smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001568468615 1167532049 /nfs/dbraw/zinc/53/20/49/1167532049.db2.gz LANJZQIDSBOXSM-LSDHHAIUSA-N 1 3 283.460 1.879 20 30 CDEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001566689184 1168389403 /nfs/dbraw/zinc/38/94/03/1168389403.db2.gz IRDDBHMLQLDYMQ-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCOCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127321658 913856692 /nfs/dbraw/zinc/85/66/92/913856692.db2.gz BWRKDYQRHDDMTD-UHFFFAOYSA-N 1 3 297.443 1.159 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114996817 921254549 /nfs/dbraw/zinc/25/45/49/921254549.db2.gz FTMCEHQXSPEPHZ-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114996817 921254552 /nfs/dbraw/zinc/25/45/52/921254552.db2.gz FTMCEHQXSPEPHZ-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088382296 907066590 /nfs/dbraw/zinc/06/65/90/907066590.db2.gz YPMPPLDDUAISCO-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698860 915586779 /nfs/dbraw/zinc/58/67/79/915586779.db2.gz XJJGNOABAMIZFK-INIZCTEOSA-N 1 3 293.455 1.616 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546381 915880811 /nfs/dbraw/zinc/88/08/11/915880811.db2.gz NTCSUTYBYSFSEQ-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617242 915903354 /nfs/dbraw/zinc/90/33/54/915903354.db2.gz BHVSDLRGSOIPCC-IPYPFGDCSA-N 1 3 290.411 1.886 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617243 915904288 /nfs/dbraw/zinc/90/42/88/915904288.db2.gz BHVSDLRGSOIPCC-YDHLFZDLSA-N 1 3 290.411 1.886 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580262 915909892 /nfs/dbraw/zinc/90/98/92/915909892.db2.gz BFSMCGURUPKOKC-MRXNPFEDSA-N 1 3 293.455 1.760 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755248 917341653 /nfs/dbraw/zinc/34/16/53/917341653.db2.gz KWLHCUYTROUAJQ-UKPHBRMFSA-N 1 3 293.455 1.587 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186082940 919861097 /nfs/dbraw/zinc/86/10/97/919861097.db2.gz OYHCXIWVLOKHCQ-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082940 919861108 /nfs/dbraw/zinc/86/11/08/919861108.db2.gz OYHCXIWVLOKHCQ-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186082940 919861124 /nfs/dbraw/zinc/86/11/24/919861124.db2.gz OYHCXIWVLOKHCQ-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098393865 936750503 /nfs/dbraw/zinc/75/05/03/936750503.db2.gz FEVLCCLWTACSHV-YJNKXOJESA-N 1 3 277.412 1.236 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098393865 936750505 /nfs/dbraw/zinc/75/05/05/936750505.db2.gz FEVLCCLWTACSHV-YJNKXOJESA-N 1 3 277.412 1.236 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354492 923025194 /nfs/dbraw/zinc/02/51/94/923025194.db2.gz LZBTYFLZSAHBAK-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354492 923025211 /nfs/dbraw/zinc/02/52/11/923025211.db2.gz LZBTYFLZSAHBAK-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001036191794 923124012 /nfs/dbraw/zinc/12/40/12/923124012.db2.gz HIWDJXJLEXEUOZ-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575107 924962365 /nfs/dbraw/zinc/96/23/65/924962365.db2.gz LSRRSQVXTKCTLT-MCIONIFRSA-N 1 3 267.417 1.195 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687254 925252605 /nfs/dbraw/zinc/25/26/05/925252605.db2.gz LCBPJYZJFSBZFB-INIZCTEOSA-N 1 3 299.434 1.871 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368205 937054130 /nfs/dbraw/zinc/05/41/30/937054130.db2.gz KQTHLHCLTQWBGW-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368205 937054134 /nfs/dbraw/zinc/05/41/34/937054134.db2.gz KQTHLHCLTQWBGW-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103433486 937142238 /nfs/dbraw/zinc/14/22/38/937142238.db2.gz FTDRPAGKSKOLEK-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103433486 937142240 /nfs/dbraw/zinc/14/22/40/937142240.db2.gz FTDRPAGKSKOLEK-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830547 928656205 /nfs/dbraw/zinc/65/62/05/928656205.db2.gz PFVOQAFVWPJISN-XHSDSOJGSA-N 1 3 293.455 1.872 20 30 CDEDHO C#CCCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000129140973 929878529 /nfs/dbraw/zinc/87/85/29/929878529.db2.gz BPJAMWHVQZMSSZ-ZDUSSCGKSA-N 1 3 250.390 1.179 20 30 CDEDHO C=CC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135436856 930203905 /nfs/dbraw/zinc/20/39/05/930203905.db2.gz CPIPSJRRFOYMAY-UHFFFAOYSA-N 1 3 255.406 1.390 20 30 CDEDHO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135746073 930394651 /nfs/dbraw/zinc/39/46/51/930394651.db2.gz CVAGPAHKHJNPNZ-GJZGRUSLSA-N 1 3 299.459 1.404 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036870 930615235 /nfs/dbraw/zinc/61/52/35/930615235.db2.gz ZKEFXBUFJSSRIM-NWDGAFQWSA-N 1 3 278.400 1.710 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312394 937438634 /nfs/dbraw/zinc/43/86/34/937438634.db2.gz HZVSRXWEQFYGOP-CABCVRRESA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312394 937438635 /nfs/dbraw/zinc/43/86/35/937438635.db2.gz HZVSRXWEQFYGOP-CABCVRRESA-N 1 3 281.444 1.872 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593002 932270151 /nfs/dbraw/zinc/27/01/51/932270151.db2.gz LRXDDKZMMOBFFR-STQMWFEESA-N 1 3 289.851 1.952 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121325753 937867255 /nfs/dbraw/zinc/86/72/55/937867255.db2.gz NETNRXHHIFWWTM-UHFFFAOYSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001122065966 937902486 /nfs/dbraw/zinc/90/24/86/937902486.db2.gz IBNVLMZUTSERKK-STQMWFEESA-N 1 3 253.390 1.304 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158616366 938642378 /nfs/dbraw/zinc/64/23/78/938642378.db2.gz PXZQEBVHUNAHOS-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158616366 938642381 /nfs/dbraw/zinc/64/23/81/938642381.db2.gz PXZQEBVHUNAHOS-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO CC[NH+](CC)CCNC(=N)Nc1cc(Cl)ncc1C#N ZINC001163122346 939205782 /nfs/dbraw/zinc/20/57/82/939205782.db2.gz GSRWYNSGFYIKDL-UHFFFAOYSA-N 1 3 294.790 1.885 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)ccc1CC#N ZINC001163128215 939207124 /nfs/dbraw/zinc/20/71/24/939207124.db2.gz FIUJCQLCCXKULN-UHFFFAOYSA-N 1 3 288.399 1.734 20 30 CDEDHO COc1cc(C#N)ccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205239786 939841088 /nfs/dbraw/zinc/84/10/88/939841088.db2.gz FSVFQWUZFXKYMF-MRXNPFEDSA-N 1 3 289.379 1.243 20 30 CDEDHO C[C@H]1CCN(Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001205639233 939910926 /nfs/dbraw/zinc/91/09/26/939910926.db2.gz XTVDMXVEOPLQEO-JSGCOSHPSA-N 1 3 258.369 1.760 20 30 CDEDHO N#Cc1ccc2c(CN3CCCC[C@](O)(C[NH3+])C3)c[nH]c2c1 ZINC001205683010 939917724 /nfs/dbraw/zinc/91/77/24/939917724.db2.gz WEHHRGXFKGSPKC-KRWDZBQOSA-N 1 3 298.390 1.715 20 30 CDEDHO N#Cc1ccc2c(C[N@H+]3CCCC[C@](O)(CN)C3)c[nH]c2c1 ZINC001205683010 939917726 /nfs/dbraw/zinc/91/77/26/939917726.db2.gz WEHHRGXFKGSPKC-KRWDZBQOSA-N 1 3 298.390 1.715 20 30 CDEDHO N#Cc1ccc2c(C[N@@H+]3CCCC[C@](O)(CN)C3)c[nH]c2c1 ZINC001205683010 939917729 /nfs/dbraw/zinc/91/77/29/939917729.db2.gz WEHHRGXFKGSPKC-KRWDZBQOSA-N 1 3 298.390 1.715 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660373 940624906 /nfs/dbraw/zinc/62/49/06/940624906.db2.gz QHZPMSUWQDNBBW-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837306 940645942 /nfs/dbraw/zinc/64/59/42/940645942.db2.gz PIAKONKJEXDAKZ-CYBMUJFWSA-N 1 3 276.384 1.499 20 30 CDEDHO C=C[C@@H]1C[C@]1(N)C(=O)NC(C[NH3+])(CCC)CCC ZINC001221371645 941523629 /nfs/dbraw/zinc/52/36/29/941523629.db2.gz GLDYUMRCUAIJRG-BXUZGUMPSA-N 1 3 253.390 1.304 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229877748 942547143 /nfs/dbraw/zinc/54/71/43/942547143.db2.gz ZOGIHOXBQMYBHK-HUUCEWRRSA-N 1 3 279.428 1.369 20 30 CDEDHO CCCCCCCC[C@@H](O)CN1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246036900 947912782 /nfs/dbraw/zinc/91/27/82/947912782.db2.gz ZTDXLYZJYFZTBL-APIJFGDWSA-N 1 3 254.418 1.987 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+]C1CCN(C(C)C)CC1 ZINC001257205297 948543486 /nfs/dbraw/zinc/54/34/86/948543486.db2.gz IVYKEIBRNDIAHT-UHFFFAOYSA-N 1 3 254.374 1.568 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001318978646 958326978 /nfs/dbraw/zinc/32/69/78/958326978.db2.gz GNTPRTAEGBOVQY-RBSFLKMASA-N 1 3 281.444 1.776 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322680558 960296209 /nfs/dbraw/zinc/29/62/09/960296209.db2.gz KXFQCLHYJNCTAF-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001354319514 968639418 /nfs/dbraw/zinc/63/94/18/968639418.db2.gz UFIFVTGTHHVDRN-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC001354319514 968639426 /nfs/dbraw/zinc/63/94/26/968639426.db2.gz UFIFVTGTHHVDRN-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274442 1163623028 /nfs/dbraw/zinc/62/30/28/1163623028.db2.gz IDXHETBSKKVWHU-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001677423946 1174359122 /nfs/dbraw/zinc/35/91/22/1174359122.db2.gz UEAQDLRXMQVWTB-YMAMQOFZSA-N 1 3 281.444 1.728 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001574852046 1171027006 /nfs/dbraw/zinc/02/70/06/1171027006.db2.gz OCCJWZYRQBDRNT-NEPJUHHUSA-N 1 3 273.808 1.399 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC001574852046 1171027014 /nfs/dbraw/zinc/02/70/14/1171027014.db2.gz OCCJWZYRQBDRNT-NEPJUHHUSA-N 1 3 273.808 1.399 20 30 CDEDHO C[C@@H](CCC#N)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000590592858 342578583 /nfs/dbraw/zinc/57/85/83/342578583.db2.gz AKXNAEGINQSNNW-AWEZNQCLSA-N 1 3 267.417 1.705 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442769382 362088505 /nfs/dbraw/zinc/08/85/05/362088505.db2.gz QEVGKGKMMOFZPO-KURKYZTESA-N 1 3 299.418 1.905 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442769382 362088510 /nfs/dbraw/zinc/08/85/10/362088510.db2.gz QEVGKGKMMOFZPO-KURKYZTESA-N 1 3 299.418 1.905 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)[NH2+]C)C(C)C ZINC000582132577 357216741 /nfs/dbraw/zinc/21/67/41/357216741.db2.gz QQZOBGIEXAKKAY-UONOGXRCSA-N 1 3 267.417 1.409 20 30 CDEDHO CC[NH+]1CCC(N2CCCN(CC#CCOC)CC2)CC1 ZINC000643255222 359246378 /nfs/dbraw/zinc/24/63/78/359246378.db2.gz GUGLXMUCXQPFLU-UHFFFAOYSA-N 1 3 293.455 1.128 20 30 CDEDHO CC(C)[NH+]1CCC(O)(CNCc2cccc(C#N)c2)CC1 ZINC000268429247 364773463 /nfs/dbraw/zinc/77/34/63/364773463.db2.gz OMVUEFACFWURKH-UHFFFAOYSA-N 1 3 287.407 1.883 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000302946735 367025963 /nfs/dbraw/zinc/02/59/63/367025963.db2.gz CTRQIGMCTMPKOV-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000417543435 377929447 /nfs/dbraw/zinc/92/94/47/377929447.db2.gz UQCYMVWNHDVIJZ-CQSZACIVSA-N 1 3 280.416 1.030 20 30 CDEDHO C=C(C)C[N@H+](CCC)CCN1CCN(CC)CC1 ZINC000344122873 379179974 /nfs/dbraw/zinc/17/99/74/379179974.db2.gz FMSYJZPMYBBHDJ-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO C=C(C)C[N@@H+](CCC)CCN1CCN(CC)CC1 ZINC000344122873 379179982 /nfs/dbraw/zinc/17/99/82/379179982.db2.gz FMSYJZPMYBBHDJ-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350953516 391014076 /nfs/dbraw/zinc/01/40/76/391014076.db2.gz WKPUKEQXFPFKMH-OAHLLOKOSA-N 1 3 293.455 1.849 20 30 CDEDHO C=CCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000339059535 391248645 /nfs/dbraw/zinc/24/86/45/391248645.db2.gz LRCVJRJTCPPLCN-CVEARBPZSA-N 1 3 281.444 1.147 20 30 CDEDHO C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062194 391248651 /nfs/dbraw/zinc/24/86/51/391248651.db2.gz ZJHQDEGYGNTEJI-VYDXJSESSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@@H+]1C1CCN(C)CC1 ZINC000339062194 391248653 /nfs/dbraw/zinc/24/86/53/391248653.db2.gz ZJHQDEGYGNTEJI-VYDXJSESSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1C1CCN(C)CC1 