 30 CFEDHO CC(C)[C@H](N)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423276027 394276280 /nfs/dbraw/zinc/27/62/80/394276280.db2.gz NXWYOGWGAJIGNJ-SJORKVTESA-N 1 3 271.408 2.899 20 30 CFEDHO C=C(C)[C@H](CO)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649353241 395476731 /nfs/dbraw/zinc/47/67/31/395476731.db2.gz PYNQFIDCBCHTJA-AEFFLSMTSA-N 1 3 294.483 2.900 20 30 CFEDHO C=C(C)[C@H](CO)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000649353241 395476733 /nfs/dbraw/zinc/47/67/33/395476733.db2.gz PYNQFIDCBCHTJA-AEFFLSMTSA-N 1 3 294.483 2.900 20 30 CFEDHO CC[NH+](CC)CCOCCN[C@H](C)c1cccc(C#N)c1 ZINC000349721095 163008227 /nfs/dbraw/zinc/00/82/27/163008227.db2.gz LXDDEBUXWKRFMC-OAHLLOKOSA-N 1 3 289.423 2.567 20 30 CFEDHO C=CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CCCC1 ZINC000665236269 414193922 /nfs/dbraw/zinc/19/39/22/414193922.db2.gz JMSIAMZYILCWIK-HRCADAONSA-N 1 3 280.456 2.855 20 30 CFEDHO C=CCC1([NH2+]CCCN2CCN(C(C)C)CC2)CCCC1 ZINC000661851352 414259303 /nfs/dbraw/zinc/25/93/03/414259303.db2.gz SNNZMOHUOPAQAP-UHFFFAOYSA-N 1 3 293.499 2.881 20 30 CFEDHO CN1CCC([C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000367688161 262249670 /nfs/dbraw/zinc/24/96/70/262249670.db2.gz OKAHDUZQVVVPLD-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO CN1CCC([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000367688161 262249671 /nfs/dbraw/zinc/24/96/71/262249671.db2.gz OKAHDUZQVVVPLD-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414932141 263137831 /nfs/dbraw/zinc/13/78/31/263137831.db2.gz VMEHPICCNRKJGY-CABCVRRESA-N 1 3 260.381 2.611 20 30 CFEDHO C=CC[C@@H](CO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000341876607 263360845 /nfs/dbraw/zinc/36/08/45/263360845.db2.gz NOKIJPTWPALRCO-OAHLLOKOSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CC[C@@H](CO)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000341876607 263360848 /nfs/dbraw/zinc/36/08/48/263360848.db2.gz NOKIJPTWPALRCO-OAHLLOKOSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000341891069 263363751 /nfs/dbraw/zinc/36/37/51/263363751.db2.gz UYWSYTFFVLCUHR-RYRKJORJSA-N 1 3 294.483 2.804 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000341890993 263364028 /nfs/dbraw/zinc/36/40/28/263364028.db2.gz UOZZYFKOTRBBNE-BQFCYCMXSA-N 1 3 294.483 2.804 20 30 CFEDHO C=CC[C@H](CO)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000341890993 263364031 /nfs/dbraw/zinc/36/40/31/263364031.db2.gz UOZZYFKOTRBBNE-BQFCYCMXSA-N 1 3 294.483 2.804 20 30 CFEDHO CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[C@H](C#N)C1 ZINC000442791150 265004843 /nfs/dbraw/zinc/00/48/43/265004843.db2.gz NEGMGKIHPUHOOX-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[C@H](C#N)C1 ZINC000442791150 265004846 /nfs/dbraw/zinc/00/48/46/265004846.db2.gz NEGMGKIHPUHOOX-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210412 288079801 /nfs/dbraw/zinc/07/98/01/288079801.db2.gz GETNAJYWDIPAAR-COXVUDFISA-N 1 3 271.408 2.987 20 30 CFEDHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000089142292 290043145 /nfs/dbraw/zinc/04/31/45/290043145.db2.gz IHKNEWASHWKIOV-MAZHCROVSA-N 1 3 257.381 2.726 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264147164 328157570 /nfs/dbraw/zinc/15/75/70/328157570.db2.gz YBNIDCGBXJQJOP-HNNXBMFYSA-N 1 3 274.412 2.514 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423097910 330169972 /nfs/dbraw/zinc/16/99/72/330169972.db2.gz BRCJLYRWCTVJBN-PBHICJAKSA-N 1 3 274.408 2.729 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000424378514 330349094 /nfs/dbraw/zinc/34/90/94/330349094.db2.gz SVZPECNYLJRQTJ-LYYZXLFJSA-N 1 3 261.413 2.579 20 30 CFEDHO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CN(C)C ZINC000491590468 332241794 /nfs/dbraw/zinc/24/17/94/332241794.db2.gz AGXWBQLVSCMNPO-OAHLLOKOSA-N 1 3 289.423 2.656 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000249384521 334333078 /nfs/dbraw/zinc/33/30/78/334333078.db2.gz YANBGHFCZOMOFL-CABCVRRESA-N 1 3 287.407 2.581 20 30 CFEDHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736645 528682737 /nfs/dbraw/zinc/68/27/37/528682737.db2.gz RPZWCLCJKVKGGM-NVXWUHKLSA-N 1 3 299.418 2.517 20 30 CFEDHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736645 528682743 /nfs/dbraw/zinc/68/27/43/528682743.db2.gz RPZWCLCJKVKGGM-NVXWUHKLSA-N 1 3 299.418 2.517 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000035011210 617608661 /nfs/dbraw/zinc/60/86/61/617608661.db2.gz VJOOZMNQWIPYGD-UHFFFAOYSA-N 1 3 287.407 2.553 20 30 CFEDHO C=C(CC[NH+](C)C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000900955505 620736905 /nfs/dbraw/zinc/73/69/05/620736905.db2.gz PQEFENUPOCBYBX-UHFFFAOYSA-N 1 3 289.423 2.503 20 30 CFEDHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(C)(C)C#N ZINC000926419297 618085099 /nfs/dbraw/zinc/08/50/99/618085099.db2.gz SFBTYOZLSMUSEU-KGLIPLIRSA-N 1 3 251.418 2.779 20 30 CFEDHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(C)(C)C#N ZINC000926419297 618085103 /nfs/dbraw/zinc/08/51/03/618085103.db2.gz SFBTYOZLSMUSEU-KGLIPLIRSA-N 1 3 251.418 2.779 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158153069 618188637 /nfs/dbraw/zinc/18/86/37/618188637.db2.gz GVHOKWZUMMZTDN-HOTGVXAUSA-N 1 3 286.419 2.691 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158153069 618188638 /nfs/dbraw/zinc/18/86/38/618188638.db2.gz GVHOKWZUMMZTDN-HOTGVXAUSA-N 1 3 286.419 2.691 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895297462 618519076 /nfs/dbraw/zinc/51/90/76/618519076.db2.gz MOZCRHKBBOQSHH-OAHLLOKOSA-N 1 3 274.408 2.519 20 30 CFEDHO CSc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000925774829 619093038 /nfs/dbraw/zinc/09/30/38/619093038.db2.gz XQJCWNMHZCCGOH-KGLIPLIRSA-N 1 3 275.421 2.640 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000926961464 620432209 /nfs/dbraw/zinc/43/22/09/620432209.db2.gz JJGFDAXYQJQYQZ-KZNAEPCWSA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000926961464 620432211 /nfs/dbraw/zinc/43/22/11/620432211.db2.gz JJGFDAXYQJQYQZ-KZNAEPCWSA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000926961464 620432212 /nfs/dbraw/zinc/43/22/12/620432212.db2.gz JJGFDAXYQJQYQZ-KZNAEPCWSA-N 1 3 283.419 2.829 20 30 CFEDHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752072 621164793 /nfs/dbraw/zinc/16/47/93/621164793.db2.gz GCSXEQKDRVOOAR-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752072 621164796 /nfs/dbraw/zinc/16/47/96/621164796.db2.gz GCSXEQKDRVOOAR-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C#N)c1 ZINC000902752072 621164799 /nfs/dbraw/zinc/16/47/99/621164799.db2.gz GCSXEQKDRVOOAR-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911821382 622555886 /nfs/dbraw/zinc/55/58/86/622555886.db2.gz IMOORXUBCHVBMS-JYJNAYRXSA-N 1 3 297.487 2.650 20 30 CFEDHO c1nncn1N=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834911589 625920009 /nfs/dbraw/zinc/92/00/09/625920009.db2.gz DBUFKBGFRCJKQW-DOTOQJQBSA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1N=C1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834911589 625920011 /nfs/dbraw/zinc/92/00/11/625920011.db2.gz DBUFKBGFRCJKQW-DOTOQJQBSA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1[NH+]=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834911589 625920013 /nfs/dbraw/zinc/92/00/13/625920013.db2.gz DBUFKBGFRCJKQW-DOTOQJQBSA-N 1 3 295.390 2.557 20 30 CFEDHO C#C[C@@H](C)[N@@H+](C)Cc1ccc(CN(C)[C@@H](C)C#C)cc1 ZINC000769961497 625933585 /nfs/dbraw/zinc/93/35/85/625933585.db2.gz LCWNWWGLVONSEU-IYBDPMFKSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)[N@H+](C)Cc1ccc(CN(C)[C@@H](C)C#C)cc1 ZINC000769961497 625933591 /nfs/dbraw/zinc/93/35/91/625933591.db2.gz LCWNWWGLVONSEU-IYBDPMFKSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccc(C[N@H+](C)[C@@H](C)C#C)cc1 ZINC000769961497 625933593 /nfs/dbraw/zinc/93/35/93/625933593.db2.gz LCWNWWGLVONSEU-IYBDPMFKSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccc(C[N@@H+](C)[C@@H](C)C#C)cc1 ZINC000769961497 625933596 /nfs/dbraw/zinc/93/35/96/625933596.db2.gz LCWNWWGLVONSEU-IYBDPMFKSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000775183988 627999152 /nfs/dbraw/zinc/99/91/52/627999152.db2.gz QXIQUQWNRZTEOB-QGZVFWFLSA-N 1 3 299.462 2.672 20 30 CFEDHO C#Cc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000809603066 631244078 /nfs/dbraw/zinc/24/40/78/631244078.db2.gz ILKVMRBWQXPTTC-UHFFFAOYSA-N 1 3 256.393 2.634 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000815652194 632305229 /nfs/dbraw/zinc/30/52/29/632305229.db2.gz TXWJFYCZFQREQC-QGZVFWFLSA-N 1 3 286.419 2.753 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000815652194 632305232 /nfs/dbraw/zinc/30/52/32/632305232.db2.gz TXWJFYCZFQREQC-QGZVFWFLSA-N 1 3 286.419 2.753 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000817919690 632734473 /nfs/dbraw/zinc/73/44/73/632734473.db2.gz UDNGCGNBDSTVOU-KCQAQPDRSA-N 1 3 275.396 2.583 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000817919992 632734566 /nfs/dbraw/zinc/73/45/66/632734566.db2.gz YCCMBUXORGKEFV-ZMSDIMECSA-N 1 3 287.407 2.585 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000854230245 635266240 /nfs/dbraw/zinc/26/62/40/635266240.db2.gz KPCGHCQOQVPIQB-RHSMWYFYSA-N 1 3 274.408 2.723 20 30 CFEDHO C=CCN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597362 635834760 /nfs/dbraw/zinc/83/47/60/635834760.db2.gz HYDBELXBIBAQQH-KRWDZBQOSA-N 1 3 289.423 2.561 20 30 CFEDHO C=CCN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597362 635834762 /nfs/dbraw/zinc/83/47/62/635834762.db2.gz HYDBELXBIBAQQH-KRWDZBQOSA-N 1 3 289.423 2.561 20 30 CFEDHO COc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1C#N ZINC000858153633 636141658 /nfs/dbraw/zinc/14/16/58/636141658.db2.gz PZOZQIZQUWXLSM-OAHLLOKOSA-N 1 3 287.407 2.529 20 30 CFEDHO C=CC[NH+](CC=C)[C@H](CNc1ccnc(CO)c1)C(C)C ZINC000858340925 636198950 /nfs/dbraw/zinc/19/89/50/636198950.db2.gz SEIVQEMPGVIAJV-QGZVFWFLSA-N 1 3 289.423 2.684 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000876949083 643076540 /nfs/dbraw/zinc/07/65/40/643076540.db2.gz RQKKTYYTTQWPSN-ZDUSSCGKSA-N 1 3 251.418 2.779 20 30 CFEDHO C#CCCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878157357 643766776 /nfs/dbraw/zinc/76/67/76/643766776.db2.gz ZNRAISMXCMOYPH-KRWDZBQOSA-N 1 3 262.441 2.844 20 30 CFEDHO C#CCCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157357 643766778 /nfs/dbraw/zinc/76/67/78/643766778.db2.gz ZNRAISMXCMOYPH-KRWDZBQOSA-N 1 3 262.441 2.844 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN1CCCC1)[C@H]1CCCO1 ZINC000883174221 645641089 /nfs/dbraw/zinc/64/10/89/645641089.db2.gz FLWWZUIYFWCHDA-YESZJQIVSA-N 1 3 280.456 2.822 20 30 CFEDHO CC1([NH+]2CCCC2)CCC(NCc2ccc(C#N)cn2)CC1 ZINC000886596321 647059465 /nfs/dbraw/zinc/05/94/65/647059465.db2.gz BSZWVFDKUOZDNG-UHFFFAOYSA-N 1 3 298.434 2.840 20 30 CFEDHO CC[C@H](CN[C@@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924640916 648016280 /nfs/dbraw/zinc/01/62/80/648016280.db2.gz ZXGVVGXCYCVXRY-UONOGXRCSA-N 1 3 251.418 2.779 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NC1CC[NH+](CC2CC2)CC1 ZINC000924713924 648033255 /nfs/dbraw/zinc/03/32/55/648033255.db2.gz UKVZQRXWFXWPSV-ZDUSSCGKSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@H](C)CC(C)(C)C#N)C1 ZINC000925524585 648199563 /nfs/dbraw/zinc/19/95/63/648199563.db2.gz VXFMHDOHGAFBSX-BFHYXJOUSA-N 1 3 251.418 2.633 20 30 CFEDHO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@H](C)CC(C)(C)C#N)C1 ZINC000925524585 648199565 /nfs/dbraw/zinc/19/95/65/648199565.db2.gz VXFMHDOHGAFBSX-BFHYXJOUSA-N 1 3 251.418 2.633 20 30 CFEDHO C=CCSCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925591602 648230245 /nfs/dbraw/zinc/23/02/45/648230245.db2.gz RCDYNIOWZREOHK-LSDHHAIUSA-N 1 3 268.470 2.664 20 30 CFEDHO CCN(C)C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929789447 649122878 /nfs/dbraw/zinc/12/28/78/649122878.db2.gz FOQAJDZDFXSDMP-UYSNPLJNSA-N 1 3 263.429 2.590 20 30 CFEDHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929789447 649122880 /nfs/dbraw/zinc/12/28/80/649122880.db2.gz FOQAJDZDFXSDMP-UYSNPLJNSA-N 1 3 263.429 2.590 20 30 CFEDHO C=CCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001209204390 770013047 /nfs/dbraw/zinc/01/30/47/770013047.db2.gz DCAWAKDYUMYDSM-KRWDZBQOSA-N 1 3 280.456 2.918 20 30 CFEDHO CCC[NH+]1CCC(N[C@H](C)CC(C)(C)C#N)CC1 ZINC000695789973 776011049 /nfs/dbraw/zinc/01/10/49/776011049.db2.gz XWLZRQMOCWJCMB-CYBMUJFWSA-N 1 3 251.418 2.779 20 30 CFEDHO [NH3+]CCC1CN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001235918716 778608964 /nfs/dbraw/zinc/60/89/64/778608964.db2.gz JIJDFIXRHCYAQB-UHFFFAOYSA-N 1 3 290.410 2.867 20 30 CFEDHO C=CCCCCCCCC[N@@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236412462 778807483 /nfs/dbraw/zinc/80/74/83/778807483.db2.gz VBHYWZLBTZYNJQ-HOTGVXAUSA-N 1 3 296.455 2.725 20 30 CFEDHO C=CCCCCCCCC[N@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236412462 778807487 /nfs/dbraw/zinc/80/74/87/778807487.db2.gz VBHYWZLBTZYNJQ-HOTGVXAUSA-N 1 3 296.455 2.725 20 30 CFEDHO CCCN(Cc1ccc(C#N)c(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844928 778963506 /nfs/dbraw/zinc/96/35/06/778963506.db2.gz XNHJRYBUOJKORY-INIZCTEOSA-N 1 3 285.435 2.942 20 30 CFEDHO C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1CCN ZINC000595896633 349764439 /nfs/dbraw/zinc/76/44/39/349764439.db2.gz SLOHWTNVAUNONO-WMLDXEAASA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1CCN ZINC000595896633 349764441 /nfs/dbraw/zinc/76/44/41/349764441.db2.gz SLOHWTNVAUNONO-WMLDXEAASA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@H]1CCCN(CCc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000595896633 349764444 /nfs/dbraw/zinc/76/44/44/349764444.db2.gz SLOHWTNVAUNONO-WMLDXEAASA-N 1 3 271.408 2.550 20 30 CFEDHO N#CCCCCC([NH3+])C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000596002114 349775645 /nfs/dbraw/zinc/77/56/45/349775645.db2.gz RPTILTZHMUIHCY-BFHRDPOASA-N 1 3 297.402 2.545 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N)CCCC1 ZINC000596649335 349967998 /nfs/dbraw/zinc/96/79/98/349967998.db2.gz YVYBZBYBONULPK-INIZCTEOSA-N 1 3 269.392 2.797 20 30 CFEDHO C=CCCSCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000596649977 349968494 /nfs/dbraw/zinc/96/84/94/349968494.db2.gz HVAPLRPOKCJFDG-GFCCVEGCSA-N 1 3 279.453 2.809 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000165498680 348039725 /nfs/dbraw/zinc/03/97/25/348039725.db2.gz PTZQTMFJTMNWKS-MSOLQXFVSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000165498680 348039727 /nfs/dbraw/zinc/03/97/27/348039727.db2.gz PTZQTMFJTMNWKS-MSOLQXFVSA-N 1 3 283.419 2.783 20 30 CFEDHO C[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000404381758 348591547 /nfs/dbraw/zinc/59/15/47/348591547.db2.gz MRBYJACNOAXUPK-BBRMVZONSA-N 1 3 257.381 2.508 20 30 CFEDHO N#CCCOCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000590153445 348879328 /nfs/dbraw/zinc/87/93/28/348879328.db2.gz UGJROGNYZBCRSC-UHFFFAOYSA-N 1 3 293.455 2.505 20 30 CFEDHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577523 349031012 /nfs/dbraw/zinc/03/10/12/349031012.db2.gz YJYQQFLQASYEJR-JKSUJKDBSA-N 1 3 257.381 2.509 20 30 CFEDHO C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000593324471 349247532 /nfs/dbraw/zinc/24/75/32/349247532.db2.gz WOVDRIPJSGKUKG-BBRMVZONSA-N 1 3 257.381 2.578 20 30 CFEDHO Cc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1C#N ZINC000600709398 350598902 /nfs/dbraw/zinc/59/89/02/350598902.db2.gz JAAQELNSYRARPP-GOSISDBHSA-N 1 3 283.419 2.831 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000602019514 350832963 /nfs/dbraw/zinc/83/29/63/350832963.db2.gz FUMQIKBTEPXJDZ-BRWVUGGUSA-N 1 3 271.408 2.618 20 30 CFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000602019514 350832965 /nfs/dbraw/zinc/83/29/65/350832965.db2.gz FUMQIKBTEPXJDZ-BRWVUGGUSA-N 1 3 271.408 2.618 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000602715925 350996967 /nfs/dbraw/zinc/99/69/67/350996967.db2.gz QARKACLAYAJDIB-HOCLYGCPSA-N 1 3 263.429 2.638 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3cccc(C#N)c3F)C2)CC1 ZINC000602877834 351055414 /nfs/dbraw/zinc/05/54/14/351055414.db2.gz SIQMBWXMAVQIIG-UHFFFAOYSA-N 1 3 287.382 2.615 20 30 CFEDHO CN1CC=C(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611439416 351690237 /nfs/dbraw/zinc/69/02/37/351690237.db2.gz KCIYRXOZOYSBHT-GOSISDBHSA-N 1 3 281.403 2.787 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152362045 188012951 /nfs/dbraw/zinc/01/29/51/188012951.db2.gz OTCROJUSXPGKOC-GDBMZVCRSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152362045 188012953 /nfs/dbraw/zinc/01/29/53/188012953.db2.gz OTCROJUSXPGKOC-GDBMZVCRSA-N 1 3 271.408 2.893 20 30 CFEDHO C=CC[C@@H]1CC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000629551426 354844913 /nfs/dbraw/zinc/84/49/13/354844913.db2.gz VOSUFMGULVUGKS-CQSZACIVSA-N 1 3 256.393 2.730 20 30 CFEDHO C=CC[C@@H]1CC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000629551426 354844916 /nfs/dbraw/zinc/84/49/16/354844916.db2.gz VOSUFMGULVUGKS-CQSZACIVSA-N 1 3 256.393 2.730 20 30 CFEDHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423167315 238248816 /nfs/dbraw/zinc/24/88/16/238248816.db2.gz SAYAGSKFBGSPIM-UGSOOPFHSA-N 1 3 297.377 2.745 20 30 CFEDHO CCCCN1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000037150120 372655564 /nfs/dbraw/zinc/65/55/64/372655564.db2.gz NIOJGUCEWURVBS-UHFFFAOYSA-N 1 3 271.408 2.912 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093770783 375310117 /nfs/dbraw/zinc/31/01/17/375310117.db2.gz ABALDNCICSUEGN-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093770783 375310122 /nfs/dbraw/zinc/31/01/22/375310122.db2.gz ABALDNCICSUEGN-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[N@H+](C)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093770783 375310128 /nfs/dbraw/zinc/31/01/28/375310128.db2.gz ABALDNCICSUEGN-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093770783 375310132 /nfs/dbraw/zinc/31/01/32/375310132.db2.gz ABALDNCICSUEGN-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CC1CC[NH+](CCCCNCc2ccc(C#N)o2)CC1 ZINC000174272926 379855399 /nfs/dbraw/zinc/85/53/99/379855399.db2.gz PBMWLLOIAPIROG-UHFFFAOYSA-N 1 3 275.396 2.753 20 30 CFEDHO N#Cc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298341815 381585090 /nfs/dbraw/zinc/58/50/90/381585090.db2.gz JIRBGMDOIXBOBM-UHFFFAOYSA-N 1 3 292.386 2.712 20 30 CFEDHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185881082 381767867 /nfs/dbraw/zinc/76/78/67/381767867.db2.gz INWYNOCAKASQAZ-PBHICJAKSA-N 1 3 271.408 2.920 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185881082 381767876 /nfs/dbraw/zinc/76/78/76/381767876.db2.gz INWYNOCAKASQAZ-PBHICJAKSA-N 1 3 271.408 2.920 20 30 CFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355790724 381804478 /nfs/dbraw/zinc/80/44/78/381804478.db2.gz YAXSMNXUVPFKID-LJQANCHMSA-N 1 3 282.431 2.998 20 30 CFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355790724 381804484 /nfs/dbraw/zinc/80/44/84/381804484.db2.gz YAXSMNXUVPFKID-LJQANCHMSA-N 1 3 282.431 2.998 20 30 CFEDHO C=CCOCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000361742094 381859000 /nfs/dbraw/zinc/85/90/00/381859000.db2.gz CRBFSMPXWJIPGN-UHFFFAOYSA-N 1 3 280.456 2.823 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000345811613 382314639 /nfs/dbraw/zinc/31/46/39/382314639.db2.gz HSAIDIUOUJAHSU-CABCVRRESA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000345811613 382314643 /nfs/dbraw/zinc/31/46/43/382314643.db2.gz HSAIDIUOUJAHSU-CABCVRRESA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000345820609 382315953 /nfs/dbraw/zinc/31/59/53/382315953.db2.gz USYKGVXXTWKLAG-LSDHHAIUSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000345820609 382315961 /nfs/dbraw/zinc/31/59/61/382315961.db2.gz USYKGVXXTWKLAG-LSDHHAIUSA-N 1 3 299.418 2.694 20 30 CFEDHO C=CCCCN(C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420294937 382345150 /nfs/dbraw/zinc/34/51/50/382345150.db2.gz BOAYBRQVXCTISW-OAHLLOKOSA-N 1 3 262.397 2.636 20 30 CFEDHO CC1CCN(C(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC000303358401 382356887 /nfs/dbraw/zinc/35/68/87/382356887.db2.gz AJVHLBUXRGQAPR-RDJZCZTQSA-N 1 3 294.487 2.544 20 30 CFEDHO C=CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420320575 382366325 /nfs/dbraw/zinc/36/63/25/382366325.db2.gz QRCYMTTZNQAFGR-HNNXBMFYSA-N 1 3 274.408 2.683 20 30 CFEDHO C=CCN(CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420328557 382373215 /nfs/dbraw/zinc/37/32/15/382373215.db2.gz ZYFFVESAJZJSGO-CYBMUJFWSA-N 1 3 250.411 2.736 20 30 CFEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442774064 382954147 /nfs/dbraw/zinc/95/41/47/382954147.db2.gz YNYOOEMMPNPDII-KFWWJZLASA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442774064 382954152 /nfs/dbraw/zinc/95/41/52/382954152.db2.gz YNYOOEMMPNPDII-KFWWJZLASA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270549 383054055 /nfs/dbraw/zinc/05/40/55/383054055.db2.gz GQVDZMJVMUYSGZ-RCBQFDQVSA-N 1 3 257.381 2.726 20 30 CFEDHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423276024 383055559 /nfs/dbraw/zinc/05/55/59/383055559.db2.gz NXWYOGWGAJIGNJ-DLBZAZTESA-N 1 3 271.408 2.899 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174715 383162328 /nfs/dbraw/zinc/16/23/28/383162328.db2.gz QDQSGINDLRTPIP-YQYZPQCESA-N 1 3 297.402 2.524 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248531794 383254757 /nfs/dbraw/zinc/25/47/57/383254757.db2.gz YDYCUYDWYOIPJF-OIISXLGYSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248531794 383254761 /nfs/dbraw/zinc/25/47/61/383254761.db2.gz YDYCUYDWYOIPJF-OIISXLGYSA-N 1 3 280.456 2.556 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248911417 383308110 /nfs/dbraw/zinc/30/81/10/383308110.db2.gz VKOJDEXGOMKSAE-XHSDSOJGSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248911417 383308113 /nfs/dbraw/zinc/30/81/13/383308113.db2.gz VKOJDEXGOMKSAE-XHSDSOJGSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248911417 383308116 /nfs/dbraw/zinc/30/81/16/383308116.db2.gz VKOJDEXGOMKSAE-XHSDSOJGSA-N 1 3 263.429 2.779 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449520378 383353447 /nfs/dbraw/zinc/35/34/47/383353447.db2.gz PEEMZMMIMIKOQQ-HPBDAGMYSA-N 1 3 292.467 2.963 20 30 CFEDHO CC(C)N1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000569662306 383523571 /nfs/dbraw/zinc/52/35/71/383523571.db2.gz MIAACEOCZGXAAC-QQFBHYJXSA-N 1 3 263.429 2.779 20 30 CFEDHO C=CCOc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430956698 383616745 /nfs/dbraw/zinc/61/67/45/383616745.db2.gz PUASWWVNTOSLEC-UHFFFAOYSA-N 1 3 286.419 2.827 20 30 CFEDHO C=CCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000683782183 542723607 /nfs/dbraw/zinc/72/36/07/542723607.db2.gz MWEGTQYWZDIXFK-UHFFFAOYSA-N 1 3 259.397 2.950 20 30 CFEDHO CC(C)(N)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000335598746 393683215 /nfs/dbraw/zinc/68/32/15/393683215.db2.gz MCRGKJWYIBPDPW-OAHLLOKOSA-N 1 3 257.381 2.653 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085126 393816732 /nfs/dbraw/zinc/81/67/32/393816732.db2.gz PCQVNNMOWNMTRX-ZJIFWQFVSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339085126 393816737 /nfs/dbraw/zinc/81/67/37/393816737.db2.gz PCQVNNMOWNMTRX-ZJIFWQFVSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000339085126 393816740 /nfs/dbraw/zinc/81/67/40/393816740.db2.gz PCQVNNMOWNMTRX-ZJIFWQFVSA-N 1 3 275.440 2.921 20 30 CFEDHO C#CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000366793414 394248019 /nfs/dbraw/zinc/24/80/19/394248019.db2.gz YDDAOLLZCRSOFI-WZGPROSRSA-N 1 3 282.431 2.898 20 30 CFEDHO N#Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000421350479 394194777 /nfs/dbraw/zinc/19/47/77/394194777.db2.gz LTMRCNSSPYOMON-UHFFFAOYSA-N 1 3 298.415 2.773 20 30 CFEDHO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000648450311 395148416 /nfs/dbraw/zinc/14/84/16/395148416.db2.gz AFUKVGWTSLIGSU-SJORKVTESA-N 1 3 293.499 2.879 20 30 CFEDHO CC[NH+](CC)CCOCCN[C@@H](C)c1cccc(C#N)c1 ZINC000349721094 163008379 /nfs/dbraw/zinc/00/83/79/163008379.db2.gz LXDDEBUXWKRFMC-HNNXBMFYSA-N 1 3 289.423 2.567 20 30 CFEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCCN2CCN(CC)CC2)C1 ZINC000651676921 413561018 /nfs/dbraw/zinc/56/10/18/413561018.db2.gz RRMUGVZIUYPOGY-ROUUACIJSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000657837043 413990389 /nfs/dbraw/zinc/99/03/89/413990389.db2.gz XNZNRAYKQUVDNL-ZWKOTPCHSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658002891 414099720 /nfs/dbraw/zinc/09/97/20/414099720.db2.gz PJLRQILFTKRASN-DLBZAZTESA-N 1 3 293.499 2.737 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000222075852 262309325 /nfs/dbraw/zinc/30/93/25/262309325.db2.gz OWTZIRJOICMHQQ-WMLDXEAASA-N 1 3 274.408 2.681 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000222075852 262309327 /nfs/dbraw/zinc/30/93/27/262309327.db2.gz OWTZIRJOICMHQQ-WMLDXEAASA-N 1 3 274.408 2.681 20 30 CFEDHO C=CCOc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763549 263040449 /nfs/dbraw/zinc/04/04/49/263040449.db2.gz CCCQNAHDPYSSTB-IYBDPMFKSA-N 1 3 286.419 2.683 20 30 CFEDHO CC#CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000368139810 267147759 /nfs/dbraw/zinc/14/77/59/267147759.db2.gz VRTUKKHUHDWBEB-UHFFFAOYSA-N 1 3 271.408 2.643 20 30 CFEDHO CC#CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000368139810 267147761 /nfs/dbraw/zinc/14/77/61/267147761.db2.gz VRTUKKHUHDWBEB-UHFFFAOYSA-N 1 3 271.408 2.643 20 30 CFEDHO N#C[C@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000335020271 303167002 /nfs/dbraw/zinc/16/70/02/303167002.db2.gz HFMLFHKSGMDLOY-RLIYEPBISA-N 1 3 287.451 2.812 20 30 CFEDHO CCCCNC(=[NH2+])NCc1ccccc1CN(CC)CC ZINC000264147314 328157546 /nfs/dbraw/zinc/15/75/46/328157546.db2.gz YFVLLXDCVOQYOG-UHFFFAOYSA-N 1 3 290.455 2.733 20 30 CFEDHO C#CCC[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000378321684 329046104 /nfs/dbraw/zinc/04/61/04/329046104.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 3 270.420 2.996 20 30 CFEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000378321684 329046105 /nfs/dbraw/zinc/04/61/05/329046105.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 3 270.420 2.996 20 30 CFEDHO C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1CC[NH2+]CC1 ZINC000178968230 329203165 /nfs/dbraw/zinc/20/31/65/329203165.db2.gz VPFRDIYFOBJEBU-UHFFFAOYSA-N 1 3 289.379 2.582 20 30 CFEDHO CCCC[NH+]1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185799390 329332033 /nfs/dbraw/zinc/33/20/33/329332033.db2.gz PJALTOSXLVZLFF-ZBFHGGJFSA-N 1 3 263.429 2.923 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423097912 330169877 /nfs/dbraw/zinc/16/98/77/330169877.db2.gz BRCJLYRWCTVJBN-RHSMWYFYSA-N 1 3 274.408 2.729 20 30 CFEDHO C=C(CC)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167542 330174227 /nfs/dbraw/zinc/17/42/27/330174227.db2.gz XBKVJTUHRAZOON-RDJZCZTQSA-N 1 3 272.392 2.798 20 30 CFEDHO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000423229240 330180674 /nfs/dbraw/zinc/18/06/74/330180674.db2.gz ALAOHCZDYBSPOO-ADKAHSJRSA-N 1 3 283.419 2.732 20 30 CFEDHO C#C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000491231266 332170979 /nfs/dbraw/zinc/17/09/79/332170979.db2.gz RPVOKZZUTWFYKC-AWEZNQCLSA-N 1 3 250.430 2.887 20 30 CFEDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000335990759 335099271 /nfs/dbraw/zinc/09/92/71/335099271.db2.gz SXKJGKJJPBLELG-ROUUACIJSA-N 1 3 283.419 2.669 20 30 CFEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000335990759 335099272 /nfs/dbraw/zinc/09/92/72/335099272.db2.gz SXKJGKJJPBLELG-ROUUACIJSA-N 1 3 283.419 2.669 20 30 CFEDHO CC#CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309741911 333048473 /nfs/dbraw/zinc/04/84/73/333048473.db2.gz WEDXAFRDLVDTDS-CEXWTWQISA-N 1 3 282.431 2.900 20 30 CFEDHO CC1(C)CC(N[C@@H]2CCC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613434 333236847 /nfs/dbraw/zinc/23/68/47/333236847.db2.gz WFEFFEOHUSXPLI-QWHCGFSZSA-N 1 3 263.429 2.968 20 30 CFEDHO CC1(C)CC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC(C)(C)N1 ZINC000192613434 333236849 /nfs/dbraw/zinc/23/68/49/333236849.db2.gz WFEFFEOHUSXPLI-QWHCGFSZSA-N 1 3 263.429 2.968 20 30 CFEDHO C=CCOc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000345148181 335301465 /nfs/dbraw/zinc/30/14/65/335301465.db2.gz VSVUFQQKTXUQKU-UHFFFAOYSA-N 1 3 272.392 2.603 20 30 CFEDHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000925778229 619100133 /nfs/dbraw/zinc/10/01/33/619100133.db2.gz SBPVKAMIPFYZHT-GJZGRUSLSA-N 1 3 293.361 2.844 20 30 CFEDHO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841878 619175387 /nfs/dbraw/zinc/17/53/87/619175387.db2.gz UIZBQVWZCZWWDH-HZPDHXFCSA-N 1 3 271.408 2.862 20 30 CFEDHO CC1([NH+]2CCCC2)CCC(NCC2(C#N)CC2)CC1 ZINC000903109409 621256500 /nfs/dbraw/zinc/25/65/00/621256500.db2.gz PAHFEXVLBAXLIK-UHFFFAOYSA-N 1 3 261.413 2.677 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903805490 621445444 /nfs/dbraw/zinc/44/54/44/621445444.db2.gz PARXJVASIUMZRG-AEFFLSMTSA-N 1 3 283.419 2.878 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903805490 621445445 /nfs/dbraw/zinc/44/54/45/621445445.db2.gz PARXJVASIUMZRG-AEFFLSMTSA-N 1 3 283.419 2.878 20 30 CFEDHO N#CCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709985 621825693 /nfs/dbraw/zinc/82/56/93/621825693.db2.gz SRYURSZKUSOBHI-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709985 621825697 /nfs/dbraw/zinc/82/56/97/621825697.db2.gz SRYURSZKUSOBHI-FGTMMUONSA-N 1 3 283.419 2.790 20 30 CFEDHO c1nncn1N=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834911591 625920187 /nfs/dbraw/zinc/92/01/87/625920187.db2.gz DBUFKBGFRCJKQW-RDJZCZTQSA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1N=C1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834911591 625920189 /nfs/dbraw/zinc/92/01/89/625920189.db2.gz DBUFKBGFRCJKQW-RDJZCZTQSA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1[NH+]=C1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834911591 625920190 /nfs/dbraw/zinc/92/01/90/625920190.db2.gz DBUFKBGFRCJKQW-RDJZCZTQSA-N 1 3 295.390 2.557 20 30 CFEDHO N#CC1CCC(C[N@@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC000923530434 626478834 /nfs/dbraw/zinc/47/88/34/626478834.db2.gz ITODCALQVSAVNC-GPANFISMSA-N 1 3 261.413 2.534 20 30 CFEDHO N#CC1CCC(C[N@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC000923530434 626478835 /nfs/dbraw/zinc/47/88/35/626478835.db2.gz ITODCALQVSAVNC-GPANFISMSA-N 1 3 261.413 2.534 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1cc(C[N@H+](C)[C@H](C)C#C)cc(OC)c1 ZINC000814633619 632100283 /nfs/dbraw/zinc/10/02/83/632100283.db2.gz HLWOIIBKFQPAFA-HZPDHXFCSA-N 1 3 298.430 2.602 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1cc(C[N@@H+](C)[C@H](C)C#C)cc(OC)c1 ZINC000814633619 632100285 /nfs/dbraw/zinc/10/02/85/632100285.db2.gz HLWOIIBKFQPAFA-HZPDHXFCSA-N 1 3 298.430 2.602 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817919990 632734716 /nfs/dbraw/zinc/73/47/16/632734716.db2.gz YCCMBUXORGKEFV-INMHGKMJSA-N 1 3 287.407 2.585 20 30 CFEDHO C=CCCCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849076803 633483928 /nfs/dbraw/zinc/48/39/28/633483928.db2.gz XKKLDJFCXJBWCK-OAHLLOKOSA-N 1 3 280.460 2.721 20 30 CFEDHO CCN(CC)c1ccc(/C=[NH+]/CC[C@@H](C)[NH+](C)C)c([O-])c1 ZINC000849170483 633578425 /nfs/dbraw/zinc/57/84/25/633578425.db2.gz PXZZHYSPQFVDNJ-QFGUUYLXSA-N 1 3 291.439 2.998 20 30 CFEDHO CC(C)[NH+]1CCC(CCNCc2ccc(C#N)o2)CC1 ZINC000865716593 638531248 /nfs/dbraw/zinc/53/12/48/638531248.db2.gz ATZRRQYHSGLUGY-UHFFFAOYSA-N 1 3 275.396 2.751 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@H]1CCCN(CC)C1 ZINC000876989251 643095034 /nfs/dbraw/zinc/09/50/34/643095034.db2.gz WMVNNMVRFBTHTC-MRXNPFEDSA-N 1 3 250.430 2.892 20 30 CFEDHO C#CCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878134044 643754582 /nfs/dbraw/zinc/75/45/82/643754582.db2.gz OLFOENQDUOVPHR-QGZVFWFLSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000878134044 643754584 /nfs/dbraw/zinc/75/45/84/643754584.db2.gz OLFOENQDUOVPHR-QGZVFWFLSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000878134044 643754589 /nfs/dbraw/zinc/75/45/89/643754589.db2.gz OLFOENQDUOVPHR-QGZVFWFLSA-N 1 3 262.441 2.988 20 30 CFEDHO C[N@H+](CCCN1CCCCC1)CCc1cccc(C#N)c1 ZINC000879433059 644270333 /nfs/dbraw/zinc/27/03/33/644270333.db2.gz OIJCAHXGUSKDGS-UHFFFAOYSA-N 1 3 285.435 2.909 20 30 CFEDHO C[N@@H+](CCCN1CCCCC1)CCc1cccc(C#N)c1 ZINC000879433059 644270337 /nfs/dbraw/zinc/27/03/37/644270337.db2.gz OIJCAHXGUSKDGS-UHFFFAOYSA-N 1 3 285.435 2.909 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000303889467 651006532 /nfs/dbraw/zinc/00/65/32/651006532.db2.gz LXCMBLAQEURFOF-HUUCEWRRSA-N 1 3 288.439 2.985 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000303894991 651007054 /nfs/dbraw/zinc/00/70/54/651007054.db2.gz PHGWPIQGPHUWSH-GJZGRUSLSA-N 1 3 282.476 2.734 20 30 CFEDHO C#Cc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000883132638 645619346 /nfs/dbraw/zinc/61/93/46/645619346.db2.gz YWPYNEUZCAHDRP-MRXNPFEDSA-N 1 3 256.393 2.630 20 30 CFEDHO N#CCCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886587896 647055711 /nfs/dbraw/zinc/05/57/11/647055711.db2.gz HZJVKMVNXDRJLD-BZSNNMDCSA-N 1 3 283.419 2.933 20 30 CFEDHO N#CCCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886587896 647055715 /nfs/dbraw/zinc/05/57/15/647055715.db2.gz HZJVKMVNXDRJLD-BZSNNMDCSA-N 1 3 283.419 2.933 20 30 CFEDHO N#CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886587896 647055719 /nfs/dbraw/zinc/05/57/19/647055719.db2.gz HZJVKMVNXDRJLD-BZSNNMDCSA-N 1 3 283.419 2.933 20 30 CFEDHO CC[C@@H](CN[C@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924640915 648016046 /nfs/dbraw/zinc/01/60/46/648016046.db2.gz ZXGVVGXCYCVXRY-KGLIPLIRSA-N 1 3 251.418 2.779 20 30 CFEDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000926602455 648549360 /nfs/dbraw/zinc/54/93/60/648549360.db2.gz LJUJNBKBLRASHK-LUTGFWOYSA-N 1 3 295.430 2.865 20 30 CFEDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000926602455 648549361 /nfs/dbraw/zinc/54/93/61/648549361.db2.gz LJUJNBKBLRASHK-LUTGFWOYSA-N 1 3 295.430 2.865 20 30 CFEDHO C[N@@H+]1CC[C@]2(CCN(CCCCC3(C#N)CCC3)C2)C1 ZINC000930554943 649272361 /nfs/dbraw/zinc/27/23/61/649272361.db2.gz KIDFDBLVKZPOCB-KRWDZBQOSA-N 1 3 275.440 2.878 20 30 CFEDHO C[N@H+]1CC[C@]2(CCN(CCCCC3(C#N)CCC3)C2)C1 ZINC000930554943 649272363 /nfs/dbraw/zinc/27/23/63/649272363.db2.gz KIDFDBLVKZPOCB-KRWDZBQOSA-N 1 3 275.440 2.878 20 30 CFEDHO C=CCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286509 649401539 /nfs/dbraw/zinc/40/15/39/649401539.db2.gz RYLUIEROWHUMIN-UHFFFAOYSA-N 1 3 266.429 2.529 20 30 CFEDHO C=CCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286509 649401540 /nfs/dbraw/zinc/40/15/40/649401540.db2.gz RYLUIEROWHUMIN-UHFFFAOYSA-N 1 3 266.429 2.529 20 30 CFEDHO CC(C)[NH+]1CCC(CN(C)Cc2cccc(C#N)n2)CC1 ZINC001232924841 777721186 /nfs/dbraw/zinc/72/11/86/777721186.db2.gz WMOPBHFONLEHKW-UHFFFAOYSA-N 1 3 286.423 2.505 20 30 CFEDHO C=CCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235403527 778477761 /nfs/dbraw/zinc/47/77/61/778477761.db2.gz KZIFEKSQZNRQOL-CABCVRRESA-N 1 3 254.393 2.756 20 30 CFEDHO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235403527 778477763 /nfs/dbraw/zinc/47/77/63/778477763.db2.gz KZIFEKSQZNRQOL-CABCVRRESA-N 1 3 254.393 2.756 20 30 CFEDHO C#CCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274847 779063485 /nfs/dbraw/zinc/06/34/85/779063485.db2.gz FTNPGSSUJKGIIF-UHFFFAOYSA-N 1 3 268.404 2.537 20 30 CFEDHO N#C[C@H]1CC[C@@H]([NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC000595509099 349645987 /nfs/dbraw/zinc/64/59/87/349645987.db2.gz PJIQNUFKSSYOLV-FUHWJXTLSA-N 1 3 283.419 2.933 20 30 CFEDHO C[C@@H](NCC1CC[NH2+]CC1)c1ccc(C#N)cc1Cl ZINC000562956084 290085102 /nfs/dbraw/zinc/08/51/02/290085102.db2.gz CTHYMDXYTJTNSD-LLVKDONJSA-N 1 3 277.799 2.862 20 30 CFEDHO C[NH+](C)CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000056523827 346611104 /nfs/dbraw/zinc/61/11/04/346611104.db2.gz SEUDBOPDBMXAGF-UHFFFAOYSA-N 1 3 271.408 2.722 20 30 CFEDHO C[C@H](CNC(=[NH2+])Nc1ccccc1)N1CCC(C)CC1 ZINC000066243790 346751463 /nfs/dbraw/zinc/75/14/63/346751463.db2.gz GSNMZEVXWBMPLC-CQSZACIVSA-N 1 3 274.412 2.534 20 30 CFEDHO CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000589344082 348828395 /nfs/dbraw/zinc/82/83/95/348828395.db2.gz UNEJEJWTKBTVFU-KFWWJZLASA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000589344082 348828397 /nfs/dbraw/zinc/82/83/97/348828397.db2.gz UNEJEJWTKBTVFU-KFWWJZLASA-N 1 3 251.418 2.779 20 30 CFEDHO C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000593324479 349247390 /nfs/dbraw/zinc/24/73/90/349247390.db2.gz WOVDRIPJSGKUKG-CJNGLKHVSA-N 1 3 257.381 2.578 20 30 CFEDHO C=CCCSCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598981019 350353411 /nfs/dbraw/zinc/35/34/11/350353411.db2.gz KIUGZACGZGVZPF-ZDUSSCGKSA-N 1 3 256.459 2.758 20 30 CFEDHO C=CCCSCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598981019 350353415 /nfs/dbraw/zinc/35/34/15/350353415.db2.gz KIUGZACGZGVZPF-ZDUSSCGKSA-N 1 3 256.459 2.758 20 30 CFEDHO CN1CCCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000598994395 350356229 /nfs/dbraw/zinc/35/62/29/350356229.db2.gz MDISLZRSQZUSKC-FHERZECASA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599070156 350369805 /nfs/dbraw/zinc/36/98/05/350369805.db2.gz LTJNHDJNFVFECB-GDBMZVCRSA-N 1 3 271.408 2.941 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000602019515 350833067 /nfs/dbraw/zinc/83/30/67/350833067.db2.gz FUMQIKBTEPXJDZ-IKGGRYGDSA-N 1 3 271.408 2.618 20 30 CFEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000602019515 350833069 /nfs/dbraw/zinc/83/30/69/350833069.db2.gz FUMQIKBTEPXJDZ-IKGGRYGDSA-N 1 3 271.408 2.618 20 30 CFEDHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000602488663 350903774 /nfs/dbraw/zinc/90/37/74/350903774.db2.gz ZVGQSYWODPSYLT-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000602488663 350903777 /nfs/dbraw/zinc/90/37/77/350903777.db2.gz ZVGQSYWODPSYLT-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602488663 350903782 /nfs/dbraw/zinc/90/37/82/350903782.db2.gz ZVGQSYWODPSYLT-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602488663 350903786 /nfs/dbraw/zinc/90/37/86/350903786.db2.gz ZVGQSYWODPSYLT-HUUCEWRRSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602509795 350909781 /nfs/dbraw/zinc/90/97/81/350909781.db2.gz SWANKRNWTYBQOU-JKSUJKDBSA-N 1 3 293.455 2.549 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602543358 350918408 /nfs/dbraw/zinc/91/84/08/350918408.db2.gz BVSYCOJQSRUIQO-LSDHHAIUSA-N 1 3 251.418 2.636 20 30 CFEDHO CCC[NH+]1CCC(N[C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602588317 350937386 /nfs/dbraw/zinc/93/73/86/350937386.db2.gz VISLMOISTHDIOU-OAHLLOKOSA-N 1 3 293.455 2.549 20 30 CFEDHO CC(C)(C#N)CCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844807 351043096 /nfs/dbraw/zinc/04/30/96/351043096.db2.gz FZRDSQGALVTSAW-UHFFFAOYSA-N 1 3 272.396 2.534 20 30 CFEDHO N#Cc1cccc(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602846017 351044261 /nfs/dbraw/zinc/04/42/61/351044261.db2.gz ONZNVDGWBBODNI-UHFFFAOYSA-N 1 3 292.386 2.666 20 30 CFEDHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392895 351680287 /nfs/dbraw/zinc/68/02/87/351680287.db2.gz UCLQVXWFEKZAHE-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392895 351680290 /nfs/dbraw/zinc/68/02/90/351680290.db2.gz UCLQVXWFEKZAHE-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391175 351680521 /nfs/dbraw/zinc/68/05/21/351680521.db2.gz YOBVIBWIYGUGNM-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391175 351680524 /nfs/dbraw/zinc/68/05/24/351680524.db2.gz YOBVIBWIYGUGNM-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391175 351680529 /nfs/dbraw/zinc/68/05/29/351680529.db2.gz YOBVIBWIYGUGNM-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000271474336 191158999 /nfs/dbraw/zinc/15/89/99/191158999.db2.gz MJWPJEWRDDFNNT-WBVHZDCISA-N 1 3 286.419 2.519 20 30 CFEDHO C=C(C)CN(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000679360970 542179728 /nfs/dbraw/zinc/17/97/28/542179728.db2.gz RBCIRKPWXYJLDK-UHFFFAOYSA-N 1 3 262.397 2.635 20 30 CFEDHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C#N)cc1 ZINC000278698969 194109625 /nfs/dbraw/zinc/10/96/25/194109625.db2.gz KUSLIHWIGYWUSC-KRWDZBQOSA-N 1 3 269.392 2.861 20 30 CFEDHO N#CC1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000334384819 379202137 /nfs/dbraw/zinc/20/21/37/379202137.db2.gz MGBJFBDYWYEQOO-SSHXOBKSSA-N 1 3 261.413 2.533 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000335497802 379403626 /nfs/dbraw/zinc/40/36/26/379403626.db2.gz ZWJNRFFGLNWEFA-JDEYZFBPSA-N 1 3 283.419 2.804 20 30 CFEDHO C[C@@H](NCCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358593593 380955503 /nfs/dbraw/zinc/95/55/03/380955503.db2.gz RRABVTNWZICPLL-GFCCVEGCSA-N 1 3 263.360 2.690 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000345820601 382315871 /nfs/dbraw/zinc/31/58/71/382315871.db2.gz USYKGVXXTWKLAG-CABCVRRESA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000345820601 382315879 /nfs/dbraw/zinc/31/58/79/382315879.db2.gz USYKGVXXTWKLAG-CABCVRRESA-N 1 3 299.418 2.694 20 30 CFEDHO C=C(CC)CN[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000346555178 382411918 /nfs/dbraw/zinc/41/19/18/382411918.db2.gz HAFQJDZFJCMQCX-HOTGVXAUSA-N 1 3 268.445 2.679 20 30 CFEDHO C=C(CC)CN[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000346555178 382411925 /nfs/dbraw/zinc/41/19/25/382411925.db2.gz HAFQJDZFJCMQCX-HOTGVXAUSA-N 1 3 268.445 2.679 20 30 CFEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442774063 382954467 /nfs/dbraw/zinc/95/44/67/382954467.db2.gz YNYOOEMMPNPDII-ILXRZTDVSA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442774063 382954471 /nfs/dbraw/zinc/95/44/71/382954471.db2.gz YNYOOEMMPNPDII-ILXRZTDVSA-N 1 3 263.429 2.779 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CC2 ZINC000579354522 383007088 /nfs/dbraw/zinc/00/70/88/383007088.db2.gz BPTNIRYEYNBENH-GOSISDBHSA-N 1 3 277.371 2.794 20 30 CFEDHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407349 383086733 /nfs/dbraw/zinc/08/67/33/383086733.db2.gz ZYQSOEHVYYLPPK-LEWSCRJBSA-N 1 3 261.344 2.618 20 30 CFEDHO CN1CCC[C@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000247271180 383158462 /nfs/dbraw/zinc/15/84/62/383158462.db2.gz YBOOYAPTXKSVGM-LSDHHAIUSA-N 1 3 263.429 2.732 20 30 CFEDHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000247271180 383158466 /nfs/dbraw/zinc/15/84/66/383158466.db2.gz YBOOYAPTXKSVGM-LSDHHAIUSA-N 1 3 263.429 2.732 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000248531795 383254655 /nfs/dbraw/zinc/25/46/55/383254655.db2.gz YDYCUYDWYOIPJF-UAGQMJEPSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000248531795 383254658 /nfs/dbraw/zinc/25/46/58/383254658.db2.gz YDYCUYDWYOIPJF-UAGQMJEPSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471842828 383379529 /nfs/dbraw/zinc/37/95/29/383379529.db2.gz DKUUOEKKUWWCFN-IAGOWNOFSA-N 1 3 258.409 2.845 20 30 CFEDHO C=CC[C@H](C)[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007118 383462880 /nfs/dbraw/zinc/46/28/80/383462880.db2.gz FBJOBUMUOHFCJN-KBPBESRZSA-N 1 3 274.412 2.504 20 30 CFEDHO C[C@@H]([NH2+]CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272496952 385553016 /nfs/dbraw/zinc/55/30/16/385553016.db2.gz NLSWJUAGVLBELC-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H](NCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496952 385553019 /nfs/dbraw/zinc/55/30/19/385553019.db2.gz NLSWJUAGVLBELC-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H](NCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272496952 385553022 /nfs/dbraw/zinc/55/30/22/385553022.db2.gz NLSWJUAGVLBELC-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCCC#N ZINC000273183468 385673197 /nfs/dbraw/zinc/67/31/97/385673197.db2.gz FKANEVLVFALTRS-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCCC#N ZINC000273183468 385673200 /nfs/dbraw/zinc/67/32/00/385673200.db2.gz FKANEVLVFALTRS-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO CCCC[N@H+](C)C[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000344106861 393894555 /nfs/dbraw/zinc/89/45/55/393894555.db2.gz UNEJEJWTKBTVFU-KKUMJFAQSA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000344106861 393894559 /nfs/dbraw/zinc/89/45/59/393894559.db2.gz UNEJEJWTKBTVFU-KKUMJFAQSA-N 1 3 251.418 2.779 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442858440 394140109 /nfs/dbraw/zinc/14/01/09/394140109.db2.gz HWVRCTWNBJDMKZ-KZNAEPCWSA-N 1 3 283.419 2.790 20 30 CFEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442858440 394140111 /nfs/dbraw/zinc/14/01/11/394140111.db2.gz HWVRCTWNBJDMKZ-KZNAEPCWSA-N 1 3 283.419 2.790 20 30 CFEDHO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371179961 394298649 /nfs/dbraw/zinc/29/86/49/394298649.db2.gz ZQBPJWWLXZZETE-SJORKVTESA-N 1 3 280.456 2.511 20 30 CFEDHO C=CCC[C@H](O)C[N@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371179961 394298653 /nfs/dbraw/zinc/29/86/53/394298653.db2.gz ZQBPJWWLXZZETE-SJORKVTESA-N 1 3 280.456 2.511 20 30 CFEDHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353431596 163362735 /nfs/dbraw/zinc/36/27/35/163362735.db2.gz ZYYUXFCWFIGWPS-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C1 ZINC000651676920 413561757 /nfs/dbraw/zinc/56/17/57/413561757.db2.gz RRMUGVZIUYPOGY-QZTJIDSGSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000661760486 414197498 /nfs/dbraw/zinc/19/74/98/414197498.db2.gz VSUQHUONDZJKAE-UHFFFAOYSA-N 1 3 281.488 2.689 20 30 CFEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000661760486 414197509 /nfs/dbraw/zinc/19/75/09/414197509.db2.gz VSUQHUONDZJKAE-UHFFFAOYSA-N 1 3 281.488 2.689 20 30 CFEDHO C=CCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000117877743 262359458 /nfs/dbraw/zinc/35/94/58/262359458.db2.gz JCGQIZLOMOGPKI-HZPDHXFCSA-N 1 3 280.456 2.774 20 30 CFEDHO C=CCOc1ccc(CNC[C@@H](C)C[NH3+])cc1Cl ZINC000414887160 263100173 /nfs/dbraw/zinc/10/01/73/263100173.db2.gz YXNKZQDQZKJCOG-NSHDSACASA-N 1 3 268.788 2.589 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000341891001 263364131 /nfs/dbraw/zinc/36/41/31/263364131.db2.gz UOZZYFKOTRBBNE-XYJFISCASA-N 1 3 294.483 2.804 20 30 CFEDHO C=CC[C@H](CO)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000341891001 263364133 /nfs/dbraw/zinc/36/41/33/263364133.db2.gz UOZZYFKOTRBBNE-XYJFISCASA-N 1 3 294.483 2.804 20 30 CFEDHO CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442791142 265005459 /nfs/dbraw/zinc/00/54/59/265005459.db2.gz NEGMGKIHPUHOOX-ARFHVFGLSA-N 1 3 263.429 2.923 20 30 CFEDHO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442791142 265005462 /nfs/dbraw/zinc/00/54/62/265005462.db2.gz NEGMGKIHPUHOOX-ARFHVFGLSA-N 1 3 263.429 2.923 20 30 CFEDHO CN(C)C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411267147 328081378 /nfs/dbraw/zinc/08/13/78/328081378.db2.gz KZKPUZIMGJIWRO-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO CN(C)C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411267147 328081379 /nfs/dbraw/zinc/08/13/79/328081379.db2.gz KZKPUZIMGJIWRO-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO C=CCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571392564 328118145 /nfs/dbraw/zinc/11/81/45/328118145.db2.gz USYWUWYSQSHMDG-HDICACEKSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571392564 328118146 /nfs/dbraw/zinc/11/81/46/328118146.db2.gz USYWUWYSQSHMDG-HDICACEKSA-N 1 3 293.499 2.833 20 30 CFEDHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CN1CCCCC1 ZINC000185788445 329331695 /nfs/dbraw/zinc/33/16/95/329331695.db2.gz UHEBXRXEWBCSMS-OWCLPIDISA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788445 329331697 /nfs/dbraw/zinc/33/16/97/329331697.db2.gz UHEBXRXEWBCSMS-OWCLPIDISA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185759841 329331322 /nfs/dbraw/zinc/33/13/22/329331322.db2.gz PPNBTWFAUSMTMS-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705522 325226776 /nfs/dbraw/zinc/22/67/76/325226776.db2.gz MZYLZKIGFWEYKQ-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705522 325226778 /nfs/dbraw/zinc/22/67/78/325226778.db2.gz MZYLZKIGFWEYKQ-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C#N)cc1 ZINC000582705522 325226780 /nfs/dbraw/zinc/22/67/80/325226780.db2.gz MZYLZKIGFWEYKQ-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000185759841 329331320 /nfs/dbraw/zinc/33/13/20/329331320.db2.gz PPNBTWFAUSMTMS-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000185759841 329331321 /nfs/dbraw/zinc/33/13/21/329331321.db2.gz PPNBTWFAUSMTMS-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO CC(C)C[NH+]1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185772666 329331523 /nfs/dbraw/zinc/33/15/23/329331523.db2.gz OZZXJLZDGQTGOU-ZBFHGGJFSA-N 1 3 263.429 2.779 20 30 CFEDHO CC[NH2+][C@H](C)CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000423388657 330200052 /nfs/dbraw/zinc/20/00/52/330200052.db2.gz UMHAPQPSUNGMLD-FAEJEUNOSA-N 1 3 285.435 2.978 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000424368358 330348039 /nfs/dbraw/zinc/34/80/39/330348039.db2.gz PSJKTODNABQFHM-BSWAZPDLSA-N 1 3 269.392 2.762 20 30 CFEDHO CC(C)(CC#N)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459737740 331297064 /nfs/dbraw/zinc/29/70/64/331297064.db2.gz WFJKJXJBPJBFAK-UHFFFAOYSA-N 1 3 272.396 2.580 20 30 CFEDHO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CN(C)C ZINC000491590467 332241824 /nfs/dbraw/zinc/24/18/24/332241824.db2.gz AGXWBQLVSCMNPO-HNNXBMFYSA-N 1 3 289.423 2.656 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000249384524 334333120 /nfs/dbraw/zinc/33/31/20/334333120.db2.gz YANBGHFCZOMOFL-HUUCEWRRSA-N 1 3 287.407 2.581 20 30 CFEDHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472345 533883284 /nfs/dbraw/zinc/88/32/84/533883284.db2.gz NENIGPYUWCEMFG-IACUBPJLSA-N 1 3 275.371 2.865 20 30 CFEDHO CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971944 618446458 /nfs/dbraw/zinc/44/64/58/618446458.db2.gz PRLMRWMEBJVAQP-HIFRSBDPSA-N 1 3 263.429 2.921 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178412705 618994849 /nfs/dbraw/zinc/99/48/49/618994849.db2.gz LOYVLLJEJUREGR-INIZCTEOSA-N 1 3 286.419 2.835 20 30 CFEDHO CCc1ccc(NC(=[NH2+])NC[C@H](CC)N2CCCC2)cc1 ZINC000104166857 619015625 /nfs/dbraw/zinc/01/56/25/619015625.db2.gz WGKMXTBQMWAGKK-INIZCTEOSA-N 1 3 288.439 2.850 20 30 CFEDHO C[C@@H]1CN(CC(C)(C)CCC#N)CCN1c1cc[nH+]cc1 ZINC000895557446 619554863 /nfs/dbraw/zinc/55/48/63/619554863.db2.gz QQAVHKYIIXBGFA-OAHLLOKOSA-N 1 3 286.423 2.922 20 30 CFEDHO C[NH2+]C[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000903712964 621430831 /nfs/dbraw/zinc/43/08/31/621430831.db2.gz CODIVSNKDDQDDZ-OAHLLOKOSA-N 1 3 263.429 2.782 20 30 CFEDHO N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)CCC1 ZINC000903770277 621438212 /nfs/dbraw/zinc/43/82/12/621438212.db2.gz WHXUXVUJDGQNLW-GOEBONIOSA-N 1 3 261.413 2.664 20 30 CFEDHO N#CC1(CCCC[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)CCC1 ZINC000903770277 621438214 /nfs/dbraw/zinc/43/82/14/621438214.db2.gz WHXUXVUJDGQNLW-GOEBONIOSA-N 1 3 261.413 2.664 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911866062 622561247 /nfs/dbraw/zinc/56/12/47/622561247.db2.gz ZMFUYDZWKANFRE-GPANFISMSA-N 1 3 297.487 2.793 20 30 CFEDHO CCN1CCC[C@H](C[NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921625359 626001697 /nfs/dbraw/zinc/00/16/97/626001697.db2.gz SIELNPJGHRMHTJ-MRXNPFEDSA-N 1 3 285.435 2.997 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000773010578 627768174 /nfs/dbraw/zinc/76/81/74/627768174.db2.gz NSEYFTPVUUFFON-RDJZCZTQSA-N 1 3 294.508 2.986 20 30 CFEDHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OCC#N)cc1 ZINC000843344312 631933187 /nfs/dbraw/zinc/93/31/87/631933187.db2.gz VDPADGBTKDNGQS-AWEZNQCLSA-N 1 3 295.386 2.898 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000817919691 632734969 /nfs/dbraw/zinc/73/49/69/632734969.db2.gz UDNGCGNBDSTVOU-UMVBOHGHSA-N 1 3 275.396 2.583 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970146 632768274 /nfs/dbraw/zinc/76/82/74/632768274.db2.gz MQHDHYGLKVQDTL-IMJJTQAJSA-N 1 3 272.392 2.619 20 30 CFEDHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccc(C#N)cc2)C1 ZINC000866707167 638868880 /nfs/dbraw/zinc/86/88/80/638868880.db2.gz MNVNZQUWAMPYCX-KRWDZBQOSA-N 1 3 271.408 2.755 20 30 CFEDHO Cc1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1C ZINC000303894013 651007429 /nfs/dbraw/zinc/00/74/29/651007429.db2.gz ONGLWMKWBIJGNV-UHFFFAOYSA-N 1 3 288.439 2.906 20 30 CFEDHO C=CCCC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000883215999 645669966 /nfs/dbraw/zinc/66/99/66/645669966.db2.gz JQRQFGIYQNOQRY-QZTJIDSGSA-N 1 3 288.435 2.740 20 30 CFEDHO C=CCCC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000883215999 645669967 /nfs/dbraw/zinc/66/99/67/645669967.db2.gz JQRQFGIYQNOQRY-QZTJIDSGSA-N 1 3 288.435 2.740 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000883390152 645788681 /nfs/dbraw/zinc/78/86/81/645788681.db2.gz GRCLQZDFRXUKOM-JQHSSLGASA-N 1 3 294.483 2.946 20 30 CFEDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(OCC#N)cc2)C1 ZINC000925624341 648245427 /nfs/dbraw/zinc/24/54/27/648245427.db2.gz ZQHKCPXXWXEHDP-HUUCEWRRSA-N 1 3 287.407 2.585 20 30 CFEDHO C[C@@H]1CNC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000925784936 648323622 /nfs/dbraw/zinc/32/36/22/648323622.db2.gz UBJDLBSZHWWLRW-CCGTUFIJSA-N 1 3 283.419 2.588 20 30 CFEDHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931765320 649485981 /nfs/dbraw/zinc/48/59/81/649485981.db2.gz VTLCFRSOBNUSRF-KLAILNCOSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CCC(C#N)CC1 ZINC000931765320 649485983 /nfs/dbraw/zinc/48/59/83/649485983.db2.gz VTLCFRSOBNUSRF-KLAILNCOSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@H](CNC(=[NH2+])NC1CCCCCC1)N1CCCC[C@H]1C ZINC000305750604 651074708 /nfs/dbraw/zinc/07/47/08/651074708.db2.gz ZOYBNXBLAIJAAX-HUUCEWRRSA-N 1 3 294.487 2.876 20 30 CFEDHO CCc1cc(C#N)ccc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206808011 769987235 /nfs/dbraw/zinc/98/72/35/769987235.db2.gz JJHRPZFNPNHCKI-ZFWWWQNUSA-N 1 3 271.408 2.680 20 30 CFEDHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695789129 776012949 /nfs/dbraw/zinc/01/29/49/776012949.db2.gz VBKHLAICMDGISQ-KGLIPLIRSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695789129 776012958 /nfs/dbraw/zinc/01/29/58/776012958.db2.gz VBKHLAICMDGISQ-KGLIPLIRSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000695789129 776012968 /nfs/dbraw/zinc/01/29/68/776012968.db2.gz VBKHLAICMDGISQ-KGLIPLIRSA-N 1 3 251.418 2.635 20 30 CFEDHO [NH3+]C[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235750625 778551984 /nfs/dbraw/zinc/55/19/84/778551984.db2.gz QFDVLMJKMMFAAL-FQEVSTJZSA-N 1 3 290.410 2.867 20 30 CFEDHO C=CCc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1[O-] ZINC001236314344 778773906 /nfs/dbraw/zinc/77/39/06/778773906.db2.gz BJNBHWPYCUMVTK-IYBDPMFKSA-N 1 3 286.419 2.552 20 30 CFEDHO C=CCc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1[O-] ZINC001236314344 778773908 /nfs/dbraw/zinc/77/39/08/778773908.db2.gz BJNBHWPYCUMVTK-IYBDPMFKSA-N 1 3 286.419 2.552 20 30 CFEDHO CCCN(Cc1ccc(C#N)cc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236842809 778962266 /nfs/dbraw/zinc/96/22/66/778962266.db2.gz ALSIMICZGHCYFY-MRXNPFEDSA-N 1 3 285.435 2.942 20 30 CFEDHO C[N@@H+]1C[C@@]2(C)CN(CCCCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706252043 781164212 /nfs/dbraw/zinc/16/42/12/781164212.db2.gz BDYYQNBRJHEIDI-CALCHBBNSA-N 1 3 277.456 2.980 20 30 CFEDHO C[N@H+]1C[C@@]2(C)CN(CCCCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706252043 781164217 /nfs/dbraw/zinc/16/42/17/781164217.db2.gz BDYYQNBRJHEIDI-CALCHBBNSA-N 1 3 277.456 2.980 20 30 CFEDHO N#Cc1csc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000594999977 349542967 /nfs/dbraw/zinc/54/29/67/349542967.db2.gz AHGHDIBOGBVVJN-UHFFFAOYSA-N 1 3 289.448 2.831 20 30 CFEDHO N#Cc1ccc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000595000150 349543364 /nfs/dbraw/zinc/54/33/64/349543364.db2.gz CYAUUAGFOVFQRP-UHFFFAOYSA-N 1 3 289.448 2.831 20 30 CFEDHO N#CCCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595511866 349647700 /nfs/dbraw/zinc/64/77/00/349647700.db2.gz UBWYOVJBSNNUQM-UHFFFAOYSA-N 1 3 271.408 2.934 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095395 349793648 /nfs/dbraw/zinc/79/36/48/349793648.db2.gz PZITXJMYVAOTPA-IXDOHACOSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596095395 349793651 /nfs/dbraw/zinc/79/36/51/349793651.db2.gz PZITXJMYVAOTPA-IXDOHACOSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000596095395 349793653 /nfs/dbraw/zinc/79/36/53/349793653.db2.gz PZITXJMYVAOTPA-IXDOHACOSA-N 1 3 275.440 2.780 20 30 CFEDHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000596653386 349969725 /nfs/dbraw/zinc/96/97/25/349969725.db2.gz KEIPIFMXRKWPJV-HZPDHXFCSA-N 1 3 259.397 2.972 20 30 CFEDHO N#CCC1(CNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000361432499 348507108 /nfs/dbraw/zinc/50/71/08/348507108.db2.gz PAQWOSBHDVVUKM-UHFFFAOYSA-N 1 3 297.446 2.977 20 30 CFEDHO C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1CC[NH3+] ZINC000404303792 348590394 /nfs/dbraw/zinc/59/03/94/348590394.db2.gz CGHFPNPFUFQMRP-XJKSGUPXSA-N 1 3 257.381 2.508 20 30 CFEDHO C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1CC[NH3+] ZINC000404303790 348590543 /nfs/dbraw/zinc/59/05/43/348590543.db2.gz CGHFPNPFUFQMRP-CZUORRHYSA-N 1 3 257.381 2.508 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC000591686616 349038416 /nfs/dbraw/zinc/03/84/16/349038416.db2.gz WFLLTCMCVJELEQ-BRWVUGGUSA-N 1 3 269.392 2.795 20 30 CFEDHO N#Cc1ccccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000598681545 350310163 /nfs/dbraw/zinc/31/01/63/350310163.db2.gz GUULLVRMBXEMEQ-KRWDZBQOSA-N 1 3 283.419 2.770 20 30 CFEDHO C[C@H](CCC#N)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000602478247 350898848 /nfs/dbraw/zinc/89/88/48/350898848.db2.gz OKLWNEQSWPKHTM-CVEARBPZSA-N 1 3 263.429 2.877 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(C#N)n1 ZINC000602515106 350911294 /nfs/dbraw/zinc/91/12/94/350911294.db2.gz UHENJJZXKWXPGZ-OAHLLOKOSA-N 1 3 286.423 2.697 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(C#N)n1 ZINC000602515106 350911296 /nfs/dbraw/zinc/91/12/96/350911296.db2.gz UHENJJZXKWXPGZ-OAHLLOKOSA-N 1 3 286.423 2.697 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000602516997 350912274 /nfs/dbraw/zinc/91/22/74/350912274.db2.gz UYOLXMNLAFXGOP-OAHLLOKOSA-N 1 3 289.423 2.656 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000602583608 350934560 /nfs/dbraw/zinc/93/45/60/350934560.db2.gz ZVTNLDZEXTWJHQ-HNNXBMFYSA-N 1 3 286.423 2.827 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000602631685 350953617 /nfs/dbraw/zinc/95/36/17/350953617.db2.gz QQRPAPJZIBZMHL-AWEZNQCLSA-N 1 3 251.418 2.638 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000602878879 351056306 /nfs/dbraw/zinc/05/63/06/351056306.db2.gz ZVCSYKFYPIVWBL-UHFFFAOYSA-N 1 3 287.382 2.615 20 30 CFEDHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392893 351680347 /nfs/dbraw/zinc/68/03/47/351680347.db2.gz UCLQVXWFEKZAHE-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392893 351680350 /nfs/dbraw/zinc/68/03/50/351680350.db2.gz UCLQVXWFEKZAHE-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411797 188016683 /nfs/dbraw/zinc/01/66/83/188016683.db2.gz OXNWMZNLHAQVBX-JKSUJKDBSA-N 1 3 298.430 2.834 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152411797 188016684 /nfs/dbraw/zinc/01/66/84/188016684.db2.gz OXNWMZNLHAQVBX-JKSUJKDBSA-N 1 3 298.430 2.834 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411609 188016947 /nfs/dbraw/zinc/01/69/47/188016947.db2.gz OXNWMZNLHAQVBX-HOTGVXAUSA-N 1 3 298.430 2.834 20 30 CFEDHO C#CCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152411609 188016948 /nfs/dbraw/zinc/01/69/48/188016948.db2.gz OXNWMZNLHAQVBX-HOTGVXAUSA-N 1 3 298.430 2.834 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414907562 540830375 /nfs/dbraw/zinc/83/03/75/540830375.db2.gz AORWJDIPTNNUTN-CABCVRRESA-N 1 3 290.407 2.620 20 30 CFEDHO CCc1cccc(NC(=[NH2+])NCC(C)(C)CN(C)C)c1 ZINC000104153656 375770278 /nfs/dbraw/zinc/77/02/78/375770278.db2.gz ZLVVBWPOIAAXBQ-UHFFFAOYSA-N 1 3 276.428 2.563 20 30 CFEDHO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000152066259 378389477 /nfs/dbraw/zinc/38/94/77/378389477.db2.gz FBSJWBYALGGIEI-BZSNNMDCSA-N 1 3 293.499 2.757 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000336253288 380297368 /nfs/dbraw/zinc/29/73/68/380297368.db2.gz AQACOLPNGBDMHN-UKRRQHHQSA-N 1 3 261.413 2.675 20 30 CFEDHO C=C(CC)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358515269 380899127 /nfs/dbraw/zinc/89/91/27/380899127.db2.gz XTFSNFJEBVIIIN-IYBDPMFKSA-N 1 3 280.456 2.774 20 30 CFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181875324 380923897 /nfs/dbraw/zinc/92/38/97/380923897.db2.gz VMSDCMWPRMITLH-YOEHRIQHSA-N 1 3 289.423 2.566 20 30 CFEDHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C#N ZINC000289838898 381183076 /nfs/dbraw/zinc/18/30/76/381183076.db2.gz UNOPRVZHPKUVAU-SJPCQFCGSA-N 1 3 299.418 2.624 20 30 CFEDHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C#N ZINC000289838898 381183081 /nfs/dbraw/zinc/18/30/81/381183081.db2.gz UNOPRVZHPKUVAU-SJPCQFCGSA-N 1 3 299.418 2.624 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290442822 381432086 /nfs/dbraw/zinc/43/20/86/381432086.db2.gz LVLSRHBJOPCZAV-IBGZPJMESA-N 1 3 282.431 2.832 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290442822 381432093 /nfs/dbraw/zinc/43/20/93/381432093.db2.gz LVLSRHBJOPCZAV-IBGZPJMESA-N 1 3 282.431 2.832 20 30 CFEDHO C=C(CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298606874 381687629 /nfs/dbraw/zinc/68/76/29/381687629.db2.gz ZRMNHUWKTYNDNT-UHFFFAOYSA-N 1 3 256.393 2.916 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000349755425 381986158 /nfs/dbraw/zinc/98/61/58/381986158.db2.gz GCWSGCJGQZRREU-DJIMGWMZSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000349755425 381986160 /nfs/dbraw/zinc/98/61/60/381986160.db2.gz GCWSGCJGQZRREU-DJIMGWMZSA-N 1 3 280.456 2.556 20 30 CFEDHO C[NH+](C)[C@@H]1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000375625982 382094094 /nfs/dbraw/zinc/09/40/94/382094094.db2.gz QMRZDUWGJGSKKJ-MRXNPFEDSA-N 1 3 293.455 2.503 20 30 CFEDHO CN(C)[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375625982 382094101 /nfs/dbraw/zinc/09/41/01/382094101.db2.gz QMRZDUWGJGSKKJ-MRXNPFEDSA-N 1 3 293.455 2.503 20 30 CFEDHO CN(C)[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375625982 382094104 /nfs/dbraw/zinc/09/41/04/382094104.db2.gz QMRZDUWGJGSKKJ-MRXNPFEDSA-N 1 3 293.455 2.503 20 30 CFEDHO N#CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309683112 382490122 /nfs/dbraw/zinc/49/01/22/382490122.db2.gz BAERLSRXPCEXIJ-RCCFBDPRSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309683112 382490127 /nfs/dbraw/zinc/49/01/27/382490127.db2.gz BAERLSRXPCEXIJ-RCCFBDPRSA-N 1 3 283.419 2.790 20 30 CFEDHO N#CCCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309683112 382490134 /nfs/dbraw/zinc/49/01/34/382490134.db2.gz BAERLSRXPCEXIJ-RCCFBDPRSA-N 1 3 283.419 2.790 20 30 CFEDHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407347 383086431 /nfs/dbraw/zinc/08/64/31/383086431.db2.gz ZYQSOEHVYYLPPK-BPNCWPANSA-N 1 3 261.344 2.618 20 30 CFEDHO C[C@@H]1C[C@H](CCNCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117360 383184053 /nfs/dbraw/zinc/18/40/53/383184053.db2.gz UNKYUVAGXKHOOY-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H]1C[C@H](CCNCCC#N)C[N@H+]1Cc1ccccc1 ZINC000566117360 383184057 /nfs/dbraw/zinc/18/40/57/383184057.db2.gz UNKYUVAGXKHOOY-WBVHZDCISA-N 1 3 271.408 2.790 20 30 CFEDHO C=CCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000566837270 383216783 /nfs/dbraw/zinc/21/67/83/383216783.db2.gz CFHHAZNVVYOIKB-UHFFFAOYSA-N 1 3 293.499 2.833 20 30 CFEDHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cccc(C#N)c1 ZINC000423095159 532977979 /nfs/dbraw/zinc/97/79/79/532977979.db2.gz DLIYUGUCXSJKKB-DNVCBOLYSA-N 1 3 293.414 2.649 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449702302 383362425 /nfs/dbraw/zinc/36/24/25/383362425.db2.gz YLMABTYACBBHEB-CGTJXYLNSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449702302 383362428 /nfs/dbraw/zinc/36/24/28/383362428.db2.gz YLMABTYACBBHEB-CGTJXYLNSA-N 1 3 294.483 2.946 20 30 CFEDHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980030 385417627 /nfs/dbraw/zinc/41/76/27/385417627.db2.gz YNNMQATZZOTOIN-STQMWFEESA-N 1 3 287.382 2.832 20 30 CFEDHO CCN(C)C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000336806066 262395817 /nfs/dbraw/zinc/39/58/17/262395817.db2.gz DBGFOVYYNDDYBD-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(C)C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336806066 262395818 /nfs/dbraw/zinc/39/58/18/262395818.db2.gz DBGFOVYYNDDYBD-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000373864315 393475778 /nfs/dbraw/zinc/47/57/78/393475778.db2.gz CHUFOQZIDYECBX-MAUKXSAKSA-N 1 3 292.467 2.964 20 30 CFEDHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600360 393683181 /nfs/dbraw/zinc/68/31/81/393683181.db2.gz LCZXKJUWRFYPNR-BARLLCKDSA-N 1 3 297.446 2.978 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCNCC1 ZINC000335452306 393669313 /nfs/dbraw/zinc/66/93/13/393669313.db2.gz NRZCQBTUHLWRGI-QGZVFWFLSA-N 1 3 269.392 2.667 20 30 CFEDHO CC[NH+](CC)CCOC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339009494 393809815 /nfs/dbraw/zinc/80/98/15/393809815.db2.gz KEFQTYXLDQHVLL-HZPDHXFCSA-N 1 3 293.455 2.501 20 30 CFEDHO CC[NH+](CC)CCCC1CCN(C(=O)C(C)C#N)CC1 ZINC000360892061 394160740 /nfs/dbraw/zinc/16/07/40/394160740.db2.gz WUKAVESQRSTAOO-AWEZNQCLSA-N 1 3 279.428 2.507 20 30 CFEDHO C#CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000366793413 394248185 /nfs/dbraw/zinc/24/81/85/394248185.db2.gz YDDAOLLZCRSOFI-JCHJZTRSSA-N 1 3 282.431 2.898 20 30 CFEDHO CN(C)CC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCCC1 ZINC000421344794 394192341 /nfs/dbraw/zinc/19/23/41/394192341.db2.gz QBPVVXRVFPEGTO-UHFFFAOYSA-N 1 3 289.398 2.909 20 30 CFEDHO C[C@H]([NH3+])CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423225789 394274162 /nfs/dbraw/zinc/27/41/62/394274162.db2.gz OGUBLVARMJRCNY-LRDDRELGSA-N 1 3 257.381 2.653 20 30 CFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(CC)CC1 ZINC000657835043 413987729 /nfs/dbraw/zinc/98/77/29/413987729.db2.gz RZOJPDFLYNUMTO-QZTJIDSGSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000658117367 414216444 /nfs/dbraw/zinc/21/64/44/414216444.db2.gz UXVBWTIUQGNSAQ-CQSZACIVSA-N 1 3 262.397 2.854 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000347117572 226032693 /nfs/dbraw/zinc/03/26/93/226032693.db2.gz UXACPOHQAWSOBI-HNNXBMFYSA-N 1 3 299.418 2.838 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000360954209 261137133 /nfs/dbraw/zinc/13/71/33/261137133.db2.gz FTDBXNKEYGRILU-IXDOHACOSA-N 1 3 282.472 2.804 20 30 CFEDHO C=CCC[C@H](O)CN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360954209 261137136 /nfs/dbraw/zinc/13/71/36/261137136.db2.gz FTDBXNKEYGRILU-IXDOHACOSA-N 1 3 282.472 2.804 20 30 CFEDHO CC[NH+](CC)CC1CCN([C@@H](C)CCC#N)CC1 ZINC000411170189 262682015 /nfs/dbraw/zinc/68/20/15/262682015.db2.gz AFRXODFDTXFOOO-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414932159 263137829 /nfs/dbraw/zinc/13/78/29/263137829.db2.gz VMEHPICCNRKJGY-LSDHHAIUSA-N 1 3 260.381 2.611 20 30 CFEDHO C=C(Cl)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887744 267124947 /nfs/dbraw/zinc/12/49/47/267124947.db2.gz VYZAHAJPQBLESN-UHFFFAOYSA-N 1 3 279.815 2.982 20 30 CFEDHO C[NH+]1CCC2(CCCN(Cc3ccccc3C#N)C2)CC1 ZINC000369703339 277036807 /nfs/dbraw/zinc/03/68/07/277036807.db2.gz MFUYNOOFEJITQC-UHFFFAOYSA-N 1 3 283.419 2.866 20 30 CFEDHO C=CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177510307 329185112 /nfs/dbraw/zinc/18/51/12/329185112.db2.gz GXKJKLSCNBXVGJ-HOTGVXAUSA-N 1 3 280.456 2.774 20 30 CFEDHO CC1CCN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185760532 329331334 /nfs/dbraw/zinc/33/13/34/329331334.db2.gz GSNQEWZPXAZAIS-HOTGVXAUSA-N 1 3 263.429 2.780 20 30 CFEDHO CC1CC[NH+](CCCN[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185760532 329331335 /nfs/dbraw/zinc/33/13/35/329331335.db2.gz GSNQEWZPXAZAIS-HOTGVXAUSA-N 1 3 263.429 2.780 20 30 CFEDHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185760181 329331352 /nfs/dbraw/zinc/33/13/52/329331352.db2.gz QBWIYNILTVIJAA-IAGOWNOFSA-N 1 3 271.408 2.920 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000583815917 329482458 /nfs/dbraw/zinc/48/24/58/329482458.db2.gz FEPVXVMYKPRKPB-HZPDHXFCSA-N 1 3 284.407 2.580 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423151527 330172850 /nfs/dbraw/zinc/17/28/50/330172850.db2.gz CNQVQOWWSONZJU-ZOFXXKQRSA-N 1 3 275.440 2.969 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423165875 330174042 /nfs/dbraw/zinc/17/40/42/330174042.db2.gz BLWYJVQEOMGFMG-RRFJBIMHSA-N 1 3 263.429 2.827 20 30 CFEDHO CNCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423205505 330177032 /nfs/dbraw/zinc/17/70/32/330177032.db2.gz VZUDSZKIHGJJBK-UHFFFAOYSA-N 1 3 271.408 2.590 20 30 CFEDHO C[C@@H]1CN(CCCC[NH2+]CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000174316393 335152443 /nfs/dbraw/zinc/15/24/43/335152443.db2.gz NITVXDZOPFYIJR-HZPDHXFCSA-N 1 3 295.471 2.795 20 30 CFEDHO Cc1nnc(C)n1N=CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000747630891 574203802 /nfs/dbraw/zinc/20/38/02/574203802.db2.gz WOFQAEMVJYWOAS-UHFFFAOYSA-N 1 3 299.422 2.887 20 30 CFEDHO Cc1nnc(C)n1N=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000747630891 574203806 /nfs/dbraw/zinc/20/38/06/574203806.db2.gz WOFQAEMVJYWOAS-UHFFFAOYSA-N 1 3 299.422 2.887 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925696150 618948017 /nfs/dbraw/zinc/94/80/17/618948017.db2.gz STZDJAGUPNNOLF-HUUCEWRRSA-N 1 3 263.429 2.684 20 30 CFEDHO N#Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903199905 621283382 /nfs/dbraw/zinc/28/33/82/621283382.db2.gz OLQZRWILLJVBBD-JLYLLQBASA-N 1 3 295.430 2.848 20 30 CFEDHO N#Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903199905 621283384 /nfs/dbraw/zinc/28/33/84/621283384.db2.gz OLQZRWILLJVBBD-JLYLLQBASA-N 1 3 295.430 2.848 20 30 CFEDHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@H]1CN ZINC000903459954 621381235 /nfs/dbraw/zinc/38/12/35/621381235.db2.gz RXUWFMDVPHXYDQ-BKAAIYKLSA-N 1 3 263.429 2.622 20 30 CFEDHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCC(C#N)CC2)C[C@H]1CN ZINC000903459954 621381238 /nfs/dbraw/zinc/38/12/38/621381238.db2.gz RXUWFMDVPHXYDQ-BKAAIYKLSA-N 1 3 263.429 2.622 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@H]1CC[NH3+] ZINC000903452052 621386948 /nfs/dbraw/zinc/38/69/48/621386948.db2.gz HANVIVNPLJQOMO-INIZCTEOSA-N 1 3 271.408 2.878 20 30 CFEDHO C#C[C@H](C)N(C)Cc1ccccc1C[N@H+](C)[C@@H](C)C#C ZINC000769962098 627492119 /nfs/dbraw/zinc/49/21/19/627492119.db2.gz XNZRPVPCROMDMK-HOTGVXAUSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@H](C)N(C)Cc1ccccc1C[N@@H+](C)[C@@H](C)C#C ZINC000769962098 627492121 /nfs/dbraw/zinc/49/21/21/627492121.db2.gz XNZRPVPCROMDMK-HOTGVXAUSA-N 1 3 268.404 2.594 20 30 CFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CC2 ZINC000817948269 632749123 /nfs/dbraw/zinc/74/91/23/632749123.db2.gz IAFBGCUALIIGQR-IBGZPJMESA-N 1 3 291.398 2.837 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818614734 632879758 /nfs/dbraw/zinc/87/97/58/632879758.db2.gz FROYYEBBEGKQBU-IAOVAPTHSA-N 1 3 272.392 2.619 20 30 CFEDHO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818614735 632880359 /nfs/dbraw/zinc/88/03/59/632880359.db2.gz FROYYEBBEGKQBU-KBRIMQKVSA-N 1 3 272.392 2.619 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720592 633324162 /nfs/dbraw/zinc/32/41/62/633324162.db2.gz ZUAKOBFBVQWOGH-BZUAXINKSA-N 1 3 287.407 2.727 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000876949081 643076194 /nfs/dbraw/zinc/07/61/94/643076194.db2.gz RQKKTYYTTQWPSN-CYBMUJFWSA-N 1 3 251.418 2.779 20 30 CFEDHO CN1CCC[C@@H]1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432476 644269399 /nfs/dbraw/zinc/26/93/99/644269399.db2.gz AVIAJWPYHGKAGR-QGZVFWFLSA-N 1 3 271.408 2.517 20 30 CFEDHO CN1CCC[C@@H]1CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432476 644269404 /nfs/dbraw/zinc/26/94/04/644269404.db2.gz AVIAJWPYHGKAGR-QGZVFWFLSA-N 1 3 271.408 2.517 20 30 CFEDHO CC1(N2CCC2)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000880474869 644728693 /nfs/dbraw/zinc/72/86/93/644728693.db2.gz MWJAXWWEVVMWHW-UHFFFAOYSA-N 1 3 283.419 2.661 20 30 CFEDHO CCCC[C@@H](CC)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303713799 650999366 /nfs/dbraw/zinc/99/93/66/650999366.db2.gz QYUOVLZLPMYSQD-CABCVRRESA-N 1 3 282.476 2.591 20 30 CFEDHO CCCC[C@H](CC)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303713803 650999516 /nfs/dbraw/zinc/99/95/16/650999516.db2.gz QYUOVLZLPMYSQD-LSDHHAIUSA-N 1 3 282.476 2.591 20 30 CFEDHO CCc1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1 ZINC000303904216 651008332 /nfs/dbraw/zinc/00/83/32/651008332.db2.gz UVOMAIXPNAZCMQ-UHFFFAOYSA-N 1 3 288.439 2.852 20 30 CFEDHO C[C@@H]1CCCN(C(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)C1 ZINC000303891230 651006355 /nfs/dbraw/zinc/00/63/55/651006355.db2.gz QLTDWLZAANIARV-UXLLHSPISA-N 1 3 294.487 2.544 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCC(C)(C)C ZINC000303983898 651011176 /nfs/dbraw/zinc/01/11/76/651011176.db2.gz RNSMXLNZIKDZRF-AWEZNQCLSA-N 1 3 282.476 2.591 20 30 CFEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCCO1 ZINC000883195146 645655646 /nfs/dbraw/zinc/65/56/46/645655646.db2.gz LRWZCXLOXVKQNQ-QZWWFDLISA-N 1 3 280.456 2.963 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NCCC[NH+]1CCCCC1 ZINC000924579404 647999395 /nfs/dbraw/zinc/99/93/95/647999395.db2.gz WSGMZVSTKOAOKC-AWEZNQCLSA-N 1 3 251.418 2.780 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925654238 648263665 /nfs/dbraw/zinc/26/36/65/648263665.db2.gz FFTGCQFJPZFKCI-TVFCKZIOSA-N 1 3 292.467 2.726 20 30 CFEDHO C=CC(C)(C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925683263 648278468 /nfs/dbraw/zinc/27/84/68/648278468.db2.gz NLISUSHJHXSELW-CABCVRRESA-N 1 3 250.430 2.957 20 30 CFEDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000926602454 648549751 /nfs/dbraw/zinc/54/97/51/648549751.db2.gz LJUJNBKBLRASHK-GKMDZDJDSA-N 1 3 295.430 2.865 20 30 CFEDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000926602454 648549755 /nfs/dbraw/zinc/54/97/55/648549755.db2.gz LJUJNBKBLRASHK-GKMDZDJDSA-N 1 3 295.430 2.865 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929749132 649110763 /nfs/dbraw/zinc/11/07/63/649110763.db2.gz OGRAIRMIDUWPBX-OFLPRAFFSA-N 1 3 277.456 2.980 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929749132 649110766 /nfs/dbraw/zinc/11/07/66/649110766.db2.gz OGRAIRMIDUWPBX-OFLPRAFFSA-N 1 3 277.456 2.980 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929749129 649111022 /nfs/dbraw/zinc/11/10/22/649111022.db2.gz OGRAIRMIDUWPBX-JCYILVPMSA-N 1 3 277.456 2.980 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929749129 649111025 /nfs/dbraw/zinc/11/10/25/649111025.db2.gz OGRAIRMIDUWPBX-JCYILVPMSA-N 1 3 277.456 2.980 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439569 649427995 /nfs/dbraw/zinc/42/79/95/649427995.db2.gz OWHDUKLLFWGRRO-RRQGHBQHSA-N 1 3 269.392 2.503 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439569 649427997 /nfs/dbraw/zinc/42/79/97/649427997.db2.gz OWHDUKLLFWGRRO-RRQGHBQHSA-N 1 3 269.392 2.503 20 30 CFEDHO CN(CCNC(=[NH2+])NC1CCCCCC1)C1CCCCC1 ZINC000305742803 651073953 /nfs/dbraw/zinc/07/39/53/651073953.db2.gz IMVDPAUQXCPMGJ-UHFFFAOYSA-N 1 3 294.487 2.878 20 30 CFEDHO C#CC[N@@H+](C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168062209 777863286 /nfs/dbraw/zinc/86/32/86/777863286.db2.gz JNZGGZZAPKOYON-HZPDHXFCSA-N 1 3 270.420 2.993 20 30 CFEDHO C#CC[N@H+](C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168062209 777863290 /nfs/dbraw/zinc/86/32/90/777863290.db2.gz JNZGGZZAPKOYON-HZPDHXFCSA-N 1 3 270.420 2.993 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(C)c(C#N)c2)CC1 ZINC000701824992 780843001 /nfs/dbraw/zinc/84/30/01/780843001.db2.gz BXWUCYREIBDUQV-UHFFFAOYSA-N 1 3 271.408 2.831 20 30 CFEDHO C[C@@H]([NH3+])C[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584664 349451507 /nfs/dbraw/zinc/45/15/07/349451507.db2.gz ADWYLSQEQZBGAO-OLZOCXBDSA-N 1 3 257.381 2.653 20 30 CFEDHO N#Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000594584542 349451886 /nfs/dbraw/zinc/45/18/86/349451886.db2.gz UWNRTLDLVICFDZ-OLZOCXBDSA-N 1 3 263.772 2.571 20 30 CFEDHO N#Cc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736808 349484944 /nfs/dbraw/zinc/48/49/44/349484944.db2.gz VWGYJDAPSJCJNV-GOSISDBHSA-N 1 3 283.419 2.770 20 30 CFEDHO N#C[C@H]1CC[C@H]([NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC000595509101 349646693 /nfs/dbraw/zinc/64/66/93/349646693.db2.gz PJIQNUFKSSYOLV-WMZOPIPTSA-N 1 3 283.419 2.933 20 30 CFEDHO CN(C)CCC[N@H+](C)CCNc1c(Cl)cccc1C#N ZINC000596424684 349899283 /nfs/dbraw/zinc/89/92/83/349899283.db2.gz KEFXAPVISDHHLY-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO CN(C)CCC[N@@H+](C)CCNc1c(Cl)cccc1C#N ZINC000596424684 349899287 /nfs/dbraw/zinc/89/92/87/349899287.db2.gz KEFXAPVISDHHLY-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO CC(C)[C@H]([NH3+])CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000596652073 349968639 /nfs/dbraw/zinc/96/86/39/349968639.db2.gz GDZBJZYDHYMBAH-CVEARBPZSA-N 1 3 257.381 2.509 20 30 CFEDHO N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1Cl ZINC000591573284 349030890 /nfs/dbraw/zinc/03/08/90/349030890.db2.gz GCVNUGRAUNXAAC-GJZGRUSLSA-N 1 3 277.799 2.961 20 30 CFEDHO C[N@@H+]1C[C@@H](CN[C@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401964 349116841 /nfs/dbraw/zinc/11/68/41/349116841.db2.gz FLSNTYLQBKHCOK-BGTYHANMSA-N 1 3 283.419 2.614 20 30 CFEDHO C[N@H+]1C[C@@H](CN[C@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401964 349116842 /nfs/dbraw/zinc/11/68/42/349116842.db2.gz FLSNTYLQBKHCOK-BGTYHANMSA-N 1 3 283.419 2.614 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000598978257 350353110 /nfs/dbraw/zinc/35/31/10/350353110.db2.gz LCYPHOKHYMHLRC-AWEZNQCLSA-N 1 3 275.371 2.660 20 30 CFEDHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068687 350369859 /nfs/dbraw/zinc/36/98/59/350369859.db2.gz CGVOCBMDJWFANB-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000602020035 350833994 /nfs/dbraw/zinc/83/39/94/350833994.db2.gz IHEZAABELGFVAL-CJNGLKHVSA-N 1 3 269.392 2.504 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000602512436 350911578 /nfs/dbraw/zinc/91/15/78/350911578.db2.gz BEYJXCVFYUJDTK-PMPSAXMXSA-N 1 3 265.445 2.884 20 30 CFEDHO C[C@H](C[NH2+]C[C@@H](C)CCC#N)CN1CCCCC1 ZINC000602518781 350913225 /nfs/dbraw/zinc/91/32/25/350913225.db2.gz RWJLUZSCGHTIHW-LSDHHAIUSA-N 1 3 251.418 2.638 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000602564760 350927072 /nfs/dbraw/zinc/92/70/72/350927072.db2.gz CNRICXXLJJKZTG-CQSZACIVSA-N 1 3 263.429 2.923 20 30 CFEDHO CC[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618804444 352884294 /nfs/dbraw/zinc/88/42/94/352884294.db2.gz LKPCZCXKNIBNNS-QGZVFWFLSA-N 1 3 269.392 2.619 20 30 CFEDHO N#C[C@H]1CCC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000336253289 283065390 /nfs/dbraw/zinc/06/53/90/283065390.db2.gz AQACOLPNGBDMHN-ZFWWWQNUSA-N 1 3 261.413 2.675 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423281682 283198853 /nfs/dbraw/zinc/19/88/53/283198853.db2.gz UJGMUKAYVUFBGV-USXIJHARSA-N 1 3 269.392 2.653 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414907570 540830648 /nfs/dbraw/zinc/83/06/48/540830648.db2.gz AORWJDIPTNNUTN-HUUCEWRRSA-N 1 3 290.407 2.620 20 30 CFEDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C#N)cc1 ZINC000019905763 372205528 /nfs/dbraw/zinc/20/55/28/372205528.db2.gz LILSQNXJKNZOFP-ZDUSSCGKSA-N 1 3 259.397 2.797 20 30 CFEDHO CC(C)N1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135166789 378094471 /nfs/dbraw/zinc/09/44/71/378094471.db2.gz LRTVWVBVQSDQMQ-AWEZNQCLSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358592910 380955623 /nfs/dbraw/zinc/95/56/23/380955623.db2.gz QYXKWSIAINQOQQ-LBPRGKRZSA-N 1 3 275.371 2.690 20 30 CFEDHO C#C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000289554280 381039517 /nfs/dbraw/zinc/03/95/17/381039517.db2.gz RHKJTBGZNLEPOQ-LJQANCHMSA-N 1 3 284.447 2.941 20 30 CFEDHO C=CCC[C@@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000290511377 381457424 /nfs/dbraw/zinc/45/74/24/381457424.db2.gz YOSDKNXWUDRNDN-OAHLLOKOSA-N 1 3 291.439 2.856 20 30 CFEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343992064 382053689 /nfs/dbraw/zinc/05/36/89/382053689.db2.gz RBSZMLHZBSYZCP-HUUCEWRRSA-N 1 3 291.439 2.712 20 30 CFEDHO C[N@H+]1CC=C(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000345172329 382290423 /nfs/dbraw/zinc/29/04/23/382290423.db2.gz WMUKGLIXRNPADK-UHFFFAOYSA-N 1 3 299.418 2.721 20 30 CFEDHO C[N@@H+]1CC=C(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000345172329 382290429 /nfs/dbraw/zinc/29/04/29/382290429.db2.gz WMUKGLIXRNPADK-UHFFFAOYSA-N 1 3 299.418 2.721 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000345811614 382314946 /nfs/dbraw/zinc/31/49/46/382314946.db2.gz HSAIDIUOUJAHSU-GJZGRUSLSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000345811614 382314951 /nfs/dbraw/zinc/31/49/51/382314951.db2.gz HSAIDIUOUJAHSU-GJZGRUSLSA-N 1 3 299.418 2.694 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1C#N ZINC000353611986 382577127 /nfs/dbraw/zinc/57/71/27/382577127.db2.gz PUWXGGWYRBWERV-ZACQAIPSSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1C#N ZINC000353611986 382577132 /nfs/dbraw/zinc/57/71/32/382577132.db2.gz PUWXGGWYRBWERV-ZACQAIPSSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1C#N ZINC000353611986 382577135 /nfs/dbraw/zinc/57/71/35/382577135.db2.gz PUWXGGWYRBWERV-ZACQAIPSSA-N 1 3 299.418 2.529 20 30 CFEDHO C=C(Cl)CN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310091 382563832 /nfs/dbraw/zinc/56/38/32/382563832.db2.gz MNTKTIWLEXQZQS-ZDUSSCGKSA-N 1 3 268.832 2.935 20 30 CFEDHO C=C(Cl)CN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310091 382563836 /nfs/dbraw/zinc/56/38/36/382563836.db2.gz MNTKTIWLEXQZQS-ZDUSSCGKSA-N 1 3 268.832 2.935 20 30 CFEDHO C[NH+](C)CCCC(C)(C)NCc1ccc(C#N)cc1F ZINC000387310119 382597167 /nfs/dbraw/zinc/59/71/67/382597167.db2.gz KZEOVOPNUDZYMR-UHFFFAOYSA-N 1 3 277.387 2.907 20 30 CFEDHO CN(CCC[NH+]1CCCC1)CCCC1(C#N)CCOCC1 ZINC000337235694 382782598 /nfs/dbraw/zinc/78/25/98/382782598.db2.gz XSCXQBVGUHQXIB-UHFFFAOYSA-N 1 3 293.455 2.505 20 30 CFEDHO N#Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422988065 382999137 /nfs/dbraw/zinc/99/91/37/382999137.db2.gz IADBCUAVVHPDRJ-QZTJIDSGSA-N 1 3 293.370 2.671 20 30 CFEDHO N#CCC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562057 383165202 /nfs/dbraw/zinc/16/52/02/383165202.db2.gz KOFAFMLXMWGRPX-QAPCUYQASA-N 1 3 297.402 2.526 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248576805 383264107 /nfs/dbraw/zinc/26/41/07/383264107.db2.gz NOONBXYZMKKQTC-ZOBUZTSGSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576805 383264114 /nfs/dbraw/zinc/26/41/14/383264114.db2.gz NOONBXYZMKKQTC-ZOBUZTSGSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576805 383264120 /nfs/dbraw/zinc/26/41/20/383264120.db2.gz NOONBXYZMKKQTC-ZOBUZTSGSA-N 1 3 280.456 2.556 20 30 CFEDHO C=C(CC)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339658483 383277634 /nfs/dbraw/zinc/27/76/34/383277634.db2.gz KYDOJXYWHZGPAE-XYPWUTKMSA-N 1 3 266.429 2.526 20 30 CFEDHO C=C(CC)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339658483 383277635 /nfs/dbraw/zinc/27/76/35/383277635.db2.gz KYDOJXYWHZGPAE-XYPWUTKMSA-N 1 3 266.429 2.526 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449520380 383352887 /nfs/dbraw/zinc/35/28/87/383352887.db2.gz PEEMZMMIMIKOQQ-SPUZQDLCSA-N 1 3 292.467 2.963 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449520844 383352963 /nfs/dbraw/zinc/35/29/63/383352963.db2.gz QQLWIPCETVNJFN-SJORKVTESA-N 1 3 278.440 2.717 20 30 CFEDHO C[C@H](CCC#N)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268797 383439536 /nfs/dbraw/zinc/43/95/36/383439536.db2.gz NJWFGRWQRVPKFX-KFWWJZLASA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428268797 383439538 /nfs/dbraw/zinc/43/95/38/383439538.db2.gz NJWFGRWQRVPKFX-KFWWJZLASA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CCC#N)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000428268797 383439540 /nfs/dbraw/zinc/43/95/40/383439540.db2.gz NJWFGRWQRVPKFX-KFWWJZLASA-N 1 3 263.429 2.921 20 30 CFEDHO C=CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697793 383779340 /nfs/dbraw/zinc/77/93/40/383779340.db2.gz ZEMDNRSUJAUPBY-CQSZACIVSA-N 1 3 262.422 2.878 20 30 CFEDHO C[N@H+](CCCCNCc1ccc(C#N)cc1F)C1CC1 ZINC000453592245 383863676 /nfs/dbraw/zinc/86/36/76/383863676.db2.gz DNIHILBPRLILHV-UHFFFAOYSA-N 1 3 275.371 2.661 20 30 CFEDHO C[N@@H+](CCCCNCc1ccc(C#N)cc1F)C1CC1 ZINC000453592245 383863686 /nfs/dbraw/zinc/86/36/86/383863686.db2.gz DNIHILBPRLILHV-UHFFFAOYSA-N 1 3 275.371 2.661 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000289231439 197270251 /nfs/dbraw/zinc/27/02/51/197270251.db2.gz KFSBKEVOZYYROR-QZTJIDSGSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000289231439 197270252 /nfs/dbraw/zinc/27/02/52/197270252.db2.gz KFSBKEVOZYYROR-QZTJIDSGSA-N 1 3 268.404 2.584 20 30 CFEDHO C[C@H]1C[C@@H](NCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000273148206 385671468 /nfs/dbraw/zinc/67/14/68/385671468.db2.gz GYOBVIXZNSEBQO-RDJZCZTQSA-N 1 3 271.408 2.933 20 30 CFEDHO C[C@H]1C[C@@H](NCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000273148206 385671475 /nfs/dbraw/zinc/67/14/75/385671475.db2.gz GYOBVIXZNSEBQO-RDJZCZTQSA-N 1 3 271.408 2.933 20 30 CFEDHO CC(C#N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000347101202 533328867 /nfs/dbraw/zinc/32/88/67/533328867.db2.gz GWIKPWGFKBHFIB-LSDHHAIUSA-N 1 3 299.418 2.926 20 30 CFEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000373864314 393476202 /nfs/dbraw/zinc/47/62/02/393476202.db2.gz CHUFOQZIDYECBX-CRAIPNDOSA-N 1 3 292.467 2.964 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085124 393816884 /nfs/dbraw/zinc/81/68/84/393816884.db2.gz PCQVNNMOWNMTRX-XUWVNRHRSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339085124 393816887 /nfs/dbraw/zinc/81/68/87/393816887.db2.gz PCQVNNMOWNMTRX-XUWVNRHRSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000339085124 393816890 /nfs/dbraw/zinc/81/68/90/393816890.db2.gz PCQVNNMOWNMTRX-XUWVNRHRSA-N 1 3 275.440 2.921 20 30 CFEDHO CN(CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCC1 ZINC000262325237 393954436 /nfs/dbraw/zinc/95/44/36/393954436.db2.gz WWANQEALCBKMFG-UHFFFAOYSA-N 1 3 296.365 2.566 20 30 CFEDHO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371179958 394298761 /nfs/dbraw/zinc/29/87/61/394298761.db2.gz ZQBPJWWLXZZETE-DLBZAZTESA-N 1 3 280.456 2.511 20 30 CFEDHO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CN2CCCCC2)C1 ZINC000371179958 394298764 /nfs/dbraw/zinc/29/87/64/394298764.db2.gz ZQBPJWWLXZZETE-DLBZAZTESA-N 1 3 280.456 2.511 20 30 CFEDHO C[NH+]1CCC2(CCCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000376001299 157314274 /nfs/dbraw/zinc/31/42/74/157314274.db2.gz UHMHAWQXJOKZHB-UHFFFAOYSA-N 1 3 283.419 2.866 20 30 CFEDHO CSC1(CNCc2ccc(C#N)s2)CC[NH+](C)CC1 ZINC000353226838 163322184 /nfs/dbraw/zinc/32/21/84/163322184.db2.gz OLTKNFAGRMCCHJ-UHFFFAOYSA-N 1 3 295.477 2.537 20 30 CFEDHO CSC1(C[NH2+]Cc2ccc(C#N)s2)CCN(C)CC1 ZINC000353226838 163322186 /nfs/dbraw/zinc/32/21/86/163322186.db2.gz OLTKNFAGRMCCHJ-UHFFFAOYSA-N 1 3 295.477 2.537 20 30 CFEDHO N#CCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285578509 263094231 /nfs/dbraw/zinc/09/42/31/263094231.db2.gz OGHDTEHXQDFGHL-GOSISDBHSA-N 1 3 283.419 2.888 20 30 CFEDHO N#CCCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285578509 263094232 /nfs/dbraw/zinc/09/42/32/263094232.db2.gz OGHDTEHXQDFGHL-GOSISDBHSA-N 1 3 283.419 2.888 20 30 CFEDHO CC(C)N1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000093492175 265181535 /nfs/dbraw/zinc/18/15/35/265181535.db2.gz VOLWATGRFABSKC-UHFFFAOYSA-N 1 3 263.410 2.582 20 30 CFEDHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736650 276353190 /nfs/dbraw/zinc/35/31/90/276353190.db2.gz RPZWCLCJKVKGGM-WBVHZDCISA-N 1 3 299.418 2.517 20 30 CFEDHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736650 276353193 /nfs/dbraw/zinc/35/31/93/276353193.db2.gz RPZWCLCJKVKGGM-WBVHZDCISA-N 1 3 299.418 2.517 20 30 CFEDHO C[C@H](C[NH3+])CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423311461 279290041 /nfs/dbraw/zinc/29/00/41/279290041.db2.gz TYFOUYINVWNWNR-WBMJQRKESA-N 1 3 257.381 2.510 20 30 CFEDHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185760551 329331204 /nfs/dbraw/zinc/33/12/04/329331204.db2.gz GSNQEWZPXAZAIS-HZPDHXFCSA-N 1 3 263.429 2.780 20 30 CFEDHO CC1CC[NH+](CCCN[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185760551 329331206 /nfs/dbraw/zinc/33/12/06/329331206.db2.gz GSNQEWZPXAZAIS-HZPDHXFCSA-N 1 3 263.429 2.780 20 30 CFEDHO N#C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000583815918 329482444 /nfs/dbraw/zinc/48/24/44/329482444.db2.gz FEPVXVMYKPRKPB-JKSUJKDBSA-N 1 3 284.407 2.580 20 30 CFEDHO N#CCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000580432012 330131629 /nfs/dbraw/zinc/13/16/29/330131629.db2.gz KKCKLLYSHZANII-HOTGVXAUSA-N 1 3 257.381 2.502 20 30 CFEDHO N#CC[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423153176 330173023 /nfs/dbraw/zinc/17/30/23/330173023.db2.gz GHFGGAOSLZESPQ-RKLWJJNISA-N 1 3 255.365 2.803 20 30 CFEDHO C=C(CC)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167540 330174195 /nfs/dbraw/zinc/17/41/95/330174195.db2.gz XBKVJTUHRAZOON-DOTOQJQBSA-N 1 3 272.392 2.798 20 30 CFEDHO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423504384 330208392 /nfs/dbraw/zinc/20/83/92/330208392.db2.gz GFWJCGWQAVEICI-HDEZJCGLSA-N 1 3 258.409 2.932 20 30 CFEDHO CCC[N@H+](C)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000081516602 334193755 /nfs/dbraw/zinc/19/37/55/334193755.db2.gz XEXBDUPNHWAIJS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCC[N@@H+](C)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000081516602 334193756 /nfs/dbraw/zinc/19/37/56/334193756.db2.gz XEXBDUPNHWAIJS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000081516602 334193757 /nfs/dbraw/zinc/19/37/57/334193757.db2.gz XEXBDUPNHWAIJS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000081516602 334193758 /nfs/dbraw/zinc/19/37/58/334193758.db2.gz XEXBDUPNHWAIJS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO C[C@@H](C[NH3+])CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423311458 533772496 /nfs/dbraw/zinc/77/24/96/533772496.db2.gz TYFOUYINVWNWNR-BLLLJJGKSA-N 1 3 257.381 2.510 20 30 CFEDHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1C#N ZINC000336205761 524752729 /nfs/dbraw/zinc/75/27/29/524752729.db2.gz IHGRAEGCRBLMEY-ALOPSCKCSA-N 1 3 269.392 2.582 20 30 CFEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443959900 535525950 /nfs/dbraw/zinc/52/59/50/535525950.db2.gz FNAUDOXZYMLBFU-INIZCTEOSA-N 1 3 271.408 2.688 20 30 CFEDHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533690 618027031 /nfs/dbraw/zinc/02/70/31/618027031.db2.gz LMQAHHYKRSLIOP-LSDHHAIUSA-N 1 3 287.407 2.581 20 30 CFEDHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533690 618027035 /nfs/dbraw/zinc/02/70/35/618027035.db2.gz LMQAHHYKRSLIOP-LSDHHAIUSA-N 1 3 287.407 2.581 20 30 CFEDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(C#N)c2)C1 ZINC000925608164 618300826 /nfs/dbraw/zinc/30/08/26/618300826.db2.gz ZVMZIGBEVOXDIB-HUUCEWRRSA-N 1 3 257.381 2.554 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000926961460 620432363 /nfs/dbraw/zinc/43/23/63/620432363.db2.gz JJGFDAXYQJQYQZ-KSZLIROESA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000926961460 620432366 /nfs/dbraw/zinc/43/23/66/620432366.db2.gz JJGFDAXYQJQYQZ-KSZLIROESA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1C#N ZINC000926961460 620432368 /nfs/dbraw/zinc/43/23/68/620432368.db2.gz JJGFDAXYQJQYQZ-KSZLIROESA-N 1 3 283.419 2.829 20 30 CFEDHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797444 621180125 /nfs/dbraw/zinc/18/01/25/621180125.db2.gz WDIUZJLVBQPHQU-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000902797444 621180126 /nfs/dbraw/zinc/18/01/26/621180126.db2.gz WDIUZJLVBQPHQU-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cc(C#N)ccn1 ZINC000903059945 621237292 /nfs/dbraw/zinc/23/72/92/621237292.db2.gz XSVJTKAZJWBAFC-CQSZACIVSA-N 1 3 298.434 2.726 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCNCCC1(C)C ZINC000903476182 621390728 /nfs/dbraw/zinc/39/07/28/621390728.db2.gz PGIYQEYHXDQLCR-UHFFFAOYSA-N 1 3 271.408 2.749 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCNCCC1(C)C ZINC000903476182 621390730 /nfs/dbraw/zinc/39/07/30/621390730.db2.gz PGIYQEYHXDQLCR-UHFFFAOYSA-N 1 3 271.408 2.749 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCNCCC12CCC2 ZINC000903482319 621392484 /nfs/dbraw/zinc/39/24/84/621392484.db2.gz BNLBIHRZTUQCIA-UHFFFAOYSA-N 1 3 283.419 2.893 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCNCCC12CCC2 ZINC000903482319 621392486 /nfs/dbraw/zinc/39/24/86/621392486.db2.gz BNLBIHRZTUQCIA-UHFFFAOYSA-N 1 3 283.419 2.893 20 30 CFEDHO CC[C@@H]1CN(CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903746349 621431697 /nfs/dbraw/zinc/43/16/97/621431697.db2.gz GCEQEUMGIMFQSO-HUUCEWRRSA-N 1 3 263.429 2.910 20 30 CFEDHO C=CCOc1cccc(C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903955307 621490264 /nfs/dbraw/zinc/49/02/64/621490264.db2.gz OUWBTPYMJGFPIJ-CQSZACIVSA-N 1 3 296.361 2.586 20 30 CFEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000824988975 623600441 /nfs/dbraw/zinc/60/04/41/623600441.db2.gz WFRZTWOXHZGLPT-LNRIEFBSSA-N 1 3 299.418 2.692 20 30 CFEDHO C#CC[C@H]1CCCN(CCC[N@@H+]2CCC[C@H](CC#C)C2)C1 ZINC000829809464 624549897 /nfs/dbraw/zinc/54/98/97/624549897.db2.gz BLANQOIHXFYIHJ-OALUTQOASA-N 1 3 286.463 2.847 20 30 CFEDHO C#CC[C@H]1CCCN(CCC[N@H+]2CCC[C@H](CC#C)C2)C1 ZINC000829809464 624549901 /nfs/dbraw/zinc/54/99/01/624549901.db2.gz BLANQOIHXFYIHJ-OALUTQOASA-N 1 3 286.463 2.847 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@@H](C)N(C)C ZINC000922255846 626252981 /nfs/dbraw/zinc/25/29/81/626252981.db2.gz XYDSRXDOZUUFTL-CQSZACIVSA-N 1 3 259.397 2.605 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000922283603 626259910 /nfs/dbraw/zinc/25/99/10/626259910.db2.gz FHJKMPJXWIICDD-MRXNPFEDSA-N 1 3 285.435 2.997 20 30 CFEDHO C#CCN(Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000788476000 629073160 /nfs/dbraw/zinc/07/31/60/629073160.db2.gz LGNOHFXLQKNLJL-UHFFFAOYSA-N 1 3 274.383 2.603 20 30 CFEDHO C#CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000816642435 632500118 /nfs/dbraw/zinc/50/01/18/632500118.db2.gz ZKHKSTQXTZWBGW-IBGZPJMESA-N 1 3 298.430 2.616 20 30 CFEDHO C#CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000816642435 632500120 /nfs/dbraw/zinc/50/01/20/632500120.db2.gz ZKHKSTQXTZWBGW-IBGZPJMESA-N 1 3 298.430 2.616 20 30 CFEDHO C#CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000816642436 632500818 /nfs/dbraw/zinc/50/08/18/632500818.db2.gz ZKHKSTQXTZWBGW-LJQANCHMSA-N 1 3 298.430 2.616 20 30 CFEDHO C#CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000816642436 632500819 /nfs/dbraw/zinc/50/08/19/632500819.db2.gz ZKHKSTQXTZWBGW-LJQANCHMSA-N 1 3 298.430 2.616 20 30 CFEDHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OCC#N)cc1 ZINC000818615050 632880371 /nfs/dbraw/zinc/88/03/71/632880371.db2.gz LCYCTFBEEVHACJ-APHBMKBZSA-N 1 3 273.380 2.509 20 30 CFEDHO CCCCCCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849056569 633481752 /nfs/dbraw/zinc/48/17/52/633481752.db2.gz QXGAZVQWPSGOMY-HNNXBMFYSA-N 1 3 282.476 2.945 20 30 CFEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000873276529 642115035 /nfs/dbraw/zinc/11/50/35/642115035.db2.gz UVGRBQDVWGVPGH-CCKFTAQKSA-N 1 3 297.446 2.926 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCCO1 ZINC000883239086 645686918 /nfs/dbraw/zinc/68/69/18/645686918.db2.gz VWPDAMBKYHTUGR-IXDOHACOSA-N 1 3 280.456 2.822 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000883390151 645788586 /nfs/dbraw/zinc/78/85/86/645788586.db2.gz GRCLQZDFRXUKOM-CGTJXYLNSA-N 1 3 294.483 2.946 20 30 CFEDHO N#Cc1ccc(CCN2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886874078 647165167 /nfs/dbraw/zinc/16/51/67/647165167.db2.gz FYSHQUYQAQKSKG-SFHVURJKSA-N 1 3 283.419 2.566 20 30 CFEDHO C#CCCCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136197 647225299 /nfs/dbraw/zinc/22/52/99/647225299.db2.gz MKOZFZMNFXLJAH-MRXNPFEDSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887136197 647225302 /nfs/dbraw/zinc/22/53/02/647225302.db2.gz MKOZFZMNFXLJAH-MRXNPFEDSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887136197 647225306 /nfs/dbraw/zinc/22/53/06/647225306.db2.gz MKOZFZMNFXLJAH-MRXNPFEDSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925529325 648202086 /nfs/dbraw/zinc/20/20/86/648202086.db2.gz XWGWKDBFTKBNRW-UHFFFAOYSA-N 1 3 250.430 2.890 20 30 CFEDHO C=C(C)COCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925533242 648204814 /nfs/dbraw/zinc/20/48/14/648204814.db2.gz ZNTVQYARHLTQGA-UHFFFAOYSA-N 1 3 268.445 2.679 20 30 CFEDHO C=CCC(C)(C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925678730 648276668 /nfs/dbraw/zinc/27/66/68/648276668.db2.gz WZLDSEZQQOWFLV-RDBSUJKOSA-N 1 3 250.430 2.955 20 30 CFEDHO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1c1ccncc1 ZINC000931684783 649471579 /nfs/dbraw/zinc/47/15/79/649471579.db2.gz VEQOTLNBZAZIEM-KLAILNCOSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1c1ccncc1 ZINC000931684783 649471583 /nfs/dbraw/zinc/47/15/83/649471583.db2.gz VEQOTLNBZAZIEM-KLAILNCOSA-N 1 3 298.434 2.922 20 30 CFEDHO CC[NH+](CC)CCC[C@@H](C)N1CC[C@](C)(C#N)C1 ZINC001167835575 776584590 /nfs/dbraw/zinc/58/45/90/776584590.db2.gz RJADPCJCCYUVRR-HUUCEWRRSA-N 1 3 251.418 2.732 20 30 CFEDHO CC[NH+](CC)CCC[C@H](C)N1CC[C@](C)(C#N)C1 ZINC001167835577 776585014 /nfs/dbraw/zinc/58/50/14/776585014.db2.gz RJADPCJCCYUVRR-LSDHHAIUSA-N 1 3 251.418 2.732 20 30 CFEDHO N#Cc1cccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232254 778424192 /nfs/dbraw/zinc/42/41/92/778424192.db2.gz WWROWTVNECGVQR-GOSISDBHSA-N 1 3 283.419 2.912 20 30 CFEDHO CN1CCC=C(c2ccccc2C2(C#N)CC[NH2+]CC2)C1 ZINC001241572408 780989587 /nfs/dbraw/zinc/98/95/87/780989587.db2.gz ZWNUVUTYTIKOSK-UHFFFAOYSA-N 1 3 281.403 2.550 20 30 CFEDHO N#Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000594584544 349451438 /nfs/dbraw/zinc/45/14/38/349451438.db2.gz UWNRTLDLVICFDZ-STQMWFEESA-N 1 3 263.772 2.571 20 30 CFEDHO N#CC1(c2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000594914779 349503760 /nfs/dbraw/zinc/50/37/60/349503760.db2.gz LDPYRIODTMOSPN-MRXNPFEDSA-N 1 3 295.430 2.816 20 30 CFEDHO C=CCCSCCNC1CC[NH+](CC2CC2)CC1 ZINC000595060167 349570237 /nfs/dbraw/zinc/57/02/37/349570237.db2.gz TUMBKQHHGGHZHO-UHFFFAOYSA-N 1 3 268.470 2.760 20 30 CFEDHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595346839 349607910 /nfs/dbraw/zinc/60/79/10/349607910.db2.gz MGYLJZRVSAFPIR-QAPCUYQASA-N 1 3 285.435 2.905 20 30 CFEDHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595346839 349607911 /nfs/dbraw/zinc/60/79/11/349607911.db2.gz MGYLJZRVSAFPIR-QAPCUYQASA-N 1 3 285.435 2.905 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595504450 349644186 /nfs/dbraw/zinc/64/41/86/349644186.db2.gz JOHDUUSCNUTYKU-GOSISDBHSA-N 1 3 283.419 2.784 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595504450 349644187 /nfs/dbraw/zinc/64/41/87/349644187.db2.gz JOHDUUSCNUTYKU-GOSISDBHSA-N 1 3 283.419 2.784 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000295118443 199353986 /nfs/dbraw/zinc/35/39/86/199353986.db2.gz WZIHTORJDWTLQI-AYHJJNSGSA-N 1 3 298.430 2.804 20 30 CFEDHO C=CCCC[C@@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000091578149 347592940 /nfs/dbraw/zinc/59/29/40/347592940.db2.gz YVYNFFDMPUFLAF-OAHLLOKOSA-N 1 3 268.445 2.510 20 30 CFEDHO C=CCCC[C@@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000091578149 347592942 /nfs/dbraw/zinc/59/29/42/347592942.db2.gz YVYNFFDMPUFLAF-OAHLLOKOSA-N 1 3 268.445 2.510 20 30 CFEDHO C=CCCC[C@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559204 347592959 /nfs/dbraw/zinc/59/29/59/347592959.db2.gz KOBJOYIIVCTJAB-ROUUACIJSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCC[C@H](C)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091559204 347592961 /nfs/dbraw/zinc/59/29/61/347592961.db2.gz KOBJOYIIVCTJAB-ROUUACIJSA-N 1 3 293.499 2.833 20 30 CFEDHO N#Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000590962116 348972670 /nfs/dbraw/zinc/97/26/70/348972670.db2.gz FNOYGJXJOOHHCM-GOSISDBHSA-N 1 3 281.403 2.762 20 30 CFEDHO N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000591573340 349031122 /nfs/dbraw/zinc/03/11/22/349031122.db2.gz NGCDSIBCAMPHOT-UKRRQHHQSA-N 1 3 277.799 2.819 20 30 CFEDHO C[NH+]1CCC2(CC1)CN(CCCCC(C)(C)C#N)CCO2 ZINC000592185253 349096615 /nfs/dbraw/zinc/09/66/15/349096615.db2.gz WJTZCHOMMBSNHL-UHFFFAOYSA-N 1 3 293.455 2.503 20 30 CFEDHO N#Cc1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000598679298 350309444 /nfs/dbraw/zinc/30/94/44/350309444.db2.gz FJCCCHCNKZPIPY-SJLPKXTDSA-N 1 3 283.419 2.770 20 30 CFEDHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068688 350369742 /nfs/dbraw/zinc/36/97/42/350369742.db2.gz CGVOCBMDJWFANB-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO Cc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1C#N ZINC000600712297 350600033 /nfs/dbraw/zinc/60/00/33/350600033.db2.gz WQWCCYGVHQGOAL-KRWDZBQOSA-N 1 3 283.419 2.688 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000602477582 350898927 /nfs/dbraw/zinc/89/89/27/350898927.db2.gz TUIWZCZNTPQZPQ-CVEARBPZSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000602477582 350898928 /nfs/dbraw/zinc/89/89/28/350898928.db2.gz TUIWZCZNTPQZPQ-CVEARBPZSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H](CCC#N)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602477582 350898929 /nfs/dbraw/zinc/89/89/29/350898929.db2.gz TUIWZCZNTPQZPQ-CVEARBPZSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)CN1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602509889 350909777 /nfs/dbraw/zinc/90/97/77/350909777.db2.gz HIKISENPVUKQBA-CQSZACIVSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[NH+]1CCCCC1 ZINC000602510219 350910142 /nfs/dbraw/zinc/91/01/42/350910142.db2.gz FGBYYPJAARJQDQ-INIZCTEOSA-N 1 3 293.455 2.551 20 30 CFEDHO Cc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1C#N ZINC000602878040 351056118 /nfs/dbraw/zinc/05/61/18/351056118.db2.gz OXBYLBUHLLTCAV-UHFFFAOYSA-N 1 3 283.419 2.784 20 30 CFEDHO N#CCCCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000612192052 351787020 /nfs/dbraw/zinc/78/70/20/351787020.db2.gz QIYUDFYPXGWWLF-UHFFFAOYSA-N 1 3 287.407 2.555 20 30 CFEDHO CC#CCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000155869997 188233064 /nfs/dbraw/zinc/23/30/64/188233064.db2.gz XMBWERXUUQRZSS-GOSISDBHSA-N 1 3 270.420 2.854 20 30 CFEDHO CC#CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000155869997 188233065 /nfs/dbraw/zinc/23/30/65/188233065.db2.gz XMBWERXUUQRZSS-GOSISDBHSA-N 1 3 270.420 2.854 20 30 CFEDHO C=C(C)C[NH+]1CCC(NCc2ccc3c(c2)ncn3C)CC1 ZINC000271727397 191293987 /nfs/dbraw/zinc/29/39/87/191293987.db2.gz XWIZWRSXBBTATN-UHFFFAOYSA-N 1 3 298.434 2.703 20 30 CFEDHO C=CC[C@H]1CC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000629551425 354844844 /nfs/dbraw/zinc/84/48/44/354844844.db2.gz VOSUFMGULVUGKS-AWEZNQCLSA-N 1 3 256.393 2.730 20 30 CFEDHO C=CC[C@H]1CC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000629551425 354844845 /nfs/dbraw/zinc/84/48/45/354844845.db2.gz VOSUFMGULVUGKS-AWEZNQCLSA-N 1 3 256.393 2.730 20 30 CFEDHO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422988434 283215147 /nfs/dbraw/zinc/21/51/47/283215147.db2.gz KLJPUEDCRBADQP-GOEBONIOSA-N 1 3 289.448 2.508 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414907568 540830284 /nfs/dbraw/zinc/83/02/84/540830284.db2.gz AORWJDIPTNNUTN-GJZGRUSLSA-N 1 3 290.407 2.620 20 30 CFEDHO C=C(C)CNC(=[NH2+])NCc1ccccc1CN(CC)CC ZINC000264153295 383701062 /nfs/dbraw/zinc/70/10/62/383701062.db2.gz ZTEJCSBOGJONNS-UHFFFAOYSA-N 1 3 288.439 2.509 20 30 CFEDHO CC#CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821176 375160189 /nfs/dbraw/zinc/16/01/89/375160189.db2.gz BTQRWAHEXBXMGW-UHFFFAOYSA-N 1 3 271.408 2.643 20 30 CFEDHO CC#CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821176 375160198 /nfs/dbraw/zinc/16/01/98/375160198.db2.gz BTQRWAHEXBXMGW-UHFFFAOYSA-N 1 3 271.408 2.643 20 30 CFEDHO CC[NH+](CC)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093693997 375299372 /nfs/dbraw/zinc/29/93/72/375299372.db2.gz DOFZODBOOOKMAS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093693997 375299378 /nfs/dbraw/zinc/29/93/78/375299378.db2.gz DOFZODBOOOKMAS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093693997 375299382 /nfs/dbraw/zinc/29/93/82/375299382.db2.gz DOFZODBOOOKMAS-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCC[N@H+](C)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093753260 375305248 /nfs/dbraw/zinc/30/52/48/375305248.db2.gz RSZKLVBOXKUOBC-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093753260 375305254 /nfs/dbraw/zinc/30/52/54/375305254.db2.gz RSZKLVBOXKUOBC-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093753260 375305261 /nfs/dbraw/zinc/30/52/61/375305261.db2.gz RSZKLVBOXKUOBC-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093753260 375305266 /nfs/dbraw/zinc/30/52/66/375305266.db2.gz RSZKLVBOXKUOBC-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174273111 379855833 /nfs/dbraw/zinc/85/58/33/379855833.db2.gz OJSZOTPTZFQBLX-GASCZTMLSA-N 1 3 289.423 2.999 20 30 CFEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174273111 379855839 /nfs/dbraw/zinc/85/58/39/379855839.db2.gz OJSZOTPTZFQBLX-GASCZTMLSA-N 1 3 289.423 2.999 20 30 CFEDHO C#C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000289630488 381076463 /nfs/dbraw/zinc/07/64/63/381076463.db2.gz WVLOEQKQYQOSQQ-XOYOTBSWSA-N 1 3 268.404 2.508 20 30 CFEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000290067263 381284078 /nfs/dbraw/zinc/28/40/78/381284078.db2.gz PUBLLAPMJHFLTL-CRAIPNDOSA-N 1 3 270.420 2.830 20 30 CFEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000290067263 381284086 /nfs/dbraw/zinc/28/40/86/381284086.db2.gz PUBLLAPMJHFLTL-CRAIPNDOSA-N 1 3 270.420 2.830 20 30 CFEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000342719579 381498135 /nfs/dbraw/zinc/49/81/35/381498135.db2.gz GKUJGJHUTNAXCK-QAPCUYQASA-N 1 3 285.435 2.915 20 30 CFEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000342719579 381498143 /nfs/dbraw/zinc/49/81/43/381498143.db2.gz GKUJGJHUTNAXCK-QAPCUYQASA-N 1 3 285.435 2.915 20 30 CFEDHO C=C(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352015064 382129279 /nfs/dbraw/zinc/12/92/79/382129279.db2.gz OZNCDXUIZQSPEB-IYBDPMFKSA-N 1 3 280.456 2.774 20 30 CFEDHO CC(C)[N@H+](C)CC1CCN([C@H](C)CCC#N)CC1 ZINC000574778908 335047061 /nfs/dbraw/zinc/04/70/61/335047061.db2.gz VHJQOZUQVANAFI-CQSZACIVSA-N 1 3 251.418 2.731 20 30 CFEDHO CC(C)[N@@H+](C)CC1CCN([C@H](C)CCC#N)CC1 ZINC000574778908 335047063 /nfs/dbraw/zinc/04/70/63/335047063.db2.gz VHJQOZUQVANAFI-CQSZACIVSA-N 1 3 251.418 2.731 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000189086859 382539315 /nfs/dbraw/zinc/53/93/15/382539315.db2.gz KBNWOZUEBRWMPR-GDBMZVCRSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000189086859 382539320 /nfs/dbraw/zinc/53/93/20/382539320.db2.gz KBNWOZUEBRWMPR-GDBMZVCRSA-N 1 3 271.408 2.893 20 30 CFEDHO C=CCSCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000231933080 382867793 /nfs/dbraw/zinc/86/77/93/382867793.db2.gz KAGSDFBDRIEJAC-UHFFFAOYSA-N 1 3 277.437 2.559 20 30 CFEDHO C[N@H+](CCCN[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442635617 382940086 /nfs/dbraw/zinc/94/00/86/382940086.db2.gz KCSPZMSUFRVBED-SJORKVTESA-N 1 3 271.408 2.790 20 30 CFEDHO C[N@@H+](CCCN[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442635617 382940088 /nfs/dbraw/zinc/94/00/88/382940088.db2.gz KCSPZMSUFRVBED-SJORKVTESA-N 1 3 271.408 2.790 20 30 CFEDHO CC#CCN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000537847240 382958346 /nfs/dbraw/zinc/95/83/46/382958346.db2.gz ONBFSYPAZGZHGX-UHFFFAOYSA-N 1 3 262.441 2.844 20 30 CFEDHO CC#CCN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000537847240 382958352 /nfs/dbraw/zinc/95/83/52/382958352.db2.gz ONBFSYPAZGZHGX-UHFFFAOYSA-N 1 3 262.441 2.844 20 30 CFEDHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423455801 383101634 /nfs/dbraw/zinc/10/16/34/383101634.db2.gz CXLXDTGHUHJFRG-MKBNYLNASA-N 1 3 257.381 2.651 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911409 383307499 /nfs/dbraw/zinc/30/74/99/383307499.db2.gz VKOJDEXGOMKSAE-BZUAXINKSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911409 383307502 /nfs/dbraw/zinc/30/75/02/383307502.db2.gz VKOJDEXGOMKSAE-BZUAXINKSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911409 383307508 /nfs/dbraw/zinc/30/75/08/383307508.db2.gz VKOJDEXGOMKSAE-BZUAXINKSA-N 1 3 263.429 2.779 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449702305 383362368 /nfs/dbraw/zinc/36/23/68/383362368.db2.gz YLMABTYACBBHEB-KBAYOESNSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449702305 383362371 /nfs/dbraw/zinc/36/23/71/383362371.db2.gz YLMABTYACBBHEB-KBAYOESNSA-N 1 3 294.483 2.946 20 30 CFEDHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc(C#N)cc1 ZINC000278351031 384536349 /nfs/dbraw/zinc/53/63/49/384536349.db2.gz ZBYISKSJNNXEMK-KRWDZBQOSA-N 1 3 289.423 2.567 20 30 CFEDHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc(C#N)cc1 ZINC000278351031 384536358 /nfs/dbraw/zinc/53/63/58/384536358.db2.gz ZBYISKSJNNXEMK-KRWDZBQOSA-N 1 3 289.423 2.567 20 30 CFEDHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000336820650 262397739 /nfs/dbraw/zinc/39/77/39/262397739.db2.gz DVIXEOSEAKQQHQ-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000336820650 262397742 /nfs/dbraw/zinc/39/77/42/262397742.db2.gz DVIXEOSEAKQQHQ-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000037197233 393528977 /nfs/dbraw/zinc/52/89/77/393528977.db2.gz VKWPJOHTUCBZET-ZDUSSCGKSA-N 1 3 259.397 2.797 20 30 CFEDHO CC[NH+](CC)CCOC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339009492 393809699 /nfs/dbraw/zinc/80/96/99/393809699.db2.gz KEFQTYXLDQHVLL-CVEARBPZSA-N 1 3 293.455 2.501 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085125 393816652 /nfs/dbraw/zinc/81/66/52/393816652.db2.gz PCQVNNMOWNMTRX-YHUYYLMFSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339085125 393816655 /nfs/dbraw/zinc/81/66/55/393816655.db2.gz PCQVNNMOWNMTRX-YHUYYLMFSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000339085125 393816658 /nfs/dbraw/zinc/81/66/58/393816658.db2.gz PCQVNNMOWNMTRX-YHUYYLMFSA-N 1 3 275.440 2.921 20 30 CFEDHO C=CCOCCN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000339095039 393817636 /nfs/dbraw/zinc/81/76/36/393817636.db2.gz FBTUODBEQSHCPV-JKSUJKDBSA-N 1 3 268.445 2.679 20 30 CFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000339095039 393817643 /nfs/dbraw/zinc/81/76/43/393817643.db2.gz FBTUODBEQSHCPV-JKSUJKDBSA-N 1 3 268.445 2.679 20 30 CFEDHO CC[NH+](CC)CCOC1CCN(CCC(C)(C)C#N)CC1 ZINC000345713979 393914064 /nfs/dbraw/zinc/91/40/64/393914064.db2.gz PZHXMOQVLDELNB-UHFFFAOYSA-N 1 3 295.471 2.749 20 30 CFEDHO C[N@H+](CCC(C)(C)C#N)C1CCN(C2CCOCC2)CC1 ZINC000363478353 394196323 /nfs/dbraw/zinc/19/63/23/394196323.db2.gz KERVOKHAAZXUQO-UHFFFAOYSA-N 1 3 293.455 2.501 20 30 CFEDHO C[N@@H+](CCC(C)(C)C#N)C1CCN(C2CCOCC2)CC1 ZINC000363478353 394196328 /nfs/dbraw/zinc/19/63/28/394196328.db2.gz KERVOKHAAZXUQO-UHFFFAOYSA-N 1 3 293.455 2.501 20 30 CFEDHO C=CCN1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647867429 395447478 /nfs/dbraw/zinc/44/74/78/395447478.db2.gz IQOROMUXFBNWEX-UHFFFAOYSA-N 1 3 256.353 2.625 20 30 CFEDHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(C#N)cs1 ZINC000352838062 163247076 /nfs/dbraw/zinc/24/70/76/163247076.db2.gz DMCWUMANEXCMSU-GFCCVEGCSA-N 1 3 280.441 2.615 20 30 CFEDHO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533078 175196308 /nfs/dbraw/zinc/19/63/08/175196308.db2.gz DTPGIKALSFZCLU-HNNXBMFYSA-N 1 3 274.408 2.683 20 30 CFEDHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535000 175198427 /nfs/dbraw/zinc/19/84/27/175198427.db2.gz TZCCZCSSZDAOHU-HIFRSBDPSA-N 1 3 257.381 2.551 20 30 CFEDHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535000 175198428 /nfs/dbraw/zinc/19/84/28/175198428.db2.gz TZCCZCSSZDAOHU-HIFRSBDPSA-N 1 3 257.381 2.551 20 30 CFEDHO CCN1CC[C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037196 260207057 /nfs/dbraw/zinc/20/70/57/260207057.db2.gz HLKXXOWFZMMFIB-ZLPCBKJTSA-N 1 3 283.419 2.542 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174879668 261200840 /nfs/dbraw/zinc/20/08/40/261200840.db2.gz ZIPQOJJRCNASPJ-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174879668 261200842 /nfs/dbraw/zinc/20/08/42/261200842.db2.gz ZIPQOJJRCNASPJ-OAHLLOKOSA-N 1 3 265.445 2.980 20 30 CFEDHO C[C@H](CNC(=[NH2+])Nc1ccccc1)N1CCC[C@@H](C)C1 ZINC000264115599 262874594 /nfs/dbraw/zinc/87/45/94/262874594.db2.gz SNJZMDUWOZRBIN-ZIAGYGMSSA-N 1 3 274.412 2.534 20 30 CFEDHO C=CCOc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414814646 263053736 /nfs/dbraw/zinc/05/37/36/263053736.db2.gz ZNDLXPSDPMGUBV-RDJZCZTQSA-N 1 3 274.408 2.859 20 30 CFEDHO N#Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000194062712 268072476 /nfs/dbraw/zinc/07/24/76/268072476.db2.gz HHSNRJCMTQRJCJ-UHFFFAOYSA-N 1 3 269.392 2.522 20 30 CFEDHO C=C(C)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000352015060 275415870 /nfs/dbraw/zinc/41/58/70/275415870.db2.gz OZNCDXUIZQSPEB-HOTGVXAUSA-N 1 3 280.456 2.774 20 30 CFEDHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423389298 297109774 /nfs/dbraw/zinc/10/97/74/297109774.db2.gz JHAWCMHCXBTZCD-FSPWUOQZSA-N 1 3 283.419 2.913 20 30 CFEDHO C=CCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000568950662 327025388 /nfs/dbraw/zinc/02/53/88/327025388.db2.gz AVIHDHRFPDFAIY-HRCADAONSA-N 1 3 266.429 2.526 20 30 CFEDHO N#CCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000580432013 330131610 /nfs/dbraw/zinc/13/16/10/330131610.db2.gz KKCKLLYSHZANII-HZPDHXFCSA-N 1 3 257.381 2.502 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423096615 330169728 /nfs/dbraw/zinc/16/97/28/330169728.db2.gz PPTXYISWOAZADB-ILOCAZANSA-N 1 3 292.467 2.868 20 30 CFEDHO C=C(CC)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167543 330174125 /nfs/dbraw/zinc/17/41/25/330174125.db2.gz XBKVJTUHRAZOON-WBVHZDCISA-N 1 3 272.392 2.798 20 30 CFEDHO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423504386 330208346 /nfs/dbraw/zinc/20/83/46/330208346.db2.gz GFWJCGWQAVEICI-TXCZRRACSA-N 1 3 258.409 2.932 20 30 CFEDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000335990760 335099279 /nfs/dbraw/zinc/09/92/79/335099279.db2.gz SXKJGKJJPBLELG-ZWKOTPCHSA-N 1 3 283.419 2.669 20 30 CFEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@H]21 ZINC000335990760 335099280 /nfs/dbraw/zinc/09/92/80/335099280.db2.gz SXKJGKJJPBLELG-ZWKOTPCHSA-N 1 3 283.419 2.669 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252892871 334399186 /nfs/dbraw/zinc/39/91/86/334399186.db2.gz OWTZIRJOICMHQQ-RHSMWYFYSA-N 1 3 274.408 2.681 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252892871 334399187 /nfs/dbraw/zinc/39/91/87/334399187.db2.gz OWTZIRJOICMHQQ-RHSMWYFYSA-N 1 3 274.408 2.681 20 30 CFEDHO C=CCOc1ccccc1CNCC1=CC[N@H+](C)CC1 ZINC000345182821 335305590 /nfs/dbraw/zinc/30/55/90/335305590.db2.gz GUAUCVDIQGZNRB-UHFFFAOYSA-N 1 3 272.392 2.603 20 30 CFEDHO C=CCOc1ccccc1CNCC1=CC[N@@H+](C)CC1 ZINC000345182821 335305592 /nfs/dbraw/zinc/30/55/92/335305592.db2.gz GUAUCVDIQGZNRB-UHFFFAOYSA-N 1 3 272.392 2.603 20 30 CFEDHO C=CCOc1ccc(CN2CCC(C[NH2+]C)CC2)cc1 ZINC000347094536 526866079 /nfs/dbraw/zinc/86/60/79/526866079.db2.gz HLDZZIRJMZTBMN-UHFFFAOYSA-N 1 3 274.408 2.683 20 30 CFEDHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533688 618026821 /nfs/dbraw/zinc/02/68/21/618026821.db2.gz LMQAHHYKRSLIOP-CABCVRRESA-N 1 3 287.407 2.581 20 30 CFEDHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533688 618026826 /nfs/dbraw/zinc/02/68/26/618026826.db2.gz LMQAHHYKRSLIOP-CABCVRRESA-N 1 3 287.407 2.581 20 30 CFEDHO COc1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668680 618436194 /nfs/dbraw/zinc/43/61/94/618436194.db2.gz JSXWSOOYYMWPKS-LSDHHAIUSA-N 1 3 287.407 2.562 20 30 CFEDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000925694562 618942014 /nfs/dbraw/zinc/94/20/14/618942014.db2.gz UORFGZRUZVAYGY-ZIAGYGMSSA-N 1 3 275.371 2.693 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925696153 618948077 /nfs/dbraw/zinc/94/80/77/618948077.db2.gz STZDJAGUPNNOLF-LSDHHAIUSA-N 1 3 263.429 2.684 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(CC#N)cc2)C1 ZINC000925706291 618960489 /nfs/dbraw/zinc/96/04/89/618960489.db2.gz NASQVTHOYRSSKE-HOTGVXAUSA-N 1 3 271.408 2.748 20 30 CFEDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(CC#N)cc2)C1 ZINC000925706292 618961039 /nfs/dbraw/zinc/96/10/39/618961039.db2.gz NASQVTHOYRSSKE-HZPDHXFCSA-N 1 3 271.408 2.748 20 30 CFEDHO C[NH+]1CCC([C@@H]2CCN(Cc3csc(C#N)c3)C2)CC1 ZINC000894479880 619397035 /nfs/dbraw/zinc/39/70/35/619397035.db2.gz UOHHWIZDUUWECM-OAHLLOKOSA-N 1 3 289.448 2.783 20 30 CFEDHO C=CC[NH+]1CCC(NCc2cc(C)ccc2NC)CC1 ZINC000902214964 620998517 /nfs/dbraw/zinc/99/85/17/620998517.db2.gz YBLYABZSNRLTOG-UHFFFAOYSA-N 1 3 273.424 2.777 20 30 CFEDHO CC[C@@H]1CN(Cc2c(C)cc(C#N)cc2C)CC[C@H]1[NH3+] ZINC000903449819 621386355 /nfs/dbraw/zinc/38/63/55/621386355.db2.gz HMVJBQBBYONKHM-NVXWUHKLSA-N 1 3 271.408 2.734 20 30 CFEDHO C=CCSCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231933673 623375593 /nfs/dbraw/zinc/37/55/93/623375593.db2.gz YHEMWEBBFTWRAZ-KGLIPLIRSA-N 1 3 256.459 2.806 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000925440371 624356695 /nfs/dbraw/zinc/35/66/95/624356695.db2.gz RBYICRZXOLIBLO-HRCADAONSA-N 1 3 295.471 2.794 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000181101117 625066459 /nfs/dbraw/zinc/06/64/59/625066459.db2.gz WDJMYMCHCLRTSS-NVXWUHKLSA-N 1 3 294.508 2.986 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000181101100 625066504 /nfs/dbraw/zinc/06/65/04/625066504.db2.gz WDJMYMCHCLRTSS-RDJZCZTQSA-N 1 3 294.508 2.986 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000773010575 627768282 /nfs/dbraw/zinc/76/82/82/627768282.db2.gz NSEYFTPVUUFFON-DOTOQJQBSA-N 1 3 294.508 2.986 20 30 CFEDHO C#CCOc1cccc(Cl)c1CNCCCC[NH+](C)C ZINC000778165918 628282249 /nfs/dbraw/zinc/28/22/49/628282249.db2.gz UPEUTEAOJFQAPV-UHFFFAOYSA-N 1 3 294.826 2.783 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000815652504 632306896 /nfs/dbraw/zinc/30/68/96/632306896.db2.gz GCYQZGNLRYTYBG-QGZVFWFLSA-N 1 3 286.419 2.753 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000815652504 632306897 /nfs/dbraw/zinc/30/68/97/632306897.db2.gz GCYQZGNLRYTYBG-QGZVFWFLSA-N 1 3 286.419 2.753 20 30 CFEDHO C#Cc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858174628 636148354 /nfs/dbraw/zinc/14/83/54/636148354.db2.gz VHDIDRFMEQRBFN-MRXNPFEDSA-N 1 3 256.393 2.630 20 30 CFEDHO CCC#C[C@@H](C)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212307 636507698 /nfs/dbraw/zinc/50/76/98/636507698.db2.gz MNMCRDZSIATLCL-OAHLLOKOSA-N 1 3 258.409 2.982 20 30 CFEDHO CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971922 650612893 /nfs/dbraw/zinc/61/28/93/650612893.db2.gz PRLMRWMEBJVAQP-ZFWWWQNUSA-N 1 3 263.429 2.921 20 30 CFEDHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971932 650612994 /nfs/dbraw/zinc/61/29/94/650612994.db2.gz PRLMRWMEBJVAQP-UKRRQHHQSA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000877073752 643136104 /nfs/dbraw/zinc/13/61/04/643136104.db2.gz RPMHCQBJZZIENL-BZUAXINKSA-N 1 3 293.455 2.548 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000877073752 643136106 /nfs/dbraw/zinc/13/61/06/643136106.db2.gz RPMHCQBJZZIENL-BZUAXINKSA-N 1 3 293.455 2.548 20 30 CFEDHO C[NH+](C)C1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877595655 643387498 /nfs/dbraw/zinc/38/74/98/643387498.db2.gz GVAFIQHCTNMIBH-UHFFFAOYSA-N 1 3 292.814 2.569 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3ccccc3C#N)CC2)CC1 ZINC000877684112 643453221 /nfs/dbraw/zinc/45/32/21/643453221.db2.gz GSGDSXSEPUVWPY-UHFFFAOYSA-N 1 3 283.419 2.866 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000303708960 650999319 /nfs/dbraw/zinc/99/93/19/650999319.db2.gz NKVIQZAKGYMXSM-GJZGRUSLSA-N 1 3 282.476 2.590 20 30 CFEDHO CC[C@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)N1CCCC1 ZINC000303877435 651004969 /nfs/dbraw/zinc/00/49/69/651004969.db2.gz FGIBXZCFSFZFLY-MRXNPFEDSA-N 1 3 288.439 2.904 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000303889731 651006689 /nfs/dbraw/zinc/00/66/89/651006689.db2.gz MBPAZRGDDUPXMJ-CABCVRRESA-N 1 3 282.476 2.591 20 30 CFEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CCCO1 ZINC000883195145 645655829 /nfs/dbraw/zinc/65/58/29/645655829.db2.gz LRWZCXLOXVKQNQ-NCOADZHNSA-N 1 3 280.456 2.963 20 30 CFEDHO CC[C@H](CN[C@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924640919 648010933 /nfs/dbraw/zinc/01/09/33/648010933.db2.gz ZXGVVGXCYCVXRY-ZIAGYGMSSA-N 1 3 251.418 2.779 20 30 CFEDHO COc1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668677 648270527 /nfs/dbraw/zinc/27/05/27/648270527.db2.gz JSXWSOOYYMWPKS-CABCVRRESA-N 1 3 287.407 2.562 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925681867 648278673 /nfs/dbraw/zinc/27/86/73/648278673.db2.gz RCMZTUTVSBTYBJ-HJWJTTGWSA-N 1 3 275.440 2.827 20 30 CFEDHO CSc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000925773475 648316912 /nfs/dbraw/zinc/31/69/12/648316912.db2.gz NVNULQLHDDRNSS-HIFRSBDPSA-N 1 3 289.448 2.887 20 30 CFEDHO C=CCCCC[C@@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789691 648323882 /nfs/dbraw/zinc/32/38/82/648323882.db2.gz BATITQJGQBQPKK-HZPDHXFCSA-N 1 3 280.456 2.870 20 30 CFEDHO C[C@H](CNC(=[NH2+])NC1CCCCCC1)N1CCC[C@H](C)C1 ZINC000305747783 651074673 /nfs/dbraw/zinc/07/46/73/651074673.db2.gz TYSWVLBWCTXXIQ-LSDHHAIUSA-N 1 3 294.487 2.734 20 30 CFEDHO C=CCCCCCCCCCN1CCN(CC[NH3+])CC1 ZINC001209976232 770181369 /nfs/dbraw/zinc/18/13/69/770181369.db2.gz KCQPEGOROPGIHD-UHFFFAOYSA-N 1 3 281.488 2.870 20 30 CFEDHO C#CC[N@@H+](C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168062207 777863075 /nfs/dbraw/zinc/86/30/75/777863075.db2.gz JNZGGZZAPKOYON-HOTGVXAUSA-N 1 3 270.420 2.993 20 30 CFEDHO C#CC[N@H+](C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168062207 777863086 /nfs/dbraw/zinc/86/30/86/777863086.db2.gz JNZGGZZAPKOYON-HOTGVXAUSA-N 1 3 270.420 2.993 20 30 CFEDHO C[N@H+](Cc1ccc(C#N)cc1)C1CCN(CC2CC2)CC1 ZINC001168379051 778750102 /nfs/dbraw/zinc/75/01/02/778750102.db2.gz BLEQKWHRBDLSLD-UHFFFAOYSA-N 1 3 283.419 2.864 20 30 CFEDHO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(CC2CC2)CC1 ZINC001168379051 778750105 /nfs/dbraw/zinc/75/01/05/778750105.db2.gz BLEQKWHRBDLSLD-UHFFFAOYSA-N 1 3 283.419 2.864 20 30 CFEDHO N#Cc1cc(-c2cncc3cc[nH]c32)cc(C2C[NH2+]C2)c1 ZINC001240350638 780102169 /nfs/dbraw/zinc/10/21/69/780102169.db2.gz CPORBWOTEGLWGQ-UHFFFAOYSA-N 1 3 274.327 2.788 20 30 CFEDHO C=CCCSCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594959761 349530691 /nfs/dbraw/zinc/53/06/91/349530691.db2.gz CLDWMGUBFQFZIZ-KBPBESRZSA-N 1 3 254.443 2.512 20 30 CFEDHO C=CCCSCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594959761 349530693 /nfs/dbraw/zinc/53/06/93/349530693.db2.gz CLDWMGUBFQFZIZ-KBPBESRZSA-N 1 3 254.443 2.512 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC000595509100 349646883 /nfs/dbraw/zinc/64/68/83/349646883.db2.gz PJIQNUFKSSYOLV-SJLPKXTDSA-N 1 3 283.419 2.933 20 30 CFEDHO CN(C)CCC[N@H+](C)CCNc1cc(Cl)ccc1C#N ZINC000596423794 349899377 /nfs/dbraw/zinc/89/93/77/349899377.db2.gz CBWQSDXCHDIHSX-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO CN(C)CCC[N@@H+](C)CCNc1cc(Cl)ccc1C#N ZINC000596423794 349899381 /nfs/dbraw/zinc/89/93/81/349899381.db2.gz CBWQSDXCHDIHSX-UHFFFAOYSA-N 1 3 294.830 2.507 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000591578388 349031541 /nfs/dbraw/zinc/03/15/41/349031541.db2.gz YPAUMUOCTJDMTH-UXLLHSPISA-N 1 3 269.392 2.795 20 30 CFEDHO C[N@@H+]1C[C@@H](CN[C@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401967 349117061 /nfs/dbraw/zinc/11/70/61/349117061.db2.gz FLSNTYLQBKHCOK-RANZSIQMSA-N 1 3 283.419 2.614 20 30 CFEDHO C[N@H+]1C[C@@H](CN[C@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401967 349117063 /nfs/dbraw/zinc/11/70/63/349117063.db2.gz FLSNTYLQBKHCOK-RANZSIQMSA-N 1 3 283.419 2.614 20 30 CFEDHO C[NH+]1CCC(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493029 349429549 /nfs/dbraw/zinc/42/95/49/349429549.db2.gz DIIZYWBDLDREOU-UHFFFAOYSA-N 1 3 271.408 2.672 20 30 CFEDHO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000598978258 350353460 /nfs/dbraw/zinc/35/34/60/350353460.db2.gz LCYPHOKHYMHLRC-CQSZACIVSA-N 1 3 275.371 2.660 20 30 CFEDHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068686 350369547 /nfs/dbraw/zinc/36/95/47/350369547.db2.gz CGVOCBMDJWFANB-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO C[NH+](C)C1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602021356 350833765 /nfs/dbraw/zinc/83/37/65/350833765.db2.gz SMQHOPLHRSVZIZ-UHFFFAOYSA-N 1 3 275.371 2.660 20 30 CFEDHO C[NH+](C)CCCC(C)(C)NCc1cccc(F)c1C#N ZINC000602026545 350834919 /nfs/dbraw/zinc/83/49/19/350834919.db2.gz YQMZSHGWQPPZGG-UHFFFAOYSA-N 1 3 277.387 2.907 20 30 CFEDHO C[C@H](CCC#N)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000602479135 350900122 /nfs/dbraw/zinc/90/01/22/350900122.db2.gz FVTAIPVPLITWLJ-GDBMZVCRSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000602479135 350900125 /nfs/dbraw/zinc/90/01/25/350900125.db2.gz FVTAIPVPLITWLJ-GDBMZVCRSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000602479135 350900128 /nfs/dbraw/zinc/90/01/28/350900128.db2.gz FVTAIPVPLITWLJ-GDBMZVCRSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000602479135 350900131 /nfs/dbraw/zinc/90/01/31/350900131.db2.gz FVTAIPVPLITWLJ-GDBMZVCRSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[NH+]1CCCCC1 ZINC000602510220 350910589 /nfs/dbraw/zinc/91/05/89/350910589.db2.gz FGBYYPJAARJQDQ-MRXNPFEDSA-N 1 3 293.455 2.551 20 30 CFEDHO C[C@H]1CCC[N@H+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515068 350911081 /nfs/dbraw/zinc/91/10/81/350911081.db2.gz SZJWNTXINHKXTN-HNNXBMFYSA-N 1 3 286.423 2.555 20 30 CFEDHO C[C@H]1CCC[N@@H+](CCCCNCc2cccc(C#N)n2)C1 ZINC000602515068 350911085 /nfs/dbraw/zinc/91/10/85/350911085.db2.gz SZJWNTXINHKXTN-HNNXBMFYSA-N 1 3 286.423 2.555 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000602512434 350911140 /nfs/dbraw/zinc/91/11/40/350911140.db2.gz BEYJXCVFYUJDTK-OAGGEKHMSA-N 1 3 265.445 2.884 20 30 CFEDHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)CCC#N)C1 ZINC000602474288 350895940 /nfs/dbraw/zinc/89/59/40/350895940.db2.gz GHZMVZCOUXOMAA-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602474288 350895945 /nfs/dbraw/zinc/89/59/45/350895945.db2.gz GHZMVZCOUXOMAA-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602474288 350895949 /nfs/dbraw/zinc/89/59/49/350895949.db2.gz GHZMVZCOUXOMAA-GJZGRUSLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCC1(N(C)C)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602738487 351009135 /nfs/dbraw/zinc/00/91/35/351009135.db2.gz KTSPAXLMJHUTEZ-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO CC(C)(C#N)CCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602847304 351043807 /nfs/dbraw/zinc/04/38/07/351043807.db2.gz WBPNARXTLXQENP-UHFFFAOYSA-N 1 3 286.423 2.924 20 30 CFEDHO CC(C)(C#N)CCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602847304 351043810 /nfs/dbraw/zinc/04/38/10/351043810.db2.gz WBPNARXTLXQENP-UHFFFAOYSA-N 1 3 286.423 2.924 20 30 CFEDHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907582 351063397 /nfs/dbraw/zinc/06/33/97/351063397.db2.gz OIUSWKVGKIXXNY-KRWDZBQOSA-N 1 3 298.434 2.617 20 30 CFEDHO C=CCOc1cccc(C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000291772544 198086688 /nfs/dbraw/zinc/08/66/88/198086688.db2.gz SZMWJOJBNNLYNV-AWEZNQCLSA-N 1 3 262.397 2.539 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000271494310 191173509 /nfs/dbraw/zinc/17/35/09/191173509.db2.gz PNQZXZBUALYZFX-ZMSDIMECSA-N 1 3 286.419 2.517 20 30 CFEDHO C=CCOCCN(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626064026 354184233 /nfs/dbraw/zinc/18/42/33/354184233.db2.gz ZJJUWQRRZJPKSS-UHFFFAOYSA-N 1 3 276.424 2.773 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1cnc2ccsc2c1 ZINC000294945862 199264961 /nfs/dbraw/zinc/26/49/61/199264961.db2.gz IHKUUWVSAJAXPJ-CYBMUJFWSA-N 1 3 287.432 2.902 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@H](C)c1cnc2ccsc2c1 ZINC000294945862 199264962 /nfs/dbraw/zinc/26/49/62/199264962.db2.gz IHKUUWVSAJAXPJ-CYBMUJFWSA-N 1 3 287.432 2.902 20 30 CFEDHO C(#CC[N@@H+]1CC[C@@H]2CCC[C@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243433 540590678 /nfs/dbraw/zinc/59/06/78/540590678.db2.gz GQLBHLNBZJFZBG-XLAORIBOSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@@H]2CCC[C@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243433 540590682 /nfs/dbraw/zinc/59/06/82/540590682.db2.gz GQLBHLNBZJFZBG-XLAORIBOSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@@H]2CCC[C@H]21 ZINC000671243433 540590685 /nfs/dbraw/zinc/59/06/85/540590685.db2.gz GQLBHLNBZJFZBG-XLAORIBOSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@@H]2CCC[C@H]21 ZINC000671243433 540590689 /nfs/dbraw/zinc/59/06/89/540590689.db2.gz GQLBHLNBZJFZBG-XLAORIBOSA-N 1 3 272.436 2.739 20 30 CFEDHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423436341 238456557 /nfs/dbraw/zinc/45/65/57/238456557.db2.gz LRTQLZGNQNAGEG-XNJJOIOASA-N 1 3 287.382 2.736 20 30 CFEDHO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)ccc1C#N ZINC000443994010 241105387 /nfs/dbraw/zinc/10/53/87/241105387.db2.gz NZRDWLMWQWVTIW-IAGOWNOFSA-N 1 3 271.408 2.829 20 30 CFEDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227978 378101244 /nfs/dbraw/zinc/10/12/44/378101244.db2.gz BHFVBLQORRZVSV-HNNXBMFYSA-N 1 3 285.435 2.871 20 30 CFEDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227978 378101249 /nfs/dbraw/zinc/10/12/49/378101249.db2.gz BHFVBLQORRZVSV-HNNXBMFYSA-N 1 3 285.435 2.871 20 30 CFEDHO C[N@H+](CC1CC1)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000354107734 381083770 /nfs/dbraw/zinc/08/37/70/381083770.db2.gz SAYILSDLJWMQNM-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000354107734 381083775 /nfs/dbraw/zinc/08/37/75/381083775.db2.gz SAYILSDLJWMQNM-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO CN(CC1CC1)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000354107734 381083786 /nfs/dbraw/zinc/08/37/86/381083786.db2.gz SAYILSDLJWMQNM-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000354107734 381083794 /nfs/dbraw/zinc/08/37/94/381083794.db2.gz SAYILSDLJWMQNM-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290442827 381431373 /nfs/dbraw/zinc/43/13/73/381431373.db2.gz LVLSRHBJOPCZAV-LJQANCHMSA-N 1 3 282.431 2.832 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290442827 381431378 /nfs/dbraw/zinc/43/13/78/381431378.db2.gz LVLSRHBJOPCZAV-LJQANCHMSA-N 1 3 282.431 2.832 20 30 CFEDHO C[C@@H]([NH2+]CCCSCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185668243 381697682 /nfs/dbraw/zinc/69/76/82/381697682.db2.gz DXVLVPPIGGZSLT-CABCVRRESA-N 1 3 295.496 2.876 20 30 CFEDHO C=CCOCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352144 382313624 /nfs/dbraw/zinc/31/36/24/382313624.db2.gz IYQXDWXBJRTVAE-FUHWJXTLSA-N 1 3 288.435 2.689 20 30 CFEDHO C=CCOCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364352144 382313634 /nfs/dbraw/zinc/31/36/34/382313634.db2.gz IYQXDWXBJRTVAE-FUHWJXTLSA-N 1 3 288.435 2.689 20 30 CFEDHO C=CCN(Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000680481556 542329353 /nfs/dbraw/zinc/32/93/53/542329353.db2.gz NCXUXZDPIZQQRQ-UHFFFAOYSA-N 1 3 274.408 2.777 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346848492 382542529 /nfs/dbraw/zinc/54/25/29/382542529.db2.gz DVAQAKAVTUKIOT-JQHSSLGASA-N 1 3 286.419 2.811 20 30 CFEDHO C=CCSCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000231930726 382867763 /nfs/dbraw/zinc/86/77/63/382867763.db2.gz WFBNVGALKRXKOH-SOUVJXGZSA-N 1 3 268.470 2.806 20 30 CFEDHO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCNCC1 ZINC000233074583 382870991 /nfs/dbraw/zinc/87/09/91/382870991.db2.gz LGBJSEZYBNIKFU-UHFFFAOYSA-N 1 3 287.407 2.531 20 30 CFEDHO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CCNCC1 ZINC000233074583 382870992 /nfs/dbraw/zinc/87/09/92/382870992.db2.gz LGBJSEZYBNIKFU-UHFFFAOYSA-N 1 3 287.407 2.531 20 30 CFEDHO C[C@@H]1CCC[C@](CN[C@H]2CC[C@@H](C#N)C2)([NH+](C)C)C1 ZINC000442712285 382948426 /nfs/dbraw/zinc/94/84/26/382948426.db2.gz GEBIIENMMYEGBS-WCVJEAGWSA-N 1 3 263.429 2.779 20 30 CFEDHO C[NH+](C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442719018 382949739 /nfs/dbraw/zinc/94/97/39/382949739.db2.gz PNXXMOMDKXBIKE-VNQPRFMTSA-N 1 3 263.429 2.779 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000442774685 382954164 /nfs/dbraw/zinc/95/41/64/382954164.db2.gz FELJLAIGSKTUTI-NVXWUHKLSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@@H]([NH3+])C[C@@H](C)NCCSCc1ccccc1C#N ZINC000422986026 382997869 /nfs/dbraw/zinc/99/78/69/382997869.db2.gz GJPMXTGCZONXCI-CHWSQXEVSA-N 1 3 277.437 2.507 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000246883128 383116982 /nfs/dbraw/zinc/11/69/82/383116982.db2.gz FBSJWBYALGGIEI-KZNAEPCWSA-N 1 3 293.499 2.757 20 30 CFEDHO N#Cc1csc(CNCCCCC[NH+]2CCCC2)c1 ZINC000339500346 383218592 /nfs/dbraw/zinc/21/85/92/383218592.db2.gz ZXLJMEVBRYURTQ-UHFFFAOYSA-N 1 3 277.437 2.975 20 30 CFEDHO C=CC[C@@H](C)[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007122 383463524 /nfs/dbraw/zinc/46/35/24/383463524.db2.gz FBJOBUMUOHFCJN-ZIAGYGMSSA-N 1 3 274.412 2.504 20 30 CFEDHO C#Cc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000289066495 197226727 /nfs/dbraw/zinc/22/67/27/197226727.db2.gz ACSOUYDDTKPIOX-IRXDYDNUSA-N 1 3 256.393 2.630 20 30 CFEDHO C[NH+](C)C[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000336784400 262394735 /nfs/dbraw/zinc/39/47/35/262394735.db2.gz QFWSXJJXNWPIOU-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CC(C#N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338108595 393774247 /nfs/dbraw/zinc/77/42/47/393774247.db2.gz WHTMGCDGZRHPLO-VYDXJSESSA-N 1 3 299.418 2.563 20 30 CFEDHO CC(C#N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338108595 393774251 /nfs/dbraw/zinc/77/42/51/393774251.db2.gz WHTMGCDGZRHPLO-VYDXJSESSA-N 1 3 299.418 2.563 20 30 CFEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341714381 393857350 /nfs/dbraw/zinc/85/73/50/393857350.db2.gz SMKHQWUXNPLFSH-JEBQAFNWSA-N 1 3 283.419 2.865 20 30 CFEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341714381 393857354 /nfs/dbraw/zinc/85/73/54/393857354.db2.gz SMKHQWUXNPLFSH-JEBQAFNWSA-N 1 3 283.419 2.865 20 30 CFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(CC)CC1 ZINC000657835049 413988762 /nfs/dbraw/zinc/98/87/62/413988762.db2.gz RZOJPDFLYNUMTO-ZWKOTPCHSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000658117366 414219110 /nfs/dbraw/zinc/21/91/10/414219110.db2.gz UXVBWTIUQGNSAQ-AWEZNQCLSA-N 1 3 262.397 2.854 20 30 CFEDHO C[C@@H](C[NH3+])CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423311459 274214227 /nfs/dbraw/zinc/21/42/27/274214227.db2.gz TYFOUYINVWNWNR-LRDDRELGSA-N 1 3 257.381 2.510 20 30 CFEDHO CCCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364256802 262191694 /nfs/dbraw/zinc/19/16/94/262191694.db2.gz ODJLKDCTGRYTCY-KRWDZBQOSA-N 1 3 281.488 2.669 20 30 CFEDHO CCCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364256802 262191695 /nfs/dbraw/zinc/19/16/95/262191695.db2.gz ODJLKDCTGRYTCY-KRWDZBQOSA-N 1 3 281.488 2.669 20 30 CFEDHO C=CC[C@@H](CC)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000393810160 262193273 /nfs/dbraw/zinc/19/32/73/262193273.db2.gz SFKBDRFKBAPBOL-CQSZACIVSA-N 1 3 259.397 2.995 20 30 CFEDHO C=CCOc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414814642 263053697 /nfs/dbraw/zinc/05/36/97/263053697.db2.gz ZNDLXPSDPMGUBV-DOTOQJQBSA-N 1 3 274.408 2.859 20 30 CFEDHO C=CCOCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000370359730 267311402 /nfs/dbraw/zinc/31/14/02/267311402.db2.gz VWYMOXHHVOHBGD-UHFFFAOYSA-N 1 3 266.429 2.576 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000353253278 274393381 /nfs/dbraw/zinc/39/33/81/274393381.db2.gz LBSPLLAHXONSSE-ISTRZQFTSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CC[N@H+]1C ZINC000353253278 274393382 /nfs/dbraw/zinc/39/33/82/274393382.db2.gz LBSPLLAHXONSSE-ISTRZQFTSA-N 1 3 269.392 2.618 20 30 CFEDHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC(C)(C#N)CC1 ZINC000335045152 278222405 /nfs/dbraw/zinc/22/24/05/278222405.db2.gz KZAOYHHLUMYLMO-NPCAHTBFSA-N 1 3 263.429 2.827 20 30 CFEDHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(C#N)cc1 ZINC000424381074 288066907 /nfs/dbraw/zinc/06/69/07/288066907.db2.gz YEKUEJMTJQMSSY-OWCLPIDISA-N 1 3 257.381 2.869 20 30 CFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224631 289380294 /nfs/dbraw/zinc/38/02/94/289380294.db2.gz SPAFYIWMZOMNQK-PYBGIAKNSA-N 1 3 263.429 2.921 20 30 CFEDHO C=CCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000430124662 328135756 /nfs/dbraw/zinc/13/57/56/328135756.db2.gz LGROZRJITUNSNR-SFHVURJKSA-N 1 3 286.419 2.779 20 30 CFEDHO C=CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000430124662 328135757 /nfs/dbraw/zinc/13/57/57/328135757.db2.gz LGROZRJITUNSNR-SFHVURJKSA-N 1 3 286.419 2.779 20 30 CFEDHO CC#CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582730882 329132360 /nfs/dbraw/zinc/13/23/60/329132360.db2.gz NTVAUBDFNFORNY-OAHLLOKOSA-N 1 3 276.449 2.834 20 30 CFEDHO CC#CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000582730882 329132362 /nfs/dbraw/zinc/13/23/62/329132362.db2.gz NTVAUBDFNFORNY-OAHLLOKOSA-N 1 3 276.449 2.834 20 30 CFEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582072633 325174447 /nfs/dbraw/zinc/17/44/47/325174447.db2.gz BPEJMEQSJQJCAN-HZPDHXFCSA-N 1 3 289.448 2.651 20 30 CFEDHO C=CCN(Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000178963175 329203345 /nfs/dbraw/zinc/20/33/45/329203345.db2.gz OLBYZNRTVXWHSR-UHFFFAOYSA-N 1 3 262.372 2.813 20 30 CFEDHO CC(C)C[NH+]1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185772632 329331442 /nfs/dbraw/zinc/33/14/42/329331442.db2.gz OZZXJLZDGQTGOU-HOCLYGCPSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[C@H](CN[C@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185773299 329331551 /nfs/dbraw/zinc/33/15/51/329331551.db2.gz QIAQYNGMIADRMC-JYJNAYRXSA-N 1 3 263.429 2.779 20 30 CFEDHO CCCC[NH+]1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185799333 329332120 /nfs/dbraw/zinc/33/21/20/329332120.db2.gz PJALTOSXLVZLFF-GOEBONIOSA-N 1 3 263.429 2.923 20 30 CFEDHO CC(C)(CC#N)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171630 330174549 /nfs/dbraw/zinc/17/45/49/330174549.db2.gz PGWPXQKDRSNFQX-YJBOKZPZSA-N 1 3 299.418 2.772 20 30 CFEDHO C[C@@H](CN)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423310293 330189413 /nfs/dbraw/zinc/18/94/13/330189413.db2.gz RRWUWHQUISXANJ-OOHWJJMZSA-N 1 3 271.408 2.575 20 30 CFEDHO C[C@@H]1CN(CCCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174316369 335152452 /nfs/dbraw/zinc/15/24/52/335152452.db2.gz NITVXDZOPFYIJR-IYBDPMFKSA-N 1 3 295.471 2.795 20 30 CFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012240 335171272 /nfs/dbraw/zinc/17/12/72/335171272.db2.gz GRXXAWWBSLBVGL-ZIAGYGMSSA-N 1 3 251.418 2.779 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000134412776 334090055 /nfs/dbraw/zinc/09/00/55/334090055.db2.gz OWTZIRJOICMHQQ-PBHICJAKSA-N 1 3 274.408 2.681 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000134412776 334090058 /nfs/dbraw/zinc/09/00/58/334090058.db2.gz OWTZIRJOICMHQQ-PBHICJAKSA-N 1 3 274.408 2.681 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(C)(C)C#N)[C@H](C)C1 ZINC000347198371 528667399 /nfs/dbraw/zinc/66/73/99/528667399.db2.gz LKSNCBLPMSJOLS-CVEARBPZSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(C)(C)C#N)[C@H](C)C1 ZINC000347198371 528667404 /nfs/dbraw/zinc/66/74/04/528667404.db2.gz LKSNCBLPMSJOLS-CVEARBPZSA-N 1 3 295.471 2.653 20 30 CFEDHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736648 528753091 /nfs/dbraw/zinc/75/30/91/528753091.db2.gz RPZWCLCJKVKGGM-RDJZCZTQSA-N 1 3 299.418 2.517 20 30 CFEDHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736648 528753095 /nfs/dbraw/zinc/75/30/95/528753095.db2.gz RPZWCLCJKVKGGM-RDJZCZTQSA-N 1 3 299.418 2.517 20 30 CFEDHO C(#CC[N@@H+]1CCC[C@@H]1C1CC1)CN1CCC[C@H]1C1CC1 ZINC000671240706 545558731 /nfs/dbraw/zinc/55/87/31/545558731.db2.gz LZZAXMDYQPDPQT-HDICACEKSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CCC[C@@H]1C1CC1)CN1CCC[C@H]1C1CC1 ZINC000671240706 545558736 /nfs/dbraw/zinc/55/87/36/545558736.db2.gz LZZAXMDYQPDPQT-HDICACEKSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@@H+]1CCC[C@H]1C1CC1)CN1CCC[C@@H]1C1CC1 ZINC000671240706 545558742 /nfs/dbraw/zinc/55/87/42/545558742.db2.gz LZZAXMDYQPDPQT-HDICACEKSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CCC[C@H]1C1CC1)CN1CCC[C@@H]1C1CC1 ZINC000671240706 545558745 /nfs/dbraw/zinc/55/87/45/545558745.db2.gz LZZAXMDYQPDPQT-HDICACEKSA-N 1 3 272.436 2.739 20 30 CFEDHO C#CCN(CC)Cc1cccc(C[N@H+](CC)CC#C)c1 ZINC000746457071 574149223 /nfs/dbraw/zinc/14/92/23/574149223.db2.gz VPBAKVMLYDOPNR-UHFFFAOYSA-N 1 3 268.404 2.597 20 30 CFEDHO C#CCN(CC)Cc1cccc(C[N@@H+](CC)CC#C)c1 ZINC000746457071 574149226 /nfs/dbraw/zinc/14/92/26/574149226.db2.gz VPBAKVMLYDOPNR-UHFFFAOYSA-N 1 3 268.404 2.597 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(C#N)c2)C1 ZINC000925608165 618301571 /nfs/dbraw/zinc/30/15/71/618301571.db2.gz ZVMZIGBEVOXDIB-LSDHHAIUSA-N 1 3 257.381 2.554 20 30 CFEDHO COc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615048 618317754 /nfs/dbraw/zinc/31/77/54/618317754.db2.gz DTVDRLBQUHTLCX-CABCVRRESA-N 1 3 287.407 2.562 20 30 CFEDHO C[C@H](CNC(=[NH2+])NC1CCCCCC1)N1CCC(C)CC1 ZINC000305738638 619991589 /nfs/dbraw/zinc/99/15/89/619991589.db2.gz AKWRUIHEIOHGAU-OAHLLOKOSA-N 1 3 294.487 2.734 20 30 CFEDHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(C#N)c1 ZINC000902998725 621224367 /nfs/dbraw/zinc/22/43/67/621224367.db2.gz HOWWYIZXDPUIJM-CZUORRHYSA-N 1 3 259.397 2.797 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000903425128 621379604 /nfs/dbraw/zinc/37/96/04/621379604.db2.gz TYZPMBZYSUYHMI-HOCLYGCPSA-N 1 3 271.408 2.734 20 30 CFEDHO C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CCN ZINC000903460619 621381170 /nfs/dbraw/zinc/38/11/70/621381170.db2.gz FRWDTQSTPMTLIQ-PRLABOORSA-N 1 3 263.429 2.766 20 30 CFEDHO C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1CCN ZINC000903460619 621381174 /nfs/dbraw/zinc/38/11/74/621381174.db2.gz FRWDTQSTPMTLIQ-PRLABOORSA-N 1 3 263.429 2.766 20 30 CFEDHO C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1CC[NH3+] ZINC000903498959 621394010 /nfs/dbraw/zinc/39/40/10/621394010.db2.gz OYHRIJHIHRLGCF-BXUZGUMPSA-N 1 3 277.799 2.628 20 30 CFEDHO N#CC1(CCCC[N@H+]2C[C@H]3CCC[C@]3(N)C2)CCC1 ZINC000903770279 621438031 /nfs/dbraw/zinc/43/80/31/621438031.db2.gz WHXUXVUJDGQNLW-ZBFHGGJFSA-N 1 3 261.413 2.664 20 30 CFEDHO N#CC1(CCCC[N@@H+]2C[C@H]3CCC[C@]3(N)C2)CCC1 ZINC000903770279 621438033 /nfs/dbraw/zinc/43/80/33/621438033.db2.gz WHXUXVUJDGQNLW-ZBFHGGJFSA-N 1 3 261.413 2.664 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000181101082 625066258 /nfs/dbraw/zinc/06/62/58/625066258.db2.gz WDJMYMCHCLRTSS-WBVHZDCISA-N 1 3 294.508 2.986 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccc(C[N@H+](C)[C@H](C)C#C)cc1 ZINC000769961494 625933786 /nfs/dbraw/zinc/93/37/86/625933786.db2.gz LCWNWWGLVONSEU-HZPDHXFCSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccc(C[N@@H+](C)[C@H](C)C#C)cc1 ZINC000769961494 625933791 /nfs/dbraw/zinc/93/37/91/625933791.db2.gz LCWNWWGLVONSEU-HZPDHXFCSA-N 1 3 268.404 2.594 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000921528244 625978833 /nfs/dbraw/zinc/97/88/33/625978833.db2.gz RMFGVDSHUJLTAO-OAHLLOKOSA-N 1 3 283.419 2.749 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1C#N ZINC000922760271 626359841 /nfs/dbraw/zinc/35/98/41/626359841.db2.gz QZSBPLODVBLIIZ-MRXNPFEDSA-N 1 3 271.408 2.829 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000796693873 629951105 /nfs/dbraw/zinc/95/11/05/629951105.db2.gz IAXFQGLUAQMIFJ-YESZJQIVSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000796693873 629951107 /nfs/dbraw/zinc/95/11/07/629951107.db2.gz IAXFQGLUAQMIFJ-YESZJQIVSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000796693873 629951109 /nfs/dbraw/zinc/95/11/09/629951109.db2.gz IAXFQGLUAQMIFJ-YESZJQIVSA-N 1 3 269.392 2.521 20 30 CFEDHO C[C@H](C#N)OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000801915626 630487163 /nfs/dbraw/zinc/48/71/63/630487163.db2.gz SXUDUWKXSOVOFS-MRXNPFEDSA-N 1 3 293.455 2.503 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000817919689 632734521 /nfs/dbraw/zinc/73/45/21/632734521.db2.gz UDNGCGNBDSTVOU-GZBFAFLISA-N 1 3 275.396 2.583 20 30 CFEDHO C#CCCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000876811242 643019315 /nfs/dbraw/zinc/01/93/15/643019315.db2.gz JBQACVKVVAMCHQ-RCCFBDPRSA-N 1 3 292.467 2.754 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000877073753 643136540 /nfs/dbraw/zinc/13/65/40/643136540.db2.gz RPMHCQBJZZIENL-OAGGEKHMSA-N 1 3 293.455 2.548 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000877073753 643136545 /nfs/dbraw/zinc/13/65/45/643136545.db2.gz RPMHCQBJZZIENL-OAGGEKHMSA-N 1 3 293.455 2.548 20 30 CFEDHO C[NH+](C)CCCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877568711 643367718 /nfs/dbraw/zinc/36/77/18/643367718.db2.gz UYZWCSBCGLWKLZ-UHFFFAOYSA-N 1 3 294.830 2.817 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000303889732 651006556 /nfs/dbraw/zinc/00/65/56/651006556.db2.gz MBPAZRGDDUPXMJ-GJZGRUSLSA-N 1 3 282.476 2.591 20 30 CFEDHO C#CCCCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136196 647224619 /nfs/dbraw/zinc/22/46/19/647224619.db2.gz MKOZFZMNFXLJAH-INIZCTEOSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887136196 647224621 /nfs/dbraw/zinc/22/46/21/647224621.db2.gz MKOZFZMNFXLJAH-INIZCTEOSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887136196 647224624 /nfs/dbraw/zinc/22/46/24/647224624.db2.gz MKOZFZMNFXLJAH-INIZCTEOSA-N 1 3 271.408 2.786 20 30 CFEDHO N#Cc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925714325 648292804 /nfs/dbraw/zinc/29/28/04/648292804.db2.gz PZTZPPCNTVKQON-OALUTQOASA-N 1 3 297.446 2.859 20 30 CFEDHO CCN1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000926962939 648673658 /nfs/dbraw/zinc/67/36/58/648673658.db2.gz AKCRUMTYHQCPKV-YOEHRIQHSA-N 1 3 271.408 2.687 20 30 CFEDHO C#CCCCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931283933 649401559 /nfs/dbraw/zinc/40/15/59/649401559.db2.gz IDPNIIARVZXMRS-UHFFFAOYSA-N 1 3 292.467 2.757 20 30 CFEDHO C#CCCCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283933 649401562 /nfs/dbraw/zinc/40/15/62/649401562.db2.gz IDPNIIARVZXMRS-UHFFFAOYSA-N 1 3 292.467 2.757 20 30 CFEDHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931765316 649485816 /nfs/dbraw/zinc/48/58/16/649485816.db2.gz VTLCFRSOBNUSRF-GTPINHCMSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CCC(C#N)CC1 ZINC000931765316 649485819 /nfs/dbraw/zinc/48/58/19/649485819.db2.gz VTLCFRSOBNUSRF-GTPINHCMSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@H](CNC(=[NH2+])NC1CCCCCC1)N1CCCC[C@@H]1C ZINC000305750605 651074830 /nfs/dbraw/zinc/07/48/30/651074830.db2.gz ZOYBNXBLAIJAAX-LSDHHAIUSA-N 1 3 294.487 2.876 20 30 CFEDHO C[C@@H](CNC(=[NH2+])NC1CCCCCC1)N1CCCC[C@H]1C ZINC000305750602 651074901 /nfs/dbraw/zinc/07/49/01/651074901.db2.gz ZOYBNXBLAIJAAX-CABCVRRESA-N 1 3 294.487 2.876 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000692273278 770248626 /nfs/dbraw/zinc/24/86/26/770248626.db2.gz RFXHBHHNRICJCM-VEJQYAPMSA-N 1 3 260.425 2.707 20 30 CFEDHO C=CCOc1cccc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001231624556 777284202 /nfs/dbraw/zinc/28/42/02/777284202.db2.gz PQKSJMRSEUJTJA-UHFFFAOYSA-N 1 3 286.419 2.779 20 30 CFEDHO N#Cc1cccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232255 778423957 /nfs/dbraw/zinc/42/39/57/778423957.db2.gz WWROWTVNECGVQR-SFHVURJKSA-N 1 3 283.419 2.912 20 30 CFEDHO CC(C)C[C@@H](N)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594736783 349484705 /nfs/dbraw/zinc/48/47/05/349484705.db2.gz UYFVXLIILRPMEZ-OAHLLOKOSA-N 1 3 259.397 2.756 20 30 CFEDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594921093 349508352 /nfs/dbraw/zinc/50/83/52/349508352.db2.gz BAKUWEATWXCZLA-INIZCTEOSA-N 1 3 283.419 2.673 20 30 CFEDHO C[N@H+]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594921093 349508353 /nfs/dbraw/zinc/50/83/53/349508353.db2.gz BAKUWEATWXCZLA-INIZCTEOSA-N 1 3 283.419 2.673 20 30 CFEDHO CN1CC=C(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594936159 349518555 /nfs/dbraw/zinc/51/85/55/349518555.db2.gz UGMQDJPBAOOKEJ-UHFFFAOYSA-N 1 3 281.403 2.593 20 30 CFEDHO N#Cc1ccc(CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595055819 349567527 /nfs/dbraw/zinc/56/75/27/349567527.db2.gz JXFSNSOAMHFFCV-UHFFFAOYSA-N 1 3 283.419 2.565 20 30 CFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595327410 349602122 /nfs/dbraw/zinc/60/21/22/349602122.db2.gz NLPSOZXBCKUNAL-SFHVURJKSA-N 1 3 285.435 2.907 20 30 CFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595327410 349602125 /nfs/dbraw/zinc/60/21/25/349602125.db2.gz NLPSOZXBCKUNAL-SFHVURJKSA-N 1 3 285.435 2.907 20 30 CFEDHO C[N@H+](CCCN1CCCC1)CCc1ccc(C#N)cc1 ZINC000595473424 349637573 /nfs/dbraw/zinc/63/75/73/349637573.db2.gz KGPZVIDXFDWCHB-UHFFFAOYSA-N 1 3 271.408 2.518 20 30 CFEDHO C[N@@H+](CCCN1CCCC1)CCc1ccc(C#N)cc1 ZINC000595473424 349637574 /nfs/dbraw/zinc/63/75/74/349637574.db2.gz KGPZVIDXFDWCHB-UHFFFAOYSA-N 1 3 271.408 2.518 20 30 CFEDHO C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@H]1CCN ZINC000595896631 349764151 /nfs/dbraw/zinc/76/41/51/349764151.db2.gz SLOHWTNVAUNONO-PBHICJAKSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@H]1CCN ZINC000595896631 349764154 /nfs/dbraw/zinc/76/41/54/349764154.db2.gz SLOHWTNVAUNONO-PBHICJAKSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@@H]1CCCN(CCc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000595896631 349764157 /nfs/dbraw/zinc/76/41/57/349764157.db2.gz SLOHWTNVAUNONO-PBHICJAKSA-N 1 3 271.408 2.550 20 30 CFEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596650213 349968254 /nfs/dbraw/zinc/96/82/54/349968254.db2.gz JLXHMENPJLGQOW-RCCFBDPRSA-N 1 3 283.419 2.611 20 30 CFEDHO C=CCCSCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000596650025 349968834 /nfs/dbraw/zinc/96/88/34/349968834.db2.gz HVAPLRPOKCJFDG-LBPRGKRZSA-N 1 3 279.453 2.809 20 30 CFEDHO C=CCCSCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000596652385 349968928 /nfs/dbraw/zinc/96/89/28/349968928.db2.gz TTWIQTGUYMBELI-RRFJBIMHSA-N 1 3 268.470 2.806 20 30 CFEDHO C=C(C)C[NH+]1CCC(NCc2cccc3c[nH]nc32)CC1 ZINC000084022605 347455575 /nfs/dbraw/zinc/45/55/75/347455575.db2.gz MLXFVUYIFTXDCM-UHFFFAOYSA-N 1 3 284.407 2.693 20 30 CFEDHO C[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000404381767 348591601 /nfs/dbraw/zinc/59/16/01/348591601.db2.gz MRBYJACNOAXUPK-CZUORRHYSA-N 1 3 257.381 2.508 20 30 CFEDHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577521 349031084 /nfs/dbraw/zinc/03/10/84/349031084.db2.gz YJYQQFLQASYEJR-HOTGVXAUSA-N 1 3 257.381 2.509 20 30 CFEDHO C[C@H](NCCC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000593324765 349247594 /nfs/dbraw/zinc/24/75/94/349247594.db2.gz ZPQYFUPTWZETFR-LBPRGKRZSA-N 1 3 275.371 2.738 20 30 CFEDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000599071783 350371062 /nfs/dbraw/zinc/37/10/62/350371062.db2.gz SWIKSMHOZHEHNP-GDBMZVCRSA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000602477583 350898370 /nfs/dbraw/zinc/89/83/70/350898370.db2.gz TUIWZCZNTPQZPQ-HOTGVXAUSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000602477583 350898373 /nfs/dbraw/zinc/89/83/73/350898373.db2.gz TUIWZCZNTPQZPQ-HOTGVXAUSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@@H](CCC#N)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602477583 350898376 /nfs/dbraw/zinc/89/83/76/350898376.db2.gz TUIWZCZNTPQZPQ-HOTGVXAUSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602502204 350907535 /nfs/dbraw/zinc/90/75/35/350907535.db2.gz JPWNNOHTIPFPRX-FHERZECASA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000602516868 350912511 /nfs/dbraw/zinc/91/25/11/350912511.db2.gz SHKPYJRGKKMGCG-OAHLLOKOSA-N 1 3 289.423 2.656 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000602518780 350913130 /nfs/dbraw/zinc/91/31/30/350913130.db2.gz RWJLUZSCGHTIHW-HUUCEWRRSA-N 1 3 251.418 2.638 20 30 CFEDHO N#Cc1cccc(CNCCCCC[NH+]2CCCCC2)n1 ZINC000602536470 350917661 /nfs/dbraw/zinc/91/76/61/350917661.db2.gz DPGDWUFBIQGHLU-UHFFFAOYSA-N 1 3 286.423 2.699 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000602661045 350965680 /nfs/dbraw/zinc/96/56/80/350965680.db2.gz BRNIZEKJAPZRJG-GDBMZVCRSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000602661045 350965681 /nfs/dbraw/zinc/96/56/81/350965681.db2.gz BRNIZEKJAPZRJG-GDBMZVCRSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](NCC1(CC#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812590 351035044 /nfs/dbraw/zinc/03/50/44/351035044.db2.gz UEZHJXMGPGBSSV-CABCVRRESA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@@H](NCC1(CC#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602812590 351035047 /nfs/dbraw/zinc/03/50/47/351035047.db2.gz UEZHJXMGPGBSSV-CABCVRRESA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000602812590 351035050 /nfs/dbraw/zinc/03/50/50/351035050.db2.gz UEZHJXMGPGBSSV-CABCVRRESA-N 1 3 275.440 2.923 20 30 CFEDHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391174 351680158 /nfs/dbraw/zinc/68/01/58/351680158.db2.gz YOBVIBWIYGUGNM-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391174 351680162 /nfs/dbraw/zinc/68/01/62/351680162.db2.gz YOBVIBWIYGUGNM-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391174 351680165 /nfs/dbraw/zinc/68/01/65/351680165.db2.gz YOBVIBWIYGUGNM-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000271474329 191158146 /nfs/dbraw/zinc/15/81/46/191158146.db2.gz MJWPJEWRDDFNNT-NVXWUHKLSA-N 1 3 286.419 2.519 20 30 CFEDHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000618806126 352884298 /nfs/dbraw/zinc/88/42/98/352884298.db2.gz OBOWHQQPFNJNDM-VMGRFDJRSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000618806126 352884299 /nfs/dbraw/zinc/88/42/99/352884299.db2.gz OBOWHQQPFNJNDM-VMGRFDJRSA-N 1 3 269.392 2.618 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000335020117 283192782 /nfs/dbraw/zinc/19/27/82/283192782.db2.gz ZAPRPLGGTNPAHU-CRAIPNDOSA-N 1 3 283.419 2.915 20 30 CFEDHO C=CCN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000154758841 540798359 /nfs/dbraw/zinc/79/83/59/540798359.db2.gz WWPFWJSTAOTCIV-UHFFFAOYSA-N 1 3 274.408 2.779 20 30 CFEDHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(C#N)o1 ZINC000135121858 378086158 /nfs/dbraw/zinc/08/61/58/378086158.db2.gz ONKSZLHCAIHRED-ZDUSSCGKSA-N 1 3 263.385 2.751 20 30 CFEDHO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000152066094 378389031 /nfs/dbraw/zinc/38/90/31/378389031.db2.gz FBSJWBYALGGIEI-KSZLIROESA-N 1 3 293.499 2.757 20 30 CFEDHO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)C(C)C ZINC000152069457 378389979 /nfs/dbraw/zinc/38/99/79/378389979.db2.gz ICEACAKMFIDFCI-SQNIBIBYSA-N 1 3 293.499 2.615 20 30 CFEDHO CCCN1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299625 379858890 /nfs/dbraw/zinc/85/88/90/379858890.db2.gz FOYLIRFYAGETDF-CQSZACIVSA-N 1 3 251.418 2.638 20 30 CFEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000174386028 379875460 /nfs/dbraw/zinc/87/54/60/379875460.db2.gz KMAGXRPHUKKIAO-UHFFFAOYSA-N 1 3 275.396 2.897 20 30 CFEDHO C[C@H](NCCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358593595 380955840 /nfs/dbraw/zinc/95/58/40/380955840.db2.gz RRABVTNWZICPLL-LBPRGKRZSA-N 1 3 263.360 2.690 20 30 CFEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000342719574 381497183 /nfs/dbraw/zinc/49/71/83/381497183.db2.gz GKUJGJHUTNAXCK-CRAIPNDOSA-N 1 3 285.435 2.915 20 30 CFEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000342719574 381497191 /nfs/dbraw/zinc/49/71/91/381497191.db2.gz GKUJGJHUTNAXCK-CRAIPNDOSA-N 1 3 285.435 2.915 20 30 CFEDHO CC(C)[NH+]1CCC(NCCc2cccc(C#N)c2)CC1 ZINC000343519281 381769748 /nfs/dbraw/zinc/76/97/48/381769748.db2.gz TUMNUUJWEJLLHX-UHFFFAOYSA-N 1 3 271.408 2.563 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000349755426 381986822 /nfs/dbraw/zinc/98/68/22/381986822.db2.gz GCWSGCJGQZRREU-OIISXLGYSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000349755426 381986834 /nfs/dbraw/zinc/98/68/34/381986834.db2.gz GCWSGCJGQZRREU-OIISXLGYSA-N 1 3 280.456 2.556 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000293238271 382041837 /nfs/dbraw/zinc/04/18/37/382041837.db2.gz BCSDUDHXSOGLGO-CABCVRRESA-N 1 3 274.408 2.547 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000345820604 382316389 /nfs/dbraw/zinc/31/63/89/382316389.db2.gz USYKGVXXTWKLAG-GJZGRUSLSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000345820604 382316396 /nfs/dbraw/zinc/31/63/96/382316396.db2.gz USYKGVXXTWKLAG-GJZGRUSLSA-N 1 3 299.418 2.694 20 30 CFEDHO C=CCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000365835531 382452903 /nfs/dbraw/zinc/45/29/03/382452903.db2.gz GGKBDKLKVVMQAY-YESZJQIVSA-N 1 3 280.456 2.916 20 30 CFEDHO C[N@@H+]1CC[C@@]2(CCN(CCCCC(C)(C)C#N)C2)C1 ZINC000366329271 382498549 /nfs/dbraw/zinc/49/85/49/382498549.db2.gz ZYNZHHSPGLGBSS-MRXNPFEDSA-N 1 3 263.429 2.734 20 30 CFEDHO C[N@H+]1CC[C@@]2(CCN(CCCCC(C)(C)C#N)C2)C1 ZINC000366329271 382498558 /nfs/dbraw/zinc/49/85/58/382498558.db2.gz ZYNZHHSPGLGBSS-MRXNPFEDSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000366488635 382519842 /nfs/dbraw/zinc/51/98/42/382519842.db2.gz JKFVRDLDGJZYBO-CRAIPNDOSA-N 1 3 299.418 2.505 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000366488635 382519846 /nfs/dbraw/zinc/51/98/46/382519846.db2.gz JKFVRDLDGJZYBO-CRAIPNDOSA-N 1 3 299.418 2.505 20 30 CFEDHO C=C(Cl)CN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310090 382564827 /nfs/dbraw/zinc/56/48/27/382564827.db2.gz MNTKTIWLEXQZQS-CYBMUJFWSA-N 1 3 268.832 2.935 20 30 CFEDHO C=C(Cl)CN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310090 382564832 /nfs/dbraw/zinc/56/48/32/382564832.db2.gz MNTKTIWLEXQZQS-CYBMUJFWSA-N 1 3 268.832 2.935 20 30 CFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346832695 382534443 /nfs/dbraw/zinc/53/44/43/382534443.db2.gz RMNYHLZDAIUXHL-CGTJXYLNSA-N 1 3 286.419 2.811 20 30 CFEDHO C=CCCCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000193341224 382718892 /nfs/dbraw/zinc/71/88/92/382718892.db2.gz IMBSXFKPAXHGBZ-SFHVURJKSA-N 1 3 293.499 2.835 20 30 CFEDHO C=CCCCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000193341224 382718893 /nfs/dbraw/zinc/71/88/93/382718893.db2.gz IMBSXFKPAXHGBZ-SFHVURJKSA-N 1 3 293.499 2.835 20 30 CFEDHO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)CN1CCCC1 ZINC000449090336 383171580 /nfs/dbraw/zinc/17/15/80/383171580.db2.gz NAWCDHYOGWOCOT-FHERZECASA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449698404 383362310 /nfs/dbraw/zinc/36/23/10/383362310.db2.gz NJAMZLXIOFDJIQ-CGTJXYLNSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449698404 383362313 /nfs/dbraw/zinc/36/23/13/383362313.db2.gz NJAMZLXIOFDJIQ-CGTJXYLNSA-N 1 3 294.483 2.946 20 30 CFEDHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)ccc1C#N ZINC000488449244 383542496 /nfs/dbraw/zinc/54/24/96/383542496.db2.gz OYMKSVVTINEQEL-INIZCTEOSA-N 1 3 271.408 2.640 20 30 CFEDHO Cc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)ccc1C#N ZINC000488449244 383542499 /nfs/dbraw/zinc/54/24/99/383542499.db2.gz OYMKSVVTINEQEL-INIZCTEOSA-N 1 3 271.408 2.640 20 30 CFEDHO C=CCOCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000645076736 385176262 /nfs/dbraw/zinc/17/62/62/385176262.db2.gz JLCYGNCHMVMOSB-UHFFFAOYSA-N 1 3 280.456 2.777 20 30 CFEDHO CC(C#N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338108591 393774510 /nfs/dbraw/zinc/77/45/10/393774510.db2.gz WHTMGCDGZRHPLO-HLLBOEOZSA-N 1 3 299.418 2.563 20 30 CFEDHO CC(C#N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338108591 393774518 /nfs/dbraw/zinc/77/45/18/393774518.db2.gz WHTMGCDGZRHPLO-HLLBOEOZSA-N 1 3 299.418 2.563 20 30 CFEDHO N#CCCOCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000339050715 393813600 /nfs/dbraw/zinc/81/36/00/393813600.db2.gz KWETYHPVIIKMGV-UHFFFAOYSA-N 1 3 293.455 2.505 20 30 CFEDHO C=CC[C@H]1N(C[C@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423582 413306646 /nfs/dbraw/zinc/30/66/46/413306646.db2.gz SJYZVIJCWWYHFA-HZPDHXFCSA-N 1 3 282.472 2.754 20 30 CFEDHO C=CC[C@H]1N(C[C@H](O)C[N@H+](C)C(C)C)CCCC1(C)C ZINC000660423582 413306660 /nfs/dbraw/zinc/30/66/60/413306660.db2.gz SJYZVIJCWWYHFA-HZPDHXFCSA-N 1 3 282.472 2.754 20 30 CFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658002895 414098291 /nfs/dbraw/zinc/09/82/91/414098291.db2.gz PJLRQILFTKRASN-IRXDYDNUSA-N 1 3 293.499 2.737 20 30 CFEDHO C=CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CCCC1 ZINC000665236270 414191334 /nfs/dbraw/zinc/19/13/34/414191334.db2.gz JMSIAMZYILCWIK-OWCLPIDISA-N 1 3 280.456 2.855 20 30 CFEDHO CC[N@H+](C)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000174881100 261200894 /nfs/dbraw/zinc/20/08/94/261200894.db2.gz TUCKPZJFSIOCBJ-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[N@@H+](C)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000174881100 261200896 /nfs/dbraw/zinc/20/08/96/261200896.db2.gz TUCKPZJFSIOCBJ-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174881100 261200897 /nfs/dbraw/zinc/20/08/97/261200897.db2.gz TUCKPZJFSIOCBJ-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174881100 261200899 /nfs/dbraw/zinc/20/08/99/261200899.db2.gz TUCKPZJFSIOCBJ-AWEZNQCLSA-N 1 3 251.418 2.590 20 30 CFEDHO C[N@H+](CCCCC#N)CC1CCN(c2ccncc2)CC1 ZINC000367887928 267125057 /nfs/dbraw/zinc/12/50/57/267125057.db2.gz WVNKGWNXNLTHPG-UHFFFAOYSA-N 1 3 286.423 2.924 20 30 CFEDHO C[N@@H+](CCCCC#N)CC1CCN(c2ccncc2)CC1 ZINC000367887928 267125061 /nfs/dbraw/zinc/12/50/61/267125061.db2.gz WVNKGWNXNLTHPG-UHFFFAOYSA-N 1 3 286.423 2.924 20 30 CFEDHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124132 267221941 /nfs/dbraw/zinc/22/19/41/267221941.db2.gz YMNANXRNIYCBDG-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124132 267221945 /nfs/dbraw/zinc/22/19/45/267221945.db2.gz YMNANXRNIYCBDG-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423389297 274377586 /nfs/dbraw/zinc/37/75/86/274377586.db2.gz JHAWCMHCXBTZCD-BVGQSLNGSA-N 1 3 283.419 2.913 20 30 CFEDHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(C#N)cc1 ZINC000423400833 288090409 /nfs/dbraw/zinc/09/04/09/288090409.db2.gz QKSPBLCOPKDPKE-KCXAZCMYSA-N 1 3 257.381 2.597 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000346685007 289234766 /nfs/dbraw/zinc/23/47/66/289234766.db2.gz HYLJSDLQHUIFGF-HLLBOEOZSA-N 1 3 299.418 2.658 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000346685007 289234768 /nfs/dbraw/zinc/23/47/68/289234768.db2.gz HYLJSDLQHUIFGF-HLLBOEOZSA-N 1 3 299.418 2.658 20 30 CFEDHO C=C(C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177497687 329184929 /nfs/dbraw/zinc/18/49/29/329184929.db2.gz ZTZADIPUYMOZHS-IYBDPMFKSA-N 1 3 280.456 2.774 20 30 CFEDHO C=C(C)[C@@H](N[C@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044809 330166739 /nfs/dbraw/zinc/16/67/39/330166739.db2.gz BCVOKNOZJYTVCO-CZUORRHYSA-N 1 3 298.377 2.926 20 30 CFEDHO C=C(C)[C@H](N[C@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044808 330166800 /nfs/dbraw/zinc/16/68/00/330166800.db2.gz BCVOKNOZJYTVCO-CJNGLKHVSA-N 1 3 298.377 2.926 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099771 330170100 /nfs/dbraw/zinc/17/01/00/330170100.db2.gz UHBLZHQWXMCWIZ-VZEFYGNVSA-N 1 3 272.392 2.702 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000424368362 330348052 /nfs/dbraw/zinc/34/80/52/330348052.db2.gz PSJKTODNABQFHM-XBVQOTNRSA-N 1 3 269.392 2.762 20 30 CFEDHO COc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615051 618317852 /nfs/dbraw/zinc/31/78/52/618317852.db2.gz DTVDRLBQUHTLCX-HUUCEWRRSA-N 1 3 287.407 2.562 20 30 CFEDHO CC(C)(CC#N)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925696145 618948155 /nfs/dbraw/zinc/94/81/55/618948155.db2.gz STZDJAGUPNNOLF-CABCVRRESA-N 1 3 263.429 2.684 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCN(C)C ZINC000894449143 619388278 /nfs/dbraw/zinc/38/82/78/619388278.db2.gz KHIILVBEKPPTQQ-UHFFFAOYSA-N 1 3 259.397 2.559 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+](C)CCCN(C)C ZINC000894449143 619388280 /nfs/dbraw/zinc/38/82/80/619388280.db2.gz KHIILVBEKPPTQQ-UHFFFAOYSA-N 1 3 259.397 2.559 20 30 CFEDHO C[NH+]1CCC([C@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC000894478981 619397321 /nfs/dbraw/zinc/39/73/21/619397321.db2.gz HPOJHGYZKQHFKN-IBGZPJMESA-N 1 3 282.431 2.702 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000895556271 619554276 /nfs/dbraw/zinc/55/42/76/619554276.db2.gz GPWRXXUBSRRSTK-GJZGRUSLSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000895556271 619554278 /nfs/dbraw/zinc/55/42/78/619554278.db2.gz GPWRXXUBSRRSTK-GJZGRUSLSA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@@H](CCC#N)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556271 619554280 /nfs/dbraw/zinc/55/42/80/619554280.db2.gz GPWRXXUBSRRSTK-GJZGRUSLSA-N 1 3 272.396 2.532 20 30 CFEDHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752070 621164682 /nfs/dbraw/zinc/16/46/82/621164682.db2.gz GCSXEQKDRVOOAR-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752070 621164685 /nfs/dbraw/zinc/16/46/85/621164685.db2.gz GCSXEQKDRVOOAR-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C#N)c1 ZINC000902752070 621164686 /nfs/dbraw/zinc/16/46/86/621164686.db2.gz GCSXEQKDRVOOAR-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO C=CCN(Cc1ccccc1F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903433053 621373113 /nfs/dbraw/zinc/37/31/13/621373113.db2.gz SHETUTWDKQTMBI-DZGCQCFKSA-N 1 3 262.372 2.941 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000903459144 621380707 /nfs/dbraw/zinc/38/07/07/621380707.db2.gz DLJXCVRCLZMLRI-HZPDHXFCSA-N 1 3 257.381 2.535 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911754202 622547442 /nfs/dbraw/zinc/54/74/42/622547442.db2.gz RYRWXNBWEYYZRH-ZBFHGGJFSA-N 1 3 297.487 2.650 20 30 CFEDHO C#Cc1cccc(C[NH2+]C2CCN(CCC)CC2)c1 ZINC000825227324 623653929 /nfs/dbraw/zinc/65/39/29/623653929.db2.gz SKLZXPOXVWQVEV-UHFFFAOYSA-N 1 3 256.393 2.632 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166836 627181730 /nfs/dbraw/zinc/18/17/30/627181730.db2.gz WCKYVWFTSCZQFA-HLLBOEOZSA-N 1 3 286.419 2.832 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166836 627181732 /nfs/dbraw/zinc/18/17/32/627181732.db2.gz WCKYVWFTSCZQFA-HLLBOEOZSA-N 1 3 286.419 2.832 20 30 CFEDHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000854230522 635266839 /nfs/dbraw/zinc/26/68/39/635266839.db2.gz STRYUYUGFRAOGV-CZUORRHYSA-N 1 3 275.396 2.613 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@@H]1CCN(CCC)C1 ZINC000876964214 643084459 /nfs/dbraw/zinc/08/44/59/643084459.db2.gz VHBJFAARTCPUMK-INIZCTEOSA-N 1 3 250.430 2.892 20 30 CFEDHO N#Cc1cccc(CNC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000877075743 643137258 /nfs/dbraw/zinc/13/72/58/643137258.db2.gz GMAJNVKJPXAALQ-UHFFFAOYSA-N 1 3 298.434 2.840 20 30 CFEDHO C#CCCCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878147246 643759521 /nfs/dbraw/zinc/75/95/21/643759521.db2.gz BDYBFLUYLYFVML-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO CC[C@H](CNC(=[NH2+])Nc1cccc(C)c1)N1CCCC1 ZINC000104166812 647552903 /nfs/dbraw/zinc/55/29/03/647552903.db2.gz OJXVFZKLOKUHSV-OAHLLOKOSA-N 1 3 274.412 2.596 20 30 CFEDHO COc1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668678 648271156 /nfs/dbraw/zinc/27/11/56/648271156.db2.gz JSXWSOOYYMWPKS-GJZGRUSLSA-N 1 3 287.407 2.562 20 30 CFEDHO Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1C#N ZINC000926962941 648672927 /nfs/dbraw/zinc/67/29/27/648672927.db2.gz ALMQQWRAKJTOJF-UHFFFAOYSA-N 1 3 283.419 2.831 20 30 CFEDHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000926962935 648673173 /nfs/dbraw/zinc/67/31/73/648673173.db2.gz AKCRUMTYHQCPKV-RHSMWYFYSA-N 1 3 271.408 2.687 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929789446 649123499 /nfs/dbraw/zinc/12/34/99/649123499.db2.gz FOQAJDZDFXSDMP-GPANFISMSA-N 1 3 263.429 2.590 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929789446 649123500 /nfs/dbraw/zinc/12/35/00/649123500.db2.gz FOQAJDZDFXSDMP-GPANFISMSA-N 1 3 263.429 2.590 20 30 CFEDHO CCc1cc(C#N)ccc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206808006 769988795 /nfs/dbraw/zinc/98/87/95/769988795.db2.gz JJHRPZFNPNHCKI-DZGCQCFKSA-N 1 3 271.408 2.680 20 30 CFEDHO CC(C)[NH+]1CCC(CN(C)Cc2ccnc(C#N)c2)CC1 ZINC001237469961 779114870 /nfs/dbraw/zinc/11/48/70/779114870.db2.gz JWCRRRZQITUKEI-UHFFFAOYSA-N 1 3 286.423 2.505 20 30 CFEDHO C=CC(C)(C)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000701915662 780851577 /nfs/dbraw/zinc/85/15/77/780851577.db2.gz ASUQTCOYOLPVTP-HZSPNIEDSA-N 1 3 250.430 2.955 20 30 CFEDHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000594510968 349435473 /nfs/dbraw/zinc/43/54/73/349435473.db2.gz QDJGSUQRFCNKOF-BNOWGMLFSA-N 1 3 275.371 2.688 20 30 CFEDHO N#Cc1ccc(C2(N[C@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000594584718 349452580 /nfs/dbraw/zinc/45/25/80/349452580.db2.gz FJDZUGPMYMHGFV-HOTGVXAUSA-N 1 3 269.392 2.797 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595070504 349573496 /nfs/dbraw/zinc/57/34/96/349573496.db2.gz VKFUHFRQOZKQFR-QZTJIDSGSA-N 1 3 298.434 2.575 20 30 CFEDHO C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1CCN ZINC000595896632 349764066 /nfs/dbraw/zinc/76/40/66/349764066.db2.gz SLOHWTNVAUNONO-RHSMWYFYSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1CCN ZINC000595896632 349764069 /nfs/dbraw/zinc/76/40/69/349764069.db2.gz SLOHWTNVAUNONO-RHSMWYFYSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@@H]1CCCN(CCc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000595896632 349764072 /nfs/dbraw/zinc/76/40/72/349764072.db2.gz SLOHWTNVAUNONO-RHSMWYFYSA-N 1 3 271.408 2.550 20 30 CFEDHO CC(C)(C#N)CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000151138467 347959360 /nfs/dbraw/zinc/95/93/60/347959360.db2.gz XOVRQDVBRCMHLR-UHFFFAOYSA-N 1 3 272.396 2.534 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000591582695 349032930 /nfs/dbraw/zinc/03/29/30/349032930.db2.gz UMISWNIJIVQPTN-SHARSMKWSA-N 1 3 261.413 2.723 20 30 CFEDHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000593324764 349247333 /nfs/dbraw/zinc/24/73/33/349247333.db2.gz ZPQYFUPTWZETFR-GFCCVEGCSA-N 1 3 275.371 2.738 20 30 CFEDHO CN1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC1(C)C ZINC000598982590 350354059 /nfs/dbraw/zinc/35/40/59/350354059.db2.gz KLWIHJWXPJPTFC-MRXNPFEDSA-N 1 3 271.408 2.715 20 30 CFEDHO CN1CCCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000598994396 350356874 /nfs/dbraw/zinc/35/68/74/350356874.db2.gz MDISLZRSQZUSKC-QQFBHYJXSA-N 1 3 263.429 2.780 20 30 CFEDHO N#C[C@H]1CCC[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000602020034 350833898 /nfs/dbraw/zinc/83/38/98/350833898.db2.gz IHEZAABELGFVAL-BBRMVZONSA-N 1 3 269.392 2.504 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1OCCN(C)C ZINC000602524206 350914026 /nfs/dbraw/zinc/91/40/26/350914026.db2.gz LCLLUQNLSBMXAN-HNNXBMFYSA-N 1 3 289.423 2.656 20 30 CFEDHO N#CCC1(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC000602821653 351037551 /nfs/dbraw/zinc/03/75/51/351037551.db2.gz QEROIXVXIKFTHT-HDICACEKSA-N 1 3 295.430 2.744 20 30 CFEDHO N#CCC1(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC000602821653 351037554 /nfs/dbraw/zinc/03/75/54/351037554.db2.gz QEROIXVXIKFTHT-HDICACEKSA-N 1 3 295.430 2.744 20 30 CFEDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167590 352056319 /nfs/dbraw/zinc/05/63/19/352056319.db2.gz USBNLADMRMHADO-MRXNPFEDSA-N 1 3 285.435 2.871 20 30 CFEDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167590 352056320 /nfs/dbraw/zinc/05/63/20/352056320.db2.gz USBNLADMRMHADO-MRXNPFEDSA-N 1 3 285.435 2.871 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000271474332 191158165 /nfs/dbraw/zinc/15/81/65/191158165.db2.gz MJWPJEWRDDFNNT-RDJZCZTQSA-N 1 3 286.419 2.519 20 30 CFEDHO CC[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618804439 352883822 /nfs/dbraw/zinc/88/38/22/352883822.db2.gz LKPCZCXKNIBNNS-KRWDZBQOSA-N 1 3 269.392 2.619 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000423339250 283192189 /nfs/dbraw/zinc/19/21/89/283192189.db2.gz ZKNYWAKETJHTIW-IAGOWNOFSA-N 1 3 269.392 2.653 20 30 CFEDHO C=CCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414908277 540830200 /nfs/dbraw/zinc/83/02/00/540830200.db2.gz BEXWPPKUZNDGTK-HUUCEWRRSA-N 1 3 260.381 2.611 20 30 CFEDHO C[C@H]([NH3+])CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423225788 238289410 /nfs/dbraw/zinc/28/94/10/238289410.db2.gz OGUBLVARMJRCNY-BLLLJJGKSA-N 1 3 257.381 2.653 20 30 CFEDHO CCN(Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614336 240330923 /nfs/dbraw/zinc/33/09/23/240330923.db2.gz MHGSQPZYMAZNFK-MRXNPFEDSA-N 1 3 257.381 2.522 20 30 CFEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])N(CC)CC ZINC000264122976 383697680 /nfs/dbraw/zinc/69/76/80/383697680.db2.gz RKTLAWAEIKHEAO-UHFFFAOYSA-N 1 3 290.455 2.685 20 30 CFEDHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000130557270 377575733 /nfs/dbraw/zinc/57/57/33/377575733.db2.gz MLIAYYXUULXLHI-OAHLLOKOSA-N 1 3 274.412 2.534 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358425177 380839747 /nfs/dbraw/zinc/83/97/47/380839747.db2.gz LDQVWBBBDZNQHV-LSDHHAIUSA-N 1 3 291.439 2.649 20 30 CFEDHO CC(C#N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358425177 380839754 /nfs/dbraw/zinc/83/97/54/380839754.db2.gz LDQVWBBBDZNQHV-LSDHHAIUSA-N 1 3 291.439 2.649 20 30 CFEDHO C#CCCC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368654239 381098463 /nfs/dbraw/zinc/09/84/63/381098463.db2.gz ZIGYCCKJISMQOG-QGZVFWFLSA-N 1 3 298.430 2.978 20 30 CFEDHO C=CCC[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000185206930 381564746 /nfs/dbraw/zinc/56/47/46/381564746.db2.gz SAKFEGJEVSCZAY-JYJNAYRXSA-N 1 3 268.445 2.820 20 30 CFEDHO CN(C)[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000373017201 381911323 /nfs/dbraw/zinc/91/13/23/381911323.db2.gz ZMJURNXOPWYGHA-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO CN(C)[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000373017201 381911328 /nfs/dbraw/zinc/91/13/28/381911328.db2.gz ZMJURNXOPWYGHA-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO C[NH+](C)[C@@H]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000373017201 381911338 /nfs/dbraw/zinc/91/13/38/381911338.db2.gz ZMJURNXOPWYGHA-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO CN(Cc1ccc(C#N)o1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377691583 382321825 /nfs/dbraw/zinc/32/18/25/382321825.db2.gz HXAROILJOAQAJR-UHFFFAOYSA-N 1 3 296.374 2.647 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1C#N ZINC000353611985 382576967 /nfs/dbraw/zinc/57/69/67/382576967.db2.gz PUWXGGWYRBWERV-GVDBMIGSSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1C#N ZINC000353611985 382576971 /nfs/dbraw/zinc/57/69/71/382576971.db2.gz PUWXGGWYRBWERV-GVDBMIGSSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1C#N ZINC000353611985 382576974 /nfs/dbraw/zinc/57/69/74/382576974.db2.gz PUWXGGWYRBWERV-GVDBMIGSSA-N 1 3 299.418 2.529 20 30 CFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346833474 382534605 /nfs/dbraw/zinc/53/46/05/382534605.db2.gz RMNYHLZDAIUXHL-SZMVWBNQSA-N 1 3 286.419 2.811 20 30 CFEDHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000193021400 382714718 /nfs/dbraw/zinc/71/47/18/382714718.db2.gz JJUDNGXTQVSVIH-AWEZNQCLSA-N 1 3 299.418 2.866 20 30 CFEDHO CCC(CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC000442722167 382949575 /nfs/dbraw/zinc/94/95/75/382949575.db2.gz UWHFFCRCYBUDOU-SNPRPXQTSA-N 1 3 251.418 2.635 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000246883153 383117498 /nfs/dbraw/zinc/11/74/98/383117498.db2.gz FBSJWBYALGGIEI-RCCFBDPRSA-N 1 3 293.499 2.757 20 30 CFEDHO C=CCOc1ccccc1CN1CCC(CC[NH3+])CC1 ZINC000566317099 383186059 /nfs/dbraw/zinc/18/60/59/383186059.db2.gz VZIFSIRNHXFSOY-UHFFFAOYSA-N 1 3 274.408 2.812 20 30 CFEDHO C=CCC[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000248522614 383253379 /nfs/dbraw/zinc/25/33/79/383253379.db2.gz SAKFEGJEVSCZAY-OAGGEKHMSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCOc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000573689382 383973336 /nfs/dbraw/zinc/97/33/36/383973336.db2.gz QPUVNRWHHOGIFJ-UHFFFAOYSA-N 1 3 274.408 2.812 20 30 CFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCCC#N ZINC000273183464 385673429 /nfs/dbraw/zinc/67/34/29/385673429.db2.gz FKANEVLVFALTRS-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCCC#N ZINC000273183464 385673433 /nfs/dbraw/zinc/67/34/33/385673433.db2.gz FKANEVLVFALTRS-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO CCCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364256805 262191556 /nfs/dbraw/zinc/19/15/56/262191556.db2.gz ODJLKDCTGRYTCY-QGZVFWFLSA-N 1 3 281.488 2.669 20 30 CFEDHO CCCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364256805 262191557 /nfs/dbraw/zinc/19/15/57/262191557.db2.gz ODJLKDCTGRYTCY-QGZVFWFLSA-N 1 3 281.488 2.669 20 30 CFEDHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc(C#N)cc1 ZINC000278351034 394060824 /nfs/dbraw/zinc/06/08/24/394060824.db2.gz ZBYISKSJNNXEMK-QGZVFWFLSA-N 1 3 289.423 2.567 20 30 CFEDHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc(C#N)cc1 ZINC000278351034 394060826 /nfs/dbraw/zinc/06/08/26/394060826.db2.gz ZBYISKSJNNXEMK-QGZVFWFLSA-N 1 3 289.423 2.567 20 30 CFEDHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423455802 394282361 /nfs/dbraw/zinc/28/23/61/394282361.db2.gz CXLXDTGHUHJFRG-MQIPJXDCSA-N 1 3 257.381 2.651 20 30 CFEDHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC000362951918 156125248 /nfs/dbraw/zinc/12/52/48/156125248.db2.gz OREKHPBKWYLAOO-UHFFFAOYSA-N 1 3 271.408 2.640 20 30 CFEDHO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@H](C)N ZINC000423455800 287057703 /nfs/dbraw/zinc/05/77/03/287057703.db2.gz CXLXDTGHUHJFRG-HWWQOWPSSA-N 1 3 257.381 2.651 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000657872640 414015017 /nfs/dbraw/zinc/01/50/17/414015017.db2.gz OQURWTKIPGUEAD-MSOLQXFVSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(CC)CC1 ZINC000657835046 413987802 /nfs/dbraw/zinc/98/78/02/413987802.db2.gz RZOJPDFLYNUMTO-ROUUACIJSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000657837040 413991866 /nfs/dbraw/zinc/99/18/66/413991866.db2.gz XNZNRAYKQUVDNL-MSOLQXFVSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658002897 414097484 /nfs/dbraw/zinc/09/74/84/414097484.db2.gz PJLRQILFTKRASN-SJORKVTESA-N 1 3 293.499 2.737 20 30 CFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658002893 414099367 /nfs/dbraw/zinc/09/93/67/414099367.db2.gz PJLRQILFTKRASN-IAGOWNOFSA-N 1 3 293.499 2.737 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408288 260101430 /nfs/dbraw/zinc/10/14/30/260101430.db2.gz WCZIELBZPRJIBI-INIZCTEOSA-N 1 3 286.419 2.825 20 30 CFEDHO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000174871535 329164209 /nfs/dbraw/zinc/16/42/09/329164209.db2.gz OOOGWQLETZIEAM-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)(C#N)CCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000174871535 329164211 /nfs/dbraw/zinc/16/42/11/329164211.db2.gz OOOGWQLETZIEAM-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705520 325226972 /nfs/dbraw/zinc/22/69/72/325226972.db2.gz MZYLZKIGFWEYKQ-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705520 325226974 /nfs/dbraw/zinc/22/69/74/325226974.db2.gz MZYLZKIGFWEYKQ-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C#N)cc1 ZINC000582705520 325226976 /nfs/dbraw/zinc/22/69/76/325226976.db2.gz MZYLZKIGFWEYKQ-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO Cc1cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1C#N ZINC000583720718 325306224 /nfs/dbraw/zinc/30/62/24/325306224.db2.gz VRTROSUDGLSKAA-MSOLQXFVSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1C#N ZINC000583720718 325306228 /nfs/dbraw/zinc/30/62/28/325306228.db2.gz VRTROSUDGLSKAA-MSOLQXFVSA-N 1 3 283.419 2.783 20 30 CFEDHO C=CCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000568950661 327025206 /nfs/dbraw/zinc/02/52/06/327025206.db2.gz AVIHDHRFPDFAIY-BZUAXINKSA-N 1 3 266.429 2.526 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377935895 329035351 /nfs/dbraw/zinc/03/53/51/329035351.db2.gz AWPSAGQJFBNFEP-PMPSAXMXSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377935895 329035352 /nfs/dbraw/zinc/03/53/52/329035352.db2.gz AWPSAGQJFBNFEP-PMPSAXMXSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(C#N)CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174871535 329164207 /nfs/dbraw/zinc/16/42/07/329164207.db2.gz OOOGWQLETZIEAM-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO C=C(C)[C@@H](N[C@@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044810 330166805 /nfs/dbraw/zinc/16/68/05/330166805.db2.gz BCVOKNOZJYTVCO-XJKSGUPXSA-N 1 3 298.377 2.926 20 30 CFEDHO N#CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423153175 330173011 /nfs/dbraw/zinc/17/30/11/330173011.db2.gz GHFGGAOSLZESPQ-GVAFMPQTSA-N 1 3 255.365 2.803 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423165874 330173950 /nfs/dbraw/zinc/17/39/50/330173950.db2.gz BLWYJVQEOMGFMG-RBSFLKMASA-N 1 3 263.429 2.827 20 30 CFEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)CC#N ZINC000423172259 330174420 /nfs/dbraw/zinc/17/44/20/330174420.db2.gz SAILOWQUXMBXRX-KGLIPLIRSA-N 1 3 251.418 2.827 20 30 CFEDHO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424374271 330348400 /nfs/dbraw/zinc/34/84/00/330348400.db2.gz IAHGVRBTFIYGOM-HUUCEWRRSA-N 1 3 290.407 2.620 20 30 CFEDHO CC#CCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000482158501 331826037 /nfs/dbraw/zinc/82/60/37/331826037.db2.gz QHKUUDBSEBCTQU-UHFFFAOYSA-N 1 3 299.462 2.722 20 30 CFEDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cccc(C#N)c1 ZINC000423095161 534178699 /nfs/dbraw/zinc/17/86/99/534178699.db2.gz DLIYUGUCXSJKKB-HNAYVOBHSA-N 1 3 293.414 2.649 20 30 CFEDHO C[C@@H](NC1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000335014382 525397874 /nfs/dbraw/zinc/39/78/74/525397874.db2.gz ZPYZMZFMBLSKKS-QFWMXSHPSA-N 1 3 261.344 2.618 20 30 CFEDHO C=CCOc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352527036 526865667 /nfs/dbraw/zinc/86/56/67/526865667.db2.gz VLJMYSNKVXPRMX-INIZCTEOSA-N 1 3 274.408 2.955 20 30 CFEDHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736642 528682149 /nfs/dbraw/zinc/68/21/49/528682149.db2.gz RPZWCLCJKVKGGM-DOTOQJQBSA-N 1 3 299.418 2.517 20 30 CFEDHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)C#N ZINC000347736642 528682156 /nfs/dbraw/zinc/68/21/56/528682156.db2.gz RPZWCLCJKVKGGM-DOTOQJQBSA-N 1 3 299.418 2.517 20 30 CFEDHO C[N@@H+]1CCC[C@H](CCNCc2ccc(C#N)cc2F)C1 ZINC000459721860 536384716 /nfs/dbraw/zinc/38/47/16/536384716.db2.gz BFVWXDHKHPXOJL-CYBMUJFWSA-N 1 3 275.371 2.519 20 30 CFEDHO C[N@H+]1CCC[C@H](CCNCc2ccc(C#N)cc2F)C1 ZINC000459721860 536384719 /nfs/dbraw/zinc/38/47/19/536384719.db2.gz BFVWXDHKHPXOJL-CYBMUJFWSA-N 1 3 275.371 2.519 20 30 CFEDHO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)cc1 ZINC000733326246 574221423 /nfs/dbraw/zinc/22/14/23/574221423.db2.gz RJNMBNUERLGMQV-KRWDZBQOSA-N 1 3 286.419 2.520 20 30 CFEDHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000925778233 619099997 /nfs/dbraw/zinc/09/99/97/619099997.db2.gz SBPVKAMIPFYZHT-LSDHHAIUSA-N 1 3 293.361 2.844 20 30 CFEDHO C[NH+]1CCC([C@H]2CCN(Cc3csc(C#N)c3)C2)CC1 ZINC000894479879 619397074 /nfs/dbraw/zinc/39/70/74/619397074.db2.gz UOHHWIZDUUWECM-HNNXBMFYSA-N 1 3 289.448 2.783 20 30 CFEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000237491566 620414465 /nfs/dbraw/zinc/41/44/65/620414465.db2.gz FXXRFETUDCQDRG-GOEBONIOSA-N 1 3 299.418 2.551 20 30 CFEDHO CC[C@H]1CN(CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903746348 621432026 /nfs/dbraw/zinc/43/20/26/621432026.db2.gz GCEQEUMGIMFQSO-GJZGRUSLSA-N 1 3 263.429 2.910 20 30 CFEDHO N#CC1(CCCCN2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000903742469 621434805 /nfs/dbraw/zinc/43/48/05/621434805.db2.gz ACXNFPMDWKMHIM-INIZCTEOSA-N 1 3 261.413 2.536 20 30 CFEDHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000903823577 621449450 /nfs/dbraw/zinc/44/94/50/621449450.db2.gz HYRPWBUWKFZOFM-KDOFPFPSSA-N 1 3 283.419 2.593 20 30 CFEDHO N#CCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000916837251 624287626 /nfs/dbraw/zinc/28/76/26/624287626.db2.gz QWVLMYNZPWVOEX-UHFFFAOYSA-N 1 3 299.418 2.553 20 30 CFEDHO C#C[C@H](C)N(C)Cc1ccc(C[N@H+](C)[C@@H](C)C#C)cc1 ZINC000769961492 625934020 /nfs/dbraw/zinc/93/40/20/625934020.db2.gz LCWNWWGLVONSEU-HOTGVXAUSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@H](C)N(C)Cc1ccc(C[N@@H+](C)[C@@H](C)C#C)cc1 ZINC000769961492 625934023 /nfs/dbraw/zinc/93/40/23/625934023.db2.gz LCWNWWGLVONSEU-HOTGVXAUSA-N 1 3 268.404 2.594 20 30 CFEDHO C#CCCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844328870 632170857 /nfs/dbraw/zinc/17/08/57/632170857.db2.gz ZMZALCOWCDMUTJ-OAHLLOKOSA-N 1 3 276.449 2.834 20 30 CFEDHO C#CCCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844328870 632170860 /nfs/dbraw/zinc/17/08/60/632170860.db2.gz ZMZALCOWCDMUTJ-OAHLLOKOSA-N 1 3 276.449 2.834 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970147 632768778 /nfs/dbraw/zinc/76/87/78/632768778.db2.gz MQHDHYGLKVQDTL-NUEKZKHPSA-N 1 3 272.392 2.619 20 30 CFEDHO COc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1C#N ZINC000858153620 636141585 /nfs/dbraw/zinc/14/15/85/636141585.db2.gz PZOZQIZQUWXLSM-HNNXBMFYSA-N 1 3 287.407 2.529 20 30 CFEDHO C#CCCCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000877477223 643294356 /nfs/dbraw/zinc/29/43/56/643294356.db2.gz AKJZRRYFVHINCH-MRXNPFEDSA-N 1 3 250.430 2.986 20 30 CFEDHO C#CCCCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000877477223 643294361 /nfs/dbraw/zinc/29/43/61/643294361.db2.gz AKJZRRYFVHINCH-MRXNPFEDSA-N 1 3 250.430 2.986 20 30 CFEDHO CCCC[C@H](CC)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303713800 650999429 /nfs/dbraw/zinc/99/94/29/650999429.db2.gz QYUOVLZLPMYSQD-GJZGRUSLSA-N 1 3 282.476 2.591 20 30 CFEDHO C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)N2CCC[C@H](C)C2)C1 ZINC000303888804 651006179 /nfs/dbraw/zinc/00/61/79/651006179.db2.gz PEFSCLLPHJFBBT-GJZGRUSLSA-N 1 3 294.487 2.544 20 30 CFEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303888808 651006476 /nfs/dbraw/zinc/00/64/76/651006476.db2.gz PEFSCLLPHJFBBT-LSDHHAIUSA-N 1 3 294.487 2.544 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CCC)C1)[C@@H]1CCCO1 ZINC000883175460 645641858 /nfs/dbraw/zinc/64/18/58/645641858.db2.gz HXIXAVBCTHWPLW-IKGGRYGDSA-N 1 3 280.456 2.822 20 30 CFEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+](CCC(C)C)CC1 ZINC000926534729 648521908 /nfs/dbraw/zinc/52/19/08/648521908.db2.gz VPYSUDYAECWISG-SJORKVTESA-N 1 3 280.456 2.820 20 30 CFEDHO C[C@@H](CNC(=[NH2+])NC1CCCCCC1)N1CCC[C@H](C)C1 ZINC000305747781 651074792 /nfs/dbraw/zinc/07/47/92/651074792.db2.gz TYSWVLBWCTXXIQ-GJZGRUSLSA-N 1 3 294.487 2.734 20 30 CFEDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695793044 776013054 /nfs/dbraw/zinc/01/30/54/776013054.db2.gz XEKILURIZCFZHQ-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695793044 776013061 /nfs/dbraw/zinc/01/30/61/776013061.db2.gz XEKILURIZCFZHQ-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000695793044 776013066 /nfs/dbraw/zinc/01/30/66/776013066.db2.gz XEKILURIZCFZHQ-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO C#C[C@H]1CCCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146214 777450998 /nfs/dbraw/zinc/45/09/98/777450998.db2.gz LVOWGTDFHZZYBH-AWEZNQCLSA-N 1 3 274.383 2.733 20 30 CFEDHO CCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235404052 778477830 /nfs/dbraw/zinc/47/78/30/778477830.db2.gz MBOXFDQXZXPBCI-GJZGRUSLSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235404052 778477832 /nfs/dbraw/zinc/47/78/32/778477832.db2.gz MBOXFDQXZXPBCI-GJZGRUSLSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404052 778477835 /nfs/dbraw/zinc/47/78/35/778477835.db2.gz MBOXFDQXZXPBCI-GJZGRUSLSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCN(Cc1ccc(C#N)c(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844930 778963292 /nfs/dbraw/zinc/96/32/92/778963292.db2.gz XNHJRYBUOJKORY-MRXNPFEDSA-N 1 3 285.435 2.942 20 30 CFEDHO C[NH+]1C[C@@]2(C)CN(CCCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000706252045 781164033 /nfs/dbraw/zinc/16/40/33/781164033.db2.gz BDYYQNBRJHEIDI-IRXDYDNUSA-N 1 3 277.456 2.980 20 30 CFEDHO N#Cc1ccc(CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000595289061 349590837 /nfs/dbraw/zinc/59/08/37/349590837.db2.gz DAPDHRITHILOJU-UHFFFAOYSA-N 1 3 297.446 2.909 20 30 CFEDHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344438 349606632 /nfs/dbraw/zinc/60/66/32/349606632.db2.gz FICHUYMVGPZIIO-QZTJIDSGSA-N 1 3 283.419 2.517 20 30 CFEDHO C[N@H+]1CCC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344438 349606636 /nfs/dbraw/zinc/60/66/36/349606636.db2.gz FICHUYMVGPZIIO-QZTJIDSGSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344438 349606639 /nfs/dbraw/zinc/60/66/39/349606639.db2.gz FICHUYMVGPZIIO-QZTJIDSGSA-N 1 3 283.419 2.517 20 30 CFEDHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000595344438 349606642 /nfs/dbraw/zinc/60/66/42/349606642.db2.gz FICHUYMVGPZIIO-QZTJIDSGSA-N 1 3 283.419 2.517 20 30 CFEDHO C[C@@H]1CN(CC2CC[NH+](CCCCC#N)CC2)C[C@@H](C)O1 ZINC000069016833 346879746 /nfs/dbraw/zinc/87/97/46/346879746.db2.gz CQZFMXLVOBWYFD-HZPDHXFCSA-N 1 3 293.455 2.501 20 30 CFEDHO CCNC(NCc1ccccc1CN(CC)CC)=[NH+]CC ZINC000066242425 346751272 /nfs/dbraw/zinc/75/12/72/346751272.db2.gz QMVNFBRZBJUUMV-UHFFFAOYSA-N 1 3 290.455 2.603 20 30 CFEDHO CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000589344081 348828491 /nfs/dbraw/zinc/82/84/91/348828491.db2.gz UNEJEJWTKBTVFU-ILXRZTDVSA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000589344081 348828494 /nfs/dbraw/zinc/82/84/94/348828494.db2.gz UNEJEJWTKBTVFU-ILXRZTDVSA-N 1 3 251.418 2.779 20 30 CFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000591578387 349031807 /nfs/dbraw/zinc/03/18/07/349031807.db2.gz YPAUMUOCTJDMTH-INMHGKMJSA-N 1 3 269.392 2.795 20 30 CFEDHO Cc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)ccc1C#N ZINC000598994811 350356850 /nfs/dbraw/zinc/35/68/50/350356850.db2.gz SIVVCDWWDJWHPS-MRXNPFEDSA-N 1 3 271.408 2.688 20 30 CFEDHO CC[NH2+]CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000600701922 350598038 /nfs/dbraw/zinc/59/80/38/350598038.db2.gz HTVDXBDVLQPTNY-UHFFFAOYSA-N 1 3 271.408 2.688 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000602477585 350898694 /nfs/dbraw/zinc/89/86/94/350898694.db2.gz TUIWZCZNTPQZPQ-JKSUJKDBSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000602477585 350898700 /nfs/dbraw/zinc/89/87/00/350898700.db2.gz TUIWZCZNTPQZPQ-JKSUJKDBSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@@H](CCC#N)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602477585 350898702 /nfs/dbraw/zinc/89/87/02/350898702.db2.gz TUIWZCZNTPQZPQ-JKSUJKDBSA-N 1 3 263.429 2.734 20 30 CFEDHO C[C@@H](C[NH2+]C1CCC(C#N)CC1)CN1CCCCC1 ZINC000602517263 350912249 /nfs/dbraw/zinc/91/22/49/350912249.db2.gz DQSVRAMRCHGKOG-FHERZECASA-N 1 3 263.429 2.780 20 30 CFEDHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)CCC#N)C1 ZINC000602474287 350896214 /nfs/dbraw/zinc/89/62/14/350896214.db2.gz GHZMVZCOUXOMAA-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602474287 350896216 /nfs/dbraw/zinc/89/62/16/350896216.db2.gz GHZMVZCOUXOMAA-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602474287 350896218 /nfs/dbraw/zinc/89/62/18/350896218.db2.gz GHZMVZCOUXOMAA-CABCVRRESA-N 1 3 251.418 2.590 20 30 CFEDHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602656381 350963411 /nfs/dbraw/zinc/96/34/11/350963411.db2.gz SYXBTGAJQYKBFZ-HOTGVXAUSA-N 1 3 293.455 2.549 20 30 CFEDHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602656381 350963415 /nfs/dbraw/zinc/96/34/15/350963415.db2.gz SYXBTGAJQYKBFZ-HOTGVXAUSA-N 1 3 293.455 2.549 20 30 CFEDHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000611388859 351679466 /nfs/dbraw/zinc/67/94/66/351679466.db2.gz KUQVCMNTOPUJLX-CZUORRHYSA-N 1 3 257.381 2.693 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000618806123 352884247 /nfs/dbraw/zinc/88/42/47/352884247.db2.gz OBOWHQQPFNJNDM-ISTRZQFTSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000618806123 352884249 /nfs/dbraw/zinc/88/42/49/352884249.db2.gz OBOWHQQPFNJNDM-ISTRZQFTSA-N 1 3 269.392 2.618 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423281680 283198709 /nfs/dbraw/zinc/19/87/09/283198709.db2.gz UJGMUKAYVUFBGV-DJIMGWMZSA-N 1 3 269.392 2.653 20 30 CFEDHO C=CCCC[C@@H](C)[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000574336258 335011679 /nfs/dbraw/zinc/01/16/79/335011679.db2.gz BEWCJDKKWPWEME-OAHLLOKOSA-N 1 3 268.445 2.556 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644418 372681922 /nfs/dbraw/zinc/68/19/22/372681922.db2.gz YANBGHFCZOMOFL-GJZGRUSLSA-N 1 3 287.407 2.581 20 30 CFEDHO CCCCNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264140168 383699532 /nfs/dbraw/zinc/69/95/32/383699532.db2.gz WHXLITNRAGZBPM-UHFFFAOYSA-N 1 3 290.455 2.731 20 30 CFEDHO C[NH+]1CCC([C@@H]2CCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000335673950 379700985 /nfs/dbraw/zinc/70/09/85/379700985.db2.gz IBPUDRHPZSJNSS-OAHLLOKOSA-N 1 3 289.448 2.783 20 30 CFEDHO C=C(C)C[NH+]1CCC(NCc2ccc(COC)cc2)CC1 ZINC000174363009 379870429 /nfs/dbraw/zinc/87/04/29/379870429.db2.gz MGAXIMIUVVDOCC-UHFFFAOYSA-N 1 3 288.435 2.963 20 30 CFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008601 379978370 /nfs/dbraw/zinc/97/83/70/379978370.db2.gz ITRTZUUISFVHNK-JKSUJKDBSA-N 1 3 257.381 2.521 20 30 CFEDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181875190 380923606 /nfs/dbraw/zinc/92/36/06/380923606.db2.gz RSZVKTJLMZENIT-WMLDXEAASA-N 1 3 289.423 2.566 20 30 CFEDHO C#C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000289630480 381077327 /nfs/dbraw/zinc/07/73/27/381077327.db2.gz WVLOEQKQYQOSQQ-DZOHQFGASA-N 1 3 268.404 2.508 20 30 CFEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000290068722 381287061 /nfs/dbraw/zinc/28/70/61/381287061.db2.gz PUBLLAPMJHFLTL-YJBOKZPZSA-N 1 3 270.420 2.830 20 30 CFEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000290068722 381287064 /nfs/dbraw/zinc/28/70/64/381287064.db2.gz PUBLLAPMJHFLTL-YJBOKZPZSA-N 1 3 270.420 2.830 20 30 CFEDHO C=CCNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184743391 381472012 /nfs/dbraw/zinc/47/20/12/381472012.db2.gz SQMRIHQNROGIMH-FKEKPDDDSA-N 1 3 258.409 2.919 20 30 CFEDHO C=CCNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184743391 381472017 /nfs/dbraw/zinc/47/20/17/381472017.db2.gz SQMRIHQNROGIMH-FKEKPDDDSA-N 1 3 258.409 2.919 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@@H](NCC(C)(C)CC#N)[C@@H](C)C1 ZINC000414166334 381565380 /nfs/dbraw/zinc/56/53/80/381565380.db2.gz NIMODUFEMVQVBQ-JKSUJKDBSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)CC#N)[C@@H](C)C1 ZINC000414166334 381565386 /nfs/dbraw/zinc/56/53/86/381565386.db2.gz NIMODUFEMVQVBQ-JKSUJKDBSA-N 1 3 295.471 2.653 20 30 CFEDHO CN(C)CC1(C[NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000185291989 381587791 /nfs/dbraw/zinc/58/77/91/381587791.db2.gz WSDKLWKYRWSRGP-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO C#CCCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292812958 381846008 /nfs/dbraw/zinc/84/60/08/381846008.db2.gz OZNSVEZQZTZZNK-IBGZPJMESA-N 1 3 298.430 2.616 20 30 CFEDHO C#CCCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292812958 381846018 /nfs/dbraw/zinc/84/60/18/381846018.db2.gz OZNSVEZQZTZZNK-IBGZPJMESA-N 1 3 298.430 2.616 20 30 CFEDHO CCCC[N@H+](C)C[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000344106864 382134170 /nfs/dbraw/zinc/13/41/70/382134170.db2.gz UNEJEJWTKBTVFU-ZNMIVQPWSA-N 1 3 251.418 2.779 20 30 CFEDHO CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000344106864 382134177 /nfs/dbraw/zinc/13/41/77/382134177.db2.gz UNEJEJWTKBTVFU-ZNMIVQPWSA-N 1 3 251.418 2.779 20 30 CFEDHO CC(C#N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000345763210 382311880 /nfs/dbraw/zinc/31/18/80/382311880.db2.gz MWEVIZUENVZKKZ-OAHLLOKOSA-N 1 3 299.418 2.838 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346848493 382542316 /nfs/dbraw/zinc/54/23/16/382542316.db2.gz DVAQAKAVTUKIOT-RYQLBKOJSA-N 1 3 286.419 2.811 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399147901 382637604 /nfs/dbraw/zinc/63/76/04/382637604.db2.gz XPTVSXBWZQQROZ-UHFFFAOYSA-N 1 3 271.408 2.717 20 30 CFEDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442764201 382953114 /nfs/dbraw/zinc/95/31/14/382953114.db2.gz CNNBIDMYUTXCSQ-RHSMWYFYSA-N 1 3 271.408 2.920 20 30 CFEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442764201 382953117 /nfs/dbraw/zinc/95/31/17/382953117.db2.gz CNNBIDMYUTXCSQ-RHSMWYFYSA-N 1 3 271.408 2.920 20 30 CFEDHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccc(C#N)cc1F ZINC000423033518 383022488 /nfs/dbraw/zinc/02/24/88/383022488.db2.gz ONGRSHRZGRWXFX-RYUDHWBXSA-N 1 3 263.360 2.865 20 30 CFEDHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472346 383109521 /nfs/dbraw/zinc/10/95/21/383109521.db2.gz NENIGPYUWCEMFG-UBHSHLNASA-N 1 3 275.371 2.865 20 30 CFEDHO C[C@H]1C[C@H](CCNCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117359 383183732 /nfs/dbraw/zinc/18/37/32/383183732.db2.gz UNKYUVAGXKHOOY-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H]1C[C@H](CCNCCC#N)C[N@H+]1Cc1ccccc1 ZINC000566117359 383183741 /nfs/dbraw/zinc/18/37/41/383183741.db2.gz UNKYUVAGXKHOOY-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174714 383162477 /nfs/dbraw/zinc/16/24/77/383162477.db2.gz QDQSGINDLRTPIP-OAOQPFQOSA-N 1 3 297.402 2.524 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCC[C@@H](C#N)C1 ZINC000248859595 383299672 /nfs/dbraw/zinc/29/96/72/383299672.db2.gz PPNBTWFAUSMTMS-OAGGEKHMSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[C@@H](C#N)C1 ZINC000248859595 383299674 /nfs/dbraw/zinc/29/96/74/383299674.db2.gz PPNBTWFAUSMTMS-OAGGEKHMSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248859595 383299679 /nfs/dbraw/zinc/29/96/79/383299679.db2.gz PPNBTWFAUSMTMS-OAGGEKHMSA-N 1 3 263.429 2.923 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449694688 383360810 /nfs/dbraw/zinc/36/08/10/383360810.db2.gz CDLLUNJVMKFTIH-MRXNPFEDSA-N 1 3 280.456 2.700 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449694688 383360813 /nfs/dbraw/zinc/36/08/13/383360813.db2.gz CDLLUNJVMKFTIH-MRXNPFEDSA-N 1 3 280.456 2.700 20 30 CFEDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C#N)cc1 ZINC000270615448 385165023 /nfs/dbraw/zinc/16/50/23/385165023.db2.gz OBBGSJBAQYMGEZ-UHFFFAOYSA-N 1 3 271.408 2.866 20 30 CFEDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C#N)cc1 ZINC000270615448 385165028 /nfs/dbraw/zinc/16/50/28/385165028.db2.gz OBBGSJBAQYMGEZ-UHFFFAOYSA-N 1 3 271.408 2.866 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085123 393816714 /nfs/dbraw/zinc/81/67/14/393816714.db2.gz PCQVNNMOWNMTRX-CAOSSQGBSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339085123 393816718 /nfs/dbraw/zinc/81/67/18/393816718.db2.gz PCQVNNMOWNMTRX-CAOSSQGBSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000339085123 393816721 /nfs/dbraw/zinc/81/67/21/393816721.db2.gz PCQVNNMOWNMTRX-CAOSSQGBSA-N 1 3 275.440 2.921 20 30 CFEDHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277191 394275924 /nfs/dbraw/zinc/27/59/24/394275924.db2.gz NWDXPEJGZBQBAA-PEYYIBSZSA-N 1 3 275.371 2.865 20 30 CFEDHO C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000348027807 397657721 /nfs/dbraw/zinc/65/77/21/397657721.db2.gz GKTKGPJQWWBEHT-JKSUJKDBSA-N 1 3 280.456 2.822 20 30 CFEDHO C=CCOc1cccc(CNCC[C@@H]([NH3+])C(C)C)c1 ZINC000663497573 413242434 /nfs/dbraw/zinc/24/24/34/413242434.db2.gz CCPDUCRPEVCLPW-MRXNPFEDSA-N 1 3 262.397 2.714 20 30 CFEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658140017 414234284 /nfs/dbraw/zinc/23/42/84/414234284.db2.gz RWIQZIYQRQILKK-YJBOKZPZSA-N 1 3 288.435 2.698 20 30 CFEDHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044534998 175198193 /nfs/dbraw/zinc/19/81/93/175198193.db2.gz TZCCZCSSZDAOHU-ZFWWWQNUSA-N 1 3 257.381 2.551 20 30 CFEDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000044534998 175198195 /nfs/dbraw/zinc/19/81/95/175198195.db2.gz TZCCZCSSZDAOHU-ZFWWWQNUSA-N 1 3 257.381 2.551 20 30 CFEDHO CC(C#N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000347101200 226049653 /nfs/dbraw/zinc/04/96/53/226049653.db2.gz GWIKPWGFKBHFIB-GJZGRUSLSA-N 1 3 299.418 2.926 20 30 CFEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309978732 262065990 /nfs/dbraw/zinc/06/59/90/262065990.db2.gz TUOKKYJLLZLQDR-DOTOQJQBSA-N 1 3 299.418 2.565 20 30 CFEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309978732 262065993 /nfs/dbraw/zinc/06/59/93/262065993.db2.gz TUOKKYJLLZLQDR-DOTOQJQBSA-N 1 3 299.418 2.565 20 30 CFEDHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000336820649 262397323 /nfs/dbraw/zinc/39/73/23/262397323.db2.gz DVIXEOSEAKQQHQ-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000336820649 262397325 /nfs/dbraw/zinc/39/73/25/262397325.db2.gz DVIXEOSEAKQQHQ-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO N#CCCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280617912 263063312 /nfs/dbraw/zinc/06/33/12/263063312.db2.gz YBGQAKOIFFSEHA-HDICACEKSA-N 1 3 283.419 2.744 20 30 CFEDHO N#CCCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280617912 263063313 /nfs/dbraw/zinc/06/33/13/263063313.db2.gz YBGQAKOIFFSEHA-HDICACEKSA-N 1 3 283.419 2.744 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000341891068 263364038 /nfs/dbraw/zinc/36/40/38/263364038.db2.gz UYWSYTFFVLCUHR-BQFCYCMXSA-N 1 3 294.483 2.804 20 30 CFEDHO CC[N@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC1CC1 ZINC000356890444 266207488 /nfs/dbraw/zinc/20/74/88/266207488.db2.gz GYGSASYFHPRCKQ-AWEZNQCLSA-N 1 3 291.439 2.507 20 30 CFEDHO CC[N@@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC1CC1 ZINC000356890444 266207492 /nfs/dbraw/zinc/20/74/92/266207492.db2.gz GYGSASYFHPRCKQ-AWEZNQCLSA-N 1 3 291.439 2.507 20 30 CFEDHO CN(C)C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411267148 328081430 /nfs/dbraw/zinc/08/14/30/328081430.db2.gz KZKPUZIMGJIWRO-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO CN(C)C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411267148 328081432 /nfs/dbraw/zinc/08/14/32/328081432.db2.gz KZKPUZIMGJIWRO-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO C=C(C)C[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000353165334 328189650 /nfs/dbraw/zinc/18/96/50/328189650.db2.gz SWGJJVFVHKLJBC-UHFFFAOYSA-N 1 3 287.451 2.836 20 30 CFEDHO C=C(C)C[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000353165334 328189651 /nfs/dbraw/zinc/18/96/51/328189651.db2.gz SWGJJVFVHKLJBC-UHFFFAOYSA-N 1 3 287.451 2.836 20 30 CFEDHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705519 325226827 /nfs/dbraw/zinc/22/68/27/325226827.db2.gz MZYLZKIGFWEYKQ-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705519 325226830 /nfs/dbraw/zinc/22/68/30/325226830.db2.gz MZYLZKIGFWEYKQ-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C#N)cc1 ZINC000582705519 325226832 /nfs/dbraw/zinc/22/68/32/325226832.db2.gz MZYLZKIGFWEYKQ-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO C=CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510287 329185285 /nfs/dbraw/zinc/18/52/85/329185285.db2.gz GXKJKLSCNBXVGJ-IYBDPMFKSA-N 1 3 280.456 2.774 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821673 329330008 /nfs/dbraw/zinc/33/00/08/329330008.db2.gz VKOJDEXGOMKSAE-ARFHVFGLSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821673 329330009 /nfs/dbraw/zinc/33/00/09/329330009.db2.gz VKOJDEXGOMKSAE-ARFHVFGLSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821673 329330010 /nfs/dbraw/zinc/33/00/10/329330010.db2.gz VKOJDEXGOMKSAE-ARFHVFGLSA-N 1 3 263.429 2.779 20 30 CFEDHO C=C(C)[C@H](N[C@@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044807 330166885 /nfs/dbraw/zinc/16/68/85/330166885.db2.gz BCVOKNOZJYTVCO-BBRMVZONSA-N 1 3 298.377 2.926 20 30 CFEDHO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000423213237 330178484 /nfs/dbraw/zinc/17/84/84/330178484.db2.gz NBTDQQCJMWYJHC-IPJUCJBFSA-N 1 3 297.446 2.980 20 30 CFEDHO CC#CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309741916 333048455 /nfs/dbraw/zinc/04/84/55/333048455.db2.gz WEDXAFRDLVDTDS-GUDVDZBRSA-N 1 3 282.431 2.900 20 30 CFEDHO CC1(C)CC(N[C@@H]2CCC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613462 333236839 /nfs/dbraw/zinc/23/68/39/333236839.db2.gz WFEFFEOHUSXPLI-CHWSQXEVSA-N 1 3 263.429 2.968 20 30 CFEDHO CC1(C)CC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC(C)(C)N1 ZINC000192613462 333236841 /nfs/dbraw/zinc/23/68/41/333236841.db2.gz WFEFFEOHUSXPLI-CHWSQXEVSA-N 1 3 263.429 2.968 20 30 CFEDHO C=CCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000576345471 335192450 /nfs/dbraw/zinc/19/24/50/335192450.db2.gz DJWLCRQAIGDCJJ-UHFFFAOYSA-N 1 3 293.499 2.692 20 30 CFEDHO N#C[C@H]1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000192700016 534749075 /nfs/dbraw/zinc/74/90/75/534749075.db2.gz XAXHKRCRWGEROP-GOEBONIOSA-N 1 3 261.413 2.533 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000113320944 526743391 /nfs/dbraw/zinc/74/33/91/526743391.db2.gz QWTBEZGREWBALO-KRWDZBQOSA-N 1 3 298.430 2.663 20 30 CFEDHO C=CCOc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347078570 526897965 /nfs/dbraw/zinc/89/79/65/526897965.db2.gz WBLCGGAGQMJVQQ-CQSZACIVSA-N 1 3 274.408 2.811 20 30 CFEDHO C#CCOc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)cc1 ZINC000733326247 574221804 /nfs/dbraw/zinc/22/18/04/574221804.db2.gz RJNMBNUERLGMQV-QGZVFWFLSA-N 1 3 286.419 2.520 20 30 CFEDHO C#CCN(CC)Cc1ccccc1C[N@H+](CC)CC#C ZINC000749154915 574282391 /nfs/dbraw/zinc/28/23/91/574282391.db2.gz IPWDLHOFPQZRCO-UHFFFAOYSA-N 1 3 268.404 2.597 20 30 CFEDHO C#CCN(CC)Cc1ccccc1C[N@@H+](CC)CC#C ZINC000749154915 574282393 /nfs/dbraw/zinc/28/23/93/574282393.db2.gz IPWDLHOFPQZRCO-UHFFFAOYSA-N 1 3 268.404 2.597 20 30 CFEDHO C=C(CC[NH+](C)C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000901230390 620767988 /nfs/dbraw/zinc/76/79/88/620767988.db2.gz OWLYHFFJDBSGTE-UHFFFAOYSA-N 1 3 289.423 2.503 20 30 CFEDHO CC1(C)C[C@@H](NCc2ccc(C#N)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925694556 618941418 /nfs/dbraw/zinc/94/14/18/618941418.db2.gz UORFGZRUZVAYGY-KGLIPLIRSA-N 1 3 275.371 2.693 20 30 CFEDHO C[NH+]1CCC([C@@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC000894478982 619397451 /nfs/dbraw/zinc/39/74/51/619397451.db2.gz HPOJHGYZKQHFKN-LJQANCHMSA-N 1 3 282.431 2.702 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000903458613 621379704 /nfs/dbraw/zinc/37/97/04/621379704.db2.gz FOHBNNDXWMKXBS-LRDDRELGSA-N 1 3 271.408 2.592 20 30 CFEDHO N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@]3(N)C2)CCC1 ZINC000903770278 621437752 /nfs/dbraw/zinc/43/77/52/621437752.db2.gz WHXUXVUJDGQNLW-HOCLYGCPSA-N 1 3 261.413 2.664 20 30 CFEDHO N#CC1(CCCC[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)CCC1 ZINC000903770278 621437757 /nfs/dbraw/zinc/43/77/57/621437757.db2.gz WHXUXVUJDGQNLW-HOCLYGCPSA-N 1 3 261.413 2.664 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903954995 621489763 /nfs/dbraw/zinc/48/97/63/621489763.db2.gz XUDIWDIYZSCOCX-AWEZNQCLSA-N 1 3 296.361 2.586 20 30 CFEDHO C[NH+](C)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929637308 623498206 /nfs/dbraw/zinc/49/82/06/623498206.db2.gz HJIRDLZSEZLPGZ-OAHLLOKOSA-N 1 3 263.429 2.734 20 30 CFEDHO C#Cc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000825227066 623653643 /nfs/dbraw/zinc/65/36/43/623653643.db2.gz PPWOPRXWDGGYDC-UHFFFAOYSA-N 1 3 268.404 2.632 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CNC1CC[NH+](C2CC2)CC1 ZINC000921509386 625790855 /nfs/dbraw/zinc/79/08/55/625790855.db2.gz RVOHZAPLCPMLJP-UHFFFAOYSA-N 1 3 283.419 2.892 20 30 CFEDHO CC(C)ON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000835004758 625952574 /nfs/dbraw/zinc/95/25/74/625952574.db2.gz ZFGJDTOUCNUDDB-UHFFFAOYSA-N 1 3 289.423 2.976 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000921528243 625978774 /nfs/dbraw/zinc/97/87/74/625978774.db2.gz RMFGVDSHUJLTAO-HNNXBMFYSA-N 1 3 283.419 2.749 20 30 CFEDHO C=CCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000772856803 627751701 /nfs/dbraw/zinc/75/17/01/627751701.db2.gz RMZWHKBPGDEXEJ-QZTJIDSGSA-N 1 3 288.435 2.740 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000796836677 629976306 /nfs/dbraw/zinc/97/63/06/629976306.db2.gz KKHCFTYJEUVPDQ-BRWVUGGUSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000796836677 629976310 /nfs/dbraw/zinc/97/63/10/629976310.db2.gz KKHCFTYJEUVPDQ-BRWVUGGUSA-N 1 3 299.418 2.529 20 30 CFEDHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969350 632768239 /nfs/dbraw/zinc/76/82/39/632768239.db2.gz CASGEMCUTMUPOB-AEGPPILISA-N 1 3 273.380 2.509 20 30 CFEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000817971251 632771378 /nfs/dbraw/zinc/77/13/78/632771378.db2.gz LHZVBFSGYFJOKX-VXGBXAGGSA-N 1 3 268.788 2.816 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000876989250 643095372 /nfs/dbraw/zinc/09/53/72/643095372.db2.gz WMVNNMVRFBTHTC-INIZCTEOSA-N 1 3 250.430 2.892 20 30 CFEDHO CN(Cc1ccc(C[NH+](C)C)cc1)CC1(CC#N)CC1 ZINC000878314917 643835811 /nfs/dbraw/zinc/83/58/11/643835811.db2.gz ZYCYACSNBHUYKH-UHFFFAOYSA-N 1 3 271.408 2.874 20 30 CFEDHO C[C@@H]1CCCN(C(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)C1 ZINC000303891228 651006508 /nfs/dbraw/zinc/00/65/08/651006508.db2.gz QLTDWLZAANIARV-INMHGKMJSA-N 1 3 294.487 2.544 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000883389887 645788496 /nfs/dbraw/zinc/78/84/96/645788496.db2.gz BBEZUWFBRKNKKY-CGTJXYLNSA-N 1 3 294.483 2.946 20 30 CFEDHO CC(C)CCN1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000926346252 648468272 /nfs/dbraw/zinc/46/82/72/648468272.db2.gz UFGLNYSNIAZIFC-UHFFFAOYSA-N 1 3 263.429 2.780 20 30 CFEDHO CN1CCC[C@H](C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929698840 649100358 /nfs/dbraw/zinc/10/03/58/649100358.db2.gz AMYDOSCKDIDRNG-ZDUSSCGKSA-N 1 3 291.826 2.985 20 30 CFEDHO CN1CCC[C@H](C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929698840 649100359 /nfs/dbraw/zinc/10/03/59/649100359.db2.gz AMYDOSCKDIDRNG-ZDUSSCGKSA-N 1 3 291.826 2.985 20 30 CFEDHO C#CC[N@H+](C)CCCNCc1ccccc1C(F)(F)F ZINC000328146653 775729534 /nfs/dbraw/zinc/72/95/34/775729534.db2.gz DDCXKCBLRGUWKF-UHFFFAOYSA-N 1 3 284.325 2.750 20 30 CFEDHO C#CC[N@@H+](C)CCCNCc1ccccc1C(F)(F)F ZINC000328146653 775729540 /nfs/dbraw/zinc/72/95/40/775729540.db2.gz DDCXKCBLRGUWKF-UHFFFAOYSA-N 1 3 284.325 2.750 20 30 CFEDHO C#CC1CCN(Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232150212 777453293 /nfs/dbraw/zinc/45/32/93/777453293.db2.gz UOCWNADRFORDRU-UHFFFAOYSA-N 1 3 274.383 2.733 20 30 CFEDHO C#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000175008949 779537237 /nfs/dbraw/zinc/53/72/37/779537237.db2.gz FUMPILHIXMXGIY-DLBZAZTESA-N 1 3 286.419 2.661 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295033737 199310869 /nfs/dbraw/zinc/31/08/69/199310869.db2.gz OVUXUCBKFMAWAF-INIZCTEOSA-N 1 3 289.379 2.591 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295033737 199310871 /nfs/dbraw/zinc/31/08/71/199310871.db2.gz OVUXUCBKFMAWAF-INIZCTEOSA-N 1 3 289.379 2.591 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295033741 199311509 /nfs/dbraw/zinc/31/15/09/199311509.db2.gz OVUXUCBKFMAWAF-MRXNPFEDSA-N 1 3 289.379 2.591 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295033741 199311511 /nfs/dbraw/zinc/31/15/11/199311511.db2.gz OVUXUCBKFMAWAF-MRXNPFEDSA-N 1 3 289.379 2.591 20 30 CFEDHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(C#N)cc1 ZINC000596648162 349967798 /nfs/dbraw/zinc/96/77/98/349967798.db2.gz KCGLGMBFZXAYJG-HNNXBMFYSA-N 1 3 257.381 2.870 20 30 CFEDHO C[NH2+]C[C@H](C)NC1CCC(C#N)(c2ccccc2)CC1 ZINC000596652077 349968764 /nfs/dbraw/zinc/96/87/64/349968764.db2.gz GJXCFSNIRUWOOF-OOHWJJMZSA-N 1 3 271.408 2.588 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093538188 347678574 /nfs/dbraw/zinc/67/85/74/347678574.db2.gz KPHRVMQUNUXHOH-BZUAXINKSA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093538188 347678577 /nfs/dbraw/zinc/67/85/77/347678577.db2.gz KPHRVMQUNUXHOH-BZUAXINKSA-N 1 3 275.440 2.732 20 30 CFEDHO C[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000404381762 348591571 /nfs/dbraw/zinc/59/15/71/348591571.db2.gz MRBYJACNOAXUPK-CJNGLKHVSA-N 1 3 257.381 2.508 20 30 CFEDHO C[NH2+]Cc1ccccc1CNCc1ccc(C#N)c(OC)c1 ZINC000593318972 349246913 /nfs/dbraw/zinc/24/69/13/349246913.db2.gz SUUAGBHPCALLQR-UHFFFAOYSA-N 1 3 295.386 2.576 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@H]1CCC[C@H](C#N)C1 ZINC000593646944 349303662 /nfs/dbraw/zinc/30/36/62/349303662.db2.gz UKGIKRGDQPVKPK-GJZGRUSLSA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@H](C#N)C1 ZINC000593646944 349303664 /nfs/dbraw/zinc/30/36/64/349303664.db2.gz UKGIKRGDQPVKPK-GJZGRUSLSA-N 1 3 251.418 2.636 20 30 CFEDHO CN1CC=C(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594500412 349432354 /nfs/dbraw/zinc/43/23/54/349432354.db2.gz LZEDEQGJQWKGTH-UHFFFAOYSA-N 1 3 283.419 2.839 20 30 CFEDHO C[C@H]1CC2(CN1Cc1ccccc1C#N)CC[NH2+]CC2 ZINC000598683278 350310148 /nfs/dbraw/zinc/31/01/48/350310148.db2.gz RBUIFQLFVCFEEM-AWEZNQCLSA-N 1 3 269.392 2.522 20 30 CFEDHO CC(C)[NH+]1CCC(N[C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602502692 350907285 /nfs/dbraw/zinc/90/72/85/350907285.db2.gz MVHSTZDGAJONDX-OAHLLOKOSA-N 1 3 293.455 2.548 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602543357 350918476 /nfs/dbraw/zinc/91/84/76/350918476.db2.gz BVSYCOJQSRUIQO-HUUCEWRRSA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544625 350919204 /nfs/dbraw/zinc/91/92/04/350919204.db2.gz NELXIPVBPXKPKM-HWOWSKLDSA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@H](CCC#N)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000602439371 350882427 /nfs/dbraw/zinc/88/24/27/350882427.db2.gz ZRHPELHNTMVELA-OAHLLOKOSA-N 1 3 263.429 2.877 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000602592676 350938667 /nfs/dbraw/zinc/93/86/67/350938667.db2.gz JVYUPZBOUWGGHA-AWEZNQCLSA-N 1 3 259.397 2.778 20 30 CFEDHO CCC1(N(C)C)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602738486 351009312 /nfs/dbraw/zinc/00/93/12/351009312.db2.gz KTSPAXLMJHUTEZ-AWEZNQCLSA-N 1 3 251.418 2.732 20 30 CFEDHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391173 351680210 /nfs/dbraw/zinc/68/02/10/351680210.db2.gz YOBVIBWIYGUGNM-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391173 351680214 /nfs/dbraw/zinc/68/02/14/351680214.db2.gz YOBVIBWIYGUGNM-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391173 351680218 /nfs/dbraw/zinc/68/02/18/351680218.db2.gz YOBVIBWIYGUGNM-MAUKXSAKSA-N 1 3 283.419 2.867 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1OC ZINC000291724080 198070864 /nfs/dbraw/zinc/07/08/64/198070864.db2.gz MYLHGUFWBYVGFI-CQSZACIVSA-N 1 3 292.423 2.547 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000618806124 352884317 /nfs/dbraw/zinc/88/43/17/352884317.db2.gz OBOWHQQPFNJNDM-PVUWLOKVSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000618806124 352884318 /nfs/dbraw/zinc/88/43/18/352884318.db2.gz OBOWHQQPFNJNDM-PVUWLOKVSA-N 1 3 269.392 2.618 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411895 188016776 /nfs/dbraw/zinc/01/67/76/188016776.db2.gz OXNWMZNLHAQVBX-HZPDHXFCSA-N 1 3 298.430 2.834 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152411895 188016778 /nfs/dbraw/zinc/01/67/78/188016778.db2.gz OXNWMZNLHAQVBX-HZPDHXFCSA-N 1 3 298.430 2.834 20 30 CFEDHO Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)CN(C)C)c1 ZINC000264112056 383696771 /nfs/dbraw/zinc/69/67/71/383696771.db2.gz PAPONKZIFWOGIH-UHFFFAOYSA-N 1 3 276.428 2.618 20 30 CFEDHO C=C(C)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000119630419 376446830 /nfs/dbraw/zinc/44/68/30/376446830.db2.gz NRDVHPLZJMWNNQ-UHFFFAOYSA-N 1 3 287.451 2.883 20 30 CFEDHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C#N)cc1 ZINC000278698972 194109473 /nfs/dbraw/zinc/10/94/73/194109473.db2.gz KUSLIHWIGYWUSC-QGZVFWFLSA-N 1 3 269.392 2.861 20 30 CFEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)o1 ZINC000174272588 379855878 /nfs/dbraw/zinc/85/58/78/379855878.db2.gz SLXTUSRCXNHBFK-AWEZNQCLSA-N 1 3 275.396 2.895 20 30 CFEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)o1 ZINC000174272588 379855882 /nfs/dbraw/zinc/85/58/82/379855882.db2.gz SLXTUSRCXNHBFK-AWEZNQCLSA-N 1 3 275.396 2.895 20 30 CFEDHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174272712 379856042 /nfs/dbraw/zinc/85/60/42/379856042.db2.gz YKLKVHXZZKJABN-CQSZACIVSA-N 1 3 275.396 2.753 20 30 CFEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174272712 379856045 /nfs/dbraw/zinc/85/60/45/379856045.db2.gz YKLKVHXZZKJABN-CQSZACIVSA-N 1 3 275.396 2.753 20 30 CFEDHO N#Cc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000180274464 380641553 /nfs/dbraw/zinc/64/15/53/380641553.db2.gz ULWYFTNCAKPDTN-UHFFFAOYSA-N 1 3 296.374 2.552 20 30 CFEDHO C[C@H]([NH2+]CCCSCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185668224 381697477 /nfs/dbraw/zinc/69/74/77/381697477.db2.gz DXVLVPPIGGZSLT-GJZGRUSLSA-N 1 3 295.496 2.876 20 30 CFEDHO N#Cc1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000352488609 382360616 /nfs/dbraw/zinc/36/06/16/382360616.db2.gz RYORFWNZMBJNMB-UHFFFAOYSA-N 1 3 271.408 2.899 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346848494 382543077 /nfs/dbraw/zinc/54/30/77/382543077.db2.gz DVAQAKAVTUKIOT-SZMVWBNQSA-N 1 3 286.419 2.811 20 30 CFEDHO CN(CCC[NH+]1CCCC1)CCCC(C)(C)C#N ZINC000337267235 382789671 /nfs/dbraw/zinc/78/96/71/382789671.db2.gz IOONXJKDWDHMGZ-UHFFFAOYSA-N 1 3 251.418 2.734 20 30 CFEDHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423448411 383099896 /nfs/dbraw/zinc/09/98/96/383099896.db2.gz VCZVYICFWRWZQT-XNJJOIOASA-N 1 3 287.382 2.736 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000248576801 383264319 /nfs/dbraw/zinc/26/43/19/383264319.db2.gz NOONBXYZMKKQTC-UXLLHSPISA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576801 383264325 /nfs/dbraw/zinc/26/43/25/383264325.db2.gz NOONBXYZMKKQTC-UXLLHSPISA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576801 383264332 /nfs/dbraw/zinc/26/43/32/383264332.db2.gz NOONBXYZMKKQTC-UXLLHSPISA-N 1 3 280.456 2.556 20 30 CFEDHO C=C(C)CC[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449480186 383322496 /nfs/dbraw/zinc/32/24/96/383322496.db2.gz XQIZTBBGDOIJFN-UHFFFAOYSA-N 1 3 287.451 2.884 20 30 CFEDHO C=C(C)CN1CCC(Nc2cc[nH+]c(CC)c2)CC1 ZINC000450317063 383390143 /nfs/dbraw/zinc/39/01/43/383390143.db2.gz JCESZTMXFICCOT-UHFFFAOYSA-N 1 3 259.397 2.518 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449698407 383361871 /nfs/dbraw/zinc/36/18/71/383361871.db2.gz NJAMZLXIOFDJIQ-NXHRZFHOSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449698407 383361880 /nfs/dbraw/zinc/36/18/80/383361880.db2.gz NJAMZLXIOFDJIQ-NXHRZFHOSA-N 1 3 294.483 2.946 20 30 CFEDHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cccc(C#N)c1 ZINC000423095154 532995479 /nfs/dbraw/zinc/99/54/79/532995479.db2.gz DLIYUGUCXSJKKB-BEFAXECRSA-N 1 3 293.414 2.649 20 30 CFEDHO C#Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000289160570 197249901 /nfs/dbraw/zinc/24/99/01/197249901.db2.gz DOKLJRHLZROHCV-UHFFFAOYSA-N 1 3 268.404 2.632 20 30 CFEDHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271978824 385417779 /nfs/dbraw/zinc/41/77/79/385417779.db2.gz YNNMQATZZOTOIN-CHWSQXEVSA-N 1 3 287.382 2.832 20 30 CFEDHO CC[NH+]1CCC(CCNCc2ccc(C#N)cc2F)CC1 ZINC000269448540 132173041 /nfs/dbraw/zinc/17/30/41/132173041.db2.gz VGXJWQYTQSJNTR-UHFFFAOYSA-N 1 3 289.398 2.909 20 30 CFEDHO C[C@@H]([NH2+]CCCCC#N)c1ccc(OCCN(C)C)cc1 ZINC000178640590 393446437 /nfs/dbraw/zinc/44/64/37/393446437.db2.gz SRJREEPUKNSWHZ-OAHLLOKOSA-N 1 3 289.423 2.971 20 30 CFEDHO CC#CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342868151 393872562 /nfs/dbraw/zinc/87/25/62/393872562.db2.gz JVTWQMSANIZQAN-UHFFFAOYSA-N 1 3 282.431 2.998 20 30 CFEDHO CC#CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342868151 393872564 /nfs/dbraw/zinc/87/25/64/393872564.db2.gz JVTWQMSANIZQAN-UHFFFAOYSA-N 1 3 282.431 2.998 20 30 CFEDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421376213 394208420 /nfs/dbraw/zinc/20/84/20/394208420.db2.gz DTQKBJHZMDOGQZ-ZDUSSCGKSA-N 1 3 275.371 2.519 20 30 CFEDHO C[N@H+]1CCC[C@@H](CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421376213 394208422 /nfs/dbraw/zinc/20/84/22/394208422.db2.gz DTQKBJHZMDOGQZ-ZDUSSCGKSA-N 1 3 275.371 2.519 20 30 CFEDHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423540907 394294244 /nfs/dbraw/zinc/29/42/44/394294244.db2.gz RBSWGOIJQZOZDD-GFCCVEGCSA-N 1 3 273.355 2.658 20 30 CFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000648450310 395149220 /nfs/dbraw/zinc/14/92/20/395149220.db2.gz AFUKVGWTSLIGSU-IRXDYDNUSA-N 1 3 293.499 2.879 20 30 CFEDHO C=CCOCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000348027800 397657639 /nfs/dbraw/zinc/65/76/39/397657639.db2.gz GKTKGPJQWWBEHT-CVEARBPZSA-N 1 3 280.456 2.822 20 30 CFEDHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379877 288067876 /nfs/dbraw/zinc/06/78/76/288067876.db2.gz YBXVCQWYVSBMLA-OAGGEKHMSA-N 1 3 257.381 2.869 20 30 CFEDHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379879 288068790 /nfs/dbraw/zinc/06/87/90/288068790.db2.gz YBXVCQWYVSBMLA-XHSDSOJGSA-N 1 3 257.381 2.869 20 30 CFEDHO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000430124660 328135896 /nfs/dbraw/zinc/13/58/96/328135896.db2.gz LGROZRJITUNSNR-GOSISDBHSA-N 1 3 286.419 2.779 20 30 CFEDHO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000430124660 328135897 /nfs/dbraw/zinc/13/58/97/328135897.db2.gz LGROZRJITUNSNR-GOSISDBHSA-N 1 3 286.419 2.779 20 30 CFEDHO C[C@H](NCCCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000273179496 328204260 /nfs/dbraw/zinc/20/42/60/328204260.db2.gz DUPJNGYKFCBVOM-AWEZNQCLSA-N 1 3 275.396 2.581 20 30 CFEDHO C=CCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000568950663 327025295 /nfs/dbraw/zinc/02/52/95/327025295.db2.gz AVIHDHRFPDFAIY-OWCLPIDISA-N 1 3 266.429 2.526 20 30 CFEDHO C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CN1CCCCC1 ZINC000185788428 329331820 /nfs/dbraw/zinc/33/18/20/329331820.db2.gz UHEBXRXEWBCSMS-HRCADAONSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788428 329331822 /nfs/dbraw/zinc/33/18/22/329331822.db2.gz UHEBXRXEWBCSMS-HRCADAONSA-N 1 3 263.429 2.780 20 30 CFEDHO C[NH+](C)CC1(CN[C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185899592 329334632 /nfs/dbraw/zinc/33/46/32/329334632.db2.gz DOKYHCGAAQZHAU-GJZGRUSLSA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCSCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261589266 329972005 /nfs/dbraw/zinc/97/20/05/329972005.db2.gz WFBNVGALKRXKOH-RBSFLKMASA-N 1 3 268.470 2.806 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)C(C)C ZINC000422828020 330156578 /nfs/dbraw/zinc/15/65/78/330156578.db2.gz FOVZMIPLNOIRHD-KZNAEPCWSA-N 1 3 293.499 2.935 20 30 CFEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423155246 330173290 /nfs/dbraw/zinc/17/32/90/330173290.db2.gz QIVRMJVYATYLBB-JJXSEGSLSA-N 1 3 266.429 2.620 20 30 CFEDHO CNC[C@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423284395 330185671 /nfs/dbraw/zinc/18/56/71/330185671.db2.gz YIZFZJCMVJUCPM-ZLPCBKJTSA-N 1 3 285.435 2.836 20 30 CFEDHO CNC[C@@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423284394 330185723 /nfs/dbraw/zinc/18/57/23/330185723.db2.gz YIZFZJCMVJUCPM-FAEJEUNOSA-N 1 3 285.435 2.836 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000436279952 330672989 /nfs/dbraw/zinc/67/29/89/330672989.db2.gz AQECMVWVSUHRMZ-ZBFHGGJFSA-N 1 3 280.456 2.820 20 30 CFEDHO C=C(CC)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449732090 330946407 /nfs/dbraw/zinc/94/64/07/330946407.db2.gz KYIHQHRDEXUKTJ-UHFFFAOYSA-N 1 3 287.451 2.884 20 30 CFEDHO C=CCOc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347113285 526864642 /nfs/dbraw/zinc/86/46/42/526864642.db2.gz RPQVQQZAWKNQGP-CQSZACIVSA-N 1 3 274.408 2.811 20 30 CFEDHO COc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615052 618317534 /nfs/dbraw/zinc/31/75/34/618317534.db2.gz DTVDRLBQUHTLCX-LSDHHAIUSA-N 1 3 287.407 2.562 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000181101138 618684451 /nfs/dbraw/zinc/68/44/51/618684451.db2.gz WDJMYMCHCLRTSS-DOTOQJQBSA-N 1 3 294.508 2.986 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1C#N ZINC000925839154 619172048 /nfs/dbraw/zinc/17/20/48/619172048.db2.gz PWLYOIKONPHNCB-HZPDHXFCSA-N 1 3 257.381 2.616 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NCC1([NH+]2CCCC2)CCOCC1 ZINC000924971438 619311203 /nfs/dbraw/zinc/31/12/03/619311203.db2.gz AYDPIPAOFKAKDP-OAHLLOKOSA-N 1 3 293.455 2.549 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000895556270 619554431 /nfs/dbraw/zinc/55/44/31/619554431.db2.gz GPWRXXUBSRRSTK-CABCVRRESA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000895556270 619554434 /nfs/dbraw/zinc/55/44/34/619554434.db2.gz GPWRXXUBSRRSTK-CABCVRRESA-N 1 3 272.396 2.532 20 30 CFEDHO C[C@H](CCC#N)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556270 619554436 /nfs/dbraw/zinc/55/44/36/619554436.db2.gz GPWRXXUBSRRSTK-CABCVRRESA-N 1 3 272.396 2.532 20 30 CFEDHO CC1([NH+]2CCCC2)CCC(NCc2cccc(C#N)n2)CC1 ZINC000896388039 619727902 /nfs/dbraw/zinc/72/79/02/619727902.db2.gz QRLYPDCYVHSKQO-UHFFFAOYSA-N 1 3 298.434 2.840 20 30 CFEDHO C[C@@H](CNC(=[NH2+])NC1CCCCCC1)N1CCC(C)CC1 ZINC000305738636 619991740 /nfs/dbraw/zinc/99/17/40/619991740.db2.gz AKWRUIHEIOHGAU-HNNXBMFYSA-N 1 3 294.487 2.734 20 30 CFEDHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752075 621164848 /nfs/dbraw/zinc/16/48/48/621164848.db2.gz GCSXEQKDRVOOAR-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752075 621164851 /nfs/dbraw/zinc/16/48/51/621164851.db2.gz GCSXEQKDRVOOAR-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C#N)c1 ZINC000902752075 621164852 /nfs/dbraw/zinc/16/48/52/621164852.db2.gz GCSXEQKDRVOOAR-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO N#CC1(CCCCN2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000903746625 621431773 /nfs/dbraw/zinc/43/17/73/621431773.db2.gz IRQNQYFORSQZTP-QGZVFWFLSA-N 1 3 275.440 2.926 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911821384 622555654 /nfs/dbraw/zinc/55/56/54/622555654.db2.gz IMOORXUBCHVBMS-OAGGEKHMSA-N 1 3 297.487 2.650 20 30 CFEDHO C#CCN(Cc1ccc(C[N@H+](CC#C)C2CC2)cc1)C1CC1 ZINC000763943990 627024165 /nfs/dbraw/zinc/02/41/65/627024165.db2.gz JKQDGLTWLJEMPT-UHFFFAOYSA-N 1 3 292.426 2.882 20 30 CFEDHO C#CCN(Cc1ccc(C[N@@H+](CC#C)C2CC2)cc1)C1CC1 ZINC000763943990 627024168 /nfs/dbraw/zinc/02/41/68/627024168.db2.gz JKQDGLTWLJEMPT-UHFFFAOYSA-N 1 3 292.426 2.882 20 30 CFEDHO N#CCC[C@@H](C#N)CNC1CCC([NH+]2CCCCC2)CC1 ZINC000819142803 632983392 /nfs/dbraw/zinc/98/33/92/632983392.db2.gz RCHPIYHHRLFRAG-GTPINHCMSA-N 1 3 288.439 2.817 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000877073755 643136159 /nfs/dbraw/zinc/13/61/59/643136159.db2.gz RPMHCQBJZZIENL-PMPSAXMXSA-N 1 3 293.455 2.548 20 30 CFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000877073755 643136161 /nfs/dbraw/zinc/13/61/61/643136161.db2.gz RPMHCQBJZZIENL-PMPSAXMXSA-N 1 3 293.455 2.548 20 30 CFEDHO C[N@H+](CCCCNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877578076 643375723 /nfs/dbraw/zinc/37/57/23/643375723.db2.gz TTYKEQYCZPXQGC-UHFFFAOYSA-N 1 3 292.814 2.571 20 30 CFEDHO C[N@@H+](CCCCNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877578076 643375726 /nfs/dbraw/zinc/37/57/26/643375726.db2.gz TTYKEQYCZPXQGC-UHFFFAOYSA-N 1 3 292.814 2.571 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000877684317 643453631 /nfs/dbraw/zinc/45/36/31/643453631.db2.gz LSOPBGDKPCJRLP-UHFFFAOYSA-N 1 3 289.448 2.928 20 30 CFEDHO CC[C@@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)N1CCCC1 ZINC000303877434 651005236 /nfs/dbraw/zinc/00/52/36/651005236.db2.gz FGIBXZCFSFZFLY-INIZCTEOSA-N 1 3 288.439 2.904 20 30 CFEDHO CCc1cccc(NC(=[NH2+])NCCN2CCCCCC2)c1 ZINC000303888493 651006642 /nfs/dbraw/zinc/00/66/42/651006642.db2.gz LKVPJZXGWVDJJD-UHFFFAOYSA-N 1 3 288.439 2.852 20 30 CFEDHO Cc1cc(C)cc(NC(=[NH2+])NCCN2CCCCCC2)c1 ZINC000303911171 651009101 /nfs/dbraw/zinc/00/91/01/651009101.db2.gz ZHTHLDOAWQYRQO-UHFFFAOYSA-N 1 3 288.439 2.906 20 30 CFEDHO C=CCC[C@H]([NH2+]CCCN(C)C(C)C)[C@@H]1CCCO1 ZINC000883169550 645637540 /nfs/dbraw/zinc/63/75/40/645637540.db2.gz YRPUCQFMHQHEPO-HOTGVXAUSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@H](NCCC[N@@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000883169550 645637542 /nfs/dbraw/zinc/63/75/42/645637542.db2.gz YRPUCQFMHQHEPO-HOTGVXAUSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@H](NCCC[N@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000883169550 645637548 /nfs/dbraw/zinc/63/75/48/645637548.db2.gz YRPUCQFMHQHEPO-HOTGVXAUSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCCC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000883215998 645669785 /nfs/dbraw/zinc/66/97/85/645669785.db2.gz JQRQFGIYQNOQRY-MSOLQXFVSA-N 1 3 288.435 2.740 20 30 CFEDHO C=CCCC[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000883215998 645669787 /nfs/dbraw/zinc/66/97/87/645669787.db2.gz JQRQFGIYQNOQRY-MSOLQXFVSA-N 1 3 288.435 2.740 20 30 CFEDHO CC[C@@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)N1CCCC1 ZINC000104166825 647552535 /nfs/dbraw/zinc/55/25/35/647552535.db2.gz DUUDBFVMMGZOGX-INIZCTEOSA-N 1 3 288.439 2.904 20 30 CFEDHO CC(C)([NH3+])CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000925742273 648306306 /nfs/dbraw/zinc/30/63/06/648306306.db2.gz RMRCNSGVQVEQDK-OAHLLOKOSA-N 1 3 257.381 2.653 20 30 CFEDHO C=CCCCC[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789689 648324509 /nfs/dbraw/zinc/32/45/09/648324509.db2.gz BATITQJGQBQPKK-HOTGVXAUSA-N 1 3 280.456 2.870 20 30 CFEDHO C=CCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001209160053 770007812 /nfs/dbraw/zinc/00/78/12/770007812.db2.gz AVXVWVUFYGVOEB-MRXNPFEDSA-N 1 3 266.429 2.528 20 30 CFEDHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695789128 776013136 /nfs/dbraw/zinc/01/31/36/776013136.db2.gz VBKHLAICMDGISQ-KBPBESRZSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000695789128 776013151 /nfs/dbraw/zinc/01/31/51/776013151.db2.gz VBKHLAICMDGISQ-KBPBESRZSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000695789128 776013162 /nfs/dbraw/zinc/01/31/62/776013162.db2.gz VBKHLAICMDGISQ-KBPBESRZSA-N 1 3 251.418 2.635 20 30 CFEDHO CC[NH+](CC)CCC[C@@H](C)N1CC[C@@](C)(C#N)C1 ZINC001167835572 776585674 /nfs/dbraw/zinc/58/56/74/776585674.db2.gz RJADPCJCCYUVRR-CABCVRRESA-N 1 3 251.418 2.732 20 30 CFEDHO CCCCCCCCCN1CCO[C@H](CC[NH3+])C1 ZINC001204748423 777476933 /nfs/dbraw/zinc/47/69/33/777476933.db2.gz LDMYMLJFQRQYJF-OAHLLOKOSA-N 1 3 256.434 2.787 20 30 CFEDHO C(#CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001236303909 778767706 /nfs/dbraw/zinc/76/77/06/778767706.db2.gz VAYVBELCPJZHRL-LJQANCHMSA-N 1 3 282.431 2.750 20 30 CFEDHO C[N@@H+]1CCC[C@@]2(CCN(CCc3ccc(C#N)cc3)C2)C1 ZINC000595504463 349644109 /nfs/dbraw/zinc/64/41/09/349644109.db2.gz CQHQQTOBUJRHKT-GOSISDBHSA-N 1 3 283.419 2.518 20 30 CFEDHO C[N@H+]1CCC[C@@]2(CCN(CCc3ccc(C#N)cc3)C2)C1 ZINC000595504463 349644111 /nfs/dbraw/zinc/64/41/11/349644111.db2.gz CQHQQTOBUJRHKT-GOSISDBHSA-N 1 3 283.419 2.518 20 30 CFEDHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210415 529665836 /nfs/dbraw/zinc/66/58/36/529665836.db2.gz GETNAJYWDIPAAR-XYPHTWIQSA-N 1 3 271.408 2.987 20 30 CFEDHO CC1CC[NH+](CC2CCN(CCCC#N)CC2)CC1 ZINC000052185076 346516249 /nfs/dbraw/zinc/51/62/49/346516249.db2.gz GAOYTZRYGVAEHR-UHFFFAOYSA-N 1 3 263.429 2.734 20 30 CFEDHO C=CCCC[C@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000091578148 347592778 /nfs/dbraw/zinc/59/27/78/347592778.db2.gz YVYNFFDMPUFLAF-HNNXBMFYSA-N 1 3 268.445 2.510 20 30 CFEDHO C=CCCC[C@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000091578148 347592782 /nfs/dbraw/zinc/59/27/82/347592782.db2.gz YVYNFFDMPUFLAF-HNNXBMFYSA-N 1 3 268.445 2.510 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000593646946 349304370 /nfs/dbraw/zinc/30/43/70/349304370.db2.gz UKGIKRGDQPVKPK-LSDHHAIUSA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000593646946 349304375 /nfs/dbraw/zinc/30/43/75/349304375.db2.gz UKGIKRGDQPVKPK-LSDHHAIUSA-N 1 3 251.418 2.636 20 30 CFEDHO N#Cc1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000598679299 350309345 /nfs/dbraw/zinc/30/93/45/350309345.db2.gz FJCCCHCNKZPIPY-WMZOPIPTSA-N 1 3 283.419 2.770 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000602661047 350965747 /nfs/dbraw/zinc/96/57/47/350965747.db2.gz BRNIZEKJAPZRJG-HOCLYGCPSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000602661047 350965749 /nfs/dbraw/zinc/96/57/49/350965749.db2.gz BRNIZEKJAPZRJG-HOCLYGCPSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000602715922 350997049 /nfs/dbraw/zinc/99/70/49/350997049.db2.gz QARKACLAYAJDIB-GDBMZVCRSA-N 1 3 263.429 2.638 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411703 188017134 /nfs/dbraw/zinc/01/71/34/188017134.db2.gz OXNWMZNLHAQVBX-CVEARBPZSA-N 1 3 298.430 2.834 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152411703 188017135 /nfs/dbraw/zinc/01/71/35/188017135.db2.gz OXNWMZNLHAQVBX-CVEARBPZSA-N 1 3 298.430 2.834 20 30 CFEDHO N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423281681 283199257 /nfs/dbraw/zinc/19/92/57/283199257.db2.gz UJGMUKAYVUFBGV-HYVNUMGLSA-N 1 3 269.392 2.653 20 30 CFEDHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256846 238312097 /nfs/dbraw/zinc/31/20/97/238312097.db2.gz GHNNGBRMVZHLBW-STQMWFEESA-N 1 3 275.371 2.738 20 30 CFEDHO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000158472359 378670410 /nfs/dbraw/zinc/67/04/10/378670410.db2.gz WAYPCSWMAPRHLS-DMKPSLHHSA-N 1 3 295.430 2.684 20 30 CFEDHO CC[NH+]1CCC(N[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000334420489 379269050 /nfs/dbraw/zinc/26/90/50/379269050.db2.gz QVMPVIBLCHZZEU-QGZVFWFLSA-N 1 3 269.392 2.619 20 30 CFEDHO CC#CCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000354176301 381121459 /nfs/dbraw/zinc/12/14/59/381121459.db2.gz DDMGVDYBJOPYLK-UHFFFAOYSA-N 1 3 299.462 2.720 20 30 CFEDHO CC#CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000354176301 381121467 /nfs/dbraw/zinc/12/14/67/381121467.db2.gz DDMGVDYBJOPYLK-UHFFFAOYSA-N 1 3 299.462 2.720 20 30 CFEDHO C#Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000290296963 381373305 /nfs/dbraw/zinc/37/33/05/381373305.db2.gz HLVZBBYFPPQQQN-SFHVURJKSA-N 1 3 270.420 2.878 20 30 CFEDHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000290456379 381436196 /nfs/dbraw/zinc/43/61/96/381436196.db2.gz MSIJNVLRPXCJGL-CQSZACIVSA-N 1 3 289.448 2.783 20 30 CFEDHO C=CCOc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292762717 381825439 /nfs/dbraw/zinc/82/54/39/381825439.db2.gz JPEQCHHAXJBQPU-GOSISDBHSA-N 1 3 286.419 2.779 20 30 CFEDHO C=CCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292762717 381825444 /nfs/dbraw/zinc/82/54/44/381825444.db2.gz JPEQCHHAXJBQPU-GOSISDBHSA-N 1 3 286.419 2.779 20 30 CFEDHO C=CCCCCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373239487 381957864 /nfs/dbraw/zinc/95/78/64/381957864.db2.gz ARSGZIDOVGMBAP-GOSISDBHSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373239487 381957870 /nfs/dbraw/zinc/95/78/70/381957870.db2.gz ARSGZIDOVGMBAP-GOSISDBHSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000373239487 381957876 /nfs/dbraw/zinc/95/78/76/381957876.db2.gz ARSGZIDOVGMBAP-GOSISDBHSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000373239487 381957884 /nfs/dbraw/zinc/95/78/84/381957884.db2.gz ARSGZIDOVGMBAP-GOSISDBHSA-N 1 3 293.499 2.833 20 30 CFEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000366488638 382519524 /nfs/dbraw/zinc/51/95/24/382519524.db2.gz JKFVRDLDGJZYBO-MAUKXSAKSA-N 1 3 299.418 2.505 20 30 CFEDHO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000366488638 382519529 /nfs/dbraw/zinc/51/95/29/382519529.db2.gz JKFVRDLDGJZYBO-MAUKXSAKSA-N 1 3 299.418 2.505 20 30 CFEDHO C=CCOc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346859994 382549122 /nfs/dbraw/zinc/54/91/22/382549122.db2.gz ZUIWNMOXIBYOSW-XIRDDKMYSA-N 1 3 286.419 2.811 20 30 CFEDHO C=CCOc1ccccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346859993 382549255 /nfs/dbraw/zinc/54/92/55/382549255.db2.gz ZUIWNMOXIBYOSW-USXIJHARSA-N 1 3 286.419 2.811 20 30 CFEDHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506824 382720448 /nfs/dbraw/zinc/72/04/48/382720448.db2.gz ZACQAOCQFOWQPL-CABCVRRESA-N 1 3 299.418 2.724 20 30 CFEDHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506824 382720449 /nfs/dbraw/zinc/72/04/49/382720449.db2.gz ZACQAOCQFOWQPL-CABCVRRESA-N 1 3 299.418 2.724 20 30 CFEDHO CN(C)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000234225961 382873362 /nfs/dbraw/zinc/87/33/62/382873362.db2.gz FPXVOZDVROCOLE-UHFFFAOYSA-N 1 3 251.418 2.732 20 30 CFEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442774065 382954253 /nfs/dbraw/zinc/95/42/53/382954253.db2.gz YNYOOEMMPNPDII-QLFBSQMISA-N 1 3 263.429 2.779 20 30 CFEDHO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442774065 382954255 /nfs/dbraw/zinc/95/42/55/382954255.db2.gz YNYOOEMMPNPDII-QLFBSQMISA-N 1 3 263.429 2.779 20 30 CFEDHO C=CCC[C@H](CCC)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442865631 382962470 /nfs/dbraw/zinc/96/24/70/382962470.db2.gz FZMJKZCDFYSZEJ-INIZCTEOSA-N 1 3 281.488 2.737 20 30 CFEDHO C=CCOc1ccccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000442918499 382963542 /nfs/dbraw/zinc/96/35/42/382963542.db2.gz GYVJJTVVPSLXLN-OAHLLOKOSA-N 1 3 274.408 2.812 20 30 CFEDHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482261 383113980 /nfs/dbraw/zinc/11/39/80/383113980.db2.gz OWCRJMUXNXXMOB-JSGCOSHPSA-N 1 3 275.371 2.880 20 30 CFEDHO C[C@H]1C[C@@H](CCNCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117351 383183895 /nfs/dbraw/zinc/18/38/95/383183895.db2.gz UNKYUVAGXKHOOY-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H]1C[C@@H](CCNCCC#N)C[N@H+]1Cc1ccccc1 ZINC000566117351 383183899 /nfs/dbraw/zinc/18/38/99/383183899.db2.gz UNKYUVAGXKHOOY-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000248576799 383263729 /nfs/dbraw/zinc/26/37/29/383263729.db2.gz NOONBXYZMKKQTC-INMHGKMJSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576799 383263732 /nfs/dbraw/zinc/26/37/32/383263732.db2.gz NOONBXYZMKKQTC-INMHGKMJSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576799 383263735 /nfs/dbraw/zinc/26/37/35/383263735.db2.gz NOONBXYZMKKQTC-INMHGKMJSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449698405 383361763 /nfs/dbraw/zinc/36/17/63/383361763.db2.gz NJAMZLXIOFDJIQ-JQHSSLGASA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449698405 383361769 /nfs/dbraw/zinc/36/17/69/383361769.db2.gz NJAMZLXIOFDJIQ-JQHSSLGASA-N 1 3 294.483 2.946 20 30 CFEDHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000251425021 383387554 /nfs/dbraw/zinc/38/75/54/383387554.db2.gz IHKNEWASHWKIOV-RCBQFDQVSA-N 1 3 257.381 2.726 20 30 CFEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2ccncc2)CC1 ZINC000487288890 383478397 /nfs/dbraw/zinc/47/83/97/383478397.db2.gz OEGIGQNRLRRWDD-ARJAWSKDSA-N 1 3 271.408 2.725 20 30 CFEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000436279950 383799441 /nfs/dbraw/zinc/79/94/41/383799441.db2.gz AQECMVWVSUHRMZ-GOEBONIOSA-N 1 3 280.456 2.820 20 30 CFEDHO CN(C)[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000372990575 393460582 /nfs/dbraw/zinc/46/05/82/393460582.db2.gz PVCMJOTVRIZJOB-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO CN(C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000372990575 393460587 /nfs/dbraw/zinc/46/05/87/393460587.db2.gz PVCMJOTVRIZJOB-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO C[NH+](C)[C@@H]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000372990575 393460593 /nfs/dbraw/zinc/46/05/93/393460593.db2.gz PVCMJOTVRIZJOB-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO CC[NH+](CC)CCOC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339009495 393810068 /nfs/dbraw/zinc/81/00/68/393810068.db2.gz KEFQTYXLDQHVLL-JKSUJKDBSA-N 1 3 293.455 2.501 20 30 CFEDHO CC[NH+](CC)CCCC1CCN(C(=O)C(C)C#N)CC1 ZINC000360892062 394160636 /nfs/dbraw/zinc/16/06/36/394160636.db2.gz WUKAVESQRSTAOO-CQSZACIVSA-N 1 3 279.428 2.507 20 30 CFEDHO C=C(C)CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648727224 395287249 /nfs/dbraw/zinc/28/72/49/395287249.db2.gz HFVFITKDCBLQFG-UHFFFAOYSA-N 1 3 262.397 2.683 20 30 CFEDHO C=C(C)[C@@H](CO)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649353242 395476873 /nfs/dbraw/zinc/47/68/73/395476873.db2.gz PYNQFIDCBCHTJA-FUHWJXTLSA-N 1 3 294.483 2.900 20 30 CFEDHO C=C(C)[C@@H](CO)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000649353242 395476875 /nfs/dbraw/zinc/47/68/75/395476875.db2.gz PYNQFIDCBCHTJA-FUHWJXTLSA-N 1 3 294.483 2.900 20 30 CFEDHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353431595 163363063 /nfs/dbraw/zinc/36/30/63/163363063.db2.gz ZYYUXFCWFIGWPS-CRAIPNDOSA-N 1 3 283.419 2.867 20 30 CFEDHO C[NH+](C)C1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000353525336 163386121 /nfs/dbraw/zinc/38/61/21/163386121.db2.gz YINJGHIIRCJKKC-UHFFFAOYSA-N 1 3 275.371 2.660 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000118399870 287132021 /nfs/dbraw/zinc/13/20/21/287132021.db2.gz NPPPLQZFGBVJMP-DZGCQCFKSA-N 1 3 257.381 2.503 20 30 CFEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000118399870 287132022 /nfs/dbraw/zinc/13/20/22/287132022.db2.gz NPPPLQZFGBVJMP-DZGCQCFKSA-N 1 3 257.381 2.503 20 30 CFEDHO C[C@@H](CCN(C)C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037625 260206845 /nfs/dbraw/zinc/20/68/45/260206845.db2.gz NSPGHWITDWVSKS-OOHWJJMZSA-N 1 3 271.408 2.540 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000360954211 261137355 /nfs/dbraw/zinc/13/73/55/261137355.db2.gz FTDBXNKEYGRILU-YESZJQIVSA-N 1 3 282.472 2.804 20 30 CFEDHO C=CCC[C@H](O)CN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954211 261137357 /nfs/dbraw/zinc/13/73/57/261137357.db2.gz FTDBXNKEYGRILU-YESZJQIVSA-N 1 3 282.472 2.804 20 30 CFEDHO C[C@H]([NH2+]CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272496949 263005547 /nfs/dbraw/zinc/00/55/47/263005547.db2.gz NLSWJUAGVLBELC-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H](NCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496949 263005548 /nfs/dbraw/zinc/00/55/48/263005548.db2.gz NLSWJUAGVLBELC-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H](NCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272496949 263005549 /nfs/dbraw/zinc/00/55/49/263005549.db2.gz NLSWJUAGVLBELC-DOTOQJQBSA-N 1 3 271.408 2.790 20 30 CFEDHO C=CCOc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414814644 263053727 /nfs/dbraw/zinc/05/37/27/263053727.db2.gz ZNDLXPSDPMGUBV-NVXWUHKLSA-N 1 3 274.408 2.859 20 30 CFEDHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124130 267194437 /nfs/dbraw/zinc/19/44/37/267194437.db2.gz YMNANXRNIYCBDG-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124130 267194440 /nfs/dbraw/zinc/19/44/40/267194440.db2.gz YMNANXRNIYCBDG-NVXWUHKLSA-N 1 3 271.408 2.941 20 30 CFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224630 289308802 /nfs/dbraw/zinc/30/88/02/289308802.db2.gz SPAFYIWMZOMNQK-PWUWZPNHSA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000118399873 290220747 /nfs/dbraw/zinc/22/07/47/290220747.db2.gz NPPPLQZFGBVJMP-UKRRQHHQSA-N 1 3 257.381 2.503 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000118399873 290220750 /nfs/dbraw/zinc/22/07/50/290220750.db2.gz NPPPLQZFGBVJMP-UKRRQHHQSA-N 1 3 257.381 2.503 20 30 CFEDHO C[NH+](C)Cc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177681796 323700870 /nfs/dbraw/zinc/70/08/70/323700870.db2.gz BVMQZQZGZQWUFV-UHFFFAOYSA-N 1 3 285.416 2.971 20 30 CFEDHO CC(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185773265 329331478 /nfs/dbraw/zinc/33/14/78/329331478.db2.gz QIAQYNGMIADRMC-XHSDSOJGSA-N 1 3 263.429 2.779 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377935893 329035317 /nfs/dbraw/zinc/03/53/17/329035317.db2.gz AWPSAGQJFBNFEP-OWCLPIDISA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377935893 329035318 /nfs/dbraw/zinc/03/53/18/329035318.db2.gz AWPSAGQJFBNFEP-OWCLPIDISA-N 1 3 275.440 2.732 20 30 CFEDHO C[C@@H](CCN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897895 329334581 /nfs/dbraw/zinc/33/45/81/329334581.db2.gz KZMWCLFREZXVLM-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCCCC1 ZINC000185897895 329334583 /nfs/dbraw/zinc/33/45/83/329334583.db2.gz KZMWCLFREZXVLM-HRCADAONSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)CC#N ZINC000423172258 330174484 /nfs/dbraw/zinc/17/44/84/330174484.db2.gz SAILOWQUXMBXRX-KBPBESRZSA-N 1 3 251.418 2.827 20 30 CFEDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)CC#N ZINC000423172260 330174487 /nfs/dbraw/zinc/17/44/87/330174487.db2.gz SAILOWQUXMBXRX-UONOGXRCSA-N 1 3 251.418 2.827 20 30 CFEDHO C#CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248415795 334300786 /nfs/dbraw/zinc/30/07/86/334300786.db2.gz OPMMPLKHYJDATM-IPMKNSEASA-N 1 3 282.431 2.900 20 30 CFEDHO C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000895292623 618515739 /nfs/dbraw/zinc/51/57/39/618515739.db2.gz SEGWJAWWUZDVMH-CQSZACIVSA-N 1 3 273.424 2.918 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895297461 618518897 /nfs/dbraw/zinc/51/88/97/618518897.db2.gz MOZCRHKBBOQSHH-HNNXBMFYSA-N 1 3 274.408 2.519 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000926961467 620432313 /nfs/dbraw/zinc/43/23/13/620432313.db2.gz JJGFDAXYQJQYQZ-RCCFBDPRSA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000926961467 620432315 /nfs/dbraw/zinc/43/23/15/620432315.db2.gz JJGFDAXYQJQYQZ-RCCFBDPRSA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000926961467 620432322 /nfs/dbraw/zinc/43/23/22/620432322.db2.gz JJGFDAXYQJQYQZ-RCCFBDPRSA-N 1 3 283.419 2.829 20 30 CFEDHO CC1(C)CNC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000902450144 621091219 /nfs/dbraw/zinc/09/12/19/621091219.db2.gz RHYNYFAHALTPFX-HFCFLWKCSA-N 1 3 297.446 2.978 20 30 CFEDHO N#Cc1cc(Cl)cc(CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000903450315 621386379 /nfs/dbraw/zinc/38/63/79/621386379.db2.gz UCISFRVOQOFXOI-LBPRGKRZSA-N 1 3 277.799 2.772 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652467 623044210 /nfs/dbraw/zinc/04/42/10/623044210.db2.gz FJMUWJRUXQCEHG-IJEWVQPXSA-N 1 3 287.407 2.722 20 30 CFEDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652467 623044215 /nfs/dbraw/zinc/04/42/15/623044215.db2.gz FJMUWJRUXQCEHG-IJEWVQPXSA-N 1 3 287.407 2.722 20 30 CFEDHO C[C@H](CC(C)(C)C#N)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000925440374 624356363 /nfs/dbraw/zinc/35/63/63/624356363.db2.gz RBYICRZXOLIBLO-PMPSAXMXSA-N 1 3 295.471 2.794 20 30 CFEDHO C#CCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000766894947 627225263 /nfs/dbraw/zinc/22/52/63/627225263.db2.gz HNXLINPLRGYUIW-QGZVFWFLSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000766905354 627226226 /nfs/dbraw/zinc/22/62/26/627226226.db2.gz GZIOLTBPRCERNO-IRXDYDNUSA-N 1 3 262.441 2.986 20 30 CFEDHO C#CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000766905354 627226228 /nfs/dbraw/zinc/22/62/28/627226228.db2.gz GZIOLTBPRCERNO-IRXDYDNUSA-N 1 3 262.441 2.986 20 30 CFEDHO C=CCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000772856805 627751408 /nfs/dbraw/zinc/75/14/08/627751408.db2.gz RMZWHKBPGDEXEJ-ZWKOTPCHSA-N 1 3 288.435 2.740 20 30 CFEDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C#N)c(F)c1 ZINC000776725488 628171586 /nfs/dbraw/zinc/17/15/86/628171586.db2.gz MJUNAUKTFGRRFT-GFCCVEGCSA-N 1 3 277.387 2.936 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000796836680 629976340 /nfs/dbraw/zinc/97/63/40/629976340.db2.gz KKHCFTYJEUVPDQ-GVDBMIGSSA-N 1 3 299.418 2.529 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000796836680 629976343 /nfs/dbraw/zinc/97/63/43/629976343.db2.gz KKHCFTYJEUVPDQ-GVDBMIGSSA-N 1 3 299.418 2.529 20 30 CFEDHO C#CC[N@H+](C)CCCN[C@H]1CCCOc2ccc(C)cc21 ZINC000815652503 632307019 /nfs/dbraw/zinc/30/70/19/632307019.db2.gz GCYQZGNLRYTYBG-KRWDZBQOSA-N 1 3 286.419 2.753 20 30 CFEDHO C#CC[N@@H+](C)CCCN[C@H]1CCCOc2ccc(C)cc21 ZINC000815652503 632307022 /nfs/dbraw/zinc/30/70/22/632307022.db2.gz GCYQZGNLRYTYBG-KRWDZBQOSA-N 1 3 286.419 2.753 20 30 CFEDHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(C#N)c1 ZINC000817947690 632749200 /nfs/dbraw/zinc/74/92/00/632749200.db2.gz FRTXNQSMKXURGK-AWEZNQCLSA-N 1 3 279.387 2.910 20 30 CFEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000817971248 632771324 /nfs/dbraw/zinc/77/13/24/632771324.db2.gz LHZVBFSGYFJOKX-NEPJUHHUSA-N 1 3 268.788 2.816 20 30 CFEDHO C#CCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000858172140 636146911 /nfs/dbraw/zinc/14/69/11/636146911.db2.gz KYEHXNJZDKIJHP-MRXNPFEDSA-N 1 3 286.419 2.661 20 30 CFEDHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccc(C#N)cc2)C1 ZINC000866707170 638868804 /nfs/dbraw/zinc/86/88/04/638868804.db2.gz MNVNZQUWAMPYCX-QGZVFWFLSA-N 1 3 271.408 2.755 20 30 CFEDHO C#CCCCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642603 643426683 /nfs/dbraw/zinc/42/66/83/643426683.db2.gz OFKMKIJTRGWSNA-QGZVFWFLSA-N 1 3 280.456 2.613 20 30 CFEDHO C#CCCCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258147 644616275 /nfs/dbraw/zinc/61/62/75/644616275.db2.gz DGPCKECBCCGQER-MRXNPFEDSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258147 644616279 /nfs/dbraw/zinc/61/62/79/644616279.db2.gz DGPCKECBCCGQER-MRXNPFEDSA-N 1 3 271.408 2.786 20 30 CFEDHO C#CCCCCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258147 644616283 /nfs/dbraw/zinc/61/62/83/644616283.db2.gz DGPCKECBCCGQER-MRXNPFEDSA-N 1 3 271.408 2.786 20 30 CFEDHO C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000303888806 651006661 /nfs/dbraw/zinc/00/66/61/651006661.db2.gz PEFSCLLPHJFBBT-HUUCEWRRSA-N 1 3 294.487 2.544 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000303891179 651006677 /nfs/dbraw/zinc/00/66/77/651006677.db2.gz QKNRYBVDRMSQLC-OAHLLOKOSA-N 1 3 288.439 2.842 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)c1 ZINC000104153825 647552092 /nfs/dbraw/zinc/55/20/92/647552092.db2.gz WYCKDXIYEOUVAF-UHFFFAOYSA-N 1 3 276.428 2.840 20 30 CFEDHO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1c1ccncc1 ZINC000931684773 649471701 /nfs/dbraw/zinc/47/17/01/649471701.db2.gz VEQOTLNBZAZIEM-GTPINHCMSA-N 1 3 298.434 2.922 20 30 CFEDHO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1c1ccncc1 ZINC000931684773 649471702 /nfs/dbraw/zinc/47/17/02/649471702.db2.gz VEQOTLNBZAZIEM-GTPINHCMSA-N 1 3 298.434 2.922 20 30 CFEDHO C[N@@H+]1C[C@@H]2CN(CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933734012 649718525 /nfs/dbraw/zinc/71/85/25/649718525.db2.gz ZMVFLCFYCGZMIW-CVEARBPZSA-N 1 3 275.440 2.734 20 30 CFEDHO C[N@H+]1C[C@@H]2CN(CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933734012 649718526 /nfs/dbraw/zinc/71/85/26/649718526.db2.gz ZMVFLCFYCGZMIW-CVEARBPZSA-N 1 3 275.440 2.734 20 30 CFEDHO C[C@@H](CNC(=[NH2+])NC1CCCCCC1)N1CCCC[C@@H]1C ZINC000305750603 651074561 /nfs/dbraw/zinc/07/45/61/651074561.db2.gz ZOYBNXBLAIJAAX-GJZGRUSLSA-N 1 3 294.487 2.876 20 30 CFEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC001208178576 769892408 /nfs/dbraw/zinc/89/24/08/769892408.db2.gz RUYGFGFARMHRSI-ZACQAIPSSA-N 1 3 260.425 2.782 20 30 CFEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001208178576 769892420 /nfs/dbraw/zinc/89/24/20/769892420.db2.gz RUYGFGFARMHRSI-ZACQAIPSSA-N 1 3 260.425 2.782 20 30 CFEDHO CCc1cc(C#N)ccc1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206808010 769988517 /nfs/dbraw/zinc/98/85/17/769988517.db2.gz JJHRPZFNPNHCKI-UKRRQHHQSA-N 1 3 271.408 2.680 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)s3)C2)CC1 ZINC001232845774 777692025 /nfs/dbraw/zinc/69/20/25/777692025.db2.gz PRRQLUOQAVRGRH-UHFFFAOYSA-N 1 3 275.421 2.537 20 30 CFEDHO Cc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)c(C#N)c1 ZINC001232967437 777743011 /nfs/dbraw/zinc/74/30/11/777743011.db2.gz MJYZGWLPTIFIPP-UHFFFAOYSA-N 1 3 283.419 2.784 20 30 CFEDHO CCCCCCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626642 781779402 /nfs/dbraw/zinc/77/94/02/781779402.db2.gz IJMHILBHBMUOQF-INIZCTEOSA-N 1 3 297.487 2.537 20 30 CFEDHO CC(C)C[C@@H](N)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594581032 349450844 /nfs/dbraw/zinc/45/08/44/349450844.db2.gz DMEZKEQCIBPYOQ-MRXNPFEDSA-N 1 3 271.408 2.900 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000229803239 348202748 /nfs/dbraw/zinc/20/27/48/348202748.db2.gz PTZQTMFJTMNWKS-ROUUACIJSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000229803239 348202751 /nfs/dbraw/zinc/20/27/51/348202751.db2.gz PTZQTMFJTMNWKS-ROUUACIJSA-N 1 3 283.419 2.783 20 30 CFEDHO C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1CC[NH3+] ZINC000404303789 348590513 /nfs/dbraw/zinc/59/05/13/348590513.db2.gz CGHFPNPFUFQMRP-CJNGLKHVSA-N 1 3 257.381 2.508 20 30 CFEDHO N#Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000590962117 348973093 /nfs/dbraw/zinc/97/30/93/348973093.db2.gz FNOYGJXJOOHHCM-SFHVURJKSA-N 1 3 281.403 2.762 20 30 CFEDHO C[C@@H]1CC2(CN1Cc1ccccc1C#N)CC[NH2+]CC2 ZINC000598683280 350310242 /nfs/dbraw/zinc/31/02/42/350310242.db2.gz RBUIFQLFVCFEEM-CQSZACIVSA-N 1 3 269.392 2.522 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000602020182 350833953 /nfs/dbraw/zinc/83/39/53/350833953.db2.gz KDVHTHQODOIQAC-BBBYJDLNSA-N 1 3 263.429 2.827 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000602512429 350911416 /nfs/dbraw/zinc/91/14/16/350911416.db2.gz BEYJXCVFYUJDTK-BZUAXINKSA-N 1 3 265.445 2.884 20 30 CFEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602543355 350918522 /nfs/dbraw/zinc/91/85/22/350918522.db2.gz BVSYCOJQSRUIQO-CABCVRRESA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602575977 350930304 /nfs/dbraw/zinc/93/03/04/350930304.db2.gz ZNUCXRUIROEDBK-CVEARBPZSA-N 1 3 265.445 2.884 20 30 CFEDHO C=CCC[C@H](O)C[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062208 354183199 /nfs/dbraw/zinc/18/31/99/354183199.db2.gz LLSVGLIKHNKOEP-SFHVURJKSA-N 1 3 290.451 2.897 20 30 CFEDHO C=CCC[C@H](O)C[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062208 354183200 /nfs/dbraw/zinc/18/32/00/354183200.db2.gz LLSVGLIKHNKOEP-SFHVURJKSA-N 1 3 290.451 2.897 20 30 CFEDHO C=CCOc1cccc(CNCC2=CC[N@H+](C)CC2)c1 ZINC000271778800 191320944 /nfs/dbraw/zinc/32/09/44/191320944.db2.gz DHNKLGQUKNDCQV-UHFFFAOYSA-N 1 3 272.392 2.603 20 30 CFEDHO C=CCOc1cccc(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000271778800 191320947 /nfs/dbraw/zinc/32/09/47/191320947.db2.gz DHNKLGQUKNDCQV-UHFFFAOYSA-N 1 3 272.392 2.603 20 30 CFEDHO CC(C)(C#N)CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119704148 376455249 /nfs/dbraw/zinc/45/52/49/376455249.db2.gz OJCJZDYXZIOPQM-UHFFFAOYSA-N 1 3 293.455 2.503 20 30 CFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000335020272 379958011 /nfs/dbraw/zinc/95/80/11/379958011.db2.gz HFMLFHKSGMDLOY-SDEQNOSCSA-N 1 3 287.451 2.812 20 30 CFEDHO CCC[NH+]1CCC(CNCc2ccc(C#N)s2)CC1 ZINC000176963151 380287867 /nfs/dbraw/zinc/28/78/67/380287867.db2.gz UTCGKXOKUQLAQV-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000290068717 381286409 /nfs/dbraw/zinc/28/64/09/381286409.db2.gz PUBLLAPMJHFLTL-QAPCUYQASA-N 1 3 270.420 2.830 20 30 CFEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000290068717 381286418 /nfs/dbraw/zinc/28/64/18/381286418.db2.gz PUBLLAPMJHFLTL-QAPCUYQASA-N 1 3 270.420 2.830 20 30 CFEDHO C[C@H](CCN[C@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897950 381771431 /nfs/dbraw/zinc/77/14/31/381771431.db2.gz KZMWCLFREZXVLM-PMPSAXMXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCCCC1 ZINC000185897950 381771437 /nfs/dbraw/zinc/77/14/37/381771437.db2.gz KZMWCLFREZXVLM-PMPSAXMXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000345118918 382285921 /nfs/dbraw/zinc/28/59/21/382285921.db2.gz YMMXZIOQXKOQSV-CQSZACIVSA-N 1 3 271.408 2.893 20 30 CFEDHO C=CCOCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352146 382313691 /nfs/dbraw/zinc/31/36/91/382313691.db2.gz IYQXDWXBJRTVAE-WMZOPIPTSA-N 1 3 288.435 2.689 20 30 CFEDHO C=CCOCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364352146 382313699 /nfs/dbraw/zinc/31/36/99/382313699.db2.gz IYQXDWXBJRTVAE-WMZOPIPTSA-N 1 3 288.435 2.689 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000345822854 382316232 /nfs/dbraw/zinc/31/62/32/382316232.db2.gz YEIZHGJQHKQQDO-GJZGRUSLSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000345822854 382316236 /nfs/dbraw/zinc/31/62/36/382316236.db2.gz YEIZHGJQHKQQDO-GJZGRUSLSA-N 1 3 299.418 2.837 20 30 CFEDHO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000358304321 382557432 /nfs/dbraw/zinc/55/74/32/382557432.db2.gz RRHHFPXZRAVCQM-KGLIPLIRSA-N 1 3 262.397 2.852 20 30 CFEDHO C=CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000295091511 382574071 /nfs/dbraw/zinc/57/40/71/382574071.db2.gz TWYSLZHVBPQRDN-ALOPSCKCSA-N 1 3 286.419 2.966 20 30 CFEDHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506835 382720603 /nfs/dbraw/zinc/72/06/03/382720603.db2.gz ZACQAOCQFOWQPL-LSDHHAIUSA-N 1 3 299.418 2.724 20 30 CFEDHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506835 382720604 /nfs/dbraw/zinc/72/06/04/382720604.db2.gz ZACQAOCQFOWQPL-LSDHHAIUSA-N 1 3 299.418 2.724 20 30 CFEDHO C=CCSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000231930721 382868032 /nfs/dbraw/zinc/86/80/32/382868032.db2.gz WFBNVGALKRXKOH-QLFBSQMISA-N 1 3 268.470 2.806 20 30 CFEDHO CCN1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000337880697 382872850 /nfs/dbraw/zinc/87/28/50/382872850.db2.gz RIEDOHARASOVHQ-AWEZNQCLSA-N 1 3 251.418 2.638 20 30 CFEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442829834 382960124 /nfs/dbraw/zinc/96/01/24/382960124.db2.gz WIJQVUKPVOAYKV-OAGGEKHMSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442829834 382960126 /nfs/dbraw/zinc/96/01/26/382960126.db2.gz WIJQVUKPVOAYKV-OAGGEKHMSA-N 1 3 263.429 2.636 20 30 CFEDHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442829834 382960129 /nfs/dbraw/zinc/96/01/29/382960129.db2.gz WIJQVUKPVOAYKV-OAGGEKHMSA-N 1 3 263.429 2.636 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174713 383162604 /nfs/dbraw/zinc/16/26/04/383162604.db2.gz QDQSGINDLRTPIP-KKBFJZEXSA-N 1 3 297.402 2.524 20 30 CFEDHO C=CCCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106442 383874702 /nfs/dbraw/zinc/87/47/02/383874702.db2.gz YRVJQLDEQOIJIW-UHFFFAOYSA-N 1 3 266.429 2.529 20 30 CFEDHO C[C@H]([NH2+]CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272496955 385553118 /nfs/dbraw/zinc/55/31/18/385553118.db2.gz NLSWJUAGVLBELC-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H](NCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496955 385553122 /nfs/dbraw/zinc/55/31/22/385553122.db2.gz NLSWJUAGVLBELC-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@H](NCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272496955 385553125 /nfs/dbraw/zinc/55/31/25/385553125.db2.gz NLSWJUAGVLBELC-RDJZCZTQSA-N 1 3 271.408 2.790 20 30 CFEDHO C=CCC[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000682436558 542553872 /nfs/dbraw/zinc/55/38/72/542553872.db2.gz OBHMYLOVEMUCGL-UHFFFAOYSA-N 1 3 262.397 2.635 20 30 CFEDHO C=CCC[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000682436558 542553876 /nfs/dbraw/zinc/55/38/76/542553876.db2.gz OBHMYLOVEMUCGL-UHFFFAOYSA-N 1 3 262.397 2.635 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000453375193 394392108 /nfs/dbraw/zinc/39/21/08/394392108.db2.gz HWOXZUDHGDRZJK-XIRDDKMYSA-N 1 3 287.382 2.660 20 30 CFEDHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423389300 297110137 /nfs/dbraw/zinc/11/01/37/297110137.db2.gz JHAWCMHCXBTZCD-XWIAVFTESA-N 1 3 283.419 2.913 20 30 CFEDHO C=CC[C@@H]1N(C[C@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423578 413305442 /nfs/dbraw/zinc/30/54/42/413305442.db2.gz SJYZVIJCWWYHFA-CVEARBPZSA-N 1 3 282.472 2.754 20 30 CFEDHO C=CC[C@@H]1N(C[C@H](O)C[N@H+](C)C(C)C)CCCC1(C)C ZINC000660423578 413305446 /nfs/dbraw/zinc/30/54/46/413305446.db2.gz SJYZVIJCWWYHFA-CVEARBPZSA-N 1 3 282.472 2.754 20 30 CFEDHO C=CC[C@H]1N(C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423583 413307358 /nfs/dbraw/zinc/30/73/58/413307358.db2.gz SJYZVIJCWWYHFA-JKSUJKDBSA-N 1 3 282.472 2.754 20 30 CFEDHO C=CC[C@H]1N(C[C@@H](O)C[N@H+](C)C(C)C)CCCC1(C)C ZINC000660423583 413307364 /nfs/dbraw/zinc/30/73/64/413307364.db2.gz SJYZVIJCWWYHFA-JKSUJKDBSA-N 1 3 282.472 2.754 20 30 CFEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000353390489 163357911 /nfs/dbraw/zinc/35/79/11/163357911.db2.gz UWVQTTYNNBBTNR-KRWDZBQOSA-N 1 3 269.392 2.621 20 30 CFEDHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353431598 163362516 /nfs/dbraw/zinc/36/25/16/163362516.db2.gz ZYYUXFCWFIGWPS-YJBOKZPZSA-N 1 3 283.419 2.867 20 30 CFEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(C#N)c1)C2 ZINC000285599254 196339846 /nfs/dbraw/zinc/33/98/46/196339846.db2.gz VDAPSWTYQZECHX-SJPCQFCGSA-N 1 3 269.392 2.615 20 30 CFEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC000285599254 196339848 /nfs/dbraw/zinc/33/98/48/196339848.db2.gz VDAPSWTYQZECHX-SJPCQFCGSA-N 1 3 269.392 2.615 20 30 CFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000657837042 413991727 /nfs/dbraw/zinc/99/17/27/413991727.db2.gz XNZNRAYKQUVDNL-ROUUACIJSA-N 1 3 293.499 2.739 20 30 CFEDHO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCN(C(C)C)CC1 ZINC000662091455 414403473 /nfs/dbraw/zinc/40/34/73/414403473.db2.gz YMTIKZUAYFCGBM-HDICACEKSA-N 1 3 291.483 2.586 20 30 CFEDHO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CCN(C(C)C)CC1 ZINC000662091455 414403480 /nfs/dbraw/zinc/40/34/80/414403480.db2.gz YMTIKZUAYFCGBM-HDICACEKSA-N 1 3 291.483 2.586 20 30 CFEDHO CC[NH+]1CCC(CNCc2ccc(C#N)cc2F)CC1 ZINC000044518712 175190988 /nfs/dbraw/zinc/19/09/88/175190988.db2.gz RXVZCYPQGMHARG-UHFFFAOYSA-N 1 3 275.371 2.519 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000347117573 226032738 /nfs/dbraw/zinc/03/27/38/226032738.db2.gz UXACPOHQAWSOBI-OAHLLOKOSA-N 1 3 299.418 2.838 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000449092282 260210573 /nfs/dbraw/zinc/21/05/73/260210573.db2.gz TYAFLENREHDUCH-PYBGIAKNSA-N 1 3 261.413 2.675 20 30 CFEDHO C(#CC[N@@H+]1CCC2(CCC2)C1)CN1CCC2(CCC2)C1 ZINC000341869857 263360365 /nfs/dbraw/zinc/36/03/65/263360365.db2.gz APKGZLHIGSNWSK-UHFFFAOYSA-N 1 3 272.436 2.742 20 30 CFEDHO C(#CC[N@H+]1CCC2(CCC2)C1)CN1CCC2(CCC2)C1 ZINC000341869857 263360367 /nfs/dbraw/zinc/36/03/67/263360367.db2.gz APKGZLHIGSNWSK-UHFFFAOYSA-N 1 3 272.436 2.742 20 30 CFEDHO CC[N@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC1CC1 ZINC000356890453 266207326 /nfs/dbraw/zinc/20/73/26/266207326.db2.gz GYGSASYFHPRCKQ-CQSZACIVSA-N 1 3 291.439 2.507 20 30 CFEDHO CC[N@@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC1CC1 ZINC000356890453 266207331 /nfs/dbraw/zinc/20/73/31/266207331.db2.gz GYGSASYFHPRCKQ-CQSZACIVSA-N 1 3 291.439 2.507 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368568916 267187777 /nfs/dbraw/zinc/18/77/77/267187777.db2.gz SWPCGIMOMUMQON-UHFFFAOYSA-N 1 3 268.404 2.728 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368568916 267187779 /nfs/dbraw/zinc/18/77/79/267187779.db2.gz SWPCGIMOMUMQON-UHFFFAOYSA-N 1 3 268.404 2.728 20 30 CFEDHO C#Cc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000368568916 267187781 /nfs/dbraw/zinc/18/77/81/267187781.db2.gz SWPCGIMOMUMQON-UHFFFAOYSA-N 1 3 268.404 2.728 20 30 CFEDHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277192 279534036 /nfs/dbraw/zinc/53/40/36/279534036.db2.gz NWDXPEJGZBQBAA-PJODQICGSA-N 1 3 275.371 2.865 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000253146441 281079767 /nfs/dbraw/zinc/07/97/67/281079767.db2.gz KBNWOZUEBRWMPR-HOCLYGCPSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000253146441 281079768 /nfs/dbraw/zinc/07/97/68/281079768.db2.gz KBNWOZUEBRWMPR-HOCLYGCPSA-N 1 3 271.408 2.893 20 30 CFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264147168 328157592 /nfs/dbraw/zinc/15/75/92/328157592.db2.gz YBNIDCGBXJQJOP-OAHLLOKOSA-N 1 3 274.412 2.514 20 30 CFEDHO C=C(C)CN1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000177916373 329190451 /nfs/dbraw/zinc/19/04/51/329190451.db2.gz RGGPOAPRLUEENO-UHFFFAOYSA-N 1 3 293.499 2.879 20 30 CFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000185759819 329331356 /nfs/dbraw/zinc/33/13/56/329331356.db2.gz PPNBTWFAUSMTMS-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000185759819 329331357 /nfs/dbraw/zinc/33/13/57/329331357.db2.gz PPNBTWFAUSMTMS-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185759819 329331358 /nfs/dbraw/zinc/33/13/58/329331358.db2.gz PPNBTWFAUSMTMS-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)C(C)C ZINC000422828022 330156672 /nfs/dbraw/zinc/15/66/72/330156672.db2.gz FOVZMIPLNOIRHD-OKZBNKHCSA-N 1 3 293.499 2.935 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423096614 330169773 /nfs/dbraw/zinc/16/97/73/330169773.db2.gz PPTXYISWOAZADB-ICUGJSFKSA-N 1 3 292.467 2.868 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099781 330170080 /nfs/dbraw/zinc/17/00/80/330170080.db2.gz UHBLZHQWXMCWIZ-ZFVVBOAOSA-N 1 3 272.392 2.702 20 30 CFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012225 335171212 /nfs/dbraw/zinc/17/12/12/335171212.db2.gz GRXXAWWBSLBVGL-KBPBESRZSA-N 1 3 251.418 2.779 20 30 CFEDHO CC#CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381990518 336079780 /nfs/dbraw/zinc/07/97/80/336079780.db2.gz OYZOTJGHAZQAHK-RTBURBONSA-N 1 3 282.431 2.854 20 30 CFEDHO CC#CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381990518 336079782 /nfs/dbraw/zinc/07/97/82/336079782.db2.gz OYZOTJGHAZQAHK-RTBURBONSA-N 1 3 282.431 2.854 20 30 CFEDHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423167314 534179727 /nfs/dbraw/zinc/17/97/27/534179727.db2.gz SAYAGSKFBGSPIM-SCLBCKFNSA-N 1 3 297.377 2.745 20 30 CFEDHO C#CCN(CC)Cc1ccc(C[N@H+](CC)CC#C)cc1 ZINC000746456883 574149200 /nfs/dbraw/zinc/14/92/00/574149200.db2.gz PQAGEODQVRWWQS-UHFFFAOYSA-N 1 3 268.404 2.597 20 30 CFEDHO C#CCN(CC)Cc1ccc(C[N@@H+](CC)CC#C)cc1 ZINC000746456883 574149202 /nfs/dbraw/zinc/14/92/02/574149202.db2.gz PQAGEODQVRWWQS-UHFFFAOYSA-N 1 3 268.404 2.597 20 30 CFEDHO C=CC(C)(C)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925719604 618977333 /nfs/dbraw/zinc/97/73/33/618977333.db2.gz ASUQTCOYOLPVTP-RDBSUJKOSA-N 1 3 250.430 2.955 20 30 CFEDHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000925784257 619109376 /nfs/dbraw/zinc/10/93/76/619109376.db2.gz IIPHDLCKHRYEKY-SKDZVZGDSA-N 1 3 283.419 2.771 20 30 CFEDHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752073 621164547 /nfs/dbraw/zinc/16/45/47/621164547.db2.gz GCSXEQKDRVOOAR-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752073 621164548 /nfs/dbraw/zinc/16/45/48/621164548.db2.gz GCSXEQKDRVOOAR-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C#N)c1 ZINC000902752073 621164551 /nfs/dbraw/zinc/16/45/51/621164551.db2.gz GCSXEQKDRVOOAR-RDJZCZTQSA-N 1 3 271.408 2.941 20 30 CFEDHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cc(C#N)ccn1 ZINC000903059944 621237075 /nfs/dbraw/zinc/23/70/75/621237075.db2.gz XSVJTKAZJWBAFC-AWEZNQCLSA-N 1 3 298.434 2.726 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000903425127 621380135 /nfs/dbraw/zinc/38/01/35/621380135.db2.gz TYZPMBZYSUYHMI-GOEBONIOSA-N 1 3 271.408 2.734 20 30 CFEDHO C#CCSCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000773010577 627768574 /nfs/dbraw/zinc/76/85/74/627768574.db2.gz NSEYFTPVUUFFON-NVXWUHKLSA-N 1 3 294.508 2.986 20 30 CFEDHO C=CC[NH+](CC=C)[C@@H](CNc1ccnc(CO)c1)C(C)C ZINC000858340924 636198550 /nfs/dbraw/zinc/19/85/50/636198550.db2.gz SEIVQEMPGVIAJV-KRWDZBQOSA-N 1 3 289.423 2.684 20 30 CFEDHO CCC#C[C@H](C)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212304 636507329 /nfs/dbraw/zinc/50/73/29/636507329.db2.gz MNMCRDZSIATLCL-HNNXBMFYSA-N 1 3 258.409 2.982 20 30 CFEDHO C=CCC[C@H](CC)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246886 642094043 /nfs/dbraw/zinc/09/40/43/642094043.db2.gz CWVXNZDTZHLVOV-HNNXBMFYSA-N 1 3 299.422 2.560 20 30 CFEDHO C#CCCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876761041 642998770 /nfs/dbraw/zinc/99/87/70/642998770.db2.gz XOTYHBHJMXKSMW-QGZVFWFLSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000876811240 643021238 /nfs/dbraw/zinc/02/12/38/643021238.db2.gz JBQACVKVVAMCHQ-KZNAEPCWSA-N 1 3 292.467 2.754 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000877653590 643433316 /nfs/dbraw/zinc/43/33/16/643433316.db2.gz OCKBYQAZWBOBRI-INIZCTEOSA-N 1 3 250.430 2.892 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000303904032 651008182 /nfs/dbraw/zinc/00/81/82/651008182.db2.gz YOTVWRGTYDTMGI-HNNXBMFYSA-N 1 3 282.476 2.591 20 30 CFEDHO C[C@@H]1CCCN(C(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)C1 ZINC000303891232 651007395 /nfs/dbraw/zinc/00/73/95/651007395.db2.gz QLTDWLZAANIARV-ZMSDIMECSA-N 1 3 294.487 2.544 20 30 CFEDHO CC[C@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)N1CCCC1 ZINC000104166829 647552767 /nfs/dbraw/zinc/55/27/67/647552767.db2.gz DUUDBFVMMGZOGX-MRXNPFEDSA-N 1 3 288.439 2.904 20 30 CFEDHO C=CCSCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925591599 648230643 /nfs/dbraw/zinc/23/06/43/648230643.db2.gz RCDYNIOWZREOHK-GJZGRUSLSA-N 1 3 268.470 2.664 20 30 CFEDHO C[C@@H]([NH3+])[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000925656183 648264930 /nfs/dbraw/zinc/26/49/30/648264930.db2.gz WQWAGDNZRPXBBJ-ARAOSMHQSA-N 1 3 271.408 2.994 20 30 CFEDHO Cc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1C#N ZINC000925842108 648341701 /nfs/dbraw/zinc/34/17/01/648341701.db2.gz WHUAXZPMCDBGMN-CYBMUJFWSA-N 1 3 294.402 2.880 20 30 CFEDHO C=CCOc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1 ZINC001222533418 776167667 /nfs/dbraw/zinc/16/76/67/776167667.db2.gz YGNCVDQKMQSEKI-UHFFFAOYSA-N 1 3 278.371 2.514 20 30 CFEDHO SC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994698 777526711 /nfs/dbraw/zinc/52/67/11/777526711.db2.gz LBKNZWYRZFXPLU-YIONKMFJSA-N 1 3 280.481 2.786 20 30 CFEDHO SC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994698 777526721 /nfs/dbraw/zinc/52/67/21/777526721.db2.gz LBKNZWYRZFXPLU-YIONKMFJSA-N 1 3 280.481 2.786 20 30 CFEDHO SC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167994698 777526729 /nfs/dbraw/zinc/52/67/29/777526729.db2.gz LBKNZWYRZFXPLU-YIONKMFJSA-N 1 3 280.481 2.786 20 30 CFEDHO C#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001168003534 777568924 /nfs/dbraw/zinc/56/89/24/777568924.db2.gz OTQLQBGJECLYCI-JWTNVVGKSA-N 1 3 272.436 2.737 20 30 CFEDHO C#CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168003534 777568928 /nfs/dbraw/zinc/56/89/28/777568928.db2.gz OTQLQBGJECLYCI-JWTNVVGKSA-N 1 3 272.436 2.737 20 30 CFEDHO C#CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168003534 777568929 /nfs/dbraw/zinc/56/89/29/777568929.db2.gz OTQLQBGJECLYCI-JWTNVVGKSA-N 1 3 272.436 2.737 20 30 CFEDHO C=CCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235403531 778477974 /nfs/dbraw/zinc/47/79/74/778477974.db2.gz KZIFEKSQZNRQOL-GJZGRUSLSA-N 1 3 254.393 2.756 20 30 CFEDHO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235403531 778477976 /nfs/dbraw/zinc/47/79/76/778477976.db2.gz KZIFEKSQZNRQOL-GJZGRUSLSA-N 1 3 254.393 2.756 20 30 CFEDHO CCCCCCC[N@H+](C)Cc1ccc2n1CCNC2 ZINC001235662930 778530698 /nfs/dbraw/zinc/53/06/98/778530698.db2.gz MYZVIQLEHLSRMK-UHFFFAOYSA-N 1 3 263.429 2.994 20 30 CFEDHO CCCCCCC[N@@H+](C)Cc1ccc2n1CCNC2 ZINC001235662930 778530700 /nfs/dbraw/zinc/53/07/00/778530700.db2.gz MYZVIQLEHLSRMK-UHFFFAOYSA-N 1 3 263.429 2.994 20 30 CFEDHO C#CC1(NC2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001168368814 778628794 /nfs/dbraw/zinc/62/87/94/778628794.db2.gz POQJJOSBIRJCHZ-UHFFFAOYSA-N 1 3 260.425 2.787 20 30 CFEDHO CCCN(Cc1ccc(C#N)cc1CC)C[C@H]1CC[NH2+]C1 ZINC001236842805 778962659 /nfs/dbraw/zinc/96/26/59/778962659.db2.gz ALSIMICZGHCYFY-INIZCTEOSA-N 1 3 285.435 2.942 20 30 CFEDHO C#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000175008992 779537111 /nfs/dbraw/zinc/53/71/11/779537111.db2.gz FUMPILHIXMXGIY-SJORKVTESA-N 1 3 286.419 2.661 20 30 CFEDHO C[N@@H+]1C[C@@H]2CN(CCCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702390273 780918740 /nfs/dbraw/zinc/91/87/40/780918740.db2.gz VUJRGIOUVAURTB-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[N@H+]1C[C@@H]2CN(CCCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702390273 780918746 /nfs/dbraw/zinc/91/87/46/780918746.db2.gz VUJRGIOUVAURTB-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)CN(C)C ZINC000594521732 349440944 /nfs/dbraw/zinc/44/09/44/349440944.db2.gz UCNCGAVBLFUWQF-AWEZNQCLSA-N 1 3 273.424 2.775 20 30 CFEDHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595375849 349612165 /nfs/dbraw/zinc/61/21/65/349612165.db2.gz FAKHJLLJVFLCDR-QAPCUYQASA-N 1 3 285.435 2.763 20 30 CFEDHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595375849 349612166 /nfs/dbraw/zinc/61/21/66/349612166.db2.gz FAKHJLLJVFLCDR-QAPCUYQASA-N 1 3 285.435 2.763 20 30 CFEDHO CN(CC1CCN(c2cc[nH+]cc2)CC1)CC1(C#N)CC1 ZINC000354889372 529865970 /nfs/dbraw/zinc/86/59/70/529865970.db2.gz ZCDQFBKLFKNSMC-UHFFFAOYSA-N 1 3 284.407 2.534 20 30 CFEDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653296 349969735 /nfs/dbraw/zinc/96/97/35/349969735.db2.gz ZUKCVZAOWUQXSL-CYBMUJFWSA-N 1 3 294.402 2.614 20 30 CFEDHO N#Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000591573339 349030733 /nfs/dbraw/zinc/03/07/33/349030733.db2.gz NGCDSIBCAMPHOT-HIFRSBDPSA-N 1 3 277.799 2.819 20 30 CFEDHO C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000591578094 349031582 /nfs/dbraw/zinc/03/15/82/349031582.db2.gz XZGGAYZRQMKPBB-XCRHUMRWSA-N 1 3 283.419 2.913 20 30 CFEDHO C[N@@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497721 349430790 /nfs/dbraw/zinc/43/07/90/349430790.db2.gz DOZFXIGBXWGQJD-MRXNPFEDSA-N 1 3 285.435 2.919 20 30 CFEDHO C[N@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497721 349430795 /nfs/dbraw/zinc/43/07/95/349430795.db2.gz DOZFXIGBXWGQJD-MRXNPFEDSA-N 1 3 285.435 2.919 20 30 CFEDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009805 350015255 /nfs/dbraw/zinc/01/52/55/350015255.db2.gz LKAOAZHMBPCIPC-MRXNPFEDSA-N 1 3 283.419 2.625 20 30 CFEDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009805 350015257 /nfs/dbraw/zinc/01/52/57/350015257.db2.gz LKAOAZHMBPCIPC-MRXNPFEDSA-N 1 3 283.419 2.625 20 30 CFEDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000599071786 350370766 /nfs/dbraw/zinc/37/07/66/350370766.db2.gz SWIKSMHOZHEHNP-ZBFHGGJFSA-N 1 3 271.408 2.941 20 30 CFEDHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1C#N ZINC000599299443 350409399 /nfs/dbraw/zinc/40/93/99/350409399.db2.gz JQDJNJGQHVVOCR-INIZCTEOSA-N 1 3 271.408 2.640 20 30 CFEDHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1C#N ZINC000599299443 350409401 /nfs/dbraw/zinc/40/94/01/350409401.db2.gz JQDJNJGQHVVOCR-INIZCTEOSA-N 1 3 271.408 2.640 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000602019516 350833012 /nfs/dbraw/zinc/83/30/12/350833012.db2.gz FUMQIKBTEPXJDZ-IXDOHACOSA-N 1 3 271.408 2.618 20 30 CFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000602019516 350833013 /nfs/dbraw/zinc/83/30/13/350833013.db2.gz FUMQIKBTEPXJDZ-IXDOHACOSA-N 1 3 271.408 2.618 20 30 CFEDHO C[C@H](CCC#N)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000602479189 350899806 /nfs/dbraw/zinc/89/98/06/350899806.db2.gz FVTAIPVPLITWLJ-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000602479189 350899810 /nfs/dbraw/zinc/89/98/10/350899810.db2.gz FVTAIPVPLITWLJ-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000602479189 350899813 /nfs/dbraw/zinc/89/98/13/350899813.db2.gz FVTAIPVPLITWLJ-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](CCC#N)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000602479189 350899815 /nfs/dbraw/zinc/89/98/15/350899815.db2.gz FVTAIPVPLITWLJ-ZBFHGGJFSA-N 1 3 263.429 2.590 20 30 CFEDHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)CCC#N)C1 ZINC000602488665 350903872 /nfs/dbraw/zinc/90/38/72/350903872.db2.gz ZVGQSYWODPSYLT-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)CCC#N)C1 ZINC000602488665 350903877 /nfs/dbraw/zinc/90/38/77/350903877.db2.gz ZVGQSYWODPSYLT-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602488665 350903882 /nfs/dbraw/zinc/90/38/82/350903882.db2.gz ZVGQSYWODPSYLT-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602488665 350903886 /nfs/dbraw/zinc/90/38/86/350903886.db2.gz ZVGQSYWODPSYLT-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO C[C@H](CCC#N)C[NH2+]CCCN1CCC(C)CC1 ZINC000602505604 350908916 /nfs/dbraw/zinc/90/89/16/350908916.db2.gz ZGYKQRVIBALKSY-OAHLLOKOSA-N 1 3 251.418 2.638 20 30 CFEDHO CC[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602509792 350909763 /nfs/dbraw/zinc/90/97/63/350909763.db2.gz SWANKRNWTYBQOU-CVEARBPZSA-N 1 3 293.455 2.549 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000602516864 350912515 /nfs/dbraw/zinc/91/25/15/350912515.db2.gz SHKPYJRGKKMGCG-HNNXBMFYSA-N 1 3 289.423 2.656 20 30 CFEDHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)CCC#N)C1 ZINC000602474292 350896040 /nfs/dbraw/zinc/89/60/40/350896040.db2.gz GHZMVZCOUXOMAA-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602474292 350896041 /nfs/dbraw/zinc/89/60/41/350896041.db2.gz GHZMVZCOUXOMAA-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602474292 350896042 /nfs/dbraw/zinc/89/60/42/350896042.db2.gz GHZMVZCOUXOMAA-LSDHHAIUSA-N 1 3 251.418 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000602661046 350965430 /nfs/dbraw/zinc/96/54/30/350965430.db2.gz BRNIZEKJAPZRJG-GOEBONIOSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000602661046 350965433 /nfs/dbraw/zinc/96/54/33/350965433.db2.gz BRNIZEKJAPZRJG-GOEBONIOSA-N 1 3 263.429 2.590 20 30 CFEDHO C[NH+](C)CCCC1CCN(CC2(CC#N)CC2)CC1 ZINC000602802116 351030422 /nfs/dbraw/zinc/03/04/22/351030422.db2.gz WZZNBKPVOLDUJH-UHFFFAOYSA-N 1 3 263.429 2.734 20 30 CFEDHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907584 351063145 /nfs/dbraw/zinc/06/31/45/351063145.db2.gz OIUSWKVGKIXXNY-QGZVFWFLSA-N 1 3 298.434 2.617 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000271494305 191172438 /nfs/dbraw/zinc/17/24/38/191172438.db2.gz PNQZXZBUALYZFX-HLLBOEOZSA-N 1 3 286.419 2.517 20 30 CFEDHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000271642993 191254370 /nfs/dbraw/zinc/25/43/70/191254370.db2.gz HJQIATWPVOMIGH-CJNGLKHVSA-N 1 3 257.381 2.693 20 30 CFEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423098783 238199548 /nfs/dbraw/zinc/19/95/48/238199548.db2.gz LKVOTEFRFIYCAT-RCCFBDPRSA-N 1 3 283.419 2.611 20 30 CFEDHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270550 299369483 /nfs/dbraw/zinc/36/94/83/299369483.db2.gz GQVDZMJVMUYSGZ-VBNZEHGJSA-N 1 3 257.381 2.726 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000037644018 372677595 /nfs/dbraw/zinc/67/75/95/372677595.db2.gz AZAKLTRTMPQTND-ZFWWWQNUSA-N 1 3 257.381 2.551 20 30 CFEDHO N#Cc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197548 373794846 /nfs/dbraw/zinc/79/48/46/373794846.db2.gz KTPCRGHWFURZGJ-QGZVFWFLSA-N 1 3 269.392 2.522 20 30 CFEDHO C=CCC[C@H](CCC)[NH2+]CCCN1CCCN(C)CC1 ZINC000128683179 377353658 /nfs/dbraw/zinc/35/36/58/377353658.db2.gz MSJABVOWJMUZCA-KRWDZBQOSA-N 1 3 281.488 2.739 20 30 CFEDHO C#CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000131842128 377764987 /nfs/dbraw/zinc/76/49/87/377764987.db2.gz OSTQSQQJUWLNAF-AYHJJNSGSA-N 1 3 298.430 2.804 20 30 CFEDHO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000152066006 378389779 /nfs/dbraw/zinc/38/97/79/378389779.db2.gz FBSJWBYALGGIEI-KURKYZTESA-N 1 3 293.499 2.757 20 30 CFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008613 379978139 /nfs/dbraw/zinc/97/81/39/379978139.db2.gz ITRTZUUISFVHNK-HOTGVXAUSA-N 1 3 257.381 2.521 20 30 CFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008642 379978293 /nfs/dbraw/zinc/97/82/93/379978293.db2.gz ITRTZUUISFVHNK-CVEARBPZSA-N 1 3 257.381 2.521 20 30 CFEDHO C#CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000180168821 380628004 /nfs/dbraw/zinc/62/80/04/380628004.db2.gz OPMMPLKHYJDATM-CEXWTWQISA-N 1 3 282.431 2.900 20 30 CFEDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000181875223 380924013 /nfs/dbraw/zinc/92/40/13/380924013.db2.gz RSZVKTJLMZENIT-RHSMWYFYSA-N 1 3 289.423 2.566 20 30 CFEDHO C#Cc1ccc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000290296962 381373046 /nfs/dbraw/zinc/37/30/46/381373046.db2.gz HLVZBBYFPPQQQN-GOSISDBHSA-N 1 3 270.420 2.878 20 30 CFEDHO C=CCC[C@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000290511375 381458370 /nfs/dbraw/zinc/45/83/70/381458370.db2.gz YOSDKNXWUDRNDN-HNNXBMFYSA-N 1 3 291.439 2.856 20 30 CFEDHO C[C@@H]([NH2+]CCCCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185693252 381705574 /nfs/dbraw/zinc/70/55/74/381705574.db2.gz KEHDVHJKEILOFK-CABCVRRESA-N 1 3 263.429 2.923 20 30 CFEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000185878267 381765733 /nfs/dbraw/zinc/76/57/33/381765733.db2.gz PSCMXHACEFEDDX-SJORKVTESA-N 1 3 298.434 2.970 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000349755428 381986236 /nfs/dbraw/zinc/98/62/36/381986236.db2.gz GCWSGCJGQZRREU-UAGQMJEPSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000349755428 381986240 /nfs/dbraw/zinc/98/62/40/381986240.db2.gz GCWSGCJGQZRREU-UAGQMJEPSA-N 1 3 280.456 2.556 20 30 CFEDHO CC(C#N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000345763209 382312218 /nfs/dbraw/zinc/31/22/18/382312218.db2.gz MWEVIZUENVZKKZ-HNNXBMFYSA-N 1 3 299.418 2.838 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000366488640 382518950 /nfs/dbraw/zinc/51/89/50/382518950.db2.gz JKFVRDLDGJZYBO-QAPCUYQASA-N 1 3 299.418 2.505 20 30 CFEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000366488640 382518954 /nfs/dbraw/zinc/51/89/54/382518954.db2.gz JKFVRDLDGJZYBO-QAPCUYQASA-N 1 3 299.418 2.505 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000322852719 382540800 /nfs/dbraw/zinc/54/08/00/382540800.db2.gz QFHAVYHXXJAJRX-ALOPSCKCSA-N 1 3 286.419 2.966 20 30 CFEDHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccc(C#N)cc1F ZINC000423033519 383022756 /nfs/dbraw/zinc/02/27/56/383022756.db2.gz ONGRSHRZGRWXFX-VXGBXAGGSA-N 1 3 263.360 2.865 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449520377 383353174 /nfs/dbraw/zinc/35/31/74/383353174.db2.gz PEEMZMMIMIKOQQ-DDBAPUKQSA-N 1 3 292.467 2.963 20 30 CFEDHO C=CCC[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449702306 383362456 /nfs/dbraw/zinc/36/24/56/383362456.db2.gz YLMABTYACBBHEB-NXHRZFHOSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCC[C@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449702306 383362458 /nfs/dbraw/zinc/36/24/58/383362458.db2.gz YLMABTYACBBHEB-NXHRZFHOSA-N 1 3 294.483 2.946 20 30 CFEDHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1C#N ZINC000262391990 383619656 /nfs/dbraw/zinc/61/96/56/383619656.db2.gz BIWJJDVTJNONGS-QGZVFWFLSA-N 1 3 299.418 2.531 20 30 CFEDHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1C#N ZINC000262391986 383619676 /nfs/dbraw/zinc/61/96/76/383619676.db2.gz BIWJJDVTJNONGS-KRWDZBQOSA-N 1 3 299.418 2.531 20 30 CFEDHO C[C@@H]1C[C@H](NCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000273148203 385671546 /nfs/dbraw/zinc/67/15/46/385671546.db2.gz GYOBVIXZNSEBQO-NVXWUHKLSA-N 1 3 271.408 2.933 20 30 CFEDHO C[C@@H]1C[C@H](NCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000273148203 385671550 /nfs/dbraw/zinc/67/15/50/385671550.db2.gz GYOBVIXZNSEBQO-NVXWUHKLSA-N 1 3 271.408 2.933 20 30 CFEDHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339059617 393813488 /nfs/dbraw/zinc/81/34/88/393813488.db2.gz GHCPHIVLXMYWPH-FUHWJXTLSA-N 1 3 298.434 2.922 20 30 CFEDHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339059617 393813491 /nfs/dbraw/zinc/81/34/91/393813491.db2.gz GHCPHIVLXMYWPH-FUHWJXTLSA-N 1 3 298.434 2.922 20 30 CFEDHO CC#CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476991037 393962988 /nfs/dbraw/zinc/96/29/88/393962988.db2.gz YHDLXHIPVCIRGJ-MRXNPFEDSA-N 1 3 262.441 2.986 20 30 CFEDHO CC#CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476991037 393962989 /nfs/dbraw/zinc/96/29/89/393962989.db2.gz YHDLXHIPVCIRGJ-MRXNPFEDSA-N 1 3 262.441 2.986 20 30 CFEDHO C[N@@H+]1CCC[C@H](CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421376209 394208162 /nfs/dbraw/zinc/20/81/62/394208162.db2.gz DTQKBJHZMDOGQZ-CYBMUJFWSA-N 1 3 275.371 2.519 20 30 CFEDHO C[N@H+]1CCC[C@H](CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421376209 394208165 /nfs/dbraw/zinc/20/81/65/394208165.db2.gz DTQKBJHZMDOGQZ-CYBMUJFWSA-N 1 3 275.371 2.519 20 30 CFEDHO C#C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000297301322 394313969 /nfs/dbraw/zinc/31/39/69/394313969.db2.gz BEYAEZPBLOYUGW-INIZCTEOSA-N 1 3 271.408 2.688 20 30 CFEDHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(C#N)c1 ZINC000037229617 173049808 /nfs/dbraw/zinc/04/98/08/173049808.db2.gz RNDZHOGTVMRWPL-AWEZNQCLSA-N 1 3 257.381 2.695 20 30 CFEDHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000371506598 261269402 /nfs/dbraw/zinc/26/94/02/261269402.db2.gz SVJBSCGIDBHAMU-TWMKSMIVSA-N 1 3 293.455 2.548 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCNCC1 ZINC000335452305 303201452 /nfs/dbraw/zinc/20/14/52/303201452.db2.gz NRZCQBTUHLWRGI-KRWDZBQOSA-N 1 3 269.392 2.667 20 30 CFEDHO C[C@@H]1CN(CCC2CC[NH+](CCCC#N)CC2)C[C@@H](C)O1 ZINC000177491896 329184585 /nfs/dbraw/zinc/18/45/85/329184585.db2.gz WGXGMZBQPYYITI-HZPDHXFCSA-N 1 3 293.455 2.501 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)C(C)C ZINC000422828019 330156514 /nfs/dbraw/zinc/15/65/14/330156514.db2.gz FOVZMIPLNOIRHD-FGTMMUONSA-N 1 3 293.499 2.935 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423096717 330169898 /nfs/dbraw/zinc/16/98/98/330169898.db2.gz PPTXYISWOAZADB-ZKXLYKBJSA-N 1 3 292.467 2.868 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423165876 330174018 /nfs/dbraw/zinc/17/40/18/330174018.db2.gz BLWYJVQEOMGFMG-SOUVJXGZSA-N 1 3 263.429 2.827 20 30 CFEDHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423296570 330188716 /nfs/dbraw/zinc/18/87/16/330188716.db2.gz ZLFUYYSAOOPWAT-BJJXKVORSA-N 1 3 257.381 2.878 20 30 CFEDHO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423504389 330208606 /nfs/dbraw/zinc/20/86/06/330208606.db2.gz GFWJCGWQAVEICI-YQFWSFKMSA-N 1 3 258.409 2.932 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000113320946 526742969 /nfs/dbraw/zinc/74/29/69/526742969.db2.gz QWTBEZGREWBALO-QGZVFWFLSA-N 1 3 298.430 2.663 20 30 CFEDHO C=CC(C)(C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925683266 618468124 /nfs/dbraw/zinc/46/81/24/618468124.db2.gz NLISUSHJHXSELW-LSDHHAIUSA-N 1 3 250.430 2.957 20 30 CFEDHO CCCCCCCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902458190 621094870 /nfs/dbraw/zinc/09/48/70/621094870.db2.gz USPSBAOPXUULJI-TVXGVJEUSA-N 1 3 282.472 2.971 20 30 CFEDHO N#Cc1cc(Cl)cc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000903447224 621384900 /nfs/dbraw/zinc/38/49/00/621384900.db2.gz KDJHHYSCZISWBX-UHFFFAOYSA-N 1 3 289.810 2.787 20 30 CFEDHO C[NH2+]C[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000903712962 621430635 /nfs/dbraw/zinc/43/06/35/621430635.db2.gz CODIVSNKDDQDDZ-HNNXBMFYSA-N 1 3 263.429 2.782 20 30 CFEDHO N#CC1(CCCC[NH2+][C@H]2CCNC23CCC3)CCC1 ZINC000903769672 621437900 /nfs/dbraw/zinc/43/79/00/621437900.db2.gz LVYSUXQXTREEEI-AWEZNQCLSA-N 1 3 261.413 2.725 20 30 CFEDHO CCCCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760473 634826748 /nfs/dbraw/zinc/82/67/48/634826748.db2.gz GHOMIPWXPVNTAQ-MRXNPFEDSA-N 1 3 270.461 2.999 20 30 CFEDHO C#C[C@@H](CC)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809686216 631262810 /nfs/dbraw/zinc/26/28/10/631262810.db2.gz AYENJTONRXTLJK-KRWDZBQOSA-N 1 3 286.419 2.663 20 30 CFEDHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1 ZINC000817947645 632749438 /nfs/dbraw/zinc/74/94/38/632749438.db2.gz DSLWJNCYSGUDJC-AWEZNQCLSA-N 1 3 279.387 2.910 20 30 CFEDHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971905 650613117 /nfs/dbraw/zinc/61/31/17/650613117.db2.gz PRLMRWMEBJVAQP-DZGCQCFKSA-N 1 3 263.429 2.921 20 30 CFEDHO N#CCCNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223204 641707787 /nfs/dbraw/zinc/70/77/87/641707787.db2.gz OABXPECZUVJKKD-UHFFFAOYSA-N 1 3 271.408 2.792 20 30 CFEDHO C=C[C@H]1CCCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209903 642069329 /nfs/dbraw/zinc/06/93/29/642069329.db2.gz VPKHLIWXTOTFLC-ZDUSSCGKSA-N 1 3 262.422 2.934 20 30 CFEDHO CCN(CC)[C@@H](CNC(=[NH2+])N1CCCCC1)CC(C)C ZINC000303790352 651002851 /nfs/dbraw/zinc/00/28/51/651002851.db2.gz WCFKBLYMTSJVKG-OAHLLOKOSA-N 1 3 282.476 2.544 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000303889735 651006456 /nfs/dbraw/zinc/00/64/56/651006456.db2.gz MBPAZRGDDUPXMJ-LSDHHAIUSA-N 1 3 282.476 2.591 20 30 CFEDHO C#Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000883132637 645618773 /nfs/dbraw/zinc/61/87/73/645618773.db2.gz YWPYNEUZCAHDRP-INIZCTEOSA-N 1 3 256.393 2.630 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925654239 648263971 /nfs/dbraw/zinc/26/39/71/648263971.db2.gz FFTGCQFJPZFKCI-XDNAFOTISA-N 1 3 292.467 2.726 20 30 CFEDHO C[C@@H]([NH3+])[C@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000925656468 648264990 /nfs/dbraw/zinc/26/49/90/648264990.db2.gz WQWAGDNZRPXBBJ-VXTDNTOSSA-N 1 3 271.408 2.994 20 30 CFEDHO C=CCCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287035 649401431 /nfs/dbraw/zinc/40/14/31/649401431.db2.gz LAAWXJCSOHAGGB-UHFFFAOYSA-N 1 3 280.456 2.920 20 30 CFEDHO C=CCCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287035 649401434 /nfs/dbraw/zinc/40/14/34/649401434.db2.gz LAAWXJCSOHAGGB-UHFFFAOYSA-N 1 3 280.456 2.920 20 30 CFEDHO C#CCCCCCC[NH+]1CCC(C)(N(C)C)CC1 ZINC000931357174 649414668 /nfs/dbraw/zinc/41/46/68/649414668.db2.gz SCFUUJOCZITCIT-UHFFFAOYSA-N 1 3 250.430 2.986 20 30 CFEDHO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000931435134 649426149 /nfs/dbraw/zinc/42/61/49/649426149.db2.gz HJQUDKDELNTJFE-WBVHZDCISA-N 1 3 297.446 2.871 20 30 CFEDHO C[N@H+]1CC[C@@H]2CN(Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000931435134 649426152 /nfs/dbraw/zinc/42/61/52/649426152.db2.gz HJQUDKDELNTJFE-WBVHZDCISA-N 1 3 297.446 2.871 20 30 CFEDHO CCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235404053 778477913 /nfs/dbraw/zinc/47/79/13/778477913.db2.gz MBOXFDQXZXPBCI-HUUCEWRRSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235404053 778477916 /nfs/dbraw/zinc/47/79/16/778477916.db2.gz MBOXFDQXZXPBCI-HUUCEWRRSA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404053 778477918 /nfs/dbraw/zinc/47/79/18/778477918.db2.gz MBOXFDQXZXPBCI-HUUCEWRRSA-N 1 3 256.409 2.980 20 30 CFEDHO C=CCCCCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012816 778654155 /nfs/dbraw/zinc/65/41/55/778654155.db2.gz REYQWTHXSUXYOI-MSOLQXFVSA-N 1 3 270.420 2.816 20 30 CFEDHO CCCCCCCCC[N@@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236410523 778806885 /nfs/dbraw/zinc/80/68/85/778806885.db2.gz FTRGZKFHFJMZQM-GJZGRUSLSA-N 1 3 284.444 2.559 20 30 CFEDHO CCCCCCCCC[N@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236410523 778806894 /nfs/dbraw/zinc/80/68/94/778806894.db2.gz FTRGZKFHFJMZQM-GJZGRUSLSA-N 1 3 284.444 2.559 20 30 CFEDHO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000594914778 349503800 /nfs/dbraw/zinc/50/38/00/349503800.db2.gz LDPYRIODTMOSPN-INIZCTEOSA-N 1 3 295.430 2.816 20 30 CFEDHO C=CCCSCCNC1CC[NH+](C(C)C)CC1 ZINC000595059175 349570643 /nfs/dbraw/zinc/57/06/43/349570643.db2.gz MBNDTIFIXARCFY-UHFFFAOYSA-N 1 3 256.459 2.758 20 30 CFEDHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639108 349685458 /nfs/dbraw/zinc/68/54/58/349685458.db2.gz HGGXOTQSMRJMNC-INIZCTEOSA-N 1 3 271.408 2.867 20 30 CFEDHO C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@H]1CCN ZINC000595896634 349763974 /nfs/dbraw/zinc/76/39/74/349763974.db2.gz SLOHWTNVAUNONO-YOEHRIQHSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@H]1CCN ZINC000595896634 349763976 /nfs/dbraw/zinc/76/39/76/349763976.db2.gz SLOHWTNVAUNONO-YOEHRIQHSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@H]1CCCN(CCc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000595896634 349763980 /nfs/dbraw/zinc/76/39/80/349763980.db2.gz SLOHWTNVAUNONO-YOEHRIQHSA-N 1 3 271.408 2.550 20 30 CFEDHO C[C@@H](CNC(=[NH2+])Nc1ccccc1)N1CCC(C)CC1 ZINC000066243789 346751069 /nfs/dbraw/zinc/75/10/69/346751069.db2.gz GSNMZEVXWBMPLC-AWEZNQCLSA-N 1 3 274.412 2.534 20 30 CFEDHO C=CCCC[C@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559208 347592538 /nfs/dbraw/zinc/59/25/38/347592538.db2.gz KOBJOYIIVCTJAB-ZWKOTPCHSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCC[C@H](C)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000091559208 347592543 /nfs/dbraw/zinc/59/25/43/347592543.db2.gz KOBJOYIIVCTJAB-ZWKOTPCHSA-N 1 3 293.499 2.833 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000229150925 348198683 /nfs/dbraw/zinc/19/86/83/348198683.db2.gz PTZQTMFJTMNWKS-ZWKOTPCHSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000229150925 348198685 /nfs/dbraw/zinc/19/86/85/348198685.db2.gz PTZQTMFJTMNWKS-ZWKOTPCHSA-N 1 3 283.419 2.783 20 30 CFEDHO N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1Cl ZINC000591573283 349030874 /nfs/dbraw/zinc/03/08/74/349030874.db2.gz GCVNUGRAUNXAAC-CABCVRRESA-N 1 3 277.799 2.961 20 30 CFEDHO C[N@@H+]1C[C@@H](CN[C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401965 349116759 /nfs/dbraw/zinc/11/67/59/349116759.db2.gz FLSNTYLQBKHCOK-DDBAPUKQSA-N 1 3 283.419 2.614 20 30 CFEDHO C[N@H+]1C[C@@H](CN[C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401965 349116761 /nfs/dbraw/zinc/11/67/61/349116761.db2.gz FLSNTYLQBKHCOK-DDBAPUKQSA-N 1 3 283.419 2.614 20 30 CFEDHO C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000593324482 349247325 /nfs/dbraw/zinc/24/73/25/349247325.db2.gz WOVDRIPJSGKUKG-XJKSGUPXSA-N 1 3 257.381 2.578 20 30 CFEDHO C[N@H+](CCCNC[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598701534 350312629 /nfs/dbraw/zinc/31/26/29/350312629.db2.gz WQLBETWPEDQDBP-INIZCTEOSA-N 1 3 295.471 2.531 20 30 CFEDHO C[N@@H+](CCCNC[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598701534 350312631 /nfs/dbraw/zinc/31/26/31/350312631.db2.gz WQLBETWPEDQDBP-INIZCTEOSA-N 1 3 295.471 2.531 20 30 CFEDHO C[N@H+](CCCNC[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598701535 350312811 /nfs/dbraw/zinc/31/28/11/350312811.db2.gz WQLBETWPEDQDBP-MRXNPFEDSA-N 1 3 295.471 2.531 20 30 CFEDHO C[N@@H+](CCCNC[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598701535 350312813 /nfs/dbraw/zinc/31/28/13/350312813.db2.gz WQLBETWPEDQDBP-MRXNPFEDSA-N 1 3 295.471 2.531 20 30 CFEDHO N#C[C@@H]1CCC[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000602020036 350833808 /nfs/dbraw/zinc/83/38/08/350833808.db2.gz IHEZAABELGFVAL-CZUORRHYSA-N 1 3 269.392 2.504 20 30 CFEDHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000602022778 350834027 /nfs/dbraw/zinc/83/40/27/350834027.db2.gz VHHLVORPESZBAZ-OBJOEFQTSA-N 1 3 275.371 2.865 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000602518779 350912531 /nfs/dbraw/zinc/91/25/31/350912531.db2.gz RWJLUZSCGHTIHW-GJZGRUSLSA-N 1 3 251.418 2.638 20 30 CFEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602543356 350918499 /nfs/dbraw/zinc/91/84/99/350918499.db2.gz BVSYCOJQSRUIQO-GJZGRUSLSA-N 1 3 251.418 2.636 20 30 CFEDHO CC(C)C[N@H+](C)CCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602700677 350987078 /nfs/dbraw/zinc/98/70/78/350987078.db2.gz VNLDNSKTIWLASG-MRXNPFEDSA-N 1 3 295.471 2.653 20 30 CFEDHO CC(C)C[N@@H+](C)CCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602700677 350987082 /nfs/dbraw/zinc/98/70/82/350987082.db2.gz VNLDNSKTIWLASG-MRXNPFEDSA-N 1 3 295.471 2.653 20 30 CFEDHO C[C@H](NCC1(CC#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812593 351034876 /nfs/dbraw/zinc/03/48/76/351034876.db2.gz UEZHJXMGPGBSSV-LSDHHAIUSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@H](NCC1(CC#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602812593 351034877 /nfs/dbraw/zinc/03/48/77/351034877.db2.gz UEZHJXMGPGBSSV-LSDHHAIUSA-N 1 3 275.440 2.923 20 30 CFEDHO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000602812593 351034880 /nfs/dbraw/zinc/03/48/80/351034880.db2.gz UEZHJXMGPGBSSV-LSDHHAIUSA-N 1 3 275.440 2.923 20 30 CFEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000602877450 351055251 /nfs/dbraw/zinc/05/52/51/351055251.db2.gz OAMWNHDLMAXAPE-UHFFFAOYSA-N 1 3 287.382 2.615 20 30 CFEDHO C#CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291385268 198007205 /nfs/dbraw/zinc/00/72/05/198007205.db2.gz BTUCTTWQKWOAPJ-UHFFFAOYSA-N 1 3 268.404 2.608 20 30 CFEDHO N#Cc1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610432062 351566013 /nfs/dbraw/zinc/56/60/13/351566013.db2.gz RCBDSJBLGUCWOH-UHFFFAOYSA-N 1 3 292.386 2.666 20 30 CFEDHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000611388858 351679247 /nfs/dbraw/zinc/67/92/47/351679247.db2.gz KUQVCMNTOPUJLX-CJNGLKHVSA-N 1 3 257.381 2.693 20 30 CFEDHO C=CCOc1cccc(C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000291772546 198086843 /nfs/dbraw/zinc/08/68/43/198086843.db2.gz SZMWJOJBNNLYNV-CQSZACIVSA-N 1 3 262.397 2.539 20 30 CFEDHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000271642995 191255014 /nfs/dbraw/zinc/25/50/14/191255014.db2.gz HJQIATWPVOMIGH-XJKSGUPXSA-N 1 3 257.381 2.693 20 30 CFEDHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000271642994 191255863 /nfs/dbraw/zinc/25/58/63/191255863.db2.gz HJQIATWPVOMIGH-CZUORRHYSA-N 1 3 257.381 2.693 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414907572 540830258 /nfs/dbraw/zinc/83/02/58/540830258.db2.gz AORWJDIPTNNUTN-LSDHHAIUSA-N 1 3 290.407 2.620 20 30 CFEDHO C[NH+](C)Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000011094405 371917894 /nfs/dbraw/zinc/91/78/94/371917894.db2.gz VKRVZGYNBRVLLM-UHFFFAOYSA-N 1 3 279.387 2.910 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000037644235 372681958 /nfs/dbraw/zinc/68/19/58/372681958.db2.gz MSTMGXDGDVIXCH-MRXNPFEDSA-N 1 3 274.408 2.683 20 30 CFEDHO C=C(C)CNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000104162950 375771923 /nfs/dbraw/zinc/77/19/23/375771923.db2.gz NBEQLSVGPALYSU-UHFFFAOYSA-N 1 3 288.439 2.507 20 30 CFEDHO N#CCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134900198 378061144 /nfs/dbraw/zinc/06/11/44/378061144.db2.gz XIPOWVCFFXAONL-ZBFHGGJFSA-N 1 3 261.413 2.629 20 30 CFEDHO N#CCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134900198 378061146 /nfs/dbraw/zinc/06/11/46/378061146.db2.gz XIPOWVCFFXAONL-ZBFHGGJFSA-N 1 3 261.413 2.629 20 30 CFEDHO N#CCSCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134906062 378062462 /nfs/dbraw/zinc/06/24/62/378062462.db2.gz MXWVYDLDOSYBKW-ZBFHGGJFSA-N 1 3 293.480 2.582 20 30 CFEDHO N#CCSCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134906062 378062469 /nfs/dbraw/zinc/06/24/69/378062469.db2.gz MXWVYDLDOSYBKW-ZBFHGGJFSA-N 1 3 293.480 2.582 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135672149 378154508 /nfs/dbraw/zinc/15/45/08/378154508.db2.gz OOCDHPCZJKXMPF-UHFFFAOYSA-N 1 3 263.410 2.584 20 30 CFEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(C#N)o2)C1 ZINC000174273123 379855935 /nfs/dbraw/zinc/85/59/35/379855935.db2.gz OJSZOTPTZFQBLX-GJZGRUSLSA-N 1 3 289.423 2.999 20 30 CFEDHO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185693199 381706381 /nfs/dbraw/zinc/70/63/81/381706381.db2.gz KEHDVHJKEILOFK-LSDHHAIUSA-N 1 3 263.429 2.923 20 30 CFEDHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185881031 381765202 /nfs/dbraw/zinc/76/52/02/381765202.db2.gz INWYNOCAKASQAZ-WMLDXEAASA-N 1 3 271.408 2.920 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185881031 381765209 /nfs/dbraw/zinc/76/52/09/381765209.db2.gz INWYNOCAKASQAZ-WMLDXEAASA-N 1 3 271.408 2.920 20 30 CFEDHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185881048 381767162 /nfs/dbraw/zinc/76/71/62/381767162.db2.gz INWYNOCAKASQAZ-YOEHRIQHSA-N 1 3 271.408 2.920 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185881048 381767168 /nfs/dbraw/zinc/76/71/68/381767168.db2.gz INWYNOCAKASQAZ-YOEHRIQHSA-N 1 3 271.408 2.920 20 30 CFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355790681 381805361 /nfs/dbraw/zinc/80/53/61/381805361.db2.gz YAXSMNXUVPFKID-IBGZPJMESA-N 1 3 282.431 2.998 20 30 CFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355790681 381805366 /nfs/dbraw/zinc/80/53/66/381805366.db2.gz YAXSMNXUVPFKID-IBGZPJMESA-N 1 3 282.431 2.998 20 30 CFEDHO C=CCCCCCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373239488 381957356 /nfs/dbraw/zinc/95/73/56/381957356.db2.gz ARSGZIDOVGMBAP-SFHVURJKSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373239488 381957363 /nfs/dbraw/zinc/95/73/63/381957363.db2.gz ARSGZIDOVGMBAP-SFHVURJKSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000373239488 381957372 /nfs/dbraw/zinc/95/73/72/381957372.db2.gz ARSGZIDOVGMBAP-SFHVURJKSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000373239488 381957379 /nfs/dbraw/zinc/95/73/79/381957379.db2.gz ARSGZIDOVGMBAP-SFHVURJKSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343992063 382054477 /nfs/dbraw/zinc/05/44/77/382054477.db2.gz RBSZMLHZBSYZCP-GJZGRUSLSA-N 1 3 291.439 2.712 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000345819646 382316027 /nfs/dbraw/zinc/31/60/27/382316027.db2.gz SBZKBMIMPUDBPL-CABCVRRESA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345819646 382316034 /nfs/dbraw/zinc/31/60/34/382316034.db2.gz SBZKBMIMPUDBPL-CABCVRRESA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000345820607 382316410 /nfs/dbraw/zinc/31/64/10/382316410.db2.gz USYKGVXXTWKLAG-HUUCEWRRSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000345820607 382316413 /nfs/dbraw/zinc/31/64/13/382316413.db2.gz USYKGVXXTWKLAG-HUUCEWRRSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000346685004 382471403 /nfs/dbraw/zinc/47/14/03/382471403.db2.gz HYLJSDLQHUIFGF-BFYDXBDKSA-N 1 3 299.418 2.658 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000346685004 382471408 /nfs/dbraw/zinc/47/14/08/382471408.db2.gz HYLJSDLQHUIFGF-BFYDXBDKSA-N 1 3 299.418 2.658 20 30 CFEDHO CC#CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381990516 382527218 /nfs/dbraw/zinc/52/72/18/382527218.db2.gz OYZOTJGHAZQAHK-RBUKOAKNSA-N 1 3 282.431 2.854 20 30 CFEDHO CC#CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381990516 382527219 /nfs/dbraw/zinc/52/72/19/382527219.db2.gz OYZOTJGHAZQAHK-RBUKOAKNSA-N 1 3 282.431 2.854 20 30 CFEDHO N#C[C@H]1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000583815916 383093004 /nfs/dbraw/zinc/09/30/04/383093004.db2.gz FEPVXVMYKPRKPB-HOTGVXAUSA-N 1 3 284.407 2.580 20 30 CFEDHO C[C@@H]1C[C@@H](CCNCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117358 383184195 /nfs/dbraw/zinc/18/41/95/383184195.db2.gz UNKYUVAGXKHOOY-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO C[C@@H]1C[C@@H](CCNCCC#N)C[N@H+]1Cc1ccccc1 ZINC000566117358 383184196 /nfs/dbraw/zinc/18/41/96/383184196.db2.gz UNKYUVAGXKHOOY-NVXWUHKLSA-N 1 3 271.408 2.790 20 30 CFEDHO C=CCCCC[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449079670 383164948 /nfs/dbraw/zinc/16/49/48/383164948.db2.gz ZUDXKDJWOKETQW-MRXNPFEDSA-N 1 3 281.488 2.737 20 30 CFEDHO C=CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248576803 383264641 /nfs/dbraw/zinc/26/46/41/383264641.db2.gz NOONBXYZMKKQTC-VYDXJSESSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576803 383264645 /nfs/dbraw/zinc/26/46/45/383264645.db2.gz NOONBXYZMKKQTC-VYDXJSESSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576803 383264650 /nfs/dbraw/zinc/26/46/50/383264650.db2.gz NOONBXYZMKKQTC-VYDXJSESSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471842829 383380014 /nfs/dbraw/zinc/38/00/14/383380014.db2.gz DKUUOEKKUWWCFN-IRXDYDNUSA-N 1 3 258.409 2.845 20 30 CFEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000436279949 383799252 /nfs/dbraw/zinc/79/92/52/383799252.db2.gz AQECMVWVSUHRMZ-GDBMZVCRSA-N 1 3 280.456 2.820 20 30 CFEDHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(C#N)cc1 ZINC000423192502 533385615 /nfs/dbraw/zinc/38/56/15/533385615.db2.gz VNSOEJQPZQIFHE-OAHLLOKOSA-N 1 3 294.402 2.784 20 30 CFEDHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600362 393682769 /nfs/dbraw/zinc/68/27/69/393682769.db2.gz LCZXKJUWRFYPNR-WEOZKBJRSA-N 1 3 297.446 2.978 20 30 CFEDHO N#CCC1(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000366817735 394248009 /nfs/dbraw/zinc/24/80/09/394248009.db2.gz CXJDZQVCVCZDLY-UHFFFAOYSA-N 1 3 261.413 2.677 20 30 CFEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421329358 394189303 /nfs/dbraw/zinc/18/93/03/394189303.db2.gz VJLDWPUFVICWAW-AWEZNQCLSA-N 1 3 275.371 2.519 20 30 CFEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000648450309 395148784 /nfs/dbraw/zinc/14/87/84/395148784.db2.gz AFUKVGWTSLIGSU-IAGOWNOFSA-N 1 3 293.499 2.879 20 30 CFEDHO C=CCOCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000348027804 397657788 /nfs/dbraw/zinc/65/77/88/397657788.db2.gz GKTKGPJQWWBEHT-HZPDHXFCSA-N 1 3 280.456 2.822 20 30 CFEDHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(C#N)cc1 ZINC000020129004 171016172 /nfs/dbraw/zinc/01/61/72/171016172.db2.gz RJTWZSIKYDKUPK-AWEZNQCLSA-N 1 3 257.381 2.695 20 30 CFEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658140016 414231503 /nfs/dbraw/zinc/23/15/03/414231503.db2.gz RWIQZIYQRQILKK-QAPCUYQASA-N 1 3 288.435 2.698 20 30 CFEDHO C=CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CCCC1 ZINC000665236267 414194704 /nfs/dbraw/zinc/19/47/04/414194704.db2.gz JMSIAMZYILCWIK-ARFHVFGLSA-N 1 3 280.456 2.855 20 30 CFEDHO C=CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CCCC1 ZINC000665236268 414194817 /nfs/dbraw/zinc/19/48/17/414194817.db2.gz JMSIAMZYILCWIK-BZUAXINKSA-N 1 3 280.456 2.855 20 30 CFEDHO C=CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662255881 414478494 /nfs/dbraw/zinc/47/84/94/414478494.db2.gz SBZJANTYYAZJNR-UHFFFAOYSA-N 1 3 256.393 2.730 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000449092281 260210463 /nfs/dbraw/zinc/21/04/63/260210463.db2.gz TYAFLENREHDUCH-PWUWZPNHSA-N 1 3 261.413 2.675 20 30 CFEDHO CCCCCCNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000104171736 260619947 /nfs/dbraw/zinc/61/99/47/260619947.db2.gz UIUWIAZRYGUHEI-UHFFFAOYSA-N 1 3 290.455 2.733 20 30 CFEDHO C=CCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414813762 263053283 /nfs/dbraw/zinc/05/32/83/263053283.db2.gz YQWZBARMFVBRBP-RDJZCZTQSA-N 1 3 274.408 2.859 20 30 CFEDHO C[C@H]1CCCCN1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288693176 263105518 /nfs/dbraw/zinc/10/55/18/263105518.db2.gz KFDUFHMROSMWPG-NSHDSACASA-N 1 3 296.365 2.566 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119669154 263276445 /nfs/dbraw/zinc/27/64/45/263276445.db2.gz SFVJZVURBPJVTQ-OAHLLOKOSA-N 1 3 298.430 2.976 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000345754251 265096910 /nfs/dbraw/zinc/09/69/10/265096910.db2.gz DONXLSNYARXECE-HNNXBMFYSA-N 1 3 299.418 2.838 20 30 CFEDHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423400841 288090152 /nfs/dbraw/zinc/09/01/52/288090152.db2.gz QKSPBLCOPKDPKE-RCBQFDQVSA-N 1 3 257.381 2.597 20 30 CFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224629 289303460 /nfs/dbraw/zinc/30/34/60/289303460.db2.gz SPAFYIWMZOMNQK-LVDPKSTMSA-N 1 3 263.429 2.921 20 30 CFEDHO C[C@@H](NCCCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000273179497 328204282 /nfs/dbraw/zinc/20/42/82/328204282.db2.gz DUPJNGYKFCBVOM-CQSZACIVSA-N 1 3 275.396 2.581 20 30 CFEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000185843021 329330294 /nfs/dbraw/zinc/33/02/94/329330294.db2.gz OOBRQBQGIKCHGU-WCXIOVBPSA-N 1 3 293.455 2.548 20 30 CFEDHO CC1CCN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185760569 329331261 /nfs/dbraw/zinc/33/12/61/329331261.db2.gz GSNQEWZPXAZAIS-CVEARBPZSA-N 1 3 263.429 2.780 20 30 CFEDHO CC1CC[NH+](CCCN[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185760569 329331263 /nfs/dbraw/zinc/33/12/63/329331263.db2.gz GSNQEWZPXAZAIS-CVEARBPZSA-N 1 3 263.429 2.780 20 30 CFEDHO N#CC[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423153174 330173209 /nfs/dbraw/zinc/17/32/09/330173209.db2.gz GHFGGAOSLZESPQ-APYUEPQZSA-N 1 3 255.365 2.803 20 30 CFEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423155247 330173433 /nfs/dbraw/zinc/17/34/33/330173433.db2.gz QIVRMJVYATYLBB-JONQDZQNSA-N 1 3 266.429 2.620 20 30 CFEDHO C=CCOc1cccc(CN2CCC(C[NH2+]C)CC2)c1 ZINC000347084484 526898615 /nfs/dbraw/zinc/89/86/15/526898615.db2.gz CCAPCMZXHLMVMZ-UHFFFAOYSA-N 1 3 274.408 2.683 20 30 CFEDHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(C)C#N ZINC000347876923 528126668 /nfs/dbraw/zinc/12/66/68/528126668.db2.gz YKIMWXDBGKOUOZ-CYBMUJFWSA-N 1 3 293.436 2.578 20 30 CFEDHO C=CCN(C[C@H](O)C[NH+]1CCCC1)CC1CCCCC1 ZINC000732694932 574165792 /nfs/dbraw/zinc/16/57/92/574165792.db2.gz FSLIICKTZWMUKE-QGZVFWFLSA-N 1 3 280.456 2.511 20 30 CFEDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000925694558 618941900 /nfs/dbraw/zinc/94/19/00/618941900.db2.gz UORFGZRUZVAYGY-UONOGXRCSA-N 1 3 275.371 2.693 20 30 CFEDHO CC(C)(CC#N)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925696148 618948255 /nfs/dbraw/zinc/94/82/55/618948255.db2.gz STZDJAGUPNNOLF-GJZGRUSLSA-N 1 3 263.429 2.684 20 30 CFEDHO Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1C#N ZINC000925839153 619172097 /nfs/dbraw/zinc/17/20/97/619172097.db2.gz PWLYOIKONPHNCB-HOTGVXAUSA-N 1 3 257.381 2.616 20 30 CFEDHO C[C@@H]1C[C@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@H]1CN ZINC000903459953 621381149 /nfs/dbraw/zinc/38/11/49/621381149.db2.gz RXUWFMDVPHXYDQ-AKZYDZMLSA-N 1 3 263.429 2.622 20 30 CFEDHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCC(C#N)CC2)C[C@H]1CN ZINC000903459953 621381153 /nfs/dbraw/zinc/38/11/53/621381153.db2.gz RXUWFMDVPHXYDQ-AKZYDZMLSA-N 1 3 263.429 2.622 20 30 CFEDHO N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC000903763217 621436708 /nfs/dbraw/zinc/43/67/08/621436708.db2.gz IQFFWOTZOGNUEA-RDJZCZTQSA-N 1 3 275.440 2.911 20 30 CFEDHO N#CC1(CCCC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC000903763217 621436711 /nfs/dbraw/zinc/43/67/11/621436711.db2.gz IQFFWOTZOGNUEA-RDJZCZTQSA-N 1 3 275.440 2.911 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]2CC[C@]21CN ZINC000903805493 621445550 /nfs/dbraw/zinc/44/55/50/621445550.db2.gz PARXJVASIUMZRG-WMZOPIPTSA-N 1 3 283.419 2.878 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2CC[C@]21CN ZINC000903805493 621445551 /nfs/dbraw/zinc/44/55/51/621445551.db2.gz PARXJVASIUMZRG-WMZOPIPTSA-N 1 3 283.419 2.878 20 30 CFEDHO C=CCSCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231933677 623375462 /nfs/dbraw/zinc/37/54/62/623375462.db2.gz YHEMWEBBFTWRAZ-UONOGXRCSA-N 1 3 256.459 2.806 20 30 CFEDHO C[NH+](C)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929637307 623497946 /nfs/dbraw/zinc/49/79/46/623497946.db2.gz HJIRDLZSEZLPGZ-HNNXBMFYSA-N 1 3 263.429 2.734 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637828 623498810 /nfs/dbraw/zinc/49/88/10/623498810.db2.gz QCBZTGNZKPRRFI-HNNXBMFYSA-N 1 3 271.408 2.559 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637828 623498814 /nfs/dbraw/zinc/49/88/14/623498814.db2.gz QCBZTGNZKPRRFI-HNNXBMFYSA-N 1 3 271.408 2.559 20 30 CFEDHO Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1C#N ZINC000922760270 626359689 /nfs/dbraw/zinc/35/96/89/626359689.db2.gz QZSBPLODVBLIIZ-INIZCTEOSA-N 1 3 271.408 2.829 20 30 CFEDHO N#CC1CCC(C[N@@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC000923530436 626478862 /nfs/dbraw/zinc/47/88/62/626478862.db2.gz ITODCALQVSAVNC-UYSNPLJNSA-N 1 3 261.413 2.534 20 30 CFEDHO N#CC1CCC(C[N@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC000923530436 626478863 /nfs/dbraw/zinc/47/88/63/626478863.db2.gz ITODCALQVSAVNC-UYSNPLJNSA-N 1 3 261.413 2.534 20 30 CFEDHO C[NH+]1CCC2(CCCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000798956916 630263765 /nfs/dbraw/zinc/26/37/65/630263765.db2.gz QAMFEJMMYSJQLM-UHFFFAOYSA-N 1 3 289.448 2.928 20 30 CFEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])Nc2ccccc2)(N(C)C)C1 ZINC000203057128 637378416 /nfs/dbraw/zinc/37/84/16/637378416.db2.gz AUMNVKCYMQLSHF-PBHICJAKSA-N 1 3 288.439 2.924 20 30 CFEDHO C#CCCCCCC[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000877524648 643328715 /nfs/dbraw/zinc/32/87/15/643328715.db2.gz AFJIMJBTIQBAET-MRXNPFEDSA-N 1 3 250.430 2.890 20 30 CFEDHO C#CCCCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000878162436 643768624 /nfs/dbraw/zinc/76/86/24/643768624.db2.gz NGVCHDXBCYNRBD-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO C#CCCCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000878162436 643768628 /nfs/dbraw/zinc/76/86/28/643768628.db2.gz NGVCHDXBCYNRBD-INIZCTEOSA-N 1 3 250.430 2.844 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000303889468 651006446 /nfs/dbraw/zinc/00/64/46/651006446.db2.gz LXCMBLAQEURFOF-LSDHHAIUSA-N 1 3 288.439 2.985 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)[C@@H]1CCCO1 ZINC000883174218 645640664 /nfs/dbraw/zinc/64/06/64/645640664.db2.gz FLWWZUIYFWCHDA-IKGGRYGDSA-N 1 3 280.456 2.822 20 30 CFEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CCCO1 ZINC000883195147 645655221 /nfs/dbraw/zinc/65/52/21/645655221.db2.gz LRWZCXLOXVKQNQ-WCXIOVBPSA-N 1 3 280.456 2.963 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000883390154 645788461 /nfs/dbraw/zinc/78/84/61/645788461.db2.gz GRCLQZDFRXUKOM-NXHRZFHOSA-N 1 3 294.483 2.946 20 30 CFEDHO C=CCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235403536 778477987 /nfs/dbraw/zinc/47/79/87/778477987.db2.gz KZIFEKSQZNRQOL-LSDHHAIUSA-N 1 3 254.393 2.756 20 30 CFEDHO C=CCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235403536 778477991 /nfs/dbraw/zinc/47/79/91/778477991.db2.gz KZIFEKSQZNRQOL-LSDHHAIUSA-N 1 3 254.393 2.756 20 30 CFEDHO N#Cc1ccc(/C=C/c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001239297104 779505081 /nfs/dbraw/zinc/50/50/81/779505081.db2.gz LCJBOIPLAZRBGW-AATRIKPKSA-N 1 3 290.370 2.533 20 30 CFEDHO CCCCCCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626643 781779988 /nfs/dbraw/zinc/77/99/88/781779988.db2.gz IJMHILBHBMUOQF-MRXNPFEDSA-N 1 3 297.487 2.537 20 30 CFEDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594925153 349511248 /nfs/dbraw/zinc/51/12/48/349511248.db2.gz LKHHCQJDZPJPEB-INIZCTEOSA-N 1 3 283.419 2.673 20 30 CFEDHO C[C@H]1CN(CC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000069016831 346879782 /nfs/dbraw/zinc/87/97/82/346879782.db2.gz CQZFMXLVOBWYFD-HOTGVXAUSA-N 1 3 293.455 2.501 20 30 CFEDHO N#Cc1ccc(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000595895751 349764605 /nfs/dbraw/zinc/76/46/05/349764605.db2.gz UKONSEKYOHKBMT-MSOLQXFVSA-N 1 3 283.419 2.565 20 30 CFEDHO CCNC(NCc1ccccc1CN(C)C(C)C)=[NH+]CC ZINC000066243097 346751504 /nfs/dbraw/zinc/75/15/04/346751504.db2.gz AVWPPXJSLDAKEY-UHFFFAOYSA-N 1 3 290.455 2.602 20 30 CFEDHO C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000591578091 349032157 /nfs/dbraw/zinc/03/21/57/349032157.db2.gz XZGGAYZRQMKPBB-FDQGKXFDSA-N 1 3 283.419 2.913 20 30 CFEDHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581398 349032592 /nfs/dbraw/zinc/03/25/92/349032592.db2.gz VHKXEOORPQKXQU-CSMYWGQOSA-N 1 3 269.392 2.523 20 30 CFEDHO Cc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C#N ZINC000600712298 350600187 /nfs/dbraw/zinc/60/01/87/350600187.db2.gz WQWCCYGVHQGOAL-QGZVFWFLSA-N 1 3 283.419 2.688 20 30 CFEDHO CC[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602509793 350909795 /nfs/dbraw/zinc/90/97/95/350909795.db2.gz SWANKRNWTYBQOU-HOTGVXAUSA-N 1 3 293.455 2.549 20 30 CFEDHO CC(C)(C[NH2+]C1CCC(C#N)CC1)CN1CCCC1 ZINC000602631663 350953139 /nfs/dbraw/zinc/95/31/39/350953139.db2.gz QDTNNPSAYVFRBA-UHFFFAOYSA-N 1 3 263.429 2.780 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1OC ZINC000291724078 198071278 /nfs/dbraw/zinc/07/12/78/198071278.db2.gz MYLHGUFWBYVGFI-AWEZNQCLSA-N 1 3 292.423 2.547 20 30 CFEDHO C#CCOc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271885141 191388793 /nfs/dbraw/zinc/38/87/93/191388793.db2.gz QLWFFXGCZXEXMN-OAHLLOKOSA-N 1 3 284.403 2.611 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644417 372680517 /nfs/dbraw/zinc/68/05/17/372680517.db2.gz YANBGHFCZOMOFL-LSDHHAIUSA-N 1 3 287.407 2.581 20 30 CFEDHO CC(C)N(C)Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000264136412 383699273 /nfs/dbraw/zinc/69/92/73/383699273.db2.gz VKYWIBKENAIVME-UHFFFAOYSA-N 1 3 290.455 2.730 20 30 CFEDHO C=CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821219 375161269 /nfs/dbraw/zinc/16/12/69/375161269.db2.gz CSDZUMUPOVQQJN-UHFFFAOYSA-N 1 3 259.397 2.806 20 30 CFEDHO C=CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821219 375161273 /nfs/dbraw/zinc/16/12/73/375161273.db2.gz CSDZUMUPOVQQJN-UHFFFAOYSA-N 1 3 259.397 2.806 20 30 CFEDHO N#CC1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000334384814 379202401 /nfs/dbraw/zinc/20/24/01/379202401.db2.gz MGBJFBDYWYEQOO-FJBKBRRZSA-N 1 3 261.413 2.533 20 30 CFEDHO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccccn1)CC(C)C ZINC000170910348 379192132 /nfs/dbraw/zinc/19/21/32/379192132.db2.gz VOZOJRRKOSAIBG-AWEZNQCLSA-N 1 3 291.443 2.565 20 30 CFEDHO C=C(CC)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358515268 380898551 /nfs/dbraw/zinc/89/85/51/380898551.db2.gz XTFSNFJEBVIIIN-HZPDHXFCSA-N 1 3 280.456 2.774 20 30 CFEDHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000354107733 381084475 /nfs/dbraw/zinc/08/44/75/381084475.db2.gz SAYILSDLJWMQNM-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000354107733 381084480 /nfs/dbraw/zinc/08/44/80/381084480.db2.gz SAYILSDLJWMQNM-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000354107733 381084483 /nfs/dbraw/zinc/08/44/83/381084483.db2.gz SAYILSDLJWMQNM-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000354107733 381084489 /nfs/dbraw/zinc/08/44/89/381084489.db2.gz SAYILSDLJWMQNM-INIZCTEOSA-N 1 3 277.456 2.980 20 30 CFEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719581 381496862 /nfs/dbraw/zinc/49/68/62/381496862.db2.gz GKUJGJHUTNAXCK-YJBOKZPZSA-N 1 3 285.435 2.915 20 30 CFEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719581 381496868 /nfs/dbraw/zinc/49/68/68/381496868.db2.gz GKUJGJHUTNAXCK-YJBOKZPZSA-N 1 3 285.435 2.915 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000371834026 381708715 /nfs/dbraw/zinc/70/87/15/381708715.db2.gz GMCISZBSGCMJNW-QGZVFWFLSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000371834026 381708721 /nfs/dbraw/zinc/70/87/21/381708721.db2.gz GMCISZBSGCMJNW-QGZVFWFLSA-N 1 3 280.456 2.558 20 30 CFEDHO C=CCC[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000343468011 381734905 /nfs/dbraw/zinc/73/49/05/381734905.db2.gz KWEKKXGYLRZSGM-UHFFFAOYSA-N 1 3 287.451 2.836 20 30 CFEDHO C=CCC[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000343468011 381734914 /nfs/dbraw/zinc/73/49/14/381734914.db2.gz KWEKKXGYLRZSGM-UHFFFAOYSA-N 1 3 287.451 2.836 20 30 CFEDHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185881068 381767036 /nfs/dbraw/zinc/76/70/36/381767036.db2.gz INWYNOCAKASQAZ-RHSMWYFYSA-N 1 3 271.408 2.920 20 30 CFEDHO C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185881068 381767042 /nfs/dbraw/zinc/76/70/42/381767042.db2.gz INWYNOCAKASQAZ-RHSMWYFYSA-N 1 3 271.408 2.920 20 30 CFEDHO CC#CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362395263 382048488 /nfs/dbraw/zinc/04/84/88/382048488.db2.gz IBEMXGFKKIBBAX-UHFFFAOYSA-N 1 3 282.431 2.998 20 30 CFEDHO C=C(C)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374840890 382058197 /nfs/dbraw/zinc/05/81/97/382058197.db2.gz FHLCGVBDAIWMQL-UHFFFAOYSA-N 1 3 259.397 2.806 20 30 CFEDHO C=C(C)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374840890 382058200 /nfs/dbraw/zinc/05/82/00/382058200.db2.gz FHLCGVBDAIWMQL-UHFFFAOYSA-N 1 3 259.397 2.806 20 30 CFEDHO C#CC[C@@H](C)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000366521272 382525892 /nfs/dbraw/zinc/52/58/92/382525892.db2.gz PMFCPKNXGHSOFF-WBVHZDCISA-N 1 3 298.430 2.976 20 30 CFEDHO C=CCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346848489 382542276 /nfs/dbraw/zinc/54/22/76/382542276.db2.gz DVAQAKAVTUKIOT-CGTJXYLNSA-N 1 3 286.419 2.811 20 30 CFEDHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423436342 383096093 /nfs/dbraw/zinc/09/60/93/383096093.db2.gz LRTQLZGNQNAGEG-XQAQDONZSA-N 1 3 287.382 2.736 20 30 CFEDHO CC[C@@H](N)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423440720 383097082 /nfs/dbraw/zinc/09/70/82/383097082.db2.gz AXECNYRLPFZKHS-GDBMZVCRSA-N 1 3 257.381 2.653 20 30 CFEDHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472347 383109638 /nfs/dbraw/zinc/10/96/38/383109638.db2.gz NENIGPYUWCEMFG-YUTCNCBUSA-N 1 3 275.371 2.865 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000246883124 383117482 /nfs/dbraw/zinc/11/74/82/383117482.db2.gz FBSJWBYALGGIEI-FGTMMUONSA-N 1 3 293.499 2.757 20 30 CFEDHO N#CCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000565538921 383179601 /nfs/dbraw/zinc/17/96/01/383179601.db2.gz IOOPUODCVFIWGV-UHFFFAOYSA-N 1 3 283.419 2.717 20 30 CFEDHO C#CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289258337 197277650 /nfs/dbraw/zinc/27/76/50/197277650.db2.gz FOBAKZOHIGMMPZ-JWTNVVGKSA-N 1 3 298.430 2.756 20 30 CFEDHO C#CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289258337 197277651 /nfs/dbraw/zinc/27/76/51/197277651.db2.gz FOBAKZOHIGMMPZ-JWTNVVGKSA-N 1 3 298.430 2.756 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000453375190 394392358 /nfs/dbraw/zinc/39/23/58/394392358.db2.gz HWOXZUDHGDRZJK-BHYGNILZSA-N 1 3 287.382 2.660 20 30 CFEDHO C=CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000657582873 413771438 /nfs/dbraw/zinc/77/14/38/413771438.db2.gz LEVYVGFYDGXLGY-UHFFFAOYSA-N 1 3 287.451 2.883 20 30 CFEDHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C#N ZINC000285497475 196305490 /nfs/dbraw/zinc/30/54/90/196305490.db2.gz MNQBKLAGFSBESE-SJPCQFCGSA-N 1 3 299.418 2.624 20 30 CFEDHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C#N ZINC000285497475 196305492 /nfs/dbraw/zinc/30/54/92/196305492.db2.gz MNQBKLAGFSBESE-SJPCQFCGSA-N 1 3 299.418 2.624 20 30 CFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657831786 413984659 /nfs/dbraw/zinc/98/46/59/413984659.db2.gz BLYKUKJNHZKWRE-SJLPKXTDSA-N 1 3 293.499 2.737 20 30 CFEDHO N#CCCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285578511 263094241 /nfs/dbraw/zinc/09/42/41/263094241.db2.gz OGHDTEHXQDFGHL-SFHVURJKSA-N 1 3 283.419 2.888 20 30 CFEDHO N#CCCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285578511 263094242 /nfs/dbraw/zinc/09/42/42/263094242.db2.gz OGHDTEHXQDFGHL-SFHVURJKSA-N 1 3 283.419 2.888 20 30 CFEDHO CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442791152 265005399 /nfs/dbraw/zinc/00/53/99/265005399.db2.gz NEGMGKIHPUHOOX-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442791152 265005402 /nfs/dbraw/zinc/00/54/02/265005402.db2.gz NEGMGKIHPUHOOX-OWCLPIDISA-N 1 3 263.429 2.923 20 30 CFEDHO CC(C#N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000357784882 266361772 /nfs/dbraw/zinc/36/17/72/266361772.db2.gz AFHCYQQHCYSDHH-HNNXBMFYSA-N 1 3 299.418 2.694 20 30 CFEDHO C=CCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000571374445 328117696 /nfs/dbraw/zinc/11/76/96/328117696.db2.gz VGTBAXUPTLBYDQ-JWTNVVGKSA-N 1 3 291.483 2.586 20 30 CFEDHO C=CCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000571374445 328117697 /nfs/dbraw/zinc/11/76/97/328117697.db2.gz VGTBAXUPTLBYDQ-JWTNVVGKSA-N 1 3 291.483 2.586 20 30 CFEDHO C#CCSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000181098926 329226124 /nfs/dbraw/zinc/22/61/24/329226124.db2.gz PMZPJQSOLJMRKZ-UHFFFAOYSA-N 1 3 280.481 2.740 20 30 CFEDHO C#CCSCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000181098926 329226126 /nfs/dbraw/zinc/22/61/26/329226126.db2.gz PMZPJQSOLJMRKZ-UHFFFAOYSA-N 1 3 280.481 2.740 20 30 CFEDHO CC(C)[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185773245 329331648 /nfs/dbraw/zinc/33/16/48/329331648.db2.gz QIAQYNGMIADRMC-ARFHVFGLSA-N 1 3 263.429 2.779 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423097913 330169949 /nfs/dbraw/zinc/16/99/49/330169949.db2.gz BRCJLYRWCTVJBN-WMLDXEAASA-N 1 3 274.408 2.729 20 30 CFEDHO CCC[NH2+]CCNC1CCC(C#N)(c2ccccc2)CC1 ZINC000423314240 330189736 /nfs/dbraw/zinc/18/97/36/330189736.db2.gz VRNGLVXELAMRKB-UHFFFAOYSA-N 1 3 285.435 2.980 20 30 CFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423504385 330208561 /nfs/dbraw/zinc/20/85/61/330208561.db2.gz GFWJCGWQAVEICI-NXNVCVFFSA-N 1 3 258.409 2.932 20 30 CFEDHO C=CCCCC[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000453106036 331089682 /nfs/dbraw/zinc/08/96/82/331089682.db2.gz YHYHJWZYYIUYBG-KRWDZBQOSA-N 1 3 281.488 2.739 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000113323951 526743896 /nfs/dbraw/zinc/74/38/96/526743896.db2.gz JAGBKDGWUSIPPT-QGZVFWFLSA-N 1 3 286.419 2.520 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NCC(C)(C)N2CCCCC2)c1 ZINC000104155063 617951133 /nfs/dbraw/zinc/95/11/33/617951133.db2.gz ZCFZWRQVSOVGHE-UHFFFAOYSA-N 1 3 288.439 2.986 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158153214 618188556 /nfs/dbraw/zinc/18/85/56/618188556.db2.gz GVHOKWZUMMZTDN-CVEARBPZSA-N 1 3 286.419 2.691 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158153214 618188558 /nfs/dbraw/zinc/18/85/58/618188558.db2.gz GVHOKWZUMMZTDN-CVEARBPZSA-N 1 3 286.419 2.691 20 30 CFEDHO Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1C#N ZINC000925839148 619171671 /nfs/dbraw/zinc/17/16/71/619171671.db2.gz PWLYOIKONPHNCB-CVEARBPZSA-N 1 3 257.381 2.616 20 30 CFEDHO C#C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000894551855 619417647 /nfs/dbraw/zinc/41/76/47/619417647.db2.gz AEBOEPTWASRUBC-MRXNPFEDSA-N 1 3 276.811 2.946 20 30 CFEDHO CCC[NH+]1CCC(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902791643 621177855 /nfs/dbraw/zinc/17/78/55/621177855.db2.gz WQNFOPKKXXSDKW-CQSZACIVSA-N 1 3 286.423 2.726 20 30 CFEDHO CC[NH+]1CCC(CCN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902821481 621182073 /nfs/dbraw/zinc/18/20/73/621182073.db2.gz ZDRFVSXQQJGSER-CQSZACIVSA-N 1 3 286.423 2.726 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000903461634 621381528 /nfs/dbraw/zinc/38/15/28/621381528.db2.gz WUNMPHSDWWYROD-WMZOPIPTSA-N 1 3 283.419 2.736 20 30 CFEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@@H]1CC[NH3+] ZINC000903452055 621386915 /nfs/dbraw/zinc/38/69/15/621386915.db2.gz HANVIVNPLJQOMO-MRXNPFEDSA-N 1 3 271.408 2.878 20 30 CFEDHO CN(CCCC1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903825938 621450504 /nfs/dbraw/zinc/45/05/04/621450504.db2.gz FTQRFUAYUFTRFQ-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911725191 622541428 /nfs/dbraw/zinc/54/14/28/622541428.db2.gz JJQPWZQKIBHOEY-XHSDSOJGSA-N 1 3 297.487 2.569 20 30 CFEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911754199 622547235 /nfs/dbraw/zinc/54/72/35/622547235.db2.gz RYRWXNBWEYYZRH-GDBMZVCRSA-N 1 3 297.487 2.650 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NC1CC[NH+](C2CCC2)CC1 ZINC000924843690 622613012 /nfs/dbraw/zinc/61/30/12/622613012.db2.gz LURWGSKZTOJPHT-ZDUSSCGKSA-N 1 3 263.429 2.921 20 30 CFEDHO C#C[C@H](C)N(C)Cc1cccc(C[N@H+](C)[C@@H](C)C#C)c1 ZINC000769961280 625933963 /nfs/dbraw/zinc/93/39/63/625933963.db2.gz QKXWCMDAHANOPS-HOTGVXAUSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@H](C)N(C)Cc1cccc(C[N@@H+](C)[C@@H](C)C#C)c1 ZINC000769961280 625933966 /nfs/dbraw/zinc/93/39/66/625933966.db2.gz QKXWCMDAHANOPS-HOTGVXAUSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](CC)NCc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809686040 631263107 /nfs/dbraw/zinc/26/31/07/631263107.db2.gz JAWFHEWIVNAZNC-SFHVURJKSA-N 1 3 299.462 2.720 20 30 CFEDHO C#Cc1ccc(C[N@H+](CC)CCCN2CCCC2)cc1 ZINC000809749297 631279812 /nfs/dbraw/zinc/27/98/12/631279812.db2.gz DXOAOESUIWRLAO-UHFFFAOYSA-N 1 3 270.420 2.976 20 30 CFEDHO C#Cc1ccc(C[N@@H+](CC)CCCN2CCCC2)cc1 ZINC000809749297 631279818 /nfs/dbraw/zinc/27/98/18/631279818.db2.gz DXOAOESUIWRLAO-UHFFFAOYSA-N 1 3 270.420 2.976 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970144 632769053 /nfs/dbraw/zinc/76/90/53/632769053.db2.gz MQHDHYGLKVQDTL-BPUTZDHNSA-N 1 3 272.392 2.619 20 30 CFEDHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OCC#N)cc1 ZINC000818615051 632879771 /nfs/dbraw/zinc/87/97/71/632879771.db2.gz LCYCTFBEEVHACJ-DAXOMENPSA-N 1 3 273.380 2.509 20 30 CFEDHO C#CCOc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000854230246 635265969 /nfs/dbraw/zinc/26/59/69/635265969.db2.gz KPCGHCQOQVPIQB-WMLDXEAASA-N 1 3 274.408 2.723 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN1CCCC1)[C@@H]1CCCO1 ZINC000883174220 645640624 /nfs/dbraw/zinc/64/06/24/645640624.db2.gz FLWWZUIYFWCHDA-ULQDDVLXSA-N 1 3 280.456 2.822 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000883390153 645788472 /nfs/dbraw/zinc/78/84/72/645788472.db2.gz GRCLQZDFRXUKOM-KBAYOESNSA-N 1 3 294.483 2.946 20 30 CFEDHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCC(C)(C)C#N ZINC000887132546 647222849 /nfs/dbraw/zinc/22/28/49/647222849.db2.gz ICVCQVIYEZBEIM-HNNXBMFYSA-N 1 3 286.423 2.922 20 30 CFEDHO N#Cc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925714327 648292818 /nfs/dbraw/zinc/29/28/18/648292818.db2.gz PZTZPPCNTVKQON-RTBURBONSA-N 1 3 297.446 2.859 20 30 CFEDHO CCC[NH+]1CCC(N[C@@H](C)CC(C)(C)C#N)CC1 ZINC000695789977 776011826 /nfs/dbraw/zinc/01/18/26/776011826.db2.gz XWLZRQMOCWJCMB-ZDUSSCGKSA-N 1 3 251.418 2.779 20 30 CFEDHO C[C@H](CC(C)(C)C#N)NC[C@H](C)C[NH+]1CCCC1 ZINC000695789266 776013328 /nfs/dbraw/zinc/01/33/28/776013328.db2.gz WPMHPTQNOIQGPA-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO C#CC[N@@H+](C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168062206 777862729 /nfs/dbraw/zinc/86/27/29/777862729.db2.gz JNZGGZZAPKOYON-ALXJQNPVSA-N 1 3 270.420 2.993 20 30 CFEDHO C#CC[N@H+](C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168062206 777862738 /nfs/dbraw/zinc/86/27/38/777862738.db2.gz JNZGGZZAPKOYON-ALXJQNPVSA-N 1 3 270.420 2.993 20 30 CFEDHO [NH3+]C[C@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235750626 778552705 /nfs/dbraw/zinc/55/27/05/778552705.db2.gz QFDVLMJKMMFAAL-HXUWFJFHSA-N 1 3 290.410 2.867 20 30 CFEDHO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)CN(C)C ZINC000594521733 349440631 /nfs/dbraw/zinc/44/06/31/349440631.db2.gz UCNCGAVBLFUWQF-CQSZACIVSA-N 1 3 273.424 2.775 20 30 CFEDHO N#Cc1ccc(C2(N[C@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000594584717 349452259 /nfs/dbraw/zinc/45/22/59/349452259.db2.gz FJDZUGPMYMHGFV-CVEARBPZSA-N 1 3 269.392 2.797 20 30 CFEDHO N#C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000595070506 349573009 /nfs/dbraw/zinc/57/30/09/349573009.db2.gz VKFUHFRQOZKQFR-ROUUACIJSA-N 1 3 298.434 2.575 20 30 CFEDHO CC[NH+]1CCC(N(C)CCc2ccc(C#N)cc2)CC1 ZINC000595349115 349609031 /nfs/dbraw/zinc/60/90/31/349609031.db2.gz YLSWRGGCZYHLON-UHFFFAOYSA-N 1 3 271.408 2.517 20 30 CFEDHO N#Cc1ccc(CC[N@@H+](CCCN)CC2CCCC2)cc1 ZINC000595895162 349764334 /nfs/dbraw/zinc/76/43/34/349764334.db2.gz DFYCFHHJEFCERT-UHFFFAOYSA-N 1 3 285.435 2.942 20 30 CFEDHO N#Cc1ccc(CC[N@H+](CCCN)CC2CCCC2)cc1 ZINC000595895162 349764336 /nfs/dbraw/zinc/76/43/36/349764336.db2.gz DFYCFHHJEFCERT-UHFFFAOYSA-N 1 3 285.435 2.942 20 30 CFEDHO N#Cc1ccc(CCN(CCC[NH3+])CC2CCCC2)cc1 ZINC000595895162 349764338 /nfs/dbraw/zinc/76/43/38/349764338.db2.gz DFYCFHHJEFCERT-UHFFFAOYSA-N 1 3 285.435 2.942 20 30 CFEDHO C=CCCSCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000596652383 349968916 /nfs/dbraw/zinc/96/89/16/349968916.db2.gz TTWIQTGUYMBELI-KFWWJZLASA-N 1 3 268.470 2.806 20 30 CFEDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594495083 349429444 /nfs/dbraw/zinc/42/94/44/349429444.db2.gz LVIGGGPHPAHAHC-INIZCTEOSA-N 1 3 285.435 2.919 20 30 CFEDHO C=CCCSCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598981018 350353170 /nfs/dbraw/zinc/35/31/70/350353170.db2.gz KIUGZACGZGVZPF-CYBMUJFWSA-N 1 3 256.459 2.758 20 30 CFEDHO C=CCCSCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598981018 350353173 /nfs/dbraw/zinc/35/31/73/350353173.db2.gz KIUGZACGZGVZPF-CYBMUJFWSA-N 1 3 256.459 2.758 20 30 CFEDHO Cc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)ccc1C#N ZINC000598994810 350356896 /nfs/dbraw/zinc/35/68/96/350356896.db2.gz SIVVCDWWDJWHPS-INIZCTEOSA-N 1 3 271.408 2.688 20 30 CFEDHO CCC[NH+]1CCC(N[C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602588316 350937202 /nfs/dbraw/zinc/93/72/02/350937202.db2.gz VISLMOISTHDIOU-HNNXBMFYSA-N 1 3 293.455 2.549 20 30 CFEDHO CC[NH+](CC)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602763121 351017510 /nfs/dbraw/zinc/01/75/10/351017510.db2.gz AZPKGWBNGRKRPN-UHFFFAOYSA-N 1 3 263.429 2.734 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000271494302 191173654 /nfs/dbraw/zinc/17/36/54/191173654.db2.gz PNQZXZBUALYZFX-BFYDXBDKSA-N 1 3 286.419 2.517 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N)CCC1 ZINC000335021745 283191789 /nfs/dbraw/zinc/19/17/89/283191789.db2.gz DSGVSIYRZBCGPT-MRXNPFEDSA-N 1 3 269.392 2.797 20 30 CFEDHO C(#CC[N@@H+]1CC[C@H]2CCC[C@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243432 540590776 /nfs/dbraw/zinc/59/07/76/540590776.db2.gz GQLBHLNBZJFZBG-USTZCAOPSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@H]2CCC[C@H]21)CN1CC[C@@H]2CCC[C@@H]21 ZINC000671243432 540590780 /nfs/dbraw/zinc/59/07/80/540590780.db2.gz GQLBHLNBZJFZBG-USTZCAOPSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@H]2CCC[C@H]21 ZINC000671243432 540590783 /nfs/dbraw/zinc/59/07/83/540590783.db2.gz GQLBHLNBZJFZBG-USTZCAOPSA-N 1 3 272.436 2.739 20 30 CFEDHO C(#CC[N@H+]1CC[C@@H]2CCC[C@@H]21)CN1CC[C@H]2CCC[C@H]21 ZINC000671243432 540590788 /nfs/dbraw/zinc/59/07/88/540590788.db2.gz GQLBHLNBZJFZBG-USTZCAOPSA-N 1 3 272.436 2.739 20 30 CFEDHO CC[NH+]1CCC(CCNCc2ccc(C#N)s2)CC1 ZINC000176976391 189018034 /nfs/dbraw/zinc/01/80/34/189018034.db2.gz PKZBWBHUTPYCRZ-UHFFFAOYSA-N 1 3 277.437 2.831 20 30 CFEDHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277193 238335143 /nfs/dbraw/zinc/33/51/43/238335143.db2.gz NWDXPEJGZBQBAA-SGIREYDYSA-N 1 3 275.371 2.865 20 30 CFEDHO C[NH+](C)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000048709876 373215784 /nfs/dbraw/zinc/21/57/84/373215784.db2.gz GMMOKSAEVWUTEV-UHFFFAOYSA-N 1 3 279.387 2.910 20 30 CFEDHO COc1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1 ZINC000264126947 383698278 /nfs/dbraw/zinc/69/82/78/383698278.db2.gz SMAZNTOSYYBMDU-UHFFFAOYSA-N 1 3 292.427 2.541 20 30 CFEDHO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264151080 383701454 /nfs/dbraw/zinc/70/14/54/383701454.db2.gz ZGSYVNMPNUDEQW-CQSZACIVSA-N 1 3 290.455 2.730 20 30 CFEDHO C#CCOc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000159285024 378699533 /nfs/dbraw/zinc/69/95/33/378699533.db2.gz ZQLHLUVZLRMAEV-OAHLLOKOSA-N 1 3 286.419 2.834 20 30 CFEDHO C#CCOc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278505666 194016684 /nfs/dbraw/zinc/01/66/84/194016684.db2.gz OUMSPLVOLOCWGK-UHFFFAOYSA-N 1 3 298.430 2.663 20 30 CFEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000335020269 379957249 /nfs/dbraw/zinc/95/72/49/379957249.db2.gz HFMLFHKSGMDLOY-BWZWCVMUSA-N 1 3 287.451 2.812 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCC[NH2+]C1 ZINC000335020118 379957552 /nfs/dbraw/zinc/95/75/52/379957552.db2.gz ZAPRPLGGTNPAHU-MAUKXSAKSA-N 1 3 283.419 2.915 20 30 CFEDHO N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000336423235 380343710 /nfs/dbraw/zinc/34/37/10/380343710.db2.gz BUSUDWWJEKRUJE-UKRRQHHQSA-N 1 3 261.413 2.675 20 30 CFEDHO CC[NH+](CC)CCOC1CCN([C@H](C)CCC#N)CC1 ZINC000411300948 381021466 /nfs/dbraw/zinc/02/14/66/381021466.db2.gz NGQWSMIPSXOLQX-OAHLLOKOSA-N 1 3 281.444 2.501 20 30 CFEDHO C#C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000289554278 381039135 /nfs/dbraw/zinc/03/91/35/381039135.db2.gz RHKJTBGZNLEPOQ-IBGZPJMESA-N 1 3 284.447 2.941 20 30 CFEDHO C[C@H]([NH2+]CCCSCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185668193 381697503 /nfs/dbraw/zinc/69/75/03/381697503.db2.gz DXVLVPPIGGZSLT-LSDHHAIUSA-N 1 3 295.496 2.876 20 30 CFEDHO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185693216 381706022 /nfs/dbraw/zinc/70/60/22/381706022.db2.gz KEHDVHJKEILOFK-HUUCEWRRSA-N 1 3 263.429 2.923 20 30 CFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000185878250 381764708 /nfs/dbraw/zinc/76/47/08/381764708.db2.gz PSCMXHACEFEDDX-IAGOWNOFSA-N 1 3 298.434 2.970 20 30 CFEDHO CN(CCC[NH+]1CCCC1)CC(C)(C)CCC#N ZINC000343601028 381831040 /nfs/dbraw/zinc/83/10/40/381831040.db2.gz JTIQMNOQURPSAR-UHFFFAOYSA-N 1 3 251.418 2.734 20 30 CFEDHO C=CCOCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352143 382314006 /nfs/dbraw/zinc/31/40/06/382314006.db2.gz IYQXDWXBJRTVAE-AEFFLSMTSA-N 1 3 288.435 2.689 20 30 CFEDHO C=CCOCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364352143 382314010 /nfs/dbraw/zinc/31/40/10/382314010.db2.gz IYQXDWXBJRTVAE-AEFFLSMTSA-N 1 3 288.435 2.689 20 30 CFEDHO C=CCN(CC[C@H]1CC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420311014 382359774 /nfs/dbraw/zinc/35/97/74/382359774.db2.gz VRWWVBMQQLEDIW-CQSZACIVSA-N 1 3 289.379 2.582 20 30 CFEDHO C=C(CC)CN[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000346555187 382411748 /nfs/dbraw/zinc/41/17/48/382411748.db2.gz HAFQJDZFJCMQCX-JKSUJKDBSA-N 1 3 268.445 2.679 20 30 CFEDHO C=C(CC)CN[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000346555187 382411752 /nfs/dbraw/zinc/41/17/52/382411752.db2.gz HAFQJDZFJCMQCX-JKSUJKDBSA-N 1 3 268.445 2.679 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000346685009 382470889 /nfs/dbraw/zinc/47/08/89/382470889.db2.gz HYLJSDLQHUIFGF-VYDXJSESSA-N 1 3 299.418 2.658 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000346685009 382470893 /nfs/dbraw/zinc/47/08/93/382470893.db2.gz HYLJSDLQHUIFGF-VYDXJSESSA-N 1 3 299.418 2.658 20 30 CFEDHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000353253283 382531190 /nfs/dbraw/zinc/53/11/90/382531190.db2.gz LBSPLLAHXONSSE-SRCQZFHVSA-N 1 3 269.392 2.618 20 30 CFEDHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CC[N@H+]1C ZINC000353253283 382531193 /nfs/dbraw/zinc/53/11/93/382531193.db2.gz LBSPLLAHXONSSE-SRCQZFHVSA-N 1 3 269.392 2.618 20 30 CFEDHO C[N@H+](CCCN[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442635616 382939727 /nfs/dbraw/zinc/93/97/27/382939727.db2.gz KCSPZMSUFRVBED-IRXDYDNUSA-N 1 3 271.408 2.790 20 30 CFEDHO C[N@@H+](CCCN[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442635616 382939730 /nfs/dbraw/zinc/93/97/30/382939730.db2.gz KCSPZMSUFRVBED-IRXDYDNUSA-N 1 3 271.408 2.790 20 30 CFEDHO CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782967 382992302 /nfs/dbraw/zinc/99/23/02/382992302.db2.gz HJACMNKKCRVMSX-LSDHHAIUSA-N 1 3 263.429 2.780 20 30 CFEDHO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)CN1CCCC1 ZINC000446782967 382992305 /nfs/dbraw/zinc/99/23/05/382992305.db2.gz HJACMNKKCRVMSX-LSDHHAIUSA-N 1 3 263.429 2.780 20 30 CFEDHO CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782966 382992910 /nfs/dbraw/zinc/99/29/10/382992910.db2.gz HJACMNKKCRVMSX-HUUCEWRRSA-N 1 3 263.429 2.780 20 30 CFEDHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CN1CCCC1 ZINC000446782966 382992914 /nfs/dbraw/zinc/99/29/14/382992914.db2.gz HJACMNKKCRVMSX-HUUCEWRRSA-N 1 3 263.429 2.780 20 30 CFEDHO C[C@H]([NH3+])C[C@H](C)NCCSCc1ccccc1C#N ZINC000422986129 382997497 /nfs/dbraw/zinc/99/74/97/382997497.db2.gz GJPMXTGCZONXCI-STQMWFEESA-N 1 3 277.437 2.507 20 30 CFEDHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423167312 532995699 /nfs/dbraw/zinc/99/56/99/532995699.db2.gz SAYAGSKFBGSPIM-ACJLOTCBSA-N 1 3 297.377 2.745 20 30 CFEDHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980028 385418064 /nfs/dbraw/zinc/41/80/64/385418064.db2.gz YNNMQATZZOTOIN-OLZOCXBDSA-N 1 3 287.382 2.832 20 30 CFEDHO C[C@H]1C[C@H](NCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000273148200 385670930 /nfs/dbraw/zinc/67/09/30/385670930.db2.gz GYOBVIXZNSEBQO-DOTOQJQBSA-N 1 3 271.408 2.933 20 30 CFEDHO C[C@H]1C[C@H](NCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000273148200 385670934 /nfs/dbraw/zinc/67/09/34/385670934.db2.gz GYOBVIXZNSEBQO-DOTOQJQBSA-N 1 3 271.408 2.933 20 30 CFEDHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000249370475 131121993 /nfs/dbraw/zinc/12/19/93/131121993.db2.gz AZAKLTRTMPQTND-UKRRQHHQSA-N 1 3 257.381 2.551 20 30 CFEDHO C[C@H]([NH2+]CCCCC#N)c1ccc(OCCN(C)C)cc1 ZINC000178640578 393445940 /nfs/dbraw/zinc/44/59/40/393445940.db2.gz SRJREEPUKNSWHZ-HNNXBMFYSA-N 1 3 289.423 2.971 20 30 CFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000423339252 394277884 /nfs/dbraw/zinc/27/78/84/394277884.db2.gz ZKNYWAKETJHTIW-SJORKVTESA-N 1 3 269.392 2.653 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000453375192 394392335 /nfs/dbraw/zinc/39/23/35/394392335.db2.gz HWOXZUDHGDRZJK-PVAVHDDUSA-N 1 3 287.382 2.660 20 30 CFEDHO C[NH+]1CCC2(CCCN(Cc3cccc(C#N)c3)C2)CC1 ZINC000376000725 157314211 /nfs/dbraw/zinc/31/42/11/157314211.db2.gz QSFONXFCRWIHHK-UHFFFAOYSA-N 1 3 283.419 2.866 20 30 CFEDHO C=CC[N@H+](C[C@H]1CCC2(CNC2)O1)CC1CCCCC1 ZINC000662254089 414480073 /nfs/dbraw/zinc/48/00/73/414480073.db2.gz FDRLRTATKZXDJJ-MRXNPFEDSA-N 1 3 278.440 2.576 20 30 CFEDHO C=CC[N@@H+](C[C@H]1CCC2(CNC2)O1)CC1CCCCC1 ZINC000662254089 414480075 /nfs/dbraw/zinc/48/00/75/414480075.db2.gz FDRLRTATKZXDJJ-MRXNPFEDSA-N 1 3 278.440 2.576 20 30 CFEDHO C=CCCC[C@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325344 414507499 /nfs/dbraw/zinc/50/74/99/414507499.db2.gz MBUSQOMJZGBYKU-HOTGVXAUSA-N 1 3 268.445 2.774 20 30 CFEDHO CC(C#N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000347101201 226049912 /nfs/dbraw/zinc/04/99/12/226049912.db2.gz GWIKPWGFKBHFIB-HUUCEWRRSA-N 1 3 299.418 2.926 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408289 260101401 /nfs/dbraw/zinc/10/14/01/260101401.db2.gz WCZIELBZPRJIBI-MRXNPFEDSA-N 1 3 286.419 2.825 20 30 CFEDHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000038098112 260125752 /nfs/dbraw/zinc/12/57/52/260125752.db2.gz TXISBSRILQDDFD-AWEZNQCLSA-N 1 3 287.407 2.724 20 30 CFEDHO CC[N@H+](C)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000174881118 261201732 /nfs/dbraw/zinc/20/17/32/261201732.db2.gz TUCKPZJFSIOCBJ-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[N@@H+](C)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000174881118 261201734 /nfs/dbraw/zinc/20/17/34/261201734.db2.gz TUCKPZJFSIOCBJ-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(C)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174881118 261201737 /nfs/dbraw/zinc/20/17/37/261201737.db2.gz TUCKPZJFSIOCBJ-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(C)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174881118 261201739 /nfs/dbraw/zinc/20/17/39/261201739.db2.gz TUCKPZJFSIOCBJ-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309978734 262065920 /nfs/dbraw/zinc/06/59/20/262065920.db2.gz TUOKKYJLLZLQDR-NVXWUHKLSA-N 1 3 299.418 2.565 20 30 CFEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309978734 262065921 /nfs/dbraw/zinc/06/59/21/262065921.db2.gz TUOKKYJLLZLQDR-NVXWUHKLSA-N 1 3 299.418 2.565 20 30 CFEDHO CN1CCC([C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000367688169 262249727 /nfs/dbraw/zinc/24/97/27/262249727.db2.gz OKAHDUZQVVVPLD-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO CN1CCC([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000367688169 262249728 /nfs/dbraw/zinc/24/97/28/262249728.db2.gz OKAHDUZQVVVPLD-MRXNPFEDSA-N 1 3 277.456 2.980 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000336806065 262395609 /nfs/dbraw/zinc/39/56/09/262395609.db2.gz DBGFOVYYNDDYBD-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCN(C)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336806065 262395610 /nfs/dbraw/zinc/39/56/10/262395610.db2.gz DBGFOVYYNDDYBD-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CC[NH+](CC)CC1CCN([C@H](C)CCC#N)CC1 ZINC000411170190 262682124 /nfs/dbraw/zinc/68/21/24/262682124.db2.gz AFRXODFDTXFOOO-CQSZACIVSA-N 1 3 251.418 2.732 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290609455 275387224 /nfs/dbraw/zinc/38/72/24/275387224.db2.gz WJIZBIHEUUDPPR-MSOLQXFVSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290609455 275387226 /nfs/dbraw/zinc/38/72/26/275387226.db2.gz WJIZBIHEUUDPPR-MSOLQXFVSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290609455 275387228 /nfs/dbraw/zinc/38/72/28/275387228.db2.gz WJIZBIHEUUDPPR-MSOLQXFVSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290609455 275387229 /nfs/dbraw/zinc/38/72/29/275387229.db2.gz WJIZBIHEUUDPPR-MSOLQXFVSA-N 1 3 268.404 2.584 20 30 CFEDHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(C#N)cc1 ZINC000020129003 278344618 /nfs/dbraw/zinc/34/46/18/278344618.db2.gz RJTWZSIKYDKUPK-CQSZACIVSA-N 1 3 257.381 2.695 20 30 CFEDHO Cc1cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)ccc1C#N ZINC000583720721 325306095 /nfs/dbraw/zinc/30/60/95/325306095.db2.gz VRTROSUDGLSKAA-ZWKOTPCHSA-N 1 3 283.419 2.783 20 30 CFEDHO Cc1cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)ccc1C#N ZINC000583720721 325306097 /nfs/dbraw/zinc/30/60/97/325306097.db2.gz VRTROSUDGLSKAA-ZWKOTPCHSA-N 1 3 283.419 2.783 20 30 CFEDHO C#CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378301170 329045323 /nfs/dbraw/zinc/04/53/23/329045323.db2.gz GXAZPXZERQXZAC-UHFFFAOYSA-N 1 3 268.404 2.608 20 30 CFEDHO C#CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301170 329045325 /nfs/dbraw/zinc/04/53/25/329045325.db2.gz GXAZPXZERQXZAC-UHFFFAOYSA-N 1 3 268.404 2.608 20 30 CFEDHO C[NH+](C)CC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185899610 329334569 /nfs/dbraw/zinc/33/45/69/329334569.db2.gz DOKYHCGAAQZHAU-HUUCEWRRSA-N 1 3 263.429 2.780 20 30 CFEDHO N#CCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000580432014 330131638 /nfs/dbraw/zinc/13/16/38/330131638.db2.gz KKCKLLYSHZANII-JKSUJKDBSA-N 1 3 257.381 2.502 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423096716 330169810 /nfs/dbraw/zinc/16/98/10/330169810.db2.gz PPTXYISWOAZADB-SFFUCWETSA-N 1 3 292.467 2.868 20 30 CFEDHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000423296573 330188506 /nfs/dbraw/zinc/18/85/06/330188506.db2.gz ZLFUYYSAOOPWAT-NOLJZWGESA-N 1 3 257.381 2.878 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000424378516 330349044 /nfs/dbraw/zinc/34/90/44/330349044.db2.gz SVZPECNYLJRQTJ-YIDVYQOGSA-N 1 3 261.413 2.579 20 30 CFEDHO C=C(C)C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000119652650 330378187 /nfs/dbraw/zinc/37/81/87/330378187.db2.gz ZKKOIFKTXGYWJD-UHFFFAOYSA-N 1 3 287.451 2.884 20 30 CFEDHO C=CCC[C@H]([NH2+]CC1CCN(CCO)CC1)c1ccco1 ZINC000353501015 527483999 /nfs/dbraw/zinc/48/39/99/527483999.db2.gz HKJGHQOLXUCKMO-INIZCTEOSA-N 1 3 292.423 2.581 20 30 CFEDHO C=CCC[C@H](NCC1CC[NH+](CCO)CC1)c1ccco1 ZINC000353501015 527484004 /nfs/dbraw/zinc/48/40/04/527484004.db2.gz HKJGHQOLXUCKMO-INIZCTEOSA-N 1 3 292.423 2.581 20 30 CFEDHO C=CCN(C[C@@H](O)C[NH+]1CCCC1)CC1CCCCC1 ZINC000732694931 574165663 /nfs/dbraw/zinc/16/56/63/574165663.db2.gz FSLIICKTZWMUKE-KRWDZBQOSA-N 1 3 280.456 2.511 20 30 CFEDHO N#CC1CCC(C[N@@H+]2CCCN(c3ccncc3)CC2)CC1 ZINC000930806345 618277608 /nfs/dbraw/zinc/27/76/08/618277608.db2.gz PDECOJPXSCKJJP-UHFFFAOYSA-N 1 3 298.434 2.924 20 30 CFEDHO N#CC1CCC(C[N@H+]2CCCN(c3ccncc3)CC2)CC1 ZINC000930806345 618277612 /nfs/dbraw/zinc/27/76/12/618277612.db2.gz PDECOJPXSCKJJP-UHFFFAOYSA-N 1 3 298.434 2.924 20 30 CFEDHO CC(C)(CCC#N)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925670939 618442312 /nfs/dbraw/zinc/44/23/12/618442312.db2.gz AYYYLBIIWRTKSB-HZSPNIEDSA-N 1 3 263.429 2.683 20 30 CFEDHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797443 621180156 /nfs/dbraw/zinc/18/01/56/621180156.db2.gz WDIUZJLVBQPHQU-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000902797443 621180157 /nfs/dbraw/zinc/18/01/57/621180157.db2.gz WDIUZJLVBQPHQU-DOTOQJQBSA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@@H]1CN(CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903746347 621431874 /nfs/dbraw/zinc/43/18/74/621431874.db2.gz GCEQEUMGIMFQSO-CABCVRRESA-N 1 3 263.429 2.910 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903805491 621445836 /nfs/dbraw/zinc/44/58/36/621445836.db2.gz PARXJVASIUMZRG-FUHWJXTLSA-N 1 3 283.419 2.878 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903805491 621445837 /nfs/dbraw/zinc/44/58/37/621445837.db2.gz PARXJVASIUMZRG-FUHWJXTLSA-N 1 3 283.419 2.878 20 30 CFEDHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652892 623044420 /nfs/dbraw/zinc/04/44/20/623044420.db2.gz FJMUWJRUXQCEHG-DZKIICNBSA-N 1 3 287.407 2.722 20 30 CFEDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652892 623044428 /nfs/dbraw/zinc/04/44/28/623044428.db2.gz FJMUWJRUXQCEHG-DZKIICNBSA-N 1 3 287.407 2.722 20 30 CFEDHO C#CC[C@H]1CCCN(CCC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809463 624549752 /nfs/dbraw/zinc/54/97/52/624549752.db2.gz BLANQOIHXFYIHJ-KDURUIRLSA-N 1 3 286.463 2.847 20 30 CFEDHO C#CC[C@H]1CCCN(CCC[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809463 624549755 /nfs/dbraw/zinc/54/97/55/624549755.db2.gz BLANQOIHXFYIHJ-KDURUIRLSA-N 1 3 286.463 2.847 20 30 CFEDHO C#CC[C@H]1CCC[N@@H+](CCCN2CCC[C@@H](CC#C)C2)C1 ZINC000829809463 624549760 /nfs/dbraw/zinc/54/97/60/624549760.db2.gz BLANQOIHXFYIHJ-KDURUIRLSA-N 1 3 286.463 2.847 20 30 CFEDHO C#CC[C@H]1CCC[N@H+](CCCN2CCC[C@@H](CC#C)C2)C1 ZINC000829809463 624549763 /nfs/dbraw/zinc/54/97/63/624549763.db2.gz BLANQOIHXFYIHJ-KDURUIRLSA-N 1 3 286.463 2.847 20 30 CFEDHO c1nncn1N=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834911592 625920088 /nfs/dbraw/zinc/92/00/88/625920088.db2.gz DBUFKBGFRCJKQW-WBVHZDCISA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1N=C1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834911592 625920091 /nfs/dbraw/zinc/92/00/91/625920091.db2.gz DBUFKBGFRCJKQW-WBVHZDCISA-N 1 3 295.390 2.557 20 30 CFEDHO c1nncn1[NH+]=C1CCN(Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834911592 625920093 /nfs/dbraw/zinc/92/00/93/625920093.db2.gz DBUFKBGFRCJKQW-WBVHZDCISA-N 1 3 295.390 2.557 20 30 CFEDHO C#C[C@H](C)N(C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000775183987 627998744 /nfs/dbraw/zinc/99/87/44/627998744.db2.gz QXIQUQWNRZTEOB-KRWDZBQOSA-N 1 3 299.462 2.672 20 30 CFEDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C#N)c(F)c1 ZINC000776725491 628171622 /nfs/dbraw/zinc/17/16/22/628171622.db2.gz MJUNAUKTFGRRFT-LBPRGKRZSA-N 1 3 277.387 2.936 20 30 CFEDHO CC(C)CCN(CCC#N)CC1CC[NH+](C)CC1 ZINC000788480563 629073098 /nfs/dbraw/zinc/07/30/98/629073098.db2.gz ACMWITMOBVYNKM-UHFFFAOYSA-N 1 3 251.418 2.590 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000796836675 629976642 /nfs/dbraw/zinc/97/66/42/629976642.db2.gz KKHCFTYJEUVPDQ-BBWFWOEESA-N 1 3 299.418 2.529 20 30 CFEDHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000796836675 629976643 /nfs/dbraw/zinc/97/66/43/629976643.db2.gz KKHCFTYJEUVPDQ-BBWFWOEESA-N 1 3 299.418 2.529 20 30 CFEDHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969353 632768453 /nfs/dbraw/zinc/76/84/53/632768453.db2.gz CASGEMCUTMUPOB-QEJZJMRPSA-N 1 3 273.380 2.509 20 30 CFEDHO C[C@H]1CCC[C@](CNC(=[NH2+])Nc2ccccc2)(N(C)C)C1 ZINC000203057138 637378754 /nfs/dbraw/zinc/37/87/54/637378754.db2.gz AUMNVKCYMQLSHF-YOEHRIQHSA-N 1 3 288.439 2.924 20 30 CFEDHO C=C[C@@H]1CCCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209902 642068977 /nfs/dbraw/zinc/06/89/77/642068977.db2.gz VPKHLIWXTOTFLC-CYBMUJFWSA-N 1 3 262.422 2.934 20 30 CFEDHO C#CCCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876761040 642998150 /nfs/dbraw/zinc/99/81/50/642998150.db2.gz XOTYHBHJMXKSMW-KRWDZBQOSA-N 1 3 262.441 2.988 20 30 CFEDHO C#CCCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000878748954 644013465 /nfs/dbraw/zinc/01/34/65/644013465.db2.gz VMACGNPVJRCQIA-UHFFFAOYSA-N 1 3 271.408 2.787 20 30 CFEDHO C#CCCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000878748954 644013469 /nfs/dbraw/zinc/01/34/69/644013469.db2.gz VMACGNPVJRCQIA-UHFFFAOYSA-N 1 3 271.408 2.787 20 30 CFEDHO CCCCCCNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303772254 651001041 /nfs/dbraw/zinc/00/10/41/651001041.db2.gz DKHLNWWRSXHYMG-UHFFFAOYSA-N 1 3 282.476 2.736 20 30 CFEDHO CCCCCCNC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000303903563 651008295 /nfs/dbraw/zinc/00/82/95/651008295.db2.gz UNKGXFPEWBXNHA-UHFFFAOYSA-N 1 3 282.476 2.736 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000303889733 651006206 /nfs/dbraw/zinc/00/62/06/651006206.db2.gz MBPAZRGDDUPXMJ-HUUCEWRRSA-N 1 3 282.476 2.591 20 30 CFEDHO Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000303889464 651006624 /nfs/dbraw/zinc/00/66/24/651006624.db2.gz LXCMBLAQEURFOF-GJZGRUSLSA-N 1 3 288.439 2.985 20 30 CFEDHO C[C@@H]1CCCN(C(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)C1 ZINC000303891226 651006631 /nfs/dbraw/zinc/00/66/31/651006631.db2.gz QLTDWLZAANIARV-BFYDXBDKSA-N 1 3 294.487 2.544 20 30 CFEDHO CCCCCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000303894993 651007558 /nfs/dbraw/zinc/00/75/58/651007558.db2.gz PHGWPIQGPHUWSH-HUUCEWRRSA-N 1 3 282.476 2.734 20 30 CFEDHO C=C(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000883389888 645788616 /nfs/dbraw/zinc/78/86/16/645788616.db2.gz BBEZUWFBRKNKKY-JQHSSLGASA-N 1 3 294.483 2.946 20 30 CFEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305094876 651048390 /nfs/dbraw/zinc/04/83/90/651048390.db2.gz ZAUVLDRTYYPMRI-OAHLLOKOSA-N 1 3 294.487 2.688 20 30 CFEDHO CC1(C)C[C@@H](NCc2ccc(OCC#N)cc2)C[C@@H]([NH3+])C1 ZINC000925624339 648245172 /nfs/dbraw/zinc/24/51/72/648245172.db2.gz ZQHKCPXXWXEHDP-CABCVRRESA-N 1 3 287.407 2.585 20 30 CFEDHO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925681868 648277969 /nfs/dbraw/zinc/27/79/69/648277969.db2.gz RCMZTUTVSBTYBJ-LLLHUVSDSA-N 1 3 275.440 2.827 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929779720 649120551 /nfs/dbraw/zinc/12/05/51/649120551.db2.gz NNKLEZCIWUELML-OFLPRAFFSA-N 1 3 277.456 2.980 20 30 CFEDHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929779720 649120555 /nfs/dbraw/zinc/12/05/55/649120555.db2.gz NNKLEZCIWUELML-OFLPRAFFSA-N 1 3 277.456 2.980 20 30 CFEDHO C[C@H](CNC(=[NH2+])NC1CCCCCC1)N1CCC[C@@H](C)C1 ZINC000305747782 651074849 /nfs/dbraw/zinc/07/48/49/651074849.db2.gz TYSWVLBWCTXXIQ-HUUCEWRRSA-N 1 3 294.487 2.734 20 30 CFEDHO CC(C)N(CCNC(=[NH2+])NC1CCCCCC1)C(C)C ZINC000305748257 651074874 /nfs/dbraw/zinc/07/48/74/651074874.db2.gz VCEKGJZCFRDVFO-UHFFFAOYSA-N 1 3 282.476 2.732 20 30 CFEDHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695789131 776013621 /nfs/dbraw/zinc/01/36/21/776013621.db2.gz VBKHLAICMDGISQ-ZIAGYGMSSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000695789131 776013628 /nfs/dbraw/zinc/01/36/28/776013628.db2.gz VBKHLAICMDGISQ-ZIAGYGMSSA-N 1 3 251.418 2.635 20 30 CFEDHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000695789131 776013633 /nfs/dbraw/zinc/01/36/33/776013633.db2.gz VBKHLAICMDGISQ-ZIAGYGMSSA-N 1 3 251.418 2.635 20 30 CFEDHO C#C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994773 777526612 /nfs/dbraw/zinc/52/66/12/777526612.db2.gz ODRJSSPPXYLXKH-QTXGHNMQSA-N 1 3 272.436 2.737 20 30 CFEDHO C#C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994773 777526621 /nfs/dbraw/zinc/52/66/21/777526621.db2.gz ODRJSSPPXYLXKH-QTXGHNMQSA-N 1 3 272.436 2.737 20 30 CFEDHO C#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167994773 777526628 /nfs/dbraw/zinc/52/66/28/777526628.db2.gz ODRJSSPPXYLXKH-QTXGHNMQSA-N 1 3 272.436 2.737 20 30 CFEDHO C#C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167994773 777526634 /nfs/dbraw/zinc/52/66/34/777526634.db2.gz ODRJSSPPXYLXKH-QTXGHNMQSA-N 1 3 272.436 2.737 20 30 CFEDHO C[N@H+](Cc1cccc(C#N)c1)C1CCN(CC2CC2)CC1 ZINC001168389037 778769502 /nfs/dbraw/zinc/76/95/02/778769502.db2.gz IQDZUYMBOZTKHW-UHFFFAOYSA-N 1 3 283.419 2.864 20 30 CFEDHO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(CC2CC2)CC1 ZINC001168389037 778769505 /nfs/dbraw/zinc/76/95/05/778769505.db2.gz IQDZUYMBOZTKHW-UHFFFAOYSA-N 1 3 283.419 2.864 20 30 CFEDHO CCc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001238761332 779383673 /nfs/dbraw/zinc/38/36/73/779383673.db2.gz UGNAGHYHLDVOCC-MSOLQXFVSA-N 1 3 283.419 2.504 20 30 CFEDHO CCc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001238761332 779383676 /nfs/dbraw/zinc/38/36/76/779383676.db2.gz UGNAGHYHLDVOCC-MSOLQXFVSA-N 1 3 283.419 2.504 20 30 CFEDHO C=C(C)CC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168595672 780025339 /nfs/dbraw/zinc/02/53/39/780025339.db2.gz NXUPUACDFGQRKV-UHFFFAOYSA-N 1 3 297.487 2.561 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCC[N@H+](C)C1 ZINC000700820361 780726462 /nfs/dbraw/zinc/72/64/62/780726462.db2.gz XHQMENCLDZWPCA-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700820361 780726456 /nfs/dbraw/zinc/72/64/56/780726456.db2.gz XHQMENCLDZWPCA-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000700820361 780726466 /nfs/dbraw/zinc/72/64/66/780726466.db2.gz XHQMENCLDZWPCA-UONOGXRCSA-N 1 3 251.418 2.636 20 30 CFEDHO C[N@@H+]1C[C@@]2(C)CN(CCCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706253376 781164422 /nfs/dbraw/zinc/16/44/22/781164422.db2.gz IOUYZWAMEVGLEI-IYBDPMFKSA-N 1 3 263.429 2.590 20 30 CFEDHO C[N@H+]1C[C@@]2(C)CN(CCCC(C)(C)C#N)C[C@@]2(C)C1 ZINC000706253376 781164424 /nfs/dbraw/zinc/16/44/24/781164424.db2.gz IOUYZWAMEVGLEI-IYBDPMFKSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000594510969 349436023 /nfs/dbraw/zinc/43/60/23/349436023.db2.gz QDJGSUQRFCNKOF-FPMFFAJLSA-N 1 3 275.371 2.688 20 30 CFEDHO N#Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000594584541 349451465 /nfs/dbraw/zinc/45/14/65/349451465.db2.gz UWNRTLDLVICFDZ-CHWSQXEVSA-N 1 3 263.772 2.571 20 30 CFEDHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584663 349451481 /nfs/dbraw/zinc/45/14/81/349451481.db2.gz ADWYLSQEQZBGAO-CHWSQXEVSA-N 1 3 257.381 2.653 20 30 CFEDHO C[N@@H+]1CCC[C@]2(CCN(CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644900 /nfs/dbraw/zinc/64/49/00/349644900.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 3 283.419 2.518 20 30 CFEDHO C[N@H+]1CCC[C@]2(CCN(CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644902 /nfs/dbraw/zinc/64/49/02/349644902.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 3 283.419 2.518 20 30 CFEDHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCC(C)(C)C#N)C2 ZINC000595506535 349645951 /nfs/dbraw/zinc/64/59/51/349645951.db2.gz FBRUCSFXQPTRRO-INIZCTEOSA-N 1 3 263.429 2.734 20 30 CFEDHO C[N@H+]1CC[C@]2(C1)CCCN(CCCC(C)(C)C#N)C2 ZINC000595506535 349645954 /nfs/dbraw/zinc/64/59/54/349645954.db2.gz FBRUCSFXQPTRRO-INIZCTEOSA-N 1 3 263.429 2.734 20 30 CFEDHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596652032 349968323 /nfs/dbraw/zinc/96/83/23/349968323.db2.gz FJGPAXSKDKWUAY-IAGOWNOFSA-N 1 3 271.408 2.899 20 30 CFEDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653297 349969169 /nfs/dbraw/zinc/96/91/69/349969169.db2.gz ZUKCVZAOWUQXSL-ZDUSSCGKSA-N 1 3 294.402 2.614 20 30 CFEDHO C=CCCC[C@@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559205 347592724 /nfs/dbraw/zinc/59/27/24/347592724.db2.gz KOBJOYIIVCTJAB-MSOLQXFVSA-N 1 3 293.499 2.833 20 30 CFEDHO C=CCCC[C@@H](C)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091559205 347592727 /nfs/dbraw/zinc/59/27/27/347592727.db2.gz KOBJOYIIVCTJAB-MSOLQXFVSA-N 1 3 293.499 2.833 20 30 CFEDHO C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1CC[NH3+] ZINC000404303786 348590502 /nfs/dbraw/zinc/59/05/02/348590502.db2.gz CGHFPNPFUFQMRP-BBRMVZONSA-N 1 3 257.381 2.508 20 30 CFEDHO CC(C)(C#N)c1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000594502366 349432867 /nfs/dbraw/zinc/43/28/67/349432867.db2.gz ZSHWWVBIQZSDLT-UHFFFAOYSA-N 1 3 271.408 2.673 20 30 CFEDHO N#Cc1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000598679296 350309434 /nfs/dbraw/zinc/30/94/34/350309434.db2.gz FJCCCHCNKZPIPY-AEFFLSMTSA-N 1 3 283.419 2.770 20 30 CFEDHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000599265725 350402649 /nfs/dbraw/zinc/40/26/49/350402649.db2.gz UQWHEPBYFBEZFF-UHFFFAOYSA-N 1 3 271.408 2.640 20 30 CFEDHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1C#N ZINC000599299444 350409337 /nfs/dbraw/zinc/40/93/37/350409337.db2.gz JQDJNJGQHVVOCR-MRXNPFEDSA-N 1 3 271.408 2.640 20 30 CFEDHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1C#N ZINC000599299444 350409339 /nfs/dbraw/zinc/40/93/39/350409339.db2.gz JQDJNJGQHVVOCR-MRXNPFEDSA-N 1 3 271.408 2.640 20 30 CFEDHO CC1(C#N)CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000602019522 350833391 /nfs/dbraw/zinc/83/33/91/350833391.db2.gz FXIZZBYRLMJCAA-UHFFFAOYSA-N 1 3 283.419 2.894 20 30 CFEDHO C[N@H+](CCCCNCc1cccc(F)c1C#N)C1CC1 ZINC000602020234 350833789 /nfs/dbraw/zinc/83/37/89/350833789.db2.gz MSVDLCKTPNTPMG-UHFFFAOYSA-N 1 3 275.371 2.661 20 30 CFEDHO C[N@@H+](CCCCNCc1cccc(F)c1C#N)C1CC1 ZINC000602020234 350833793 /nfs/dbraw/zinc/83/37/93/350833793.db2.gz MSVDLCKTPNTPMG-UHFFFAOYSA-N 1 3 275.371 2.661 20 30 CFEDHO CC#CCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000155869875 188232825 /nfs/dbraw/zinc/23/28/25/188232825.db2.gz XMBWERXUUQRZSS-SFHVURJKSA-N 1 3 270.420 2.854 20 30 CFEDHO CC#CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000155869875 188232826 /nfs/dbraw/zinc/23/28/26/188232826.db2.gz XMBWERXUUQRZSS-SFHVURJKSA-N 1 3 270.420 2.854 20 30 CFEDHO C=CCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414908274 540830485 /nfs/dbraw/zinc/83/04/85/540830485.db2.gz BEXWPPKUZNDGTK-GJZGRUSLSA-N 1 3 260.381 2.611 20 30 CFEDHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423323537 238375455 /nfs/dbraw/zinc/37/54/55/238375455.db2.gz IBGURYXDHIYNJN-LBPRGKRZSA-N 1 3 275.371 2.738 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000037644236 372681604 /nfs/dbraw/zinc/68/16/04/372681604.db2.gz MSTMGXDGDVIXCH-INIZCTEOSA-N 1 3 274.408 2.683 20 30 CFEDHO C=C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678243281 541983324 /nfs/dbraw/zinc/98/33/24/541983324.db2.gz XRYNHXNVHMZDFH-UHFFFAOYSA-N 1 3 274.408 2.779 20 30 CFEDHO CCN(C)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093770784 375310961 /nfs/dbraw/zinc/31/09/61/375310961.db2.gz ABALDNCICSUEGN-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CCN(C)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093770784 375310964 /nfs/dbraw/zinc/31/09/64/375310964.db2.gz ABALDNCICSUEGN-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[N@H+](C)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093770784 375310967 /nfs/dbraw/zinc/31/09/67/375310967.db2.gz ABALDNCICSUEGN-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[N@@H+](C)C[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000093770784 375310970 /nfs/dbraw/zinc/31/09/70/375310970.db2.gz ABALDNCICSUEGN-CQSZACIVSA-N 1 3 251.418 2.590 20 30 CFEDHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(C#N)o1 ZINC000135121840 378086522 /nfs/dbraw/zinc/08/65/22/378086522.db2.gz ONKSZLHCAIHRED-CYBMUJFWSA-N 1 3 263.385 2.751 20 30 CFEDHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000169781448 379110682 /nfs/dbraw/zinc/11/06/82/379110682.db2.gz HQGLCIOICFCJII-SFHVURJKSA-N 1 3 283.419 2.722 20 30 CFEDHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000169781448 379110687 /nfs/dbraw/zinc/11/06/87/379110687.db2.gz HQGLCIOICFCJII-SFHVURJKSA-N 1 3 283.419 2.722 20 30 CFEDHO C#CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180168791 380628255 /nfs/dbraw/zinc/62/82/55/380628255.db2.gz OPMMPLKHYJDATM-GBESFXJTSA-N 1 3 282.431 2.900 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404144611 380899148 /nfs/dbraw/zinc/89/91/48/380899148.db2.gz NSHRGSLLEJWIQI-UHFFFAOYSA-N 1 3 275.371 2.661 20 30 CFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(C#N)c1 ZINC000181875358 380923278 /nfs/dbraw/zinc/92/32/78/380923278.db2.gz VMSDCMWPRMITLH-PBHICJAKSA-N 1 3 289.423 2.566 20 30 CFEDHO C[NH+]1CCC2(CCCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000369705402 381316740 /nfs/dbraw/zinc/31/67/40/381316740.db2.gz XOTFOHVZEGIQMC-UHFFFAOYSA-N 1 3 289.448 2.928 20 30 CFEDHO C=CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184743430 381470911 /nfs/dbraw/zinc/47/09/11/381470911.db2.gz SQMRIHQNROGIMH-HUUCEWRRSA-N 1 3 258.409 2.919 20 30 CFEDHO C[C@@H]([NH2+]CCCSCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185668207 381697601 /nfs/dbraw/zinc/69/76/01/381697601.db2.gz DXVLVPPIGGZSLT-HUUCEWRRSA-N 1 3 295.496 2.876 20 30 CFEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000293238276 382042052 /nfs/dbraw/zinc/04/20/52/382042052.db2.gz BCSDUDHXSOGLGO-GJZGRUSLSA-N 1 3 274.408 2.547 20 30 CFEDHO C#CCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375504308 382089666 /nfs/dbraw/zinc/08/96/66/382089666.db2.gz CNHYDSPACUEKOA-UHFFFAOYSA-N 1 3 298.430 2.759 20 30 CFEDHO C#CCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375504308 382089673 /nfs/dbraw/zinc/08/96/73/382089673.db2.gz CNHYDSPACUEKOA-UHFFFAOYSA-N 1 3 298.430 2.759 20 30 CFEDHO C#CCOc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000375504308 382089679 /nfs/dbraw/zinc/08/96/79/382089679.db2.gz CNHYDSPACUEKOA-UHFFFAOYSA-N 1 3 298.430 2.759 20 30 CFEDHO CCC[NH+]1CCC(CNCc2ccc(C#N)cc2F)CC1 ZINC000344216021 382204103 /nfs/dbraw/zinc/20/41/03/382204103.db2.gz LNIYDPYESORAPY-UHFFFAOYSA-N 1 3 289.398 2.909 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000345811615 382314812 /nfs/dbraw/zinc/31/48/12/382314812.db2.gz HSAIDIUOUJAHSU-HUUCEWRRSA-N 1 3 299.418 2.694 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000345811615 382314815 /nfs/dbraw/zinc/31/48/15/382314815.db2.gz HSAIDIUOUJAHSU-HUUCEWRRSA-N 1 3 299.418 2.694 20 30 CFEDHO CC1CCN(C(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC000303358402 382356828 /nfs/dbraw/zinc/35/68/28/382356828.db2.gz AJVHLBUXRGQAPR-WBVHZDCISA-N 1 3 294.487 2.544 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000346685008 382471228 /nfs/dbraw/zinc/47/12/28/382471228.db2.gz HYLJSDLQHUIFGF-INMHGKMJSA-N 1 3 299.418 2.658 20 30 CFEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000346685008 382471229 /nfs/dbraw/zinc/47/12/29/382471229.db2.gz HYLJSDLQHUIFGF-INMHGKMJSA-N 1 3 299.418 2.658 20 30 CFEDHO C#CC[C@H](C)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000366521271 382525119 /nfs/dbraw/zinc/52/51/19/382525119.db2.gz PMFCPKNXGHSOFF-RDJZCZTQSA-N 1 3 298.430 2.976 20 30 CFEDHO C#CC[C@H](C)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000366521269 382525792 /nfs/dbraw/zinc/52/57/92/382525792.db2.gz PMFCPKNXGHSOFF-DOTOQJQBSA-N 1 3 298.430 2.976 20 30 CFEDHO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000358303470 382558134 /nfs/dbraw/zinc/55/81/34/382558134.db2.gz RBDZNFPNZZVITA-KBPBESRZSA-N 1 3 262.397 2.852 20 30 CFEDHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000193021411 382714746 /nfs/dbraw/zinc/71/47/46/382714746.db2.gz JJUDNGXTQVSVIH-CQSZACIVSA-N 1 3 299.418 2.866 20 30 CFEDHO C=CCCCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000193341211 382718956 /nfs/dbraw/zinc/71/89/56/382718956.db2.gz IMBSXFKPAXHGBZ-GOSISDBHSA-N 1 3 293.499 2.835 20 30 CFEDHO C=CCCCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000193341211 382718957 /nfs/dbraw/zinc/71/89/57/382718957.db2.gz IMBSXFKPAXHGBZ-GOSISDBHSA-N 1 3 293.499 2.835 20 30 CFEDHO CC(C)(CN[C@H]1CCC[C@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782965 382992242 /nfs/dbraw/zinc/99/22/42/382992242.db2.gz HJACMNKKCRVMSX-GJZGRUSLSA-N 1 3 263.429 2.780 20 30 CFEDHO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)CN1CCCC1 ZINC000446782965 382992243 /nfs/dbraw/zinc/99/22/43/382992243.db2.gz HJACMNKKCRVMSX-GJZGRUSLSA-N 1 3 263.429 2.780 20 30 CFEDHO N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@H]1CN ZINC000422988435 382998778 /nfs/dbraw/zinc/99/87/78/382998778.db2.gz KLJPUEDCRBADQP-HOCLYGCPSA-N 1 3 289.448 2.508 20 30 CFEDHO CCNCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000583558660 383090780 /nfs/dbraw/zinc/09/07/80/383090780.db2.gz HBCMBNVRULSOJU-UHFFFAOYSA-N 1 3 285.435 2.980 20 30 CFEDHO CC(C)N(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449072856 383162244 /nfs/dbraw/zinc/16/22/44/383162244.db2.gz LVNVXPDYMMUNRY-UHFFFAOYSA-N 1 3 251.418 2.779 20 30 CFEDHO CC(C)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000248868104 383300516 /nfs/dbraw/zinc/30/05/16/383300516.db2.gz QIAQYNGMIADRMC-PMPSAXMXSA-N 1 3 263.429 2.779 20 30 CFEDHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449520379 383353459 /nfs/dbraw/zinc/35/34/59/383353459.db2.gz PEEMZMMIMIKOQQ-OWLYRPNTSA-N 1 3 292.467 2.963 20 30 CFEDHO C=CCC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CC1 ZINC000635008273 383464513 /nfs/dbraw/zinc/46/45/13/383464513.db2.gz IOUGEBHICONZBM-MRXNPFEDSA-N 1 3 286.423 2.648 20 30 CFEDHO C#Cc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000289320664 197295884 /nfs/dbraw/zinc/29/58/84/197295884.db2.gz SZNNXGAZOCKCMX-UHFFFAOYSA-N 1 3 268.404 2.774 20 30 CFEDHO C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000289066491 197226205 /nfs/dbraw/zinc/22/62/05/197226205.db2.gz ACSOUYDDTKPIOX-DLBZAZTESA-N 1 3 256.393 2.630 20 30 CFEDHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423323536 533355450 /nfs/dbraw/zinc/35/54/50/533355450.db2.gz IBGURYXDHIYNJN-GFCCVEGCSA-N 1 3 275.371 2.738 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000249378537 131121680 /nfs/dbraw/zinc/12/16/80/131121680.db2.gz OFHZBDCQSSEMFO-HIFRSBDPSA-N 1 3 257.381 2.551 20 30 CFEDHO C=CCOCCN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000339095038 393818272 /nfs/dbraw/zinc/81/82/72/393818272.db2.gz FBTUODBEQSHCPV-HZPDHXFCSA-N 1 3 268.445 2.679 20 30 CFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000339095038 393818279 /nfs/dbraw/zinc/81/82/79/393818279.db2.gz FBTUODBEQSHCPV-HZPDHXFCSA-N 1 3 268.445 2.679 20 30 CFEDHO CC[C@H](N)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423441165 394281965 /nfs/dbraw/zinc/28/19/65/394281965.db2.gz AXECNYRLPFZKHS-GOEBONIOSA-N 1 3 257.381 2.653 20 30 CFEDHO C=CC[C@@H]1N(C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423580 413306454 /nfs/dbraw/zinc/30/64/54/413306454.db2.gz SJYZVIJCWWYHFA-HOTGVXAUSA-N 1 3 282.472 2.754 20 30 CFEDHO C=CC[C@@H]1N(C[C@@H](O)C[N@H+](C)C(C)C)CCCC1(C)C ZINC000660423580 413306458 /nfs/dbraw/zinc/30/64/58/413306458.db2.gz SJYZVIJCWWYHFA-HOTGVXAUSA-N 1 3 282.472 2.754 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000375792131 157286213 /nfs/dbraw/zinc/28/62/13/157286213.db2.gz PSOSDUNDIVBJMO-IKGGRYGDSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000375792131 157286216 /nfs/dbraw/zinc/28/62/16/157286216.db2.gz PSOSDUNDIVBJMO-IKGGRYGDSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000375792131 157286218 /nfs/dbraw/zinc/28/62/18/157286218.db2.gz PSOSDUNDIVBJMO-IKGGRYGDSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000375792135 157287105 /nfs/dbraw/zinc/28/71/05/157287105.db2.gz PSOSDUNDIVBJMO-ULQDDVLXSA-N 1 3 269.392 2.521 20 30 CFEDHO C[N@H+]1CC[C@H](NCc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000375792135 157287111 /nfs/dbraw/zinc/28/71/11/157287111.db2.gz PSOSDUNDIVBJMO-ULQDDVLXSA-N 1 3 269.392 2.521 20 30 CFEDHO CN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000375792135 157287113 /nfs/dbraw/zinc/28/71/13/157287113.db2.gz PSOSDUNDIVBJMO-ULQDDVLXSA-N 1 3 269.392 2.521 20 30 CFEDHO C=CCC[C@@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660680037 413492646 /nfs/dbraw/zinc/49/26/46/413492646.db2.gz WGKGDUKAIVDCJL-GOSISDBHSA-N 1 3 288.435 2.568 20 30 CFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000657837041 413989941 /nfs/dbraw/zinc/98/99/41/413989941.db2.gz XNZNRAYKQUVDNL-QZTJIDSGSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CCCC[C@@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325345 414507103 /nfs/dbraw/zinc/50/71/03/414507103.db2.gz MBUSQOMJZGBYKU-HZPDHXFCSA-N 1 3 268.445 2.774 20 30 CFEDHO CC[NH+]1CCC(N[C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000038098113 260125618 /nfs/dbraw/zinc/12/56/18/260125618.db2.gz TXISBSRILQDDFD-CQSZACIVSA-N 1 3 287.407 2.724 20 30 CFEDHO C[C@H](CCC#N)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000411430087 262693229 /nfs/dbraw/zinc/69/32/29/262693229.db2.gz SBVLFCZVTCTOHO-OAHLLOKOSA-N 1 3 286.423 2.922 20 30 CFEDHO C[C@H](CCC#N)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000411430087 262693230 /nfs/dbraw/zinc/69/32/30/262693230.db2.gz SBVLFCZVTCTOHO-OAHLLOKOSA-N 1 3 286.423 2.922 20 30 CFEDHO C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414813757 263053277 /nfs/dbraw/zinc/05/32/77/263053277.db2.gz YQWZBARMFVBRBP-NVXWUHKLSA-N 1 3 274.408 2.859 20 30 CFEDHO C=CC[C@H](CO)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000341890999 263364419 /nfs/dbraw/zinc/36/44/19/263364419.db2.gz UOZZYFKOTRBBNE-SOLBZPMBSA-N 1 3 294.483 2.804 20 30 CFEDHO C=CC[C@H](CO)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000341890999 263364421 /nfs/dbraw/zinc/36/44/21/263364421.db2.gz UOZZYFKOTRBBNE-SOLBZPMBSA-N 1 3 294.483 2.804 20 30 CFEDHO C=CCSCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231933681 264800092 /nfs/dbraw/zinc/80/00/92/264800092.db2.gz YHEMWEBBFTWRAZ-ZIAGYGMSSA-N 1 3 256.459 2.806 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000345754252 265096805 /nfs/dbraw/zinc/09/68/05/265096805.db2.gz DONXLSNYARXECE-OAHLLOKOSA-N 1 3 299.418 2.838 20 30 CFEDHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210413 288060555 /nfs/dbraw/zinc/06/05/55/288060555.db2.gz GETNAJYWDIPAAR-JQFCIGGWSA-N 1 3 271.408 2.987 20 30 CFEDHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(C#N)cc1 ZINC000349690458 279109339 /nfs/dbraw/zinc/10/93/39/279109339.db2.gz GJTBGAPDDBKIGX-OAHLLOKOSA-N 1 3 289.423 2.567 20 30 CFEDHO N#CCC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423093844 330169341 /nfs/dbraw/zinc/16/93/41/330169341.db2.gz IPMWSDPVIRGDPY-SOUVJXGZSA-N 1 3 261.413 2.581 20 30 CFEDHO N#CCC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423093842 330169495 /nfs/dbraw/zinc/16/94/95/330169495.db2.gz IPMWSDPVIRGDPY-RBSFLKMASA-N 1 3 261.413 2.581 20 30 CFEDHO C=C[C@@H]1OCCC[C@H]1N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423155244 330173445 /nfs/dbraw/zinc/17/34/45/330173445.db2.gz QIVRMJVYATYLBB-FPCVCCKLSA-N 1 3 266.429 2.620 20 30 CFEDHO CC(C)(CC#N)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171629 330174604 /nfs/dbraw/zinc/17/46/04/330174604.db2.gz PGWPXQKDRSNFQX-QAPCUYQASA-N 1 3 299.418 2.772 20 30 CFEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000335990757 335099206 /nfs/dbraw/zinc/09/92/06/335099206.db2.gz SXKJGKJJPBLELG-MSOLQXFVSA-N 1 3 283.419 2.669 20 30 CFEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000335990757 335099207 /nfs/dbraw/zinc/09/92/07/335099207.db2.gz SXKJGKJJPBLELG-MSOLQXFVSA-N 1 3 283.419 2.669 20 30 CFEDHO CCC[N@H+](C)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000081516600 334193691 /nfs/dbraw/zinc/19/36/91/334193691.db2.gz XEXBDUPNHWAIJS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCC[N@@H+](C)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000081516600 334193693 /nfs/dbraw/zinc/19/36/93/334193693.db2.gz XEXBDUPNHWAIJS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000081516600 334193695 /nfs/dbraw/zinc/19/36/95/334193695.db2.gz XEXBDUPNHWAIJS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO CCCN(C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000081516600 334193696 /nfs/dbraw/zinc/19/36/96/334193696.db2.gz XEXBDUPNHWAIJS-HNNXBMFYSA-N 1 3 265.445 2.980 20 30 CFEDHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(C#N)cc1 ZINC000423192500 533851497 /nfs/dbraw/zinc/85/14/97/533851497.db2.gz VNSOEJQPZQIFHE-HNNXBMFYSA-N 1 3 294.402 2.784 20 30 CFEDHO C[NH+](C)Cc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000071122901 521905560 /nfs/dbraw/zinc/90/55/60/521905560.db2.gz SMDIPIBZLITOIB-UHFFFAOYSA-N 1 3 279.387 2.910 20 30 CFEDHO CN(C)CC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000185291239 524047864 /nfs/dbraw/zinc/04/78/64/524047864.db2.gz XXSVSNLBIGGUKG-UHFFFAOYSA-N 1 3 271.408 2.770 20 30 CFEDHO C#CCCOc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000113311091 526743521 /nfs/dbraw/zinc/74/35/21/526743521.db2.gz JZGIEUOMBFOCCI-UHFFFAOYSA-N 1 3 288.435 2.766 20 30 CFEDHO CC1(C)CNC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000902450145 621091537 /nfs/dbraw/zinc/09/15/37/621091537.db2.gz RHYNYFAHALTPFX-TVRKMHQQSA-N 1 3 297.446 2.978 20 30 CFEDHO C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CCN ZINC000903460620 621381572 /nfs/dbraw/zinc/38/15/72/621381572.db2.gz FRWDTQSTPMTLIQ-SLTXQBBLSA-N 1 3 263.429 2.766 20 30 CFEDHO C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1CCN ZINC000903460620 621381574 /nfs/dbraw/zinc/38/15/74/621381574.db2.gz FRWDTQSTPMTLIQ-SLTXQBBLSA-N 1 3 263.429 2.766 20 30 CFEDHO N#Cc1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000903792967 621439367 /nfs/dbraw/zinc/43/93/67/621439367.db2.gz KKQPAGALRGFRIV-UHFFFAOYSA-N 1 3 295.386 2.644 20 30 CFEDHO C[C@H](CC(C)(C)C#N)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000925440373 624356469 /nfs/dbraw/zinc/35/64/69/624356469.db2.gz RBYICRZXOLIBLO-OAGGEKHMSA-N 1 3 295.471 2.794 20 30 CFEDHO C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000923491956 626476632 /nfs/dbraw/zinc/47/66/32/626476632.db2.gz KVWYJTFHWZOYRT-SMDDNHRTSA-N 1 3 277.799 2.628 20 30 CFEDHO C#CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000760843836 626777419 /nfs/dbraw/zinc/77/74/19/626777419.db2.gz QKWKZDZKKUELPF-IBGZPJMESA-N 1 3 282.431 2.998 20 30 CFEDHO C#CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000760843836 626777423 /nfs/dbraw/zinc/77/74/23/626777423.db2.gz QKWKZDZKKUELPF-IBGZPJMESA-N 1 3 282.431 2.998 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccccc1C[N@H+](C)[C@H](C)C#C ZINC000769962099 627492670 /nfs/dbraw/zinc/49/26/70/627492670.db2.gz XNZRPVPCROMDMK-HZPDHXFCSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@@H](C)N(C)Cc1ccccc1C[N@@H+](C)[C@H](C)C#C ZINC000769962099 627492671 /nfs/dbraw/zinc/49/26/71/627492671.db2.gz XNZRPVPCROMDMK-HZPDHXFCSA-N 1 3 268.404 2.594 20 30 CFEDHO C#C[C@H](CC)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809686217 631262335 /nfs/dbraw/zinc/26/23/35/631262335.db2.gz AYENJTONRXTLJK-QGZVFWFLSA-N 1 3 286.419 2.663 20 30 CFEDHO CCN(CC)c1ccc(/C=[NH+]/CC[C@H](C)[NH+](C)C)c([O-])c1 ZINC000849170484 633578520 /nfs/dbraw/zinc/57/85/20/633578520.db2.gz PXZZHYSPQFVDNJ-RAOBZKRQSA-N 1 3 291.439 2.998 20 30 CFEDHO CC(C)[NH+]1CCC(CCNC[C@@H](C#N)CCC#N)CC1 ZINC000871911247 641509948 /nfs/dbraw/zinc/50/99/48/641509948.db2.gz FPZPKWZYASSFME-MRXNPFEDSA-N 1 3 276.428 2.530 20 30 CFEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873276537 642114962 /nfs/dbraw/zinc/11/49/62/642114962.db2.gz UVGRBQDVWGVPGH-NIKGAXFTSA-N 1 3 297.446 2.926 20 30 CFEDHO C#CCCCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000878147247 643760103 /nfs/dbraw/zinc/76/01/03/643760103.db2.gz BDYBFLUYLYFVML-MRXNPFEDSA-N 1 3 250.430 2.844 20 30 CFEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000303708959 650999462 /nfs/dbraw/zinc/99/94/62/650999462.db2.gz NKVIQZAKGYMXSM-CABCVRRESA-N 1 3 282.476 2.590 20 30 CFEDHO COc1cccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)c1 ZINC000303723925 650999876 /nfs/dbraw/zinc/99/98/76/650999876.db2.gz ZJIIEDLSHCWIIY-UHFFFAOYSA-N 1 3 292.427 2.541 20 30 CFEDHO C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)N2CCC[C@H](C)C2)C1 ZINC000303888803 651006364 /nfs/dbraw/zinc/00/63/64/651006364.db2.gz PEFSCLLPHJFBBT-CABCVRRESA-N 1 3 294.487 2.544 20 30 CFEDHO C=CCC[C@@H]([NH2+]CCCN(C)C(C)C)[C@@H]1CCCO1 ZINC000883169549 645637618 /nfs/dbraw/zinc/63/76/18/645637618.db2.gz YRPUCQFMHQHEPO-CVEARBPZSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@@H](NCCC[N@@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000883169549 645637622 /nfs/dbraw/zinc/63/76/22/645637622.db2.gz YRPUCQFMHQHEPO-CVEARBPZSA-N 1 3 268.445 2.820 20 30 CFEDHO C=CCC[C@@H](NCCC[N@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000883169549 645637623 /nfs/dbraw/zinc/63/76/23/645637623.db2.gz YRPUCQFMHQHEPO-CVEARBPZSA-N 1 3 268.445 2.820 20 30 CFEDHO C=C(C)C[NH+]1CCC(N[C@@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886524290 647029069 /nfs/dbraw/zinc/02/90/69/647029069.db2.gz HQISDBBILSCJID-QGZVFWFLSA-N 1 3 290.455 2.747 20 30 CFEDHO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(C)(C)C#N)C1 ZINC000925524586 648199273 /nfs/dbraw/zinc/19/92/73/648199273.db2.gz VXFMHDOHGAFBSX-MCIONIFRSA-N 1 3 251.418 2.633 20 30 CFEDHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(C)(C)C#N)C1 ZINC000925524586 648199289 /nfs/dbraw/zinc/19/92/89/648199289.db2.gz VXFMHDOHGAFBSX-MCIONIFRSA-N 1 3 251.418 2.633 20 30 CFEDHO N#Cc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925714324 648293105 /nfs/dbraw/zinc/29/31/05/648293105.db2.gz PZTZPPCNTVKQON-MOPGFXCFSA-N 1 3 297.446 2.859 20 30 CFEDHO CSc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000925773477 648318051 /nfs/dbraw/zinc/31/80/51/648318051.db2.gz NVNULQLHDDRNSS-UKRRQHHQSA-N 1 3 289.448 2.887 20 30 CFEDHO CC(C)(CNC(=[NH2+])NC1CCCCCC1)N1CCCCC1 ZINC000305744256 651073940 /nfs/dbraw/zinc/07/39/40/651073940.db2.gz LJYPLYHYJGUQAS-UHFFFAOYSA-N 1 3 294.487 2.878 20 30 CFEDHO C=CCCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209207696 770012371 /nfs/dbraw/zinc/01/23/71/770012371.db2.gz CGDUXHWQFJAVAU-UHFFFAOYSA-N 1 3 259.397 2.868 20 30 CFEDHO CC[NH+](CC)CCC[C@H](C)N1CC[C@@](C)(C#N)C1 ZINC001167835574 776585144 /nfs/dbraw/zinc/58/51/44/776585144.db2.gz RJADPCJCCYUVRR-GJZGRUSLSA-N 1 3 251.418 2.732 20 30 CFEDHO C[NH+](C)Cc1cc(F)cc(CN2CCC(S)CC2)c1 ZINC001232146407 777451336 /nfs/dbraw/zinc/45/13/36/777451336.db2.gz PVGRLGHLHRWEMQ-UHFFFAOYSA-N 1 3 282.428 2.782 20 30 CFEDHO CCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235404037 778477594 /nfs/dbraw/zinc/47/75/94/778477594.db2.gz MBOXFDQXZXPBCI-CABCVRRESA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235404037 778477598 /nfs/dbraw/zinc/47/75/98/778477598.db2.gz MBOXFDQXZXPBCI-CABCVRRESA-N 1 3 256.409 2.980 20 30 CFEDHO CCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404037 778477601 /nfs/dbraw/zinc/47/76/01/778477601.db2.gz MBOXFDQXZXPBCI-CABCVRRESA-N 1 3 256.409 2.980 20 30 CFEDHO C=CCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235403533 778477618 /nfs/dbraw/zinc/47/76/18/778477618.db2.gz KZIFEKSQZNRQOL-HUUCEWRRSA-N 1 3 254.393 2.756 20 30 CFEDHO C=CCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235403533 778477620 /nfs/dbraw/zinc/47/76/20/778477620.db2.gz KZIFEKSQZNRQOL-HUUCEWRRSA-N 1 3 254.393 2.756 20 30 CFEDHO CCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235946145 778620268 /nfs/dbraw/zinc/62/02/68/778620268.db2.gz KOIDIQXZPPPOSV-UHFFFAOYSA-N 1 3 256.434 2.657 20 30 CFEDHO CCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235946145 778620264 /nfs/dbraw/zinc/62/02/64/778620264.db2.gz KOIDIQXZPPPOSV-UHFFFAOYSA-N 1 3 256.434 2.657 20 30 CFEDHO CCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235946145 778620262 /nfs/dbraw/zinc/62/02/62/778620262.db2.gz KOIDIQXZPPPOSV-UHFFFAOYSA-N 1 3 256.434 2.657 20 30 CFEDHO C[C@@H](NCC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000595089956 349576991 /nfs/dbraw/zinc/57/69/91/349576991.db2.gz ARVQVBBIZZWAQI-CQSZACIVSA-N 1 3 263.429 2.780 20 30 CFEDHO CCC[NH+]1CCC(N(C)CCc2ccc(C#N)cc2)CC1 ZINC000595346578 349607067 /nfs/dbraw/zinc/60/70/67/349607067.db2.gz KJDMVQFCHDXUII-UHFFFAOYSA-N 1 3 285.435 2.907 20 30 CFEDHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595375846 349612014 /nfs/dbraw/zinc/61/20/14/349612014.db2.gz FAKHJLLJVFLCDR-CRAIPNDOSA-N 1 3 285.435 2.763 20 30 CFEDHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595375846 349612016 /nfs/dbraw/zinc/61/20/16/349612016.db2.gz FAKHJLLJVFLCDR-CRAIPNDOSA-N 1 3 285.435 2.763 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095396 349793522 /nfs/dbraw/zinc/79/35/22/349793522.db2.gz PZITXJMYVAOTPA-ZACQAIPSSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596095396 349793524 /nfs/dbraw/zinc/79/35/24/349793524.db2.gz PZITXJMYVAOTPA-ZACQAIPSSA-N 1 3 275.440 2.780 20 30 CFEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000596095396 349793526 /nfs/dbraw/zinc/79/35/26/349793526.db2.gz PZITXJMYVAOTPA-ZACQAIPSSA-N 1 3 275.440 2.780 20 30 CFEDHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000596652034 349968702 /nfs/dbraw/zinc/96/87/02/349968702.db2.gz FJGPAXSKDKWUAY-SJORKVTESA-N 1 3 271.408 2.899 20 30 CFEDHO C[NH2+]C[C@@H](C)NC1CCC(C#N)(c2ccccc2)CC1 ZINC000596652076 349968907 /nfs/dbraw/zinc/96/89/07/349968907.db2.gz GJXCFSNIRUWOOF-ODIFPOPNSA-N 1 3 271.408 2.588 20 30 CFEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596650212 349968958 /nfs/dbraw/zinc/96/89/58/349968958.db2.gz JLXHMENPJLGQOW-KZNAEPCWSA-N 1 3 283.419 2.611 20 30 CFEDHO CC#CCN1CCC(CCC[NH+](CC)CC)CC1 ZINC000122663547 347816432 /nfs/dbraw/zinc/81/64/32/347816432.db2.gz CHTJWLOBAVITHQ-UHFFFAOYSA-N 1 3 250.430 2.844 20 30 CFEDHO CC#CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000160363560 348017226 /nfs/dbraw/zinc/01/72/26/348017226.db2.gz ZQVFDBMCMZTLSF-UHFFFAOYSA-N 1 3 270.420 2.854 20 30 CFEDHO CC#CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160363560 348017228 /nfs/dbraw/zinc/01/72/28/348017228.db2.gz ZQVFDBMCMZTLSF-UHFFFAOYSA-N 1 3 270.420 2.854 20 30 CFEDHO C[NH+](C)CCOc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000590970622 348974570 /nfs/dbraw/zinc/97/45/70/348974570.db2.gz BDCHZTBIDBPHHH-UHFFFAOYSA-N 1 3 289.423 2.656 20 30 CFEDHO CCN1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594495094 349430323 /nfs/dbraw/zinc/43/03/23/349430323.db2.gz LVIGGGPHPAHAHC-MRXNPFEDSA-N 1 3 285.435 2.919 20 30 CFEDHO CN1CCCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000598995461 350356782 /nfs/dbraw/zinc/35/67/82/350356782.db2.gz XWOXDUVWRZQEFL-CQSZACIVSA-N 1 3 251.418 2.638 20 30 CFEDHO Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C#N ZINC000599416603 350432783 /nfs/dbraw/zinc/43/27/83/350432783.db2.gz HLHXFBQJFJQPRA-JWTNVVGKSA-N 1 3 283.419 2.924 20 30 CFEDHO Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C#N ZINC000599416603 350432787 /nfs/dbraw/zinc/43/27/87/350432787.db2.gz HLHXFBQJFJQPRA-JWTNVVGKSA-N 1 3 283.419 2.924 20 30 CFEDHO C[C@H](CCC#N)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000602478249 350898628 /nfs/dbraw/zinc/89/86/28/350898628.db2.gz OKLWNEQSWPKHTM-HZPDHXFCSA-N 1 3 263.429 2.877 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]CCCN1CCCC[C@H]1C ZINC000602504819 350908302 /nfs/dbraw/zinc/90/83/02/350908302.db2.gz WGDYFZXJMPTUCP-LSDHHAIUSA-N 1 3 251.418 2.780 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000602516995 350912364 /nfs/dbraw/zinc/91/23/64/350912364.db2.gz UYOLXMNLAFXGOP-HNNXBMFYSA-N 1 3 289.423 2.656 20 30 CFEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000602564754 350926903 /nfs/dbraw/zinc/92/69/03/350926903.db2.gz CNRICXXLJJKZTG-AWEZNQCLSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](CC[NH2+]C1CCC(C#N)CC1)N1CCCCC1 ZINC000602607188 350943681 /nfs/dbraw/zinc/94/36/81/350943681.db2.gz IAVNSAMUFQJIEH-QQFBHYJXSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cccc(C#N)c1 ZINC000423095163 238198707 /nfs/dbraw/zinc/19/87/07/238198707.db2.gz DLIYUGUCXSJKKB-KXBFYZLASA-N 1 3 293.414 2.649 20 30 CFEDHO C=CCOc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000020087847 372227100 /nfs/dbraw/zinc/22/71/00/372227100.db2.gz LLGNQIAQGIDBRQ-UHFFFAOYSA-N 1 3 276.424 2.929 20 30 CFEDHO CC[C@H](C)NC(=[NH2+])NCc1ccccc1CN(CC)CC ZINC000264144749 383700183 /nfs/dbraw/zinc/70/01/83/383700183.db2.gz XOSQARXYIKBDRI-AWEZNQCLSA-N 1 3 290.455 2.731 20 30 CFEDHO CCCN1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000093492177 375254382 /nfs/dbraw/zinc/25/43/82/375254382.db2.gz XLVCQIKEQZNNLZ-UHFFFAOYSA-N 1 3 263.410 2.584 20 30 CFEDHO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000158472493 378669419 /nfs/dbraw/zinc/66/94/19/378669419.db2.gz WAYPCSWMAPRHLS-LSJNQWAISA-N 1 3 295.430 2.684 20 30 CFEDHO N#C[C@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000335020270 379957610 /nfs/dbraw/zinc/95/76/10/379957610.db2.gz HFMLFHKSGMDLOY-NGHVJFNESA-N 1 3 287.451 2.812 20 30 CFEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719577 381496775 /nfs/dbraw/zinc/49/67/75/381496775.db2.gz GKUJGJHUTNAXCK-MAUKXSAKSA-N 1 3 285.435 2.915 20 30 CFEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719577 381496779 /nfs/dbraw/zinc/49/67/79/381496779.db2.gz GKUJGJHUTNAXCK-MAUKXSAKSA-N 1 3 285.435 2.915 20 30 CFEDHO N#C[C@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000185878235 381765418 /nfs/dbraw/zinc/76/54/18/381765418.db2.gz PSCMXHACEFEDDX-IRXDYDNUSA-N 1 3 298.434 2.970 20 30 CFEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCC2)o1 ZINC000293049478 381967162 /nfs/dbraw/zinc/96/71/62/381967162.db2.gz RLQUOVIZHAKFGJ-UHFFFAOYSA-N 1 3 261.369 2.507 20 30 CFEDHO C#CCCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375450685 382086911 /nfs/dbraw/zinc/08/69/11/382086911.db2.gz ZWXIPSZZAOABMZ-IAGOWNOFSA-N 1 3 256.393 2.682 20 30 CFEDHO C#CCCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375450685 382086914 /nfs/dbraw/zinc/08/69/14/382086914.db2.gz ZWXIPSZZAOABMZ-IAGOWNOFSA-N 1 3 256.393 2.682 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000345822856 382316207 /nfs/dbraw/zinc/31/62/07/382316207.db2.gz YEIZHGJQHKQQDO-HUUCEWRRSA-N 1 3 299.418 2.837 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000345822856 382316213 /nfs/dbraw/zinc/31/62/13/382316213.db2.gz YEIZHGJQHKQQDO-HUUCEWRRSA-N 1 3 299.418 2.837 20 30 CFEDHO C=CCN(CC[C@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420320576 382366438 /nfs/dbraw/zinc/36/64/38/382366438.db2.gz QRCYMTTZNQAFGR-OAHLLOKOSA-N 1 3 274.408 2.683 20 30 CFEDHO C=CCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000365835528 382452462 /nfs/dbraw/zinc/45/24/62/382452462.db2.gz GGKBDKLKVVMQAY-BRWVUGGUSA-N 1 3 280.456 2.916 20 30 CFEDHO C=CCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000311884808 382508854 /nfs/dbraw/zinc/50/88/54/382508854.db2.gz YZIVIGGOSXAXCL-CQSZACIVSA-N 1 3 262.397 2.539 20 30 CFEDHO C[C@@H]1CCC[C@](CN[C@H]2CC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000442712282 382948027 /nfs/dbraw/zinc/94/80/27/382948027.db2.gz GEBIIENMMYEGBS-UGUYLWEFSA-N 1 3 263.429 2.779 20 30 CFEDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442764203 382953038 /nfs/dbraw/zinc/95/30/38/382953038.db2.gz CNNBIDMYUTXCSQ-YOEHRIQHSA-N 1 3 271.408 2.920 20 30 CFEDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442764203 382953040 /nfs/dbraw/zinc/95/30/40/382953040.db2.gz CNNBIDMYUTXCSQ-YOEHRIQHSA-N 1 3 271.408 2.920 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000442774689 382954285 /nfs/dbraw/zinc/95/42/85/382954285.db2.gz FELJLAIGSKTUTI-WBVHZDCISA-N 1 3 275.440 2.923 20 30 CFEDHO N#Cc1ccc(OCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422988067 382999089 /nfs/dbraw/zinc/99/90/89/382999089.db2.gz IADBCUAVVHPDRJ-ZWKOTPCHSA-N 1 3 293.370 2.671 20 30 CFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CC2 ZINC000579354523 383007471 /nfs/dbraw/zinc/00/74/71/383007471.db2.gz BPTNIRYEYNBENH-SFHVURJKSA-N 1 3 277.371 2.794 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246972902 383127782 /nfs/dbraw/zinc/12/77/82/383127782.db2.gz OTCROJUSXPGKOC-ZBFHGGJFSA-N 1 3 271.408 2.893 20 30 CFEDHO C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246972902 383127786 /nfs/dbraw/zinc/12/77/86/383127786.db2.gz OTCROJUSXPGKOC-ZBFHGGJFSA-N 1 3 271.408 2.893 20 30 CFEDHO N#C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000583815915 383092968 /nfs/dbraw/zinc/09/29/68/383092968.db2.gz FEPVXVMYKPRKPB-CVEARBPZSA-N 1 3 284.407 2.580 20 30 CFEDHO N#CCC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562058 383165434 /nfs/dbraw/zinc/16/54/34/383165434.db2.gz KOFAFMLXMWGRPX-YJBOKZPZSA-N 1 3 297.402 2.526 20 30 CFEDHO C[C@H](CCN[C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000248816612 383292780 /nfs/dbraw/zinc/29/27/80/383292780.db2.gz KZMWCLFREZXVLM-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)N1CCCCC1 ZINC000248816612 383292784 /nfs/dbraw/zinc/29/27/84/383292784.db2.gz KZMWCLFREZXVLM-BZUAXINKSA-N 1 3 263.429 2.923 20 30 CFEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000248849387 383297415 /nfs/dbraw/zinc/29/74/15/383297415.db2.gz OOBRQBQGIKCHGU-YYIAUSFCSA-N 1 3 293.455 2.548 20 30 CFEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000449546671 383354279 /nfs/dbraw/zinc/35/42/79/383354279.db2.gz CZYYBDGJQYKKNQ-CABCVRRESA-N 1 3 266.429 2.573 20 30 CFEDHO C=CC[C@H](C)[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007121 383463591 /nfs/dbraw/zinc/46/35/91/383463591.db2.gz FBJOBUMUOHFCJN-UONOGXRCSA-N 1 3 274.412 2.504 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938653 385405631 /nfs/dbraw/zinc/40/56/31/385405631.db2.gz ODUOAMWDGKHEMT-STQMWFEESA-N 1 3 275.371 2.690 20 30 CFEDHO C[NH+]1CCC2(CCN(CC#Cc3ccc(F)cc3)C2)CC1 ZINC000639757387 385698500 /nfs/dbraw/zinc/69/85/00/385698500.db2.gz KNXODRIRIGMEJP-UHFFFAOYSA-N 1 3 286.394 2.595 20 30 CFEDHO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)ccc1C#N ZINC000281659547 195325384 /nfs/dbraw/zinc/32/53/84/195325384.db2.gz KPHZNVQKKMLUIJ-UHFFFAOYSA-N 1 3 287.407 2.529 20 30 CFEDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000249370473 131121193 /nfs/dbraw/zinc/12/11/93/131121193.db2.gz AZAKLTRTMPQTND-HIFRSBDPSA-N 1 3 257.381 2.551 20 30 CFEDHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339059619 393813684 /nfs/dbraw/zinc/81/36/84/393813684.db2.gz GHCPHIVLXMYWPH-SJLPKXTDSA-N 1 3 298.434 2.922 20 30 CFEDHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339059619 393813687 /nfs/dbraw/zinc/81/36/87/393813687.db2.gz GHCPHIVLXMYWPH-SJLPKXTDSA-N 1 3 298.434 2.922 20 30 CFEDHO CC(C)N(C)Cc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000262011824 393952719 /nfs/dbraw/zinc/95/27/19/393952719.db2.gz UJKKTRWCYAOYQP-UHFFFAOYSA-N 1 3 290.455 2.506 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360777257 394158676 /nfs/dbraw/zinc/15/86/76/394158676.db2.gz KPHRVMQUNUXHOH-OWCLPIDISA-N 1 3 275.440 2.732 20 30 CFEDHO CC(C)(CCC#N)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360777257 394158678 /nfs/dbraw/zinc/15/86/78/394158678.db2.gz KPHRVMQUNUXHOH-OWCLPIDISA-N 1 3 275.440 2.732 20 30 CFEDHO C=C(C)[C@@H](CO)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245900 395459864 /nfs/dbraw/zinc/45/98/64/395459864.db2.gz ZHZTWNSNVSIOMF-QGZVFWFLSA-N 1 3 280.456 2.511 20 30 CFEDHO C=CCCC[C@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325347 414507191 /nfs/dbraw/zinc/50/71/91/414507191.db2.gz MBUSQOMJZGBYKU-JKSUJKDBSA-N 1 3 268.445 2.774 20 30 CFEDHO CCN1CC[C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037192 260206868 /nfs/dbraw/zinc/20/68/68/260206868.db2.gz HLKXXOWFZMMFIB-FAEJEUNOSA-N 1 3 283.419 2.542 20 30 CFEDHO CC1(C#N)CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000449092280 260210480 /nfs/dbraw/zinc/21/04/80/260210480.db2.gz TYAFLENREHDUCH-LVDPKSTMSA-N 1 3 261.413 2.675 20 30 CFEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(OCC#N)cc1)C2 ZINC000285414744 263092785 /nfs/dbraw/zinc/09/27/85/263092785.db2.gz GDFJNKOTZBBTRZ-SJPCQFCGSA-N 1 3 299.418 2.646 20 30 CFEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(OCC#N)cc1)C2 ZINC000285414744 263092786 /nfs/dbraw/zinc/09/27/86/263092786.db2.gz GDFJNKOTZBBTRZ-SJPCQFCGSA-N 1 3 299.418 2.646 20 30 CFEDHO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)CN(C)C)c1 ZINC000291869565 263126260 /nfs/dbraw/zinc/12/62/60/263126260.db2.gz HGFCEHMAYYDOHQ-ZDUSSCGKSA-N 1 3 276.428 2.734 20 30 CFEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000357802303 266365972 /nfs/dbraw/zinc/36/59/72/266365972.db2.gz PFVVJTQZEVNUNM-HNNXBMFYSA-N 1 3 299.418 2.694 20 30 CFEDHO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000289066492 275388070 /nfs/dbraw/zinc/38/80/70/275388070.db2.gz ACSOUYDDTKPIOX-IAGOWNOFSA-N 1 3 256.393 2.630 20 30 CFEDHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379878 288088799 /nfs/dbraw/zinc/08/87/99/288088799.db2.gz YBXVCQWYVSBMLA-PMPSAXMXSA-N 1 3 257.381 2.869 20 30 CFEDHO C=CCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000571392566 328118059 /nfs/dbraw/zinc/11/80/59/328118059.db2.gz USYWUWYSQSHMDG-ROUUACIJSA-N 1 3 293.499 2.833 20 30 CFEDHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185760142 329331271 /nfs/dbraw/zinc/33/12/71/329331271.db2.gz QBWIYNILTVIJAA-DLBZAZTESA-N 1 3 271.408 2.920 20 30 CFEDHO CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185772653 329331629 /nfs/dbraw/zinc/33/16/29/329331629.db2.gz OZZXJLZDGQTGOU-GDBMZVCRSA-N 1 3 263.429 2.779 20 30 CFEDHO N#CCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000580432011 330131663 /nfs/dbraw/zinc/13/16/63/330131663.db2.gz KKCKLLYSHZANII-CVEARBPZSA-N 1 3 257.381 2.502 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000424368363 330348097 /nfs/dbraw/zinc/34/80/97/330348097.db2.gz PSJKTODNABQFHM-XLNGHYISSA-N 1 3 269.392 2.762 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000424378515 330349017 /nfs/dbraw/zinc/34/90/17/330349017.db2.gz SVZPECNYLJRQTJ-OLMNGRFOSA-N 1 3 261.413 2.579 20 30 CFEDHO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424378759 330349076 /nfs/dbraw/zinc/34/90/76/330349076.db2.gz NPWCKOQBQKOSQA-HZPDHXFCSA-N 1 3 260.381 2.611 20 30 CFEDHO CC(C)(C)N1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459684082 331294209 /nfs/dbraw/zinc/29/42/09/331294209.db2.gz BPJKCTGGTRMTOJ-UHFFFAOYSA-N 1 3 251.418 2.779 20 30 CFEDHO C=CCOc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000548783557 334174118 /nfs/dbraw/zinc/17/41/18/334174118.db2.gz DWPBYHNFQRFUHF-UHFFFAOYSA-N 1 3 262.397 2.635 20 30 CFEDHO C=CCOc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000548783557 334174119 /nfs/dbraw/zinc/17/41/19/334174119.db2.gz DWPBYHNFQRFUHF-UHFFFAOYSA-N 1 3 262.397 2.635 20 30 CFEDHO CCCN1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233020382 519846701 /nfs/dbraw/zinc/84/67/01/519846701.db2.gz VERZZEGOKWTCIK-UHFFFAOYSA-N 1 3 287.407 2.531 20 30 CFEDHO C=CCOc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352527037 526865832 /nfs/dbraw/zinc/86/58/32/526865832.db2.gz VLJMYSNKVXPRMX-MRXNPFEDSA-N 1 3 274.408 2.955 20 30 CFEDHO C#CCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000113315165 527103478 /nfs/dbraw/zinc/10/34/78/527103478.db2.gz BMXOVNTWDBBNDX-UHFFFAOYSA-N 1 3 286.419 2.661 20 30 CFEDHO CC[NH+]1CCC(CCNCc2ccc(C#N)c(F)c2)CC1 ZINC000421362589 528968060 /nfs/dbraw/zinc/96/80/60/528968060.db2.gz JQUGWUHIKMBTOT-UHFFFAOYSA-N 1 3 289.398 2.909 20 30 CFEDHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925655644 618410967 /nfs/dbraw/zinc/41/09/67/618410967.db2.gz SXCMLSDWGADPRZ-NCOXYXGASA-N 1 3 275.440 2.683 20 30 CFEDHO C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178412716 618994862 /nfs/dbraw/zinc/99/48/62/618994862.db2.gz LOYVLLJEJUREGR-MRXNPFEDSA-N 1 3 286.419 2.835 20 30 CFEDHO CCc1ccc(NC(=[NH2+])NC[C@@H](CC)N2CCCC2)cc1 ZINC000104166853 619015590 /nfs/dbraw/zinc/01/55/90/619015590.db2.gz WGKMXTBQMWAGKK-MRXNPFEDSA-N 1 3 288.439 2.850 20 30 CFEDHO Cc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841877 619175057 /nfs/dbraw/zinc/17/50/57/619175057.db2.gz UIZBQVWZCZWWDH-HOTGVXAUSA-N 1 3 271.408 2.862 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000926961462 620432431 /nfs/dbraw/zinc/43/24/31/620432431.db2.gz JJGFDAXYQJQYQZ-KURKYZTESA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000926961462 620432433 /nfs/dbraw/zinc/43/24/33/620432433.db2.gz JJGFDAXYQJQYQZ-KURKYZTESA-N 1 3 283.419 2.829 20 30 CFEDHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000926961462 620432436 /nfs/dbraw/zinc/43/24/36/620432436.db2.gz JJGFDAXYQJQYQZ-KURKYZTESA-N 1 3 283.419 2.829 20 30 CFEDHO CC[C@H](NCCC[N@H+](C)CCOC)c1cccc(C#N)c1 ZINC000902745496 621163684 /nfs/dbraw/zinc/16/36/84/621163684.db2.gz PCUVWNCZANIVAO-KRWDZBQOSA-N 1 3 289.423 2.567 20 30 CFEDHO CC[C@H](NCCC[N@@H+](C)CCOC)c1cccc(C#N)c1 ZINC000902745496 621163686 /nfs/dbraw/zinc/16/36/86/621163686.db2.gz PCUVWNCZANIVAO-KRWDZBQOSA-N 1 3 289.423 2.567 20 30 CFEDHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797446 621180101 /nfs/dbraw/zinc/18/01/01/621180101.db2.gz WDIUZJLVBQPHQU-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000902797446 621180103 /nfs/dbraw/zinc/18/01/03/621180103.db2.gz WDIUZJLVBQPHQU-WBVHZDCISA-N 1 3 271.408 2.941 20 30 CFEDHO CC1(C)CNCC[C@@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903753516 621432949 /nfs/dbraw/zinc/43/29/49/621432949.db2.gz VNQDYRVGXPVZJZ-AWEZNQCLSA-N 1 3 263.429 2.828 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911821387 622555792 /nfs/dbraw/zinc/55/57/92/622555792.db2.gz IMOORXUBCHVBMS-XHSDSOJGSA-N 1 3 297.487 2.650 20 30 CFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911821385 622555923 /nfs/dbraw/zinc/55/59/23/622555923.db2.gz IMOORXUBCHVBMS-PMPSAXMXSA-N 1 3 297.487 2.650 20 30 CFEDHO Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@H](C)N(C)C ZINC000922255845 626252893 /nfs/dbraw/zinc/25/28/93/626252893.db2.gz XYDSRXDOZUUFTL-AWEZNQCLSA-N 1 3 259.397 2.605 20 30 CFEDHO CC1([NH+]2CCC2)CCC(NCc2ccc(C#N)o2)CC1 ZINC000922847546 626379952 /nfs/dbraw/zinc/37/99/52/626379952.db2.gz UDABOAKBLCCPJS-UHFFFAOYSA-N 1 3 273.380 2.648 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166839 627181809 /nfs/dbraw/zinc/18/18/09/627181809.db2.gz WCKYVWFTSCZQFA-ZOBUZTSGSA-N 1 3 286.419 2.832 20 30 CFEDHO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166839 627181810 /nfs/dbraw/zinc/18/18/10/627181810.db2.gz WCKYVWFTSCZQFA-ZOBUZTSGSA-N 1 3 286.419 2.832 20 30 CFEDHO C#CCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000766905357 627226159 /nfs/dbraw/zinc/22/61/59/627226159.db2.gz GZIOLTBPRCERNO-SJORKVTESA-N 1 3 262.441 2.986 20 30 CFEDHO C#CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000766905357 627226161 /nfs/dbraw/zinc/22/61/61/627226161.db2.gz GZIOLTBPRCERNO-SJORKVTESA-N 1 3 262.441 2.986 20 30 CFEDHO C#CCCCN1CCC[C@@H]([N@H+](C)CCCC#C)CC1 ZINC000766935863 627227998 /nfs/dbraw/zinc/22/79/98/627227998.db2.gz QWRYRPOCJNVGIM-QGZVFWFLSA-N 1 3 260.425 2.600 20 30 CFEDHO C#CCCCN1CCC[C@@H]([N@@H+](C)CCCC#C)CC1 ZINC000766935863 627227999 /nfs/dbraw/zinc/22/79/99/627227999.db2.gz QWRYRPOCJNVGIM-QGZVFWFLSA-N 1 3 260.425 2.600 20 30 CFEDHO C#CCN(CC)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000769111533 627403455 /nfs/dbraw/zinc/40/34/55/627403455.db2.gz QOQHLVWQKYCEHD-UHFFFAOYSA-N 1 3 286.419 2.616 20 30 CFEDHO C[C@@H](C#N)OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000801915624 630486533 /nfs/dbraw/zinc/48/65/33/630486533.db2.gz SXUDUWKXSOVOFS-INIZCTEOSA-N 1 3 293.455 2.503 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720593 633324521 /nfs/dbraw/zinc/32/45/21/633324521.db2.gz ZUAKOBFBVQWOGH-HRCADAONSA-N 1 3 287.407 2.727 20 30 CFEDHO CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720594 633324625 /nfs/dbraw/zinc/32/46/25/633324625.db2.gz ZUAKOBFBVQWOGH-OWCLPIDISA-N 1 3 287.407 2.727 20 30 CFEDHO CC(C)[NH+]1CCC(CCNCc2cccc(C#N)n2)CC1 ZINC000877698696 643460945 /nfs/dbraw/zinc/46/09/45/643460945.db2.gz ZWFNNAACKVHZSN-UHFFFAOYSA-N 1 3 286.423 2.553 20 30 CFEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCCO1 ZINC000883239087 645687254 /nfs/dbraw/zinc/68/72/54/645687254.db2.gz VWPDAMBKYHTUGR-ULQDDVLXSA-N 1 3 280.456 2.822 20 30 CFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925654237 648264433 /nfs/dbraw/zinc/26/44/33/648264433.db2.gz FFTGCQFJPZFKCI-OWSLCNJRSA-N 1 3 292.467 2.726 20 30 CFEDHO CC(C)[NH+]1CCC(N[C@@H](C)CC(C)(C)C#N)CC1 ZINC000695856813 776064598 /nfs/dbraw/zinc/06/45/98/776064598.db2.gz AUMGQPKSZFBWAR-ZDUSSCGKSA-N 1 3 251.418 2.777 20 30 CFEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCC(C)(C)C#N)C2 ZINC000595506636 349645702 /nfs/dbraw/zinc/64/57/02/349645702.db2.gz FBRUCSFXQPTRRO-MRXNPFEDSA-N 1 3 263.429 2.734 20 30 CFEDHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCC(C)(C)C#N)C2 ZINC000595506636 349645703 /nfs/dbraw/zinc/64/57/03/349645703.db2.gz FBRUCSFXQPTRRO-MRXNPFEDSA-N 1 3 263.429 2.734 20 30 CFEDHO Cc1cc(C#N)ccc1CN1CCC(C[NH+](C)C)CC1 ZINC000165459211 348039930 /nfs/dbraw/zinc/03/99/30/348039930.db2.gz PVCGYWUIQQAOAX-UHFFFAOYSA-N 1 3 271.408 2.640 20 30 CFEDHO C=CCCCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000193349672 348142263 /nfs/dbraw/zinc/14/22/63/348142263.db2.gz PYBOAGQEJFRBIM-UHFFFAOYSA-N 1 3 268.445 2.511 20 30 CFEDHO N#C[C@H]1CCC[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000602020037 350833963 /nfs/dbraw/zinc/83/39/63/350833963.db2.gz IHEZAABELGFVAL-XJKSGUPXSA-N 1 3 269.392 2.504 20 30 CFEDHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000602022780 350834091 /nfs/dbraw/zinc/83/40/91/350834091.db2.gz VHHLVORPESZBAZ-YRGRVCCFSA-N 1 3 275.371 2.865 20 30 CFEDHO C[C@@H](CCC#N)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000602479136 350899924 /nfs/dbraw/zinc/89/99/24/350899924.db2.gz FVTAIPVPLITWLJ-GOEBONIOSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000602479136 350899925 /nfs/dbraw/zinc/89/99/25/350899925.db2.gz FVTAIPVPLITWLJ-GOEBONIOSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000602479136 350899928 /nfs/dbraw/zinc/89/99/28/350899928.db2.gz FVTAIPVPLITWLJ-GOEBONIOSA-N 1 3 263.429 2.590 20 30 CFEDHO C[C@@H](CCC#N)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000602479136 350899929 /nfs/dbraw/zinc/89/99/29/350899929.db2.gz FVTAIPVPLITWLJ-GOEBONIOSA-N 1 3 263.429 2.590 20 30 CFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000271474326 191159351 /nfs/dbraw/zinc/15/93/51/191159351.db2.gz MJWPJEWRDDFNNT-DOTOQJQBSA-N 1 3 286.419 2.519 20 30 CFEDHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270547 299366780 /nfs/dbraw/zinc/36/67/80/299366780.db2.gz GQVDZMJVMUYSGZ-APHBMKBZSA-N 1 3 257.381 2.726 20 30 CFEDHO CC(C)CNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264079300 383693335 /nfs/dbraw/zinc/69/33/35/383693335.db2.gz IDOBLOSYWUXHNF-UHFFFAOYSA-N 1 3 290.455 2.587 20 30 CFEDHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000092043731 375083748 /nfs/dbraw/zinc/08/37/48/375083748.db2.gz YBOOYAPTXKSVGM-CABCVRRESA-N 1 3 263.429 2.732 20 30 CFEDHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000092043731 375083753 /nfs/dbraw/zinc/08/37/53/375083753.db2.gz YBOOYAPTXKSVGM-CABCVRRESA-N 1 3 263.429 2.732 20 30 CFEDHO CCN(CC)C(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000104162927 375772103 /nfs/dbraw/zinc/77/21/03/375772103.db2.gz HSWSURODOOVYHD-UHFFFAOYSA-N 1 3 290.455 2.683 20 30 CFEDHO C=CCC[C@@H](CCC)[NH2+]CCCN1CCCN(C)CC1 ZINC000128683429 377353763 /nfs/dbraw/zinc/35/37/63/377353763.db2.gz MSJABVOWJMUZCA-QGZVFWFLSA-N 1 3 281.488 2.739 20 30 CFEDHO CN(C)C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227950 378100804 /nfs/dbraw/zinc/10/08/04/378100804.db2.gz BHFVBLQORRZVSV-OAHLLOKOSA-N 1 3 285.435 2.871 20 30 CFEDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227950 378100809 /nfs/dbraw/zinc/10/08/09/378100809.db2.gz BHFVBLQORRZVSV-OAHLLOKOSA-N 1 3 285.435 2.871 20 30 CFEDHO N#CC1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000334384816 379201514 /nfs/dbraw/zinc/20/15/14/379201514.db2.gz MGBJFBDYWYEQOO-QDIHITRGSA-N 1 3 261.413 2.533 20 30 CFEDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181875170 380924420 /nfs/dbraw/zinc/92/44/20/380924420.db2.gz RSZVKTJLMZENIT-YOEHRIQHSA-N 1 3 289.423 2.566 20 30 CFEDHO C#CCCCN1CCCC2(CCC[N@H+](CCCC#C)C2)C1 ZINC000368239828 380967392 /nfs/dbraw/zinc/96/73/92/380967392.db2.gz HOGUCRMBFIHDTD-UHFFFAOYSA-N 1 3 286.463 2.991 20 30 CFEDHO C#CCCCN1CCCC2(CCC[N@@H+](CCCC#C)C2)C1 ZINC000368239828 380967401 /nfs/dbraw/zinc/96/74/01/380967401.db2.gz HOGUCRMBFIHDTD-UHFFFAOYSA-N 1 3 286.463 2.991 20 30 CFEDHO C=CCCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297334847 381556376 /nfs/dbraw/zinc/55/63/76/381556376.db2.gz DCXMQFIVDVJVKA-UHFFFAOYSA-N 1 3 259.397 2.996 20 30 CFEDHO CCOCCC[N@@H+]1CC[C@@H](NCC(C)(C)CC#N)[C@H](C)C1 ZINC000414166333 381565322 /nfs/dbraw/zinc/56/53/22/381565322.db2.gz NIMODUFEMVQVBQ-HZPDHXFCSA-N 1 3 295.471 2.653 20 30 CFEDHO CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)CC#N)[C@H](C)C1 ZINC000414166333 381565325 /nfs/dbraw/zinc/56/53/25/381565325.db2.gz NIMODUFEMVQVBQ-HZPDHXFCSA-N 1 3 295.471 2.653 20 30 CFEDHO C[C@H]([NH2+]CCCCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185693235 381706232 /nfs/dbraw/zinc/70/62/32/381706232.db2.gz KEHDVHJKEILOFK-GJZGRUSLSA-N 1 3 263.429 2.923 20 30 CFEDHO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000185878215 381765461 /nfs/dbraw/zinc/76/54/61/381765461.db2.gz PSCMXHACEFEDDX-DLBZAZTESA-N 1 3 298.434 2.970 20 30 CFEDHO C=CCOc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292762722 381825651 /nfs/dbraw/zinc/82/56/51/381825651.db2.gz JPEQCHHAXJBQPU-SFHVURJKSA-N 1 3 286.419 2.779 20 30 CFEDHO C=CCOc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292762722 381825655 /nfs/dbraw/zinc/82/56/55/381825655.db2.gz JPEQCHHAXJBQPU-SFHVURJKSA-N 1 3 286.419 2.779 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000349755430 381986421 /nfs/dbraw/zinc/98/64/21/381986421.db2.gz GCWSGCJGQZRREU-USXIJHARSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000349755430 381986427 /nfs/dbraw/zinc/98/64/27/381986427.db2.gz GCWSGCJGQZRREU-USXIJHARSA-N 1 3 280.456 2.556 20 30 CFEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000345812536 382314688 /nfs/dbraw/zinc/31/46/88/382314688.db2.gz ICKPXTXFUOVIQW-HNNXBMFYSA-N 1 3 299.418 2.694 20 30 CFEDHO C=CCN(CC[C@@H]1CC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420311013 382360303 /nfs/dbraw/zinc/36/03/03/382360303.db2.gz VRWWVBMQQLEDIW-AWEZNQCLSA-N 1 3 289.379 2.582 20 30 CFEDHO C=CCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000365835529 382452451 /nfs/dbraw/zinc/45/24/51/382452451.db2.gz GGKBDKLKVVMQAY-GVDBMIGSSA-N 1 3 280.456 2.916 20 30 CFEDHO C=CCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000365835530 382452934 /nfs/dbraw/zinc/45/29/34/382452934.db2.gz GGKBDKLKVVMQAY-IXDOHACOSA-N 1 3 280.456 2.916 20 30 CFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346833471 382534299 /nfs/dbraw/zinc/53/42/99/382534299.db2.gz RMNYHLZDAIUXHL-RYQLBKOJSA-N 1 3 286.419 2.811 20 30 CFEDHO C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346833466 382534815 /nfs/dbraw/zinc/53/48/15/382534815.db2.gz RMNYHLZDAIUXHL-JQHSSLGASA-N 1 3 286.419 2.811 20 30 CFEDHO C[N@H+](CCCN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442635614 382940015 /nfs/dbraw/zinc/94/00/15/382940015.db2.gz KCSPZMSUFRVBED-DLBZAZTESA-N 1 3 271.408 2.790 20 30 CFEDHO C[N@@H+](CCCN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442635614 382940019 /nfs/dbraw/zinc/94/00/19/382940019.db2.gz KCSPZMSUFRVBED-DLBZAZTESA-N 1 3 271.408 2.790 20 30 CFEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000246883143 383117035 /nfs/dbraw/zinc/11/70/35/383117035.db2.gz FBSJWBYALGGIEI-OKZBNKHCSA-N 1 3 293.499 2.757 20 30 CFEDHO C=CC[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248531793 383254459 /nfs/dbraw/zinc/25/44/59/383254459.db2.gz YDYCUYDWYOIPJF-DJIMGWMZSA-N 1 3 280.456 2.556 20 30 CFEDHO C=CC[C@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248531793 383254461 /nfs/dbraw/zinc/25/44/61/383254461.db2.gz YDYCUYDWYOIPJF-DJIMGWMZSA-N 1 3 280.456 2.556 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000289231436 197269807 /nfs/dbraw/zinc/26/98/07/197269807.db2.gz KFSBKEVOZYYROR-MSOLQXFVSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000289231436 197269808 /nfs/dbraw/zinc/26/98/08/197269808.db2.gz KFSBKEVOZYYROR-MSOLQXFVSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289231441 197269850 /nfs/dbraw/zinc/26/98/50/197269850.db2.gz KFSBKEVOZYYROR-ROUUACIJSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289231441 197269852 /nfs/dbraw/zinc/26/98/52/197269852.db2.gz KFSBKEVOZYYROR-ROUUACIJSA-N 1 3 268.404 2.584 20 30 CFEDHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OCC#N)cc1 ZINC000271839290 385393875 /nfs/dbraw/zinc/39/38/75/385393875.db2.gz GMEOZGWRTFWACY-AWEZNQCLSA-N 1 3 285.391 2.501 20 30 CFEDHO C=CCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684118 385659741 /nfs/dbraw/zinc/65/97/41/385659741.db2.gz RHASQRLBJDMPJN-UHFFFAOYSA-N 1 3 259.397 2.950 20 30 CFEDHO C=CCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684118 385659742 /nfs/dbraw/zinc/65/97/42/385659742.db2.gz RHASQRLBJDMPJN-UHFFFAOYSA-N 1 3 259.397 2.950 20 30 CFEDHO CC[N@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC(C)C ZINC000359012078 394120435 /nfs/dbraw/zinc/12/04/35/394120435.db2.gz LDRMDNRQSILBMP-HNNXBMFYSA-N 1 3 293.455 2.753 20 30 CFEDHO CC[N@@H+](CCC1CCN(C(=O)C(C)C#N)CC1)CC(C)C ZINC000359012078 394120436 /nfs/dbraw/zinc/12/04/36/394120436.db2.gz LDRMDNRQSILBMP-HNNXBMFYSA-N 1 3 293.455 2.753 20 30 CFEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421329359 394189538 /nfs/dbraw/zinc/18/95/38/394189538.db2.gz VJLDWPUFVICWAW-CQSZACIVSA-N 1 3 275.371 2.519 20 30 CFEDHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423540908 394293752 /nfs/dbraw/zinc/29/37/52/394293752.db2.gz RBSWGOIJQZOZDD-LBPRGKRZSA-N 1 3 273.355 2.658 20 30 CFEDHO CC#CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155972097 394326559 /nfs/dbraw/zinc/32/65/59/394326559.db2.gz APLRBAQTZOZBCX-IAGOWNOFSA-N 1 3 292.467 2.611 20 30 CFEDHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353431597 163362812 /nfs/dbraw/zinc/36/28/12/163362812.db2.gz ZYYUXFCWFIGWPS-QAPCUYQASA-N 1 3 283.419 2.867 20 30 CFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(CC)CC1 ZINC000657835041 413986051 /nfs/dbraw/zinc/98/60/51/413986051.db2.gz RZOJPDFLYNUMTO-MSOLQXFVSA-N 1 3 293.499 2.739 20 30 CFEDHO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533076 175196316 /nfs/dbraw/zinc/19/63/16/175196316.db2.gz DTPGIKALSFZCLU-OAHLLOKOSA-N 1 3 274.408 2.683 20 30 CFEDHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535004 175199131 /nfs/dbraw/zinc/19/91/31/175199131.db2.gz TZCCZCSSZDAOHU-UKRRQHHQSA-N 1 3 257.381 2.551 20 30 CFEDHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535004 175199133 /nfs/dbraw/zinc/19/91/33/175199133.db2.gz TZCCZCSSZDAOHU-UKRRQHHQSA-N 1 3 257.381 2.551 20 30 CFEDHO C[NH+](C)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000046836840 175399643 /nfs/dbraw/zinc/39/96/43/175399643.db2.gz UODWTABHWSOJIH-UHFFFAOYSA-N 1 3 279.387 2.910 20 30 CFEDHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(OCC#N)cc1 ZINC000037229417 260075871 /nfs/dbraw/zinc/07/58/71/260075871.db2.gz VJNWPLUMPUYCSU-HNNXBMFYSA-N 1 3 287.407 2.725 20 30 CFEDHO N#CCCCC[N@@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371209309 267372238 /nfs/dbraw/zinc/37/22/38/267372238.db2.gz UAGMBFQKDUWTOW-MRXNPFEDSA-N 1 3 263.429 2.878 20 30 CFEDHO N#CCCCC[N@H+]1CCC[C@H](CN2CCCCC2)C1 ZINC000371209309 267372241 /nfs/dbraw/zinc/37/22/41/267372241.db2.gz UAGMBFQKDUWTOW-MRXNPFEDSA-N 1 3 263.429 2.878 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290609461 275387322 /nfs/dbraw/zinc/38/73/22/275387322.db2.gz WJIZBIHEUUDPPR-QZTJIDSGSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290609461 275387325 /nfs/dbraw/zinc/38/73/25/275387325.db2.gz WJIZBIHEUUDPPR-QZTJIDSGSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290609461 275387327 /nfs/dbraw/zinc/38/73/27/275387327.db2.gz WJIZBIHEUUDPPR-QZTJIDSGSA-N 1 3 268.404 2.584 20 30 CFEDHO C#Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290609461 275387330 /nfs/dbraw/zinc/38/73/30/275387330.db2.gz WJIZBIHEUUDPPR-QZTJIDSGSA-N 1 3 268.404 2.584 20 30 CFEDHO CCCC[NH+]1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185799350 329332125 /nfs/dbraw/zinc/33/21/25/329332125.db2.gz PJALTOSXLVZLFF-HOCLYGCPSA-N 1 3 263.429 2.923 20 30 CFEDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000423109217 330170698 /nfs/dbraw/zinc/17/06/98/330170698.db2.gz UNKNXJCZVWKFOI-GRTSSRMGSA-N 1 3 286.423 2.829 20 30 CFEDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000423109218 330170724 /nfs/dbraw/zinc/17/07/24/330170724.db2.gz UNKNXJCZVWKFOI-LRVUVFPRSA-N 1 3 286.423 2.829 20 30 CFEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000424378513 330349089 /nfs/dbraw/zinc/34/90/89/330349089.db2.gz SVZPECNYLJRQTJ-DGADGQDISA-N 1 3 261.413 2.579 20 30 CFEDHO C#C[C@H](CC)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491351901 332195680 /nfs/dbraw/zinc/19/56/80/332195680.db2.gz WKXFNGUDBGUPPD-QGZVFWFLSA-N 1 3 299.462 2.718 20 30 CFEDHO C[C@H]1CN(CCCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174316380 335152538 /nfs/dbraw/zinc/15/25/38/335152538.db2.gz NITVXDZOPFYIJR-HOTGVXAUSA-N 1 3 295.471 2.795 20 30 CFEDHO C[C@@H](C[NH2+]CC(C)(C)CCC#N)CN1CCCC1 ZINC000135152755 334117966 /nfs/dbraw/zinc/11/79/66/334117966.db2.gz LGMVVGOOAZSJEP-AWEZNQCLSA-N 1 3 251.418 2.638 20 30 CFEDHO CC#CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381990514 336079913 /nfs/dbraw/zinc/07/99/13/336079913.db2.gz OYZOTJGHAZQAHK-OALUTQOASA-N 1 3 282.431 2.854 20 30 CFEDHO CC#CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381990514 336079914 /nfs/dbraw/zinc/07/99/14/336079914.db2.gz OYZOTJGHAZQAHK-OALUTQOASA-N 1 3 282.431 2.854 20 30 CFEDHO