ZINC000339062194 391248655 /nfs/dbraw/zinc/24/86/55/391248655.db2.gz ZJHQDEGYGNTEJI-VYDXJSESSA-N 1 3 290.455 1.779 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCC1C[NH2+]C1)C(C)C ZINC000417065866 391341966 /nfs/dbraw/zinc/34/19/66/391341966.db2.gz QDSCQMXZKKEPPV-HNNXBMFYSA-N 1 3 294.443 1.204 20 30 CDEDHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1C#N ZINC000291817831 533670258 /nfs/dbraw/zinc/67/02/58/533670258.db2.gz YYZKZZFHGUHVLJ-LBPRGKRZSA-N 1 3 261.369 1.854 20 30 CDEDHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423199548 397602383 /nfs/dbraw/zinc/60/23/83/397602383.db2.gz BYNFMCNJDGHMSQ-GFCCVEGCSA-N 1 3 276.359 1.253 20 30 CDEDHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000448422559 261149819 /nfs/dbraw/zinc/14/98/19/261149819.db2.gz YFBJIQFOIZNCAY-OLZOCXBDSA-N 1 3 251.374 1.630 20 30 CDEDHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000448422559 261149820 /nfs/dbraw/zinc/14/98/20/261149820.db2.gz YFBJIQFOIZNCAY-OLZOCXBDSA-N 1 3 251.374 1.630 20 30 CDEDHO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759129 263039747 /nfs/dbraw/zinc/03/97/47/263039747.db2.gz NUZQGEHWVZRQGK-UONOGXRCSA-N 1 3 265.401 1.224 20 30 CDEDHO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759129 263039748 /nfs/dbraw/zinc/03/97/48/263039748.db2.gz NUZQGEHWVZRQGK-UONOGXRCSA-N 1 3 265.401 1.224 20 30 CDEDHO CNC(NC[C@@H]1CN(Cc2ccccc2)CCCO1)=[NH+]C ZINC000190527636 264393092 /nfs/dbraw/zinc/39/30/92/264393092.db2.gz PZJULLVSJDIGFI-OAHLLOKOSA-N 1 3 290.411 1.072 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000171740633 329079668 /nfs/dbraw/zinc/07/96/68/329079668.db2.gz AYDXHUODPHNMJK-HNNXBMFYSA-N 1 3 294.443 1.372 20 30 CDEDHO CC(C)(C)NC(=[NH2+])NCC1(N2CCCC2)CCOCC1 ZINC000262550720 330020797 /nfs/dbraw/zinc/02/07/97/330020797.db2.gz YEOOKJDPOBRBSX-UHFFFAOYSA-N 1 3 282.432 1.334 20 30 CDEDHO CN1CC[NH+]=C1NC[C@H]1CCCN1C1CCCCC1 ZINC000262667504 330025505 /nfs/dbraw/zinc/02/55/05/330025505.db2.gz PJRHPOAMPVWKEE-CQSZACIVSA-N 1 3 264.417 1.675 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)C[NH+]1CCCCC1 ZINC000424126451 330258890 /nfs/dbraw/zinc/25/88/90/330258890.db2.gz BTFRJHWZROWLET-ZIAGYGMSSA-N 1 3 280.416 1.246 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424139484 330279143 /nfs/dbraw/zinc/27/91/43/330279143.db2.gz ANMCRVVQCOVBKQ-UONOGXRCSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424139484 330279145 /nfs/dbraw/zinc/27/91/45/330279145.db2.gz ANMCRVVQCOVBKQ-UONOGXRCSA-N 1 3 280.416 1.244 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000490590347 332093878 /nfs/dbraw/zinc/09/38/78/332093878.db2.gz QSROJDROBFIOKB-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000490590347 332093880 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C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)CC1(C)C ZINC000996674754 677946887 /nfs/dbraw/zinc/94/68/87/677946887.db2.gz WFHBSUVSKWMTDL-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736431 678179022 /nfs/dbraw/zinc/17/90/22/678179022.db2.gz ZTJQFFSYNBSOFP-CABCVRRESA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736431 678179024 /nfs/dbraw/zinc/17/90/24/678179024.db2.gz ZTJQFFSYNBSOFP-CABCVRRESA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996310748 677744041 /nfs/dbraw/zinc/74/40/41/677744041.db2.gz PKKHRRYOJYEUJX-AWEZNQCLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580218 677745774 /nfs/dbraw/zinc/74/57/74/677745774.db2.gz SNQDWUVVHFBZFV-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580218 677745778 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C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000997363632 678819195 /nfs/dbraw/zinc/81/91/95/678819195.db2.gz HZSCWJJTVCAJIQ-OAHLLOKOSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072953012 678833784 /nfs/dbraw/zinc/83/37/84/678833784.db2.gz JHSKWDAJCPAPKQ-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072953012 678833785 /nfs/dbraw/zinc/83/37/85/678833785.db2.gz JHSKWDAJCPAPKQ-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657999 679042833 /nfs/dbraw/zinc/04/28/33/679042833.db2.gz CIZNUSSACWETMD-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052657999 679042834 /nfs/dbraw/zinc/04/28/34/679042834.db2.gz CIZNUSSACWETMD-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994405943 679084646 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C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001026148369 679162619 /nfs/dbraw/zinc/16/26/19/679162619.db2.gz CJBBUOASERWUTF-LFPSSSAGSA-N 1 3 291.439 1.482 20 30 CDEDHO C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072955424 679373896 /nfs/dbraw/zinc/37/38/96/679373896.db2.gz KAOAMXSGEYOMAY-OAHLLOKOSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072955424 679373900 /nfs/dbraw/zinc/37/39/00/679373900.db2.gz KAOAMXSGEYOMAY-OAHLLOKOSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712925 679429495 /nfs/dbraw/zinc/42/94/95/679429495.db2.gz PVSZHVDCUMXBRP-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712925 679429497 /nfs/dbraw/zinc/42/94/97/679429497.db2.gz PVSZHVDCUMXBRP-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCN1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817174 679436849 /nfs/dbraw/zinc/43/68/49/679436849.db2.gz SFVVPHPCISFWRT-UHFFFAOYSA-N 1 3 270.336 1.182 20 30 CDEDHO C=CC[NH+]1CC(CNC(=O)c2ccn3cncc3c2)C1 ZINC001031817174 679436851 /nfs/dbraw/zinc/43/68/51/679436851.db2.gz SFVVPHPCISFWRT-UHFFFAOYSA-N 1 3 270.336 1.182 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133820099 1163908699 /nfs/dbraw/zinc/90/86/99/1163908699.db2.gz YKRSGWRCOLZXDJ-KBPBESRZSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001724956091 1181808311 /nfs/dbraw/zinc/80/83/11/1181808311.db2.gz GBWKARWKOLDPON-CQSZACIVSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001732558082 1183007905 /nfs/dbraw/zinc/00/79/05/1183007905.db2.gz NYLNSNJTWJHTIT-ZIAGYGMSSA-N 1 3 269.433 1.633 20 30 CDEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752516873 1184875600 /nfs/dbraw/zinc/87/56/00/1184875600.db2.gz IVAOJQQSPNTLQE-AWEZNQCLSA-N 1 3 290.411 1.699 20 30 CDEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752516873 1184875606 /nfs/dbraw/zinc/87/56/06/1184875606.db2.gz IVAOJQQSPNTLQE-AWEZNQCLSA-N 1 3 290.411 1.699 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001752998153 1184987357 /nfs/dbraw/zinc/98/73/57/1184987357.db2.gz ZXJUASBHTDLRCD-OAHLLOKOSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001752998153 1184987362 /nfs/dbraw/zinc/98/73/62/1184987362.db2.gz ZXJUASBHTDLRCD-OAHLLOKOSA-N 1 3 279.428 1.274 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130580 1185077639 /nfs/dbraw/zinc/07/76/39/1185077639.db2.gz FQIAAAQTDWSWGK-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130580 1185077645 /nfs/dbraw/zinc/07/76/45/1185077645.db2.gz FQIAAAQTDWSWGK-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001753156590 1185090493 /nfs/dbraw/zinc/09/04/93/1185090493.db2.gz XCALWBIJWDIKFR-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001753156590 1185090497 /nfs/dbraw/zinc/09/04/97/1185090497.db2.gz XCALWBIJWDIKFR-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001755301741 1185901583 /nfs/dbraw/zinc/90/15/83/1185901583.db2.gz RLIMEMDRIJRVNM-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001755301741 1185901589 /nfs/dbraw/zinc/90/15/89/1185901589.db2.gz RLIMEMDRIJRVNM-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772374 1164102159 /nfs/dbraw/zinc/10/21/59/1164102159.db2.gz COXNGOYDEBEMNW-OLZOCXBDSA-N 1 3 269.433 1.776 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772376 1164102172 /nfs/dbraw/zinc/10/21/72/1164102172.db2.gz COXNGOYDEBEMNW-STQMWFEESA-N 1 3 269.433 1.776 20 30 CDEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351347 913977218 /nfs/dbraw/zinc/97/72/18/913977218.db2.gz VBHYDEBJJRMWCV-CHWSQXEVSA-N 1 3 299.846 1.708 20 30 CDEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531254 901013679 /nfs/dbraw/zinc/01/36/79/901013679.db2.gz OBYXPBKUCUOZEJ-ZOBUZTSGSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001482065142 902583281 /nfs/dbraw/zinc/58/32/81/902583281.db2.gz LFMFASLCPXYAJR-OLZOCXBDSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001088334618 906946576 /nfs/dbraw/zinc/94/65/76/906946576.db2.gz MHMUBMYOWZKIEZ-LSDHHAIUSA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001120456128 911951453 /nfs/dbraw/zinc/95/14/53/911951453.db2.gz PJYRPGVLWHJTHX-AGIUHOORSA-N 1 3 253.390 1.304 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182607697 918009094 /nfs/dbraw/zinc/00/90/94/918009094.db2.gz JVYCMVIPGXEJJW-HLLBOEOZSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001485831579 919485403 /nfs/dbraw/zinc/48/54/03/919485403.db2.gz DQZIWHOHGKTLSQ-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035598 936710361 /nfs/dbraw/zinc/71/03/61/936710361.db2.gz DACWOMRWPMXMPX-LSDHHAIUSA-N 1 3 291.439 1.674 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490958334 936835312 /nfs/dbraw/zinc/83/53/12/936835312.db2.gz VNXCLAVKDQVBOK-HDJSIYSDSA-N 1 3 299.846 1.852 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048849 937039546 /nfs/dbraw/zinc/03/95/46/937039546.db2.gz RALJLNRNNALGDR-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048849 937039549 /nfs/dbraw/zinc/03/95/49/937039549.db2.gz RALJLNRNNALGDR-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370008 937054298 /nfs/dbraw/zinc/05/42/98/937054298.db2.gz NVQBXJGBBUZGGJ-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370008 937054301 /nfs/dbraw/zinc/05/43/01/937054301.db2.gz NVQBXJGBBUZGGJ-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201065902 926188638 /nfs/dbraw/zinc/18/86/38/926188638.db2.gz BOKARGJCSUBGSP-UHFFFAOYSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605799 926201512 /nfs/dbraw/zinc/20/15/12/926201512.db2.gz UANIQIHRISEFBR-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085605799 926201521 /nfs/dbraw/zinc/20/15/21/926201521.db2.gz UANIQIHRISEFBR-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202166546 926485111 /nfs/dbraw/zinc/48/51/11/926485111.db2.gz WFGLIEYERPISSF-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476988 930226726 /nfs/dbraw/zinc/22/67/26/930226726.db2.gz PHFKWIWJEWVLLF-GJZGRUSLSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823959 937474192 /nfs/dbraw/zinc/47/41/92/937474192.db2.gz FXDWWLIBISDWFA-OCCSQVGLSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823959 937474193 /nfs/dbraw/zinc/47/41/93/937474193.db2.gz FXDWWLIBISDWFA-OCCSQVGLSA-N 1 3 267.417 1.339 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171254343 932142774 /nfs/dbraw/zinc/14/27/74/932142774.db2.gz RDBNXVBSOWESLU-UKRRQHHQSA-N 1 3 279.428 1.224 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591894 932268460 /nfs/dbraw/zinc/26/84/60/932268460.db2.gz HZYXBFIOIYJYRL-ZIAGYGMSSA-N 1 3 269.433 1.776 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226067 937651296 /nfs/dbraw/zinc/65/12/96/937651296.db2.gz GKWWVECCTSFNHT-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226067 937651299 /nfs/dbraw/zinc/65/12/99/937651299.db2.gz GKWWVECCTSFNHT-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO CN(C)CC#CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001120492511 937803276 /nfs/dbraw/zinc/80/32/76/937803276.db2.gz MQZGIEQGCMKMPL-HNNXBMFYSA-N 1 3 280.799 1.398 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001037854553 935302223 /nfs/dbraw/zinc/30/22/23/935302223.db2.gz QQMAZJSXXTWKQW-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001121916486 937890027 /nfs/dbraw/zinc/89/00/27/937890027.db2.gz AHCQRRZQCXKFRY-KBPBESRZSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001121922532 937890544 /nfs/dbraw/zinc/89/05/44/937890544.db2.gz LEQXOBBZVLUXOD-HUUCEWRRSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001121922533 937890653 /nfs/dbraw/zinc/89/06/53/937890653.db2.gz LEQXOBBZVLUXOD-LSDHHAIUSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC001121938088 937892671 /nfs/dbraw/zinc/89/26/71/937892671.db2.gz RLEGJMIHTJABFB-AVGNSLFASA-N 1 3 253.390 1.256 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001122021001 937899806 /nfs/dbraw/zinc/89/98/06/937899806.db2.gz KEMJTWAYFUIDPG-IHRRRGAJSA-N 1 3 287.423 1.881 20 30 CDEDHO C=C1C[NH2+][C@](C)(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)C1 ZINC001158336126 938610494 /nfs/dbraw/zinc/61/04/94/938610494.db2.gz JBGDALQQCILGPD-JZXOWHBKSA-N 1 3 297.402 1.392 20 30 CDEDHO C[NH+](C)CCC(=O)NCCCNCc1ccccc1C#N ZINC001165794428 939577984 /nfs/dbraw/zinc/57/79/84/939577984.db2.gz VSKSCLZLPLFUCM-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627066 939620668 /nfs/dbraw/zinc/62/06/68/939620668.db2.gz PAPZTTMCEBMSKJ-CYBMUJFWSA-N 1 3 253.390 1.143 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203519651 939691044 /nfs/dbraw/zinc/69/10/44/939691044.db2.gz BERQQRXKLQEDMU-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331687 940320450 /nfs/dbraw/zinc/32/04/50/940320450.db2.gz VSYWDXQSXVGVLN-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001209266450 940454985 /nfs/dbraw/zinc/45/49/85/940454985.db2.gz PLOKWZVGJPTIRP-MRXNPFEDSA-N 1 3 264.413 1.975 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210227690 940673376 /nfs/dbraw/zinc/67/33/76/940673376.db2.gz DEFMKIGOJBCDQG-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210315474 940682419 /nfs/dbraw/zinc/68/24/19/940682419.db2.gz NYXXJDYXSBXWCV-GDBMZVCRSA-N 1 3 280.412 1.960 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268899 940744373 /nfs/dbraw/zinc/74/43/73/940744373.db2.gz LPBFAKKSJMPDAA-AWEZNQCLSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855724 940841378 /nfs/dbraw/zinc/84/13/78/940841378.db2.gz MAAYUNCDIYLZIT-FVQBIDKESA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCN1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001225557627 941879388 /nfs/dbraw/zinc/87/93/88/941879388.db2.gz PUPZDGUFRBPSDB-UHFFFAOYSA-N 1 3 291.439 1.324 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001261456232 946124896 /nfs/dbraw/zinc/12/48/96/946124896.db2.gz QVYTZFHULGXKSN-CYBMUJFWSA-N 1 3 258.325 1.249 20 30 CDEDHO C=CCCCCCC[C@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246017206 947893467 /nfs/dbraw/zinc/89/34/67/947893467.db2.gz XJKPIFRFCYXVNS-CABCVRRESA-N 1 3 269.433 1.025 20 30 CDEDHO C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251848247 950867911 /nfs/dbraw/zinc/86/79/11/950867911.db2.gz XBBPBUWLQPRJBN-IAGOWNOFSA-N 1 3 294.439 1.338 20 30 CDEDHO C#CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251848247 950867922 /nfs/dbraw/zinc/86/79/22/950867922.db2.gz XBBPBUWLQPRJBN-IAGOWNOFSA-N 1 3 294.439 1.338 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322680557 960295671 /nfs/dbraw/zinc/29/56/71/960295671.db2.gz KXFQCLHYJNCTAF-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C[C@H](C[NH3+])Cc1cnn(C)c1C)CC1CC1 ZINC001574667384 1170997819 /nfs/dbraw/zinc/99/78/19/1170997819.db2.gz QPQAIYWGSOJVDV-HNNXBMFYSA-N 1 3 274.412 1.191 20 30 CDEDHO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440248 342907097 /nfs/dbraw/zinc/90/70/97/342907097.db2.gz AXEQVHNMGZJZNA-ZIAGYGMSSA-N 1 3 280.416 1.246 20 30 CDEDHO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440248 342907098 /nfs/dbraw/zinc/90/70/98/342907098.db2.gz AXEQVHNMGZJZNA-ZIAGYGMSSA-N 1 3 280.416 1.246 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687343 342371966 /nfs/dbraw/zinc/37/19/66/342371966.db2.gz NWDSERFFVFRZFS-GOEBONIOSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081687343 342371967 /nfs/dbraw/zinc/37/19/67/342371967.db2.gz NWDSERFFVFRZFS-GOEBONIOSA-N 1 3 291.439 1.627 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598195944 343727862 /nfs/dbraw/zinc/72/78/62/343727862.db2.gz XGROAZABEWEJMU-HOCLYGCPSA-N 1 3 285.391 1.921 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195944 343727864 /nfs/dbraw/zinc/72/78/64/343727864.db2.gz XGROAZABEWEJMU-HOCLYGCPSA-N 1 3 285.391 1.921 20 30 CDEDHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000365407086 344976455 /nfs/dbraw/zinc/97/64/55/344976455.db2.gz YWBDIMRUGSBIMX-AWEZNQCLSA-N 1 3 280.416 1.165 20 30 CDEDHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000365407086 344976459 /nfs/dbraw/zinc/97/64/59/344976459.db2.gz YWBDIMRUGSBIMX-AWEZNQCLSA-N 1 3 280.416 1.165 20 30 CDEDHO C=CCNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264081728 362960544 /nfs/dbraw/zinc/96/05/44/362960544.db2.gz ITFALFWZPUJYOT-UHFFFAOYSA-N 1 3 276.384 1.217 20 30 CDEDHO CCNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264137496 362976688 /nfs/dbraw/zinc/97/66/88/362976688.db2.gz VOZFPMCBSQRHMO-UHFFFAOYSA-N 1 3 264.373 1.051 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000165196149 363626153 /nfs/dbraw/zinc/62/61/53/363626153.db2.gz XIFYKZXVABRZTG-JKSUJKDBSA-N 1 3 293.455 1.801 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448451521 360727976 /nfs/dbraw/zinc/72/79/76/360727976.db2.gz YTUXTVJQHDCVCV-DYEKYZERSA-N 1 3 261.369 1.621 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448451521 360727980 /nfs/dbraw/zinc/72/79/80/360727980.db2.gz YTUXTVJQHDCVCV-DYEKYZERSA-N 1 3 261.369 1.621 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000629959088 364259876 /nfs/dbraw/zinc/25/98/76/364259876.db2.gz VVTGBANLDZCTFX-UHFFFAOYSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000567030631 370861963 /nfs/dbraw/zinc/86/19/63/370861963.db2.gz LSIAEANBXKZGQI-UHFFFAOYSA-N 1 3 292.427 1.246 20 30 CDEDHO C=CCCN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000276439074 193332043 /nfs/dbraw/zinc/33/20/43/193332043.db2.gz OLOHCPMIIWOVHC-INIZCTEOSA-N 1 3 289.423 1.913 20 30 CDEDHO Cc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1C#N ZINC000331307200 374928906 /nfs/dbraw/zinc/92/89/06/374928906.db2.gz XIPIKWUEXDAVAI-UHFFFAOYSA-N 1 3 273.380 1.413 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000417536696 377901078 /nfs/dbraw/zinc/90/10/78/377901078.db2.gz KMKBRYXMDNLLMS-GFCCVEGCSA-N 1 3 268.405 1.063 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097240 378184635 /nfs/dbraw/zinc/18/46/35/378184635.db2.gz WHGGREOOTNEVHQ-RRFJBIMHSA-N 1 3 281.444 1.785 20 30 CDEDHO C#Cc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000289324465 197297779 /nfs/dbraw/zinc/29/77/79/197297779.db2.gz UERHMKPQUSZKIN-UHFFFAOYSA-N 1 3 285.435 1.784 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664019928 413024909 /nfs/dbraw/zinc/02/49/09/413024909.db2.gz OHMWPPAYRFLQSI-ZDUSSCGKSA-N 1 3 282.432 1.276 20 30 CDEDHO C=CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363676092 390458741 /nfs/dbraw/zinc/45/87/41/390458741.db2.gz ZUIFKSDMXIZCQD-ZIAGYGMSSA-N 1 3 252.402 1.994 20 30 CDEDHO C[NH+]1CCC(C)(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000566973854 391447172 /nfs/dbraw/zinc/44/71/72/391447172.db2.gz JEHXKMDZBHBTCG-UHFFFAOYSA-N 1 3 298.394 1.422 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000344146333 391896926 /nfs/dbraw/zinc/89/69/26/391896926.db2.gz YMXFTOXFKVHQEC-MRVWCRGKSA-N 1 3 279.384 1.030 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCc2ccc(OCCN(C)C)cc2)N1 ZINC000262476876 262774181 /nfs/dbraw/zinc/77/41/81/262774181.db2.gz CFKRPVUVPNVOHR-GFCCVEGCSA-N 1 3 276.384 1.064 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)cc1C ZINC000263050482 330040846 /nfs/dbraw/zinc/04/08/46/330040846.db2.gz DKMDSIXDODAIRT-HNNXBMFYSA-N 1 3 289.427 1.587 20 30 CDEDHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424142987 330286756 /nfs/dbraw/zinc/28/67/56/330286756.db2.gz JFTPRDQOJSAFAS-KBPBESRZSA-N 1 3 280.416 1.198 20 30 CDEDHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424142987 330286757 /nfs/dbraw/zinc/28/67/57/330286757.db2.gz JFTPRDQOJSAFAS-KBPBESRZSA-N 1 3 280.416 1.198 20 30 CDEDHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424191270 330323498 /nfs/dbraw/zinc/32/34/98/330323498.db2.gz HCEDZXGDKHBGCJ-UONOGXRCSA-N 1 3 292.427 1.244 20 30 CDEDHO C#CCNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000491203802 332165619 /nfs/dbraw/zinc/16/56/19/332165619.db2.gz ZJHJOZJIMFPWSV-UHFFFAOYSA-N 1 3 291.439 1.324 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669464957 483173190 /nfs/dbraw/zinc/17/31/90/483173190.db2.gz QVGWEUUAPWTSAN-AWEZNQCLSA-N 1 3 294.443 1.468 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086364450 1161973933 /nfs/dbraw/zinc/97/39/33/1161973933.db2.gz FXBUIVHSQPMDFH-KKUMJFAQSA-N 1 3 279.428 1.530 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC000969791532 613485712 /nfs/dbraw/zinc/48/57/12/613485712.db2.gz FPXQNJSJIZBDMA-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962759548 613842833 /nfs/dbraw/zinc/84/28/33/613842833.db2.gz BZIISVFXKOGPRR-FVQHAEBGSA-N 1 3 299.418 1.594 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962759548 613842836 /nfs/dbraw/zinc/84/28/36/613842836.db2.gz BZIISVFXKOGPRR-FVQHAEBGSA-N 1 3 299.418 1.594 20 30 CDEDHO C[C@H](CC(C)(C)C#N)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000924967047 618482741 /nfs/dbraw/zinc/48/27/41/618482741.db2.gz WAJITRRFYWPBDK-KGLIPLIRSA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@H](CC(C)(C)C#N)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000924967047 618482745 /nfs/dbraw/zinc/48/27/45/618482745.db2.gz WAJITRRFYWPBDK-KGLIPLIRSA-N 1 3 294.443 1.492 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000911685950 629416001 /nfs/dbraw/zinc/41/60/01/629416001.db2.gz WRUOKBKKEOGAOB-AVGNSLFASA-N 1 3 253.390 1.398 20 30 CDEDHO C=CCN1CC[C@@H](N(C)CC2CC[NH+](C)CC2)C1=O ZINC000799122068 682390104 /nfs/dbraw/zinc/39/01/04/682390104.db2.gz NGVGXGYDUTZKEH-CQSZACIVSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852410479 684050829 /nfs/dbraw/zinc/05/08/29/684050829.db2.gz MRCLRDMBNUKTDR-CABCVRRESA-N 1 3 252.402 1.731 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027883900 679731450 /nfs/dbraw/zinc/73/14/50/679731450.db2.gz DSYXBRFEGDREOP-HOTGVXAUSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000876751727 679762191 /nfs/dbraw/zinc/76/21/91/679762191.db2.gz WMTSPJKHPOYGIM-VXGBXAGGSA-N 1 3 273.808 1.447 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000876751727 679762192 /nfs/dbraw/zinc/76/21/92/679762192.db2.gz WMTSPJKHPOYGIM-VXGBXAGGSA-N 1 3 273.808 1.447 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046332963 679774683 /nfs/dbraw/zinc/77/46/83/679774683.db2.gz UCDLISIXCOIHKS-UMVBOHGHSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046332963 679774685 /nfs/dbraw/zinc/77/46/85/679774685.db2.gz UCDLISIXCOIHKS-UMVBOHGHSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000855489601 679842955 /nfs/dbraw/zinc/84/29/55/679842955.db2.gz AXGYOSITOLLUIZ-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000855489601 679842957 /nfs/dbraw/zinc/84/29/57/679842957.db2.gz AXGYOSITOLLUIZ-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001072991577 681779096 /nfs/dbraw/zinc/77/90/96/681779096.db2.gz XREDANGCDVDKJF-ZDUSSCGKSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001072991577 681779099 /nfs/dbraw/zinc/77/90/99/681779099.db2.gz XREDANGCDVDKJF-ZDUSSCGKSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027583058 681797237 /nfs/dbraw/zinc/79/72/37/681797237.db2.gz RXVRRSBEBPVIME-KBPBESRZSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027583058 681797243 /nfs/dbraw/zinc/79/72/43/681797243.db2.gz RXVRRSBEBPVIME-KBPBESRZSA-N 1 3 267.417 1.435 20 30 CDEDHO CC(C)(CNC(=[NH2+])N1CCSCC1)N1CCCCC1 ZINC000104155087 681820948 /nfs/dbraw/zinc/82/09/48/681820948.db2.gz KXOJZMSRZRBEDC-UHFFFAOYSA-N 1 3 284.473 1.614 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC)[C@H]2C)CC1 ZINC000994500948 682055194 /nfs/dbraw/zinc/05/51/94/682055194.db2.gz RVLPBQQPJZEQDG-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC)[C@H]2C)CC1 ZINC000994500948 682055200 /nfs/dbraw/zinc/05/52/00/682055200.db2.gz RVLPBQQPJZEQDG-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795971 682075155 /nfs/dbraw/zinc/07/51/55/682075155.db2.gz FLYCOTRUDVATRY-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979935 682837211 /nfs/dbraw/zinc/83/72/11/682837211.db2.gz RJPDAIZJUCVMRH-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979935 682837208 /nfs/dbraw/zinc/83/72/08/682837208.db2.gz RJPDAIZJUCVMRH-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242538 683068574 /nfs/dbraw/zinc/06/85/74/683068574.db2.gz IVPGWYQYCBZFSR-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242538 683068579 /nfs/dbraw/zinc/06/85/79/683068579.db2.gz IVPGWYQYCBZFSR-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CC1 ZINC000305187366 683141016 /nfs/dbraw/zinc/14/10/16/683141016.db2.gz XMSTXEZQLMZHTC-ZDUSSCGKSA-N 1 3 282.432 1.192 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759510 683203523 /nfs/dbraw/zinc/20/35/23/683203523.db2.gz VYHGCZHPSAWKBQ-HZPDHXFCSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028759510 683203534 /nfs/dbraw/zinc/20/35/34/683203534.db2.gz VYHGCZHPSAWKBQ-HZPDHXFCSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015859020 683582647 /nfs/dbraw/zinc/58/26/47/683582647.db2.gz ZTBNWMOYOMNZKV-KRWDZBQOSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CCN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993930492 684008757 /nfs/dbraw/zinc/00/87/57/684008757.db2.gz QHWGHXQSWFYFPX-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812260 684022370 /nfs/dbraw/zinc/02/23/70/684022370.db2.gz YLGXFODCOFOOOY-UHFFFAOYSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072812260 684022372 /nfs/dbraw/zinc/02/23/72/684022372.db2.gz YLGXFODCOFOOOY-UHFFFAOYSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964487 1161920067 /nfs/dbraw/zinc/92/00/67/1161920067.db2.gz BAURFNHYCYPTGG-PMPSAXMXSA-N 1 3 291.439 1.129 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCC)CC1 ZINC001752121944 1184821834 /nfs/dbraw/zinc/82/18/34/1184821834.db2.gz OAVRDMKOAQUYQT-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCC)CC1 ZINC001752121944 1184821838 /nfs/dbraw/zinc/82/18/38/1184821838.db2.gz OAVRDMKOAQUYQT-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)C[N@H+](CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001752188496 1184825750 /nfs/dbraw/zinc/82/57/50/1184825750.db2.gz BZJQDXJJSPJQHU-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)C[N@@H+](CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001752188496 1184825767 /nfs/dbraw/zinc/82/57/67/1184825767.db2.gz BZJQDXJJSPJQHU-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753447976 1185212827 /nfs/dbraw/zinc/21/28/27/1185212827.db2.gz KSBJUHVFVAOMTD-HNNXBMFYSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001753587980 1185259404 /nfs/dbraw/zinc/25/94/04/1185259404.db2.gz UYOKTPLCDVGPCZ-SHTZXODSSA-N 1 3 279.428 1.367 20 30 CDEDHO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001753712609 1185313209 /nfs/dbraw/zinc/31/32/09/1185313209.db2.gz OCPREOXOHVQFJC-AWEZNQCLSA-N 1 3 283.460 1.977 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001755123575 1185824230 /nfs/dbraw/zinc/82/42/30/1185824230.db2.gz RAQIXSRTQKWVIC-UONOGXRCSA-N 1 3 267.417 1.341 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001755267502 1185883853 /nfs/dbraw/zinc/88/38/53/1185883853.db2.gz BLOJJVRLXPVWEU-KGLIPLIRSA-N 1 3 269.433 1.776 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)CN(CC)CC ZINC001114353807 1164501320 /nfs/dbraw/zinc/50/13/20/1164501320.db2.gz ZOZZILAVZNCBBD-BARDWOONSA-N 1 3 297.418 1.289 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)CN(CC)CC ZINC001114353807 1164501324 /nfs/dbraw/zinc/50/13/24/1164501324.db2.gz ZOZZILAVZNCBBD-BARDWOONSA-N 1 3 297.418 1.289 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001121931090 913249986 /nfs/dbraw/zinc/24/99/86/913249986.db2.gz CUVQZLJMYFYBKD-KBPBESRZSA-N 1 3 285.432 1.250 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249953 913716842 /nfs/dbraw/zinc/71/68/42/913716842.db2.gz UUDNESYDWBAIOO-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C=CCCCCN1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001209203767 894538496 /nfs/dbraw/zinc/53/84/96/894538496.db2.gz VRLMENPKTURNDM-LSDHHAIUSA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCCCCN1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001209203767 894538509 /nfs/dbraw/zinc/53/85/09/894538509.db2.gz VRLMENPKTURNDM-LSDHHAIUSA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114990252 896646608 /nfs/dbraw/zinc/64/66/08/896646608.db2.gz ZWEXYLQKXKARMG-JJXSEGSLSA-N 1 3 293.455 1.585 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC)CC1 ZINC001176737833 914235435 /nfs/dbraw/zinc/23/54/35/914235435.db2.gz NMMQMYZPRBBNEI-HNNXBMFYSA-N 1 3 293.455 1.616 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168356652 909222657 /nfs/dbraw/zinc/22/26/57/909222657.db2.gz RYGXIOXJSJCHSZ-UHFFFAOYSA-N 1 3 266.385 1.570 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461315 921614772 /nfs/dbraw/zinc/61/47/72/921614772.db2.gz HCRNHONMAVNCBS-MRXNPFEDSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCN1C(C)C ZINC001127066274 911263183 /nfs/dbraw/zinc/26/31/83/911263183.db2.gz KSCUHXCIBJLABB-CQSZACIVSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC(C)(C)C2)CC1 ZINC001052715598 936398753 /nfs/dbraw/zinc/39/87/53/936398753.db2.gz GIGSYQOQJICWNK-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC(C)(C)C2)CC1 ZINC001052715598 936398757 /nfs/dbraw/zinc/39/87/57/936398757.db2.gz GIGSYQOQJICWNK-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941683 917484454 /nfs/dbraw/zinc/48/44/54/917484454.db2.gz KHYGKXOYZOYIJX-RHSMWYFYSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182606805 918009169 /nfs/dbraw/zinc/00/91/69/918009169.db2.gz AUQRHUKXSLMVLV-HLLBOEOZSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229560 918371896 /nfs/dbraw/zinc/37/18/96/918371896.db2.gz MQXHFFZKWDSRMQ-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183509804 918513879 /nfs/dbraw/zinc/51/38/79/918513879.db2.gz OSAFHKJLNINOLN-NVXWUHKLSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183582406 918553648 /nfs/dbraw/zinc/55/36/48/918553648.db2.gz XUVNXZOIRWQJIF-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873260 936693549 /nfs/dbraw/zinc/69/35/49/936693549.db2.gz UCYFYISEZUMGHH-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCN(C)C ZINC001273711605 924809730 /nfs/dbraw/zinc/80/97/30/924809730.db2.gz FZBHBDGTFKNKEE-MRXNPFEDSA-N 1 3 277.412 1.028 20 30 CDEDHO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCN(C)C ZINC001273711605 924809739 /nfs/dbraw/zinc/80/97/39/924809739.db2.gz FZBHBDGTFKNKEE-MRXNPFEDSA-N 1 3 277.412 1.028 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559535 924957591 /nfs/dbraw/zinc/95/75/91/924957591.db2.gz IJPFULYQKNXXJR-YUELXQCFSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038416 926192609 /nfs/dbraw/zinc/19/26/09/926192609.db2.gz ZSEZPSQZSNPNEB-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606254 926206750 /nfs/dbraw/zinc/20/67/50/926206750.db2.gz IAVYPIDNTBZXFN-QLFBSQMISA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085606254 926206767 /nfs/dbraw/zinc/20/67/67/926206767.db2.gz IAVYPIDNTBZXFN-QLFBSQMISA-N 1 3 279.428 1.435 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111687 937122866 /nfs/dbraw/zinc/12/28/66/937122866.db2.gz IYYVDIVWIXPTOK-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111687 937122867 /nfs/dbraw/zinc/12/28/67/937122867.db2.gz IYYVDIVWIXPTOK-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108804455 928644988 /nfs/dbraw/zinc/64/49/88/928644988.db2.gz SIPNVOYQWLYHHI-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C#Cc1ccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)cc1 ZINC001275131687 931674112 /nfs/dbraw/zinc/67/41/12/931674112.db2.gz HRAQXKVYSYEDFV-UHFFFAOYSA-N 1 3 297.446 1.737 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H](C#N)C1 ZINC001160641835 931886424 /nfs/dbraw/zinc/88/64/24/931886424.db2.gz ABLSMHJMNONEGP-KBPBESRZSA-N 1 3 280.416 1.244 20 30 CDEDHO C#CCCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275975732 932190169 /nfs/dbraw/zinc/19/01/69/932190169.db2.gz MNJODJITCPUKGM-CALCHBBNSA-N 1 3 286.423 1.967 20 30 CDEDHO C#CCCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275975732 932190174 /nfs/dbraw/zinc/19/01/74/932190174.db2.gz MNJODJITCPUKGM-CALCHBBNSA-N 1 3 286.423 1.967 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]C(C)C)CC1 ZINC001146610919 932271938 /nfs/dbraw/zinc/27/19/38/932271938.db2.gz KUENXHUNSQLSQS-LSDHHAIUSA-N 1 3 293.455 1.613 20 30 CDEDHO CCCCN(C)CCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000304764878 935088818 /nfs/dbraw/zinc/08/88/18/935088818.db2.gz YPOXHAURFCMBDW-CQSZACIVSA-N 1 3 283.464 1.107 20 30 CDEDHO C=C[C@@H](O)C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001253585296 935269298 /nfs/dbraw/zinc/26/92/98/935269298.db2.gz WPYMYOKQUCPAQZ-CQSZACIVSA-N 1 3 256.365 1.432 20 30 CDEDHO CC[NH+](CC)CCNC(=N)Nc1ncc(C#N)cc1F ZINC001163128191 939206723 /nfs/dbraw/zinc/20/67/23/939206723.db2.gz DLXGOKDPQJFKQO-UHFFFAOYSA-N 1 3 278.335 1.370 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890529 940108182 /nfs/dbraw/zinc/10/81/82/940108182.db2.gz WKXVVASDCBWMAF-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207261914 940173529 /nfs/dbraw/zinc/17/35/29/940173529.db2.gz CGSYPGGVIOWAIR-QLFBSQMISA-N 1 3 297.418 1.126 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207261914 940173531 /nfs/dbraw/zinc/17/35/31/940173531.db2.gz CGSYPGGVIOWAIR-QLFBSQMISA-N 1 3 297.418 1.126 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208122953 940293687 /nfs/dbraw/zinc/29/36/87/940293687.db2.gz GSXRFLUQIJEMQP-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703741 941259892 /nfs/dbraw/zinc/25/98/92/941259892.db2.gz HLLSGQHNVSMKIR-AWEZNQCLSA-N 1 3 276.384 1.943 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN(C)CCC)CC1 ZINC001225228620 941831481 /nfs/dbraw/zinc/83/14/81/941831481.db2.gz RZCAIVPNHNHAAJ-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225543509 941877285 /nfs/dbraw/zinc/87/72/85/941877285.db2.gz VGBNTWOHSYQDML-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO O=C1C=C2CN([C@H]3CC4CC[NH+](CC4)C3)CCC2S1 ZINC001254857261 947634288 /nfs/dbraw/zinc/63/42/88/947634288.db2.gz ZCGNQYNMLNJKNT-UONOGXRCSA-N 1 3 278.421 1.745 20 30 CDEDHO C#CCOC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001251854812 950874840 /nfs/dbraw/zinc/87/48/40/950874840.db2.gz MIDYLILUANRCRS-YESZJQIVSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001251854812 950874857 /nfs/dbraw/zinc/87/48/57/950874857.db2.gz MIDYLILUANRCRS-YESZJQIVSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001251854812 950874871 /nfs/dbraw/zinc/87/48/71/950874871.db2.gz MIDYLILUANRCRS-YESZJQIVSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001251854812 950874876 /nfs/dbraw/zinc/87/48/76/950874876.db2.gz MIDYLILUANRCRS-YESZJQIVSA-N 1 3 294.439 1.336 20 30 CDEDHO C=CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252465312 951308204 /nfs/dbraw/zinc/30/82/04/951308204.db2.gz DRJULSOBDNAJOX-IAGOWNOFSA-N 1 3 296.455 1.890 20 30 CDEDHO C=CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252465312 951308220 /nfs/dbraw/zinc/30/82/20/951308220.db2.gz DRJULSOBDNAJOX-IAGOWNOFSA-N 1 3 296.455 1.890 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC001340296352 962871367 /nfs/dbraw/zinc/87/13/67/962871367.db2.gz HUSDPAAGETWKSV-JKSUJKDBSA-N 1 3 287.407 1.673 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001340753164 963107279 /nfs/dbraw/zinc/10/72/79/963107279.db2.gz OCBJVYGQWVCFLR-GSPSYOTPSA-N 1 3 265.401 1.411 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001340753164 963107286 /nfs/dbraw/zinc/10/72/86/963107286.db2.gz OCBJVYGQWVCFLR-GSPSYOTPSA-N 1 3 265.401 1.411 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001418059590 973562209 /nfs/dbraw/zinc/56/22/09/973562209.db2.gz BAARNAWTQANACC-HAQNSBGRSA-N 1 3 285.819 1.460 20 30 CDEDHO C=CCOCCN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277403 1163225341 /nfs/dbraw/zinc/22/53/41/1163225341.db2.gz GRYAERREPOCHIJ-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132436346 1163291674 /nfs/dbraw/zinc/29/16/74/1163291674.db2.gz KUNYURFEJZGPQL-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132436346 1163291677 /nfs/dbraw/zinc/29/16/77/1163291677.db2.gz KUNYURFEJZGPQL-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442891403 362102884 /nfs/dbraw/zinc/10/28/84/362102884.db2.gz ROBVYFNISMTUBJ-CQSZACIVSA-N 1 3 253.434 1.957 20 30 CDEDHO N#Cc1ccc(N2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000333246091 136385660 /nfs/dbraw/zinc/38/56/60/136385660.db2.gz FTKKPGJMNOVWPO-FVQHAEBGSA-N 1 3 282.391 1.334 20 30 CDEDHO CN(C)CCNC(=O)C1CC[NH+](CCCCC#N)CC1 ZINC000171037890 362292069 /nfs/dbraw/zinc/29/20/69/362292069.db2.gz WIEPGTRLYBDSOM-UHFFFAOYSA-N 1 3 280.416 1.070 20 30 CDEDHO CNC(NCc1ccccc1CN(C)C(C)C)=[NH+]C ZINC000057888018 347114985 /nfs/dbraw/zinc/11/49/85/347114985.db2.gz UQZHCNMBDNHRFP-UHFFFAOYSA-N 1 3 262.401 1.822 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000613255102 347542643 /nfs/dbraw/zinc/54/26/43/347542643.db2.gz KHUOADFZWIYWFC-CVEARBPZSA-N 1 3 278.444 1.686 20 30 CDEDHO CN(C)C(=[NH+]CCCN1CCc2ccccc2C1)N(C)C ZINC000264069167 362956483 /nfs/dbraw/zinc/95/64/83/362956483.db2.gz CRDUKEQOFFACNM-UHFFFAOYSA-N 1 3 288.439 1.914 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264091737 362964304 /nfs/dbraw/zinc/96/43/04/362964304.db2.gz LFWDMLOMPYKOHL-CYBMUJFWSA-N 1 3 276.384 1.906 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000236667220 358795920 /nfs/dbraw/zinc/79/59/20/358795920.db2.gz ASCRGVOYTYBLJE-CVEARBPZSA-N 1 3 293.455 1.943 20 30 CDEDHO C=CCOCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000348033559 359782939 /nfs/dbraw/zinc/78/29/39/359782939.db2.gz MXEIZDBGYSOAQJ-HUUCEWRRSA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCOCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000348033559 359782942 /nfs/dbraw/zinc/78/29/42/359782942.db2.gz MXEIZDBGYSOAQJ-HUUCEWRRSA-N 1 3 252.402 1.995 20 30 CDEDHO CC(C)[N@H+](C)CC1CCN(CCOCCC#N)CC1 ZINC000580101524 364625617 /nfs/dbraw/zinc/62/56/17/364625617.db2.gz WBGHRISUPNLSGL-UHFFFAOYSA-N 1 3 267.417 1.969 20 30 CDEDHO CC(C)[N@@H+](C)CC1CCN(CCOCCC#N)CC1 ZINC000580101524 364625624 /nfs/dbraw/zinc/62/56/24/364625624.db2.gz WBGHRISUPNLSGL-UHFFFAOYSA-N 1 3 267.417 1.969 20 30 CDEDHO C=CCC1(O)CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000717464900 684935182 /nfs/dbraw/zinc/93/51/82/684935182.db2.gz RAIYFKYCRANGAK-CQSZACIVSA-N 1 3 252.402 1.874 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014628589 684998779 /nfs/dbraw/zinc/99/87/79/684998779.db2.gz JFANWBKXHQGPIF-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014628589 684998782 /nfs/dbraw/zinc/99/87/82/684998782.db2.gz JFANWBKXHQGPIF-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000518774609 391151473 /nfs/dbraw/zinc/15/14/73/391151473.db2.gz VLAGKOTUNQKCHE-MRXNPFEDSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000518774609 391151476 /nfs/dbraw/zinc/15/14/76/391151476.db2.gz VLAGKOTUNQKCHE-MRXNPFEDSA-N 1 3 293.455 1.826 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1sc(C)nc1C ZINC000267461508 391196305 /nfs/dbraw/zinc/19/63/05/391196305.db2.gz VJHHDGKEMHQZOM-GFCCVEGCSA-N 1 3 295.456 1.649 20 30 CDEDHO CN(C)CCN(C)CCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000339206728 391269188 /nfs/dbraw/zinc/26/91/88/391269188.db2.gz XFNGDHYTVKHJAS-HUUCEWRRSA-N 1 3 266.433 1.494 20 30 CDEDHO CN(C)CCN(C)CCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000339206728 391269190 /nfs/dbraw/zinc/26/91/90/391269190.db2.gz XFNGDHYTVKHJAS-HUUCEWRRSA-N 1 3 266.433 1.494 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[NH2+]C)C(C)C ZINC000237235224 131016481 /nfs/dbraw/zinc/01/64/81/131016481.db2.gz XCSPJIRWAHJDFI-CYBMUJFWSA-N 1 3 253.390 1.021 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659450035 413837047 /nfs/dbraw/zinc/83/70/47/413837047.db2.gz FMSFBOMARRKSMA-UHFFFAOYSA-N 1 3 294.443 1.598 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000347060518 226008435 /nfs/dbraw/zinc/00/84/35/226008435.db2.gz CVMWBYFDNCAFIR-AWEZNQCLSA-N 1 3 285.391 1.969 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000347060519 226008512 /nfs/dbraw/zinc/00/85/12/226008512.db2.gz CVMWBYFDNCAFIR-CQSZACIVSA-N 1 3 285.391 1.969 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000340186207 263084370 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ZINC000424127601 330259638 /nfs/dbraw/zinc/25/96/38/330259638.db2.gz BDWQNAJUICINQT-UONOGXRCSA-N 1 3 280.416 1.388 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)C[C@H]1C ZINC000424142131 330284114 /nfs/dbraw/zinc/28/41/14/330284114.db2.gz HXMKIRYFIAICML-HZSPNIEDSA-N 1 3 280.416 1.339 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)C[C@H]1C ZINC000424142131 330284115 /nfs/dbraw/zinc/28/41/15/330284115.db2.gz HXMKIRYFIAICML-HZSPNIEDSA-N 1 3 280.416 1.339 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669465040 483173060 /nfs/dbraw/zinc/17/30/60/483173060.db2.gz JXNOAYXZOLPPGY-OAHLLOKOSA-N 1 3 294.443 1.468 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000334893157 526429378 /nfs/dbraw/zinc/42/93/78/526429378.db2.gz SKLIMQOKFIQREJ-QWHCGFSZSA-N 1 3 280.416 1.029 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972354766 613285159 /nfs/dbraw/zinc/28/51/59/613285159.db2.gz ONVIDVQOQRNIFO-KGLIPLIRSA-N 1 3 267.417 1.435 20 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/nfs/dbraw/zinc/57/49/61/629574961.db2.gz ZBAJBSZIJOJLIR-QWHCGFSZSA-N 1 3 255.406 1.502 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000911883801 629611594 /nfs/dbraw/zinc/61/15/94/629611594.db2.gz ZYYPPLCXDXCODK-ILXRZTDVSA-N 1 3 299.459 1.639 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001052956570 685390431 /nfs/dbraw/zinc/39/04/31/685390431.db2.gz VAOHHTOVLYXBKP-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001052956570 685390436 /nfs/dbraw/zinc/39/04/36/685390436.db2.gz VAOHHTOVLYXBKP-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001001401177 684837160 /nfs/dbraw/zinc/83/71/60/684837160.db2.gz CAIMVCDVXRTSJG-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449636 685068917 /nfs/dbraw/zinc/06/89/17/685068917.db2.gz FCCXKNNENRLLNO-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449636 685068931 /nfs/dbraw/zinc/06/89/31/685068931.db2.gz FCCXKNNENRLLNO-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cncc(C)c1 ZINC000130968761 685679970 /nfs/dbraw/zinc/67/99/70/685679970.db2.gz RRFVMIZWDVULPU-AWEZNQCLSA-N 1 3 275.400 1.279 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198594 685750000 /nfs/dbraw/zinc/75/00/00/685750000.db2.gz AOQIUHBTFJHTGB-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198594 685750015 /nfs/dbraw/zinc/75/00/15/685750015.db2.gz AOQIUHBTFJHTGB-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758205 685953284 /nfs/dbraw/zinc/95/32/84/685953284.db2.gz IDSWOCBZLTUPNJ-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022715424 686218996 /nfs/dbraw/zinc/21/89/96/686218996.db2.gz IJOGLBZXODVPCQ-WCFLWFBJSA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022715424 686219010 /nfs/dbraw/zinc/21/90/10/686219010.db2.gz IJOGLBZXODVPCQ-WCFLWFBJSA-N 1 3 285.819 1.318 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041139474 686442298 /nfs/dbraw/zinc/44/22/98/686442298.db2.gz GZZULNQMZBTYOY-DOTOQJQBSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041139474 686442315 /nfs/dbraw/zinc/44/23/15/686442315.db2.gz GZZULNQMZBTYOY-DOTOQJQBSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694226 686468727 /nfs/dbraw/zinc/46/87/27/686468727.db2.gz UXPXDMANHYELMX-MRXNPFEDSA-N 1 3 291.439 1.418 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028093928 686695893 /nfs/dbraw/zinc/69/58/93/686695893.db2.gz RSEIPUYUFGKWLG-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028093928 686695925 /nfs/dbraw/zinc/69/59/25/686695925.db2.gz RSEIPUYUFGKWLG-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020679148 686850017 /nfs/dbraw/zinc/85/00/17/686850017.db2.gz HSIBZVOPZAMBKS-HDJSIYSDSA-N 1 3 299.846 1.708 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005993169 687121340 /nfs/dbraw/zinc/12/13/40/687121340.db2.gz ZIRVZCOTGAERFE-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526019 687403879 /nfs/dbraw/zinc/40/38/79/687403879.db2.gz RUDPOAMUFZRHOF-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526019 687403882 /nfs/dbraw/zinc/40/38/82/687403882.db2.gz RUDPOAMUFZRHOF-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035733854 687469177 /nfs/dbraw/zinc/46/91/77/687469177.db2.gz ZZAZPZBALKTHOH-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038265012 687910025 /nfs/dbraw/zinc/91/00/25/687910025.db2.gz GBXVGPMZOJNFSV-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038265012 687910037 /nfs/dbraw/zinc/91/00/37/687910037.db2.gz GBXVGPMZOJNFSV-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038262827 688046524 /nfs/dbraw/zinc/04/65/24/688046524.db2.gz OTMKLJDECZTGRC-LSDHHAIUSA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586205 688149604 /nfs/dbraw/zinc/14/96/04/688149604.db2.gz ICBAPHVZAXBEBU-MGPQQGTHSA-N 1 3 265.401 1.284 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[N@@H+](C)CC ZINC001170211510 1162300445 /nfs/dbraw/zinc/30/04/45/1162300445.db2.gz OIKBOCUKHYEAMG-UHFFFAOYSA-N 1 3 261.797 1.177 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[N@H+](C)CC ZINC001170211510 1162300449 /nfs/dbraw/zinc/30/04/49/1162300449.db2.gz OIKBOCUKHYEAMG-UHFFFAOYSA-N 1 3 261.797 1.177 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949883 1162507645 /nfs/dbraw/zinc/50/76/45/1162507645.db2.gz JKSQVBGDNXIKCK-ZDUSSCGKSA-N 1 3 255.406 1.245 20 30 CDEDHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001130197729 1162568841 /nfs/dbraw/zinc/56/88/41/1162568841.db2.gz OARHRWXAAYLFSU-OAHLLOKOSA-N 1 3 288.395 1.104 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300167 1162150862 /nfs/dbraw/zinc/15/08/62/1162150862.db2.gz JQZCKDBPTQQLJN-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611267 1164307119 /nfs/dbraw/zinc/30/71/19/1164307119.db2.gz XDSWEQUOCUVHEO-OAGGEKHMSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001342365072 1167485925 /nfs/dbraw/zinc/48/59/25/1167485925.db2.gz UTYURPLJXUHABB-JHJVBQTASA-N 1 3 253.390 1.304 20 30 CDEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001713508725 1178616720 /nfs/dbraw/zinc/61/67/20/1178616720.db2.gz PJOIIDLZDRWJTF-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001713508725 1178616722 /nfs/dbraw/zinc/61/67/22/1178616722.db2.gz PJOIIDLZDRWJTF-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001752806993 1184918679 /nfs/dbraw/zinc/91/86/79/1184918679.db2.gz WLVKSDOOAZFRDR-JKSUJKDBSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCC[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001753074495 1185041795 /nfs/dbraw/zinc/04/17/95/1185041795.db2.gz NHSGEIAZUNFCQP-UHFFFAOYSA-N 1 3 287.407 1.433 20 30 CDEDHO C#CCC[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001753074495 1185041798 /nfs/dbraw/zinc/04/17/98/1185041798.db2.gz NHSGEIAZUNFCQP-UHFFFAOYSA-N 1 3 287.407 1.433 20 30 CDEDHO CC#CCNCCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001753267068 1185137677 /nfs/dbraw/zinc/13/76/77/1185137677.db2.gz JPWZTTVLIXPPRH-UHFFFAOYSA-N 1 3 279.428 1.324 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001755311705 1185910674 /nfs/dbraw/zinc/91/06/74/1185910674.db2.gz ULSWXEXRFYMJMZ-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001755311705 1185910679 /nfs/dbraw/zinc/91/06/79/1185910679.db2.gz ULSWXEXRFYMJMZ-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133965968 1163987202 /nfs/dbraw/zinc/98/72/02/1163987202.db2.gz RLEUBELTFUEZDW-AWEZNQCLSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901033 901858452 /nfs/dbraw/zinc/85/84/52/901858452.db2.gz PLDAIYIWBSIIJP-UHFFFAOYSA-N 1 3 290.411 1.713 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592813 915890533 /nfs/dbraw/zinc/89/05/33/915890533.db2.gz PSYHYKXRZDBGQC-UHFFFAOYSA-N 1 3 295.471 1.864 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185215594 919482991 /nfs/dbraw/zinc/48/29/91/919482991.db2.gz MCKPMAJUXBVRQQ-UONOGXRCSA-N 1 3 290.411 1.603 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099731 920833006 /nfs/dbraw/zinc/83/30/06/920833006.db2.gz NBNWHQQBCMBNIT-OAHLLOKOSA-N 1 3 277.412 1.076 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192948955 923334225 /nfs/dbraw/zinc/33/42/25/923334225.db2.gz YZJSLFDUNFVPJJ-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192948955 923334235 /nfs/dbraw/zinc/33/42/35/923334235.db2.gz YZJSLFDUNFVPJJ-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079843677 924436476 /nfs/dbraw/zinc/43/64/76/924436476.db2.gz DQOALCCMTNRNST-BZUAXINKSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079843677 924436481 /nfs/dbraw/zinc/43/64/81/924436481.db2.gz DQOALCCMTNRNST-BZUAXINKSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755571 937154332 /nfs/dbraw/zinc/15/43/32/937154332.db2.gz LSUDFZRVHZSJKV-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755571 937154333 /nfs/dbraw/zinc/15/43/33/937154333.db2.gz LSUDFZRVHZSJKV-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785978 928630876 /nfs/dbraw/zinc/63/08/76/928630876.db2.gz SBEQDHXWDWHAGV-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152458192 937361994 /nfs/dbraw/zinc/36/19/94/937361994.db2.gz MMHQJXZZHNJQIB-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO N#Cc1cnc(Cl)cc1NC(=N)NCCCC[NH3+] ZINC001157093428 938453181 /nfs/dbraw/zinc/45/31/81/938453181.db2.gz AIVRYVRMXLRZJX-UHFFFAOYSA-N 1 3 266.736 1.282 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158186428 938592384 /nfs/dbraw/zinc/59/23/84/938592384.db2.gz HAMIEVBVMNNTFE-OWYJLGKBSA-N 1 3 265.401 1.400 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733647 938928020 /nfs/dbraw/zinc/92/80/20/938928020.db2.gz HJNSJKPZIJHRJN-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274480 940010130 /nfs/dbraw/zinc/01/01/30/940010130.db2.gz IHUIDKDUZUJXNG-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401962 940032756 /nfs/dbraw/zinc/03/27/56/940032756.db2.gz HTCUCVWZSBNQCI-UHFFFAOYSA-N 1 3 290.411 1.747 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653062 940227036 /nfs/dbraw/zinc/22/70/36/940227036.db2.gz WBNHDOQUJATAFL-KFWWJZLASA-N 1 3 281.444 1.585 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653062 940227039 /nfs/dbraw/zinc/22/70/39/940227039.db2.gz WBNHDOQUJATAFL-KFWWJZLASA-N 1 3 281.444 1.585 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001210314936 940682512 /nfs/dbraw/zinc/68/25/12/940682512.db2.gz KZVFXRZIJZOYAI-LBPRGKRZSA-N 1 3 296.321 1.496 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218871981 941281911 /nfs/dbraw/zinc/28/19/11/941281911.db2.gz ZAXFKRVYXULQLB-GXFFZTMASA-N 1 3 260.341 1.318 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCCCC#N ZINC001220191510 941422240 /nfs/dbraw/zinc/42/22/40/941422240.db2.gz KADPNCAZHMIWER-ZDUSSCGKSA-N 1 3 268.405 1.292 20 30 CDEDHO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220664028 941462319 /nfs/dbraw/zinc/46/23/19/941462319.db2.gz UPSLPAJCNQVEDC-JSGCOSHPSA-N 1 3 291.395 1.495 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402482 941749372 /nfs/dbraw/zinc/74/93/72/941749372.db2.gz JNAVZNCOWUAKFW-MRXNPFEDSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001263098697 943743178 /nfs/dbraw/zinc/74/31/78/943743178.db2.gz LDYJVYUJRBFWGK-QWHCGFSZSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC001263098697 943743181 /nfs/dbraw/zinc/74/31/81/943743181.db2.gz LDYJVYUJRBFWGK-QWHCGFSZSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001263149305 943764168 /nfs/dbraw/zinc/76/41/68/943764168.db2.gz APVGITATJLRIPK-HZSPNIEDSA-N 1 3 267.417 1.646 20 30 CDEDHO C#CCCCCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164684 947319489 /nfs/dbraw/zinc/31/94/89/947319489.db2.gz RSEJMDXBZKWGLD-UHFFFAOYSA-N 1 3 277.416 1.343 20 30 CDEDHO C[NH+]1CCC(CN2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254675083 947589681 /nfs/dbraw/zinc/58/96/81/947589681.db2.gz DXTGHVSSLXEHMB-IAGOWNOFSA-N 1 3 290.455 1.638 20 30 CDEDHO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001245985641 947880152 /nfs/dbraw/zinc/88/01/52/947880152.db2.gz RVXFUQIWLSOLMN-VVLHAWIVSA-N 1 3 296.455 1.698 20 30 CDEDHO C=CCCCCCC[C@H](O)CN[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245985641 947880157 /nfs/dbraw/zinc/88/01/57/947880157.db2.gz RVXFUQIWLSOLMN-VVLHAWIVSA-N 1 3 296.455 1.698 20 30 CDEDHO C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251848248 950864490 /nfs/dbraw/zinc/86/44/90/950864490.db2.gz XBBPBUWLQPRJBN-IRXDYDNUSA-N 1 3 294.439 1.338 20 30 CDEDHO C#CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251848248 950864520 /nfs/dbraw/zinc/86/45/20/950864520.db2.gz XBBPBUWLQPRJBN-IRXDYDNUSA-N 1 3 294.439 1.338 20 30 CDEDHO C=CCOC[C@H](O)CN[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252499232 951379841 /nfs/dbraw/zinc/37/98/41/951379841.db2.gz XNHJHTWNYWEOMX-KFWWJZLASA-N 1 3 270.417 1.258 20 30 CDEDHO C=CCOC[C@H](O)CN[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001252499232 951379851 /nfs/dbraw/zinc/37/98/51/951379851.db2.gz XNHJHTWNYWEOMX-KFWWJZLASA-N 1 3 270.417 1.258 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001491833985 955459122 /nfs/dbraw/zinc/45/91/22/955459122.db2.gz XFDKRKGYGVOIKF-JKSUJKDBSA-N 1 3 295.471 1.977 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC001335263563 959671733 /nfs/dbraw/zinc/67/17/33/959671733.db2.gz IRDOQQZVBFDFTN-STQMWFEESA-N 1 3 257.422 1.870 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001336770978 960567389 /nfs/dbraw/zinc/56/73/89/960567389.db2.gz NKQMNAMMGWJTNU-UHFFFAOYSA-N 1 3 295.333 1.448 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340105868 962743646 /nfs/dbraw/zinc/74/36/46/962743646.db2.gz PDLFHBKUWIGAJH-GJZGRUSLSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001340105868 962743653 /nfs/dbraw/zinc/74/36/53/962743653.db2.gz PDLFHBKUWIGAJH-GJZGRUSLSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001340853569 963155778 /nfs/dbraw/zinc/15/57/78/963155778.db2.gz OCCWLWIGDXRSRA-DGCLKSJQSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001340853569 963155787 /nfs/dbraw/zinc/15/57/87/963155787.db2.gz OCCWLWIGDXRSRA-DGCLKSJQSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001341618347 963484861 /nfs/dbraw/zinc/48/48/61/963484861.db2.gz HTEMLKYXOYLKCY-JKSUJKDBSA-N 1 3 293.455 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001341618347 963484867 /nfs/dbraw/zinc/48/48/67/963484867.db2.gz HTEMLKYXOYLKCY-JKSUJKDBSA-N 1 3 293.455 1.860 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccccc2)CC1 ZINC001346251318 965014698 /nfs/dbraw/zinc/01/46/98/965014698.db2.gz LRQXGVPTFJKWNL-KRWDZBQOSA-N 1 3 272.392 1.797 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001100730754 969032777 /nfs/dbraw/zinc/03/27/77/969032777.db2.gz NWOKBNMHUGFREQ-QQFBHYJXSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001358025228 969680476 /nfs/dbraw/zinc/68/04/76/969680476.db2.gz YCMJXJRMBCVZTF-JKSUJKDBSA-N 1 3 287.407 1.501 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC001521424230 970295064 /nfs/dbraw/zinc/29/50/64/970295064.db2.gz AYGXYGJIKOXDBU-UONOGXRCSA-N 1 3 269.433 1.763 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001522325280 970420921 /nfs/dbraw/zinc/42/09/21/970420921.db2.gz CARCAQKSFBBYFD-OCCSQVGLSA-N 1 3 286.379 1.487 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418348416 973758978 /nfs/dbraw/zinc/75/89/78/973758978.db2.gz ZRDGZJFXGAVXFN-CYBMUJFWSA-N 1 3 299.846 1.661 20 30 CDEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000591570696 342637299 /nfs/dbraw/zinc/63/72/99/342637299.db2.gz CETVTISEHIRTKD-GVDBMIGSSA-N 1 3 290.455 1.875 20 30 CDEDHO C[N@H+](C[C@@H](O)CNCCc1ccc(C#N)cc1)C1CC1 ZINC000594718489 342948070 /nfs/dbraw/zinc/94/80/70/342948070.db2.gz QRQARYDBHNUJAK-INIZCTEOSA-N 1 3 273.380 1.145 20 30 CDEDHO C[N@@H+](C[C@@H](O)CNCCc1ccc(C#N)cc1)C1CC1 ZINC000594718489 342948071 /nfs/dbraw/zinc/94/80/71/342948071.db2.gz QRQARYDBHNUJAK-INIZCTEOSA-N 1 3 273.380 1.145 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000598714697 343880933 /nfs/dbraw/zinc/88/09/33/343880933.db2.gz IPQQRVZEPIXYPJ-MJBXVCDLSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000598714697 343880936 /nfs/dbraw/zinc/88/09/36/343880936.db2.gz IPQQRVZEPIXYPJ-MJBXVCDLSA-N 1 3 265.401 1.504 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000067233137 349017827 /nfs/dbraw/zinc/01/78/27/349017827.db2.gz AGBDTRMGGYRAJM-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C[NH+]1CCC(N2CC[C@H](NCc3cccc(C#N)n3)C2)CC1 ZINC000602549173 350123517 /nfs/dbraw/zinc/12/35/17/350123517.db2.gz SFPMSIOFEXXEMS-INIZCTEOSA-N 1 3 299.422 1.211 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1O ZINC000264121429 362971575 /nfs/dbraw/zinc/97/15/75/362971575.db2.gz RGRLOOLAWFVJMU-CYBMUJFWSA-N 1 3 276.384 1.281 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000165195916 363625508 /nfs/dbraw/zinc/62/55/08/363625508.db2.gz XIFYKZXVABRZTG-HZPDHXFCSA-N 1 3 293.455 1.801 20 30 CDEDHO N#Cc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000573371581 364045159 /nfs/dbraw/zinc/04/51/59/364045159.db2.gz SLYSTWLQCZNNSP-INIZCTEOSA-N 1 3 285.391 1.746 20 30 CDEDHO N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC001580052891 1172336397 /nfs/dbraw/zinc/33/63/97/1172336397.db2.gz YEPYVNDHKQWRLG-HUUCEWRRSA-N 1 3 259.353 1.948 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534273 377876183 /nfs/dbraw/zinc/87/61/83/377876183.db2.gz VVZWDBTZFKKDMN-ZIAGYGMSSA-N 1 3 294.443 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000417539803 377917236 /nfs/dbraw/zinc/91/72/36/377917236.db2.gz OYTDEXXENVZPLC-CYBMUJFWSA-N 1 3 282.432 1.454 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)s1 ZINC000104177938 390487104 /nfs/dbraw/zinc/48/71/04/390487104.db2.gz NWLIZCRYDZEADF-LLVKDONJSA-N 1 3 281.429 1.340 20 30 CDEDHO C=CCOCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000348033556 391413462 /nfs/dbraw/zinc/41/34/62/391413462.db2.gz MXEIZDBGYSOAQJ-CABCVRRESA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000417067386 391342027 /nfs/dbraw/zinc/34/20/27/391342027.db2.gz RDTCSQFFIWROMM-HUUCEWRRSA-N 1 3 296.459 1.674 20 30 CDEDHO C=CCOCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000348033556 391413465 /nfs/dbraw/zinc/41/34/65/391413465.db2.gz MXEIZDBGYSOAQJ-CABCVRRESA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975799 391371340 /nfs/dbraw/zinc/37/13/40/391371340.db2.gz GBGDNSINEVTCBF-UONOGXRCSA-N 1 3 265.401 1.000 20 30 CDEDHO C[NH+]=C(NCc1cccn1C)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261966495 391743508 /nfs/dbraw/zinc/74/35/08/391743508.db2.gz LOLDSJXSLNCQOO-HIFRSBDPSA-N 1 3 291.443 1.419 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC2CCN(c3ccncc3)CC2)N1 ZINC000262665296 391809318 /nfs/dbraw/zinc/80/93/18/391809318.db2.gz OKLFCWHOLNAKFW-GFCCVEGCSA-N 1 3 273.384 1.235 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000372424078 391852465 /nfs/dbraw/zinc/85/24/65/391852465.db2.gz BQAZARSJCPKQKV-CQSZACIVSA-N 1 3 265.401 1.285 20 30 CDEDHO C[C@H](CCNC1=[NH+]C[C@H](C)N1)N(C)Cc1ccccc1 ZINC000285041656 263089624 /nfs/dbraw/zinc/08/96/24/263089624.db2.gz KOABOAUQECMVDU-UONOGXRCSA-N 1 3 274.412 1.834 20 30 CDEDHO C#CCN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268869 268061986 /nfs/dbraw/zinc/06/19/86/268061986.db2.gz VECULZLFQFPSRD-UHFFFAOYSA-N 1 3 277.456 1.748 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000171732638 329079425 /nfs/dbraw/zinc/07/94/25/329079425.db2.gz RCEBGIKYQINUIK-CQSZACIVSA-N 1 3 296.459 1.666 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000171732638 329079427 /nfs/dbraw/zinc/07/94/27/329079427.db2.gz RCEBGIKYQINUIK-CQSZACIVSA-N 1 3 296.459 1.666 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC(C)(C)C1 ZINC000263026494 330039114 /nfs/dbraw/zinc/03/91/14/330039114.db2.gz ASMKNLQRFZTRDY-ZIAGYGMSSA-N 1 3 296.459 1.580 20 30 CDEDHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](N)CCCC#N ZINC000424132127 330264152 /nfs/dbraw/zinc/26/41/52/330264152.db2.gz KKLQZTVTPLXKCM-CABCVRRESA-N 1 3 294.443 1.778 20 30 CDEDHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](N)CCCC#N ZINC000424132127 330264153 /nfs/dbraw/zinc/26/41/53/330264153.db2.gz KKLQZTVTPLXKCM-CABCVRRESA-N 1 3 294.443 1.778 20 30 CDEDHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143135 330287015 /nfs/dbraw/zinc/28/70/15/330287015.db2.gz VZVNWVAMDJUHHW-HUUCEWRRSA-N 1 3 288.395 1.427 20 30 CDEDHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001753854466 1185364250 /nfs/dbraw/zinc/36/42/50/1185364250.db2.gz LLGNECVMONALLU-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001753854466 1185364257 /nfs/dbraw/zinc/36/42/57/1185364257.db2.gz LLGNECVMONALLU-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275467 1162146350 /nfs/dbraw/zinc/14/63/50/1162146350.db2.gz NSIJQQGTPMAYCO-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000334913263 526588743 /nfs/dbraw/zinc/58/87/43/526588743.db2.gz 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20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001354130812 900347990 /nfs/dbraw/zinc/34/79/90/900347990.db2.gz FOQOXYSWQDOKSQ-CYBMUJFWSA-N 1 3 279.388 1.067 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576137 900612856 /nfs/dbraw/zinc/61/28/56/900612856.db2.gz KYXMYSARYBWBQM-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576137 900612862 /nfs/dbraw/zinc/61/28/62/900612862.db2.gz KYXMYSARYBWBQM-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167815680 901053247 /nfs/dbraw/zinc/05/32/47/901053247.db2.gz XWOYHSAVEQIHAF-UHFFFAOYSA-N 1 3 267.417 1.390 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207610200 901453423 /nfs/dbraw/zinc/45/34/23/901453423.db2.gz NYSJZVHXJRXKOV-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207610200 901453433 /nfs/dbraw/zinc/45/34/33/901453433.db2.gz NYSJZVHXJRXKOV-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO N#Cc1cnc(NC(=N)NCCCC[NH3+])c2sccc21 ZINC001167880984 901635096 /nfs/dbraw/zinc/63/50/96/901635096.db2.gz UVXASIARIGVYIQ-UHFFFAOYSA-N 1 3 288.380 1.843 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010759 906124160 /nfs/dbraw/zinc/12/41/60/906124160.db2.gz JEBUEKSPNAKWPB-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010759 906124168 /nfs/dbraw/zinc/12/41/68/906124168.db2.gz JEBUEKSPNAKWPB-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094936069 911857069 /nfs/dbraw/zinc/85/70/69/911857069.db2.gz VHLLSTFTANGYII-KKUMJFAQSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001095005817 912157169 /nfs/dbraw/zinc/15/71/69/912157169.db2.gz UQABBTJUBXUZLW-SCRDCRAPSA-N 1 3 274.368 1.107 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179764259 915976913 /nfs/dbraw/zinc/97/69/13/915976913.db2.gz WHYRWNZCQBVDLK-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182934130 918243549 /nfs/dbraw/zinc/24/35/49/918243549.db2.gz RBAZNZLHGSLIOB-NVXWUHKLSA-N 1 3 295.471 1.979 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185218276 919483208 /nfs/dbraw/zinc/48/32/08/919483208.db2.gz ZSICFQBEIZIRLO-KGLIPLIRSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185215592 919483350 /nfs/dbraw/zinc/48/33/50/919483350.db2.gz MCKPMAJUXBVRQQ-KBPBESRZSA-N 1 3 290.411 1.603 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999374604 919743236 /nfs/dbraw/zinc/74/32/36/919743236.db2.gz RSSNOUWPZZGYPX-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873259 936693522 /nfs/dbraw/zinc/69/35/22/936693522.db2.gz UCYFYISEZUMGHH-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675781 922132147 /nfs/dbraw/zinc/13/21/47/922132147.db2.gz WWNZWBNKFODJFW-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675781 922132154 /nfs/dbraw/zinc/13/21/54/922132154.db2.gz WWNZWBNKFODJFW-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO N#Cc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)ccn1 ZINC001205591268 923011144 /nfs/dbraw/zinc/01/11/44/923011144.db2.gz JCMUAEBVOXEFKG-AWEZNQCLSA-N 1 3 262.332 1.606 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203102677 936829729 /nfs/dbraw/zinc/82/97/29/936829729.db2.gz IWKYDIOWRPFOSR-KGLIPLIRSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793337 924147816 /nfs/dbraw/zinc/14/78/16/924147816.db2.gz SBBJWYKXICIOQQ-LSDHHAIUSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793700 924152868 /nfs/dbraw/zinc/15/28/68/924152868.db2.gz SUGKQRHCLCCQQM-LSDHHAIUSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079723857 924414803 /nfs/dbraw/zinc/41/48/03/924414803.db2.gz NONDHTOJGJNJRF-KBUPBQIOSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079723857 924414807 /nfs/dbraw/zinc/41/48/07/924414807.db2.gz NONDHTOJGJNJRF-KBUPBQIOSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037329 924476604 /nfs/dbraw/zinc/47/66/04/924476604.db2.gz JZXBXPZXXGYQPG-HUUCEWRRSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037329 924476608 /nfs/dbraw/zinc/47/66/08/924476608.db2.gz JZXBXPZXXGYQPG-HUUCEWRRSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559132 924596399 /nfs/dbraw/zinc/59/63/99/924596399.db2.gz WOTRZVJVHMISMH-UKRRQHHQSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCN(C)C ZINC001273711604 924808230 /nfs/dbraw/zinc/80/82/30/924808230.db2.gz FZBHBDGTFKNKEE-INIZCTEOSA-N 1 3 277.412 1.028 20 30 CDEDHO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCN(C)C ZINC001273711604 924808238 /nfs/dbraw/zinc/80/82/38/924808238.db2.gz FZBHBDGTFKNKEE-INIZCTEOSA-N 1 3 277.412 1.028 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101037303 936953694 /nfs/dbraw/zinc/95/36/94/936953694.db2.gz HSCIBUPRPKQUON-UHFFFAOYSA-N 1 3 281.444 1.777 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465040 925027883 /nfs/dbraw/zinc/02/78/83/925027883.db2.gz RFKLCVYKIMMOAG-UHFFFAOYSA-N 1 3 291.439 1.370 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103138427 937124605 /nfs/dbraw/zinc/12/46/05/937124605.db2.gz KYZBWCYPEXVQJU-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103138427 937124607 /nfs/dbraw/zinc/12/46/07/937124607.db2.gz KYZBWCYPEXVQJU-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001086382134 927050783 /nfs/dbraw/zinc/05/07/83/927050783.db2.gz UYDHMPRWZMIXPY-KKUMJFAQSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCOCC[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161227351 937143156 /nfs/dbraw/zinc/14/31/56/937143156.db2.gz ZXQRDWAKNYNAHE-UHFFFAOYSA-N 1 3 285.432 1.015 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677367 937151090 /nfs/dbraw/zinc/15/10/90/937151090.db2.gz ZCPSKQPHAKYELD-TZMCWYRMSA-N 1 3 290.411 1.521 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677367 937151092 /nfs/dbraw/zinc/15/10/92/937151092.db2.gz ZCPSKQPHAKYELD-TZMCWYRMSA-N 1 3 290.411 1.521 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001152148790 937339074 /nfs/dbraw/zinc/33/90/74/937339074.db2.gz RIAWLTILVDXXJW-OKILXGFUSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819134 937473982 /nfs/dbraw/zinc/47/39/82/937473982.db2.gz PDGZHBDCDVQNCI-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819134 937473984 /nfs/dbraw/zinc/47/39/84/937473984.db2.gz PDGZHBDCDVQNCI-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171234994 932081548 /nfs/dbraw/zinc/08/15/48/932081548.db2.gz BDRHFVMMEVFSMP-HNNXBMFYSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146594859 932270579 /nfs/dbraw/zinc/27/05/79/932270579.db2.gz VQOUNNSAFUTSLA-OLZOCXBDSA-N 1 3 255.406 1.386 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961266 933201454 /nfs/dbraw/zinc/20/14/54/933201454.db2.gz ZAQCSIFLXQGVHT-KFWWJZLASA-N 1 3 277.412 1.073 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979793 933296613 /nfs/dbraw/zinc/29/66/13/933296613.db2.gz DKKBFORPANVSSS-MCIONIFRSA-N 1 3 265.401 1.236 20 30 CDEDHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N(C)C ZINC001120580490 937813238 /nfs/dbraw/zinc/81/32/38/937813238.db2.gz AYGUQNXAQNZWQC-ZFWWWQNUSA-N 1 3 291.395 1.228 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001019384227 935702526 /nfs/dbraw/zinc/70/25/26/935702526.db2.gz XOCAQHXHDOQDSC-XJKSGUPXSA-N 1 3 295.402 1.023 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857844 935872280 /nfs/dbraw/zinc/87/22/80/935872280.db2.gz OHLGFYCYFHAHOV-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242614 937915268 /nfs/dbraw/zinc/91/52/68/937915268.db2.gz LPACYGVTQYTUPZ-UHFFFAOYSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCN1CCC[C@H]1CNc1ncc(C)c(C2C[NH2+]C2)n1 ZINC001160957533 938849749 /nfs/dbraw/zinc/84/97/49/938849749.db2.gz MSBUDHONGWCRDJ-AWEZNQCLSA-N 1 3 287.411 1.534 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642477 940622097 /nfs/dbraw/zinc/62/20/97/940622097.db2.gz NPVLJDPIRYEMDI-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210229808 940673450 /nfs/dbraw/zinc/67/34/50/940673450.db2.gz SSBFKGYJIFQCPE-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO N#Cc1c[nH]c2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc12 ZINC001219044414 941302675 /nfs/dbraw/zinc/30/26/75/941302675.db2.gz DBRRADYRGCELAG-LBPRGKRZSA-N 1 3 271.324 1.044 20 30 CDEDHO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220664030 941462563 /nfs/dbraw/zinc/46/25/63/941462563.db2.gz UPSLPAJCNQVEDC-TZMCWYRMSA-N 1 3 291.395 1.495 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)c1cccc(C[NH3+])c1 ZINC001220868814 941479598 /nfs/dbraw/zinc/47/95/98/941479598.db2.gz VGZPEFYIPSQWOH-HNNXBMFYSA-N 1 3 273.380 1.526 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CC[NH3+])CC(F)(F)F ZINC001263180303 943777231 /nfs/dbraw/zinc/77/72/31/943777231.db2.gz IXMSUZPGMUEUTH-SECBINFHSA-N 1 3 267.295 1.020 20 30 CDEDHO N#Cc1cc(-c2ccc3c(n2)CNCC3)cc(C2C[NH2+]C2)c1 ZINC001240343766 945795370 /nfs/dbraw/zinc/79/53/70/945795370.db2.gz URUGQOGJQYFLGG-UHFFFAOYSA-N 1 3 290.370 1.953 20 30 CDEDHO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001254646488 947569121 /nfs/dbraw/zinc/56/91/21/947569121.db2.gz BAPGPXJKMSKHJJ-JONQDZQNSA-N 1 3 277.412 1.912 20 30 CDEDHO N#C[C@@H]1CC[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647382 947571041 /nfs/dbraw/zinc/57/10/41/947571041.db2.gz CKBXQYFPMKWHPD-AAVRWANBSA-N 1 3 263.385 1.649 20 30 CDEDHO C=CCCCCCC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246007222 947888056 /nfs/dbraw/zinc/88/80/56/947888056.db2.gz JGGVFPMZCOZITI-CABCVRRESA-N 1 3 299.459 1.446 20 30 CDEDHO N#Cc1cccc(OCCC[NH2+]C2CCNCC2)c1 ZINC001246329175 948108785 /nfs/dbraw/zinc/10/87/85/948108785.db2.gz OLRMYEPSLARAKN-UHFFFAOYSA-N 1 3 259.353 1.669 20 30 CDEDHO N#CCC1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246403549 948156042 /nfs/dbraw/zinc/15/60/42/948156042.db2.gz FYCHIEWXPCGDIM-BPCQOVAHSA-N 1 3 266.389 1.031 20 30 CDEDHO N#Cc1ccc(C2CCC([N@H+]3C[C@H](O)[C@@H](CN)C3)CC2)cc1 ZINC001246580110 948304968 /nfs/dbraw/zinc/30/49/68/948304968.db2.gz KSYYFZNZUVUIPV-IKJBURDNSA-N 1 3 299.418 1.836 20 30 CDEDHO N#Cc1ccc(C2CCC([N@@H+]3C[C@H](O)[C@@H](CN)C3)CC2)cc1 ZINC001246580110 948304980 /nfs/dbraw/zinc/30/49/80/948304980.db2.gz KSYYFZNZUVUIPV-IKJBURDNSA-N 1 3 299.418 1.836 20 30 CDEDHO C=C[C@](C)(O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252580648 951473739 /nfs/dbraw/zinc/47/37/39/951473739.db2.gz SPNPWLZNGAFJLW-KRWDZBQOSA-N 1 3 289.423 1.820 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001340056709 962715307 /nfs/dbraw/zinc/71/53/07/962715307.db2.gz OPMFDBKISTXIDQ-KGLIPLIRSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001340056709 962715320 /nfs/dbraw/zinc/71/53/20/962715320.db2.gz OPMFDBKISTXIDQ-KGLIPLIRSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001340792751 963130246 /nfs/dbraw/zinc/13/02/46/963130246.db2.gz YGPRGPKFXHNYFR-AWEZNQCLSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001341764849 963534574 /nfs/dbraw/zinc/53/45/74/963534574.db2.gz KSDXHIWVKLXGGV-NDBYEHHHSA-N 1 3 253.390 1.267 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001342308880 963705717 /nfs/dbraw/zinc/70/57/17/963705717.db2.gz ZQCUGKQTSXYJMA-IHRRRGAJSA-N 1 3 269.433 1.918 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC001353468492 967999572 /nfs/dbraw/zinc/99/95/72/967999572.db2.gz DNBNIIAQNSVHOW-KBPBESRZSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001353494469 968017219 /nfs/dbraw/zinc/01/72/19/968017219.db2.gz DRWHDJUUFHHDCJ-MJBXVCDLSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001353494469 968017228 /nfs/dbraw/zinc/01/72/28/968017228.db2.gz DRWHDJUUFHHDCJ-MJBXVCDLSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001357474932 969602215 /nfs/dbraw/zinc/60/22/15/969602215.db2.gz SFZGGGKGMNSHRC-KFWWJZLASA-N 1 3 295.427 1.025 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001522100929 970399332 /nfs/dbraw/zinc/39/93/32/970399332.db2.gz HORZMZSUALMKMS-HIFRSBDPSA-N 1 3 269.433 1.933 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347265 1163647869 /nfs/dbraw/zinc/64/78/69/1163647869.db2.gz VSIZTLSIBNSRDC-JKSUJKDBSA-N 1 3 293.455 1.424 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441771 342907708 /nfs/dbraw/zinc/90/77/08/342907708.db2.gz WRCXOSKWFAEDJC-ILXRZTDVSA-N 1 3 294.443 1.777 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000594441771 342907709 /nfs/dbraw/zinc/90/77/09/342907709.db2.gz WRCXOSKWFAEDJC-ILXRZTDVSA-N 1 3 294.443 1.777 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935174 343192592 /nfs/dbraw/zinc/19/25/92/343192592.db2.gz AQKFQAUCBQZPLT-HUUCEWRRSA-N 1 3 292.427 1.246 20 30 CDEDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000090106752 342395561 /nfs/dbraw/zinc/39/55/61/342395561.db2.gz MQVMZLHNEVSGSG-BBRMVZONSA-N 1 3 273.380 1.867 20 30 CDEDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000090106752 342395562 /nfs/dbraw/zinc/39/55/62/342395562.db2.gz MQVMZLHNEVSGSG-BBRMVZONSA-N 1 3 273.380 1.867 20 30 CDEDHO C[NH+](C)CC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000597709286 343606586 /nfs/dbraw/zinc/60/65/86/343606586.db2.gz STFBBCJCSRIUKU-INIZCTEOSA-N 1 3 285.391 1.779 20 30 CDEDHO C#CCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000491414378 365782465 /nfs/dbraw/zinc/78/24/65/365782465.db2.gz CGUBVCXKXPSFNV-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000602671633 344522833 /nfs/dbraw/zinc/52/28/33/344522833.db2.gz VZLQFWUQSWKWOA-HNNXBMFYSA-N 1 3 294.443 1.508 20 30 CDEDHO C[C@H]1CN(CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345952306 358960815 /nfs/dbraw/zinc/96/08/15/358960815.db2.gz NEHNRLAXSGTHED-JKSUJKDBSA-N 1 3 292.471 1.884 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000337187234 360031703 /nfs/dbraw/zinc/03/17/03/360031703.db2.gz PXAZIIJUIVEEOG-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO CCC[NH+]1CCC(N(C)CCC(=O)N(C)CCC#N)CC1 ZINC000092799258 360286042 /nfs/dbraw/zinc/28/60/42/360286042.db2.gz CKPGZCNAJWFFMR-UHFFFAOYSA-N 1 3 294.443 1.555 20 30 CDEDHO C=CCC[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000320248624 360476888 /nfs/dbraw/zinc/47/68/88/360476888.db2.gz HWLPDHFFAQPEBU-HNNXBMFYSA-N 1 3 275.396 1.967 20 30 CDEDHO C[C@H](CCC#N)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000563217417 360822735 /nfs/dbraw/zinc/82/27/35/360822735.db2.gz QJYSKOPUUVJQSC-CYBMUJFWSA-N 1 3 280.416 1.068 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000074132545 369236336 /nfs/dbraw/zinc/23/63/36/369236336.db2.gz PLCSGRQISAXJLB-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000074132545 369236340 /nfs/dbraw/zinc/23/63/40/369236340.db2.gz PLCSGRQISAXJLB-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000565941082 370571867 /nfs/dbraw/zinc/57/18/67/370571867.db2.gz MNGIZSFYHURPHJ-UHFFFAOYSA-N 1 3 294.443 1.326 20 30 CDEDHO Cn1cc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1C#N ZINC000276984121 374764410 /nfs/dbraw/zinc/76/44/10/374764410.db2.gz UFWSRZJDSRSHBW-HUUCEWRRSA-N 1 3 258.369 1.613 20 30 CDEDHO CN(C)C(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291050 376000053 /nfs/dbraw/zinc/00/00/53/376000053.db2.gz VGQBSECLUYQECW-AWEZNQCLSA-N 1 3 260.385 1.385 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417540222 377922340 /nfs/dbraw/zinc/92/23/40/377922340.db2.gz PBWNLSHEFAUFGK-AWEZNQCLSA-N 1 3 280.416 1.078 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000442788925 391039342 /nfs/dbraw/zinc/03/93/42/391039342.db2.gz GFRKQZJLDLHBHE-HUUCEWRRSA-N 1 3 277.412 1.913 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000345265416 391112144 /nfs/dbraw/zinc/11/21/44/391112144.db2.gz RPXNZYNLSLUXKM-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CO)c1 ZINC000178567724 391188373 /nfs/dbraw/zinc/18/83/73/391188373.db2.gz NHEWAFHIOGLGPI-HNNXBMFYSA-N 1 3 290.411 1.068 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)CC[NH3+])C(C)C ZINC000417058151 391341417 /nfs/dbraw/zinc/34/14/17/391341417.db2.gz DRDMWJYYLIDZBP-CQSZACIVSA-N 1 3 282.432 1.285 20 30 CDEDHO C=CCN(C)CCN(CC)CC[C@@H]1CCC[N@@H+]1C ZINC000411634720 391494040 /nfs/dbraw/zinc/49/40/40/391494040.db2.gz APZCSRVDBDUREN-HNNXBMFYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=CCN(C)CCN(CC)CC[C@@H]1CCC[N@H+]1C ZINC000411634720 391494041 /nfs/dbraw/zinc/49/40/41/391494041.db2.gz APZCSRVDBDUREN-HNNXBMFYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN(C)CCC)CC1 ZINC000359268591 391586337 /nfs/dbraw/zinc/58/63/37/391586337.db2.gz WWKXKHBADCKFNM-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000359695002 158339494 /nfs/dbraw/zinc/33/94/94/158339494.db2.gz KRODUVSRIBFLGL-ZDUSSCGKSA-N 1 3 260.385 1.718 20 30 CDEDHO C[NH+]=C(NCCNC(C)(C)C)N1CCSC(C)(C)C1 ZINC000126705352 264227606 /nfs/dbraw/zinc/22/76/06/264227606.db2.gz GDYPAPQOKZCSNZ-UHFFFAOYSA-N 1 3 286.489 1.777 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362800999 267047761 /nfs/dbraw/zinc/04/77/61/267047761.db2.gz JYLSNCKOPSOHAP-DZGCQCFKSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362800999 267047764 /nfs/dbraw/zinc/04/77/64/267047764.db2.gz JYLSNCKOPSOHAP-DZGCQCFKSA-N 1 3 279.428 1.341 20 30 CDEDHO CN(CCCN(C)Cc1ccc(C#N)cn1)CC[NH+](C)C ZINC000563364311 316271717 /nfs/dbraw/zinc/27/17/17/316271717.db2.gz PEMJBAOCCJYZPM-UHFFFAOYSA-N 1 3 289.427 1.269 20 30 CDEDHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143131 330286951 /nfs/dbraw/zinc/28/69/51/330286951.db2.gz VZVNWVAMDJUHHW-CABCVRRESA-N 1 3 288.395 1.427 20 30 CDEDHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)CCCC#N ZINC000424149279 330295855 /nfs/dbraw/zinc/29/58/55/330295855.db2.gz WFAXKFDTVMQBKM-ZIAGYGMSSA-N 1 3 280.416 1.340 20 30 CDEDHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](N)CCCC#N ZINC000424149279 330295856 /nfs/dbraw/zinc/29/58/56/330295856.db2.gz WFAXKFDTVMQBKM-ZIAGYGMSSA-N 1 3 280.416 1.340 20 30 CDEDHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424157096 330304725 /nfs/dbraw/zinc/30/47/25/330304725.db2.gz PDLKKELHLHESCU-BARDWOONSA-N 1 3 294.443 1.490 20 30 CDEDHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424157096 330304726 /nfs/dbraw/zinc/30/47/26/330304726.db2.gz PDLKKELHLHESCU-BARDWOONSA-N 1 3 294.443 1.490 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000424158539 330305562 /nfs/dbraw/zinc/30/55/62/330305562.db2.gz RDUPENKZAOJLIR-KBPBESRZSA-N 1 3 278.400 1.094 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424454935 330352719 /nfs/dbraw/zinc/35/27/19/330352719.db2.gz QJUBIWXJIANBSO-ZIAGYGMSSA-N 1 3 280.416 1.206 20 30 CDEDHO C=CC[C@@H](CC)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000546666464 334044598 /nfs/dbraw/zinc/04/45/98/334044598.db2.gz DEIPSIJCNLMGBR-CQSZACIVSA-N 1 3 284.448 1.476 20 30 CDEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001699598964 1176494244 /nfs/dbraw/zinc/49/42/44/1176494244.db2.gz IWPBXXGYDKWAQW-GJZGRUSLSA-N 1 3 279.428 1.080 20 30 CDEDHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001753053348 1185023878 /nfs/dbraw/zinc/02/38/78/1185023878.db2.gz ORWCTBKVBCMLRZ-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001753053348 1185023884 /nfs/dbraw/zinc/02/38/84/1185023884.db2.gz ORWCTBKVBCMLRZ-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067671787 521694172 /nfs/dbraw/zinc/69/41/72/521694172.db2.gz AZKKHXHPCQBDSJ-OAHLLOKOSA-N 1 3 286.423 1.674 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000347044347 528471072 /nfs/dbraw/zinc/47/10/72/528471072.db2.gz XUHCMTVEULGCMA-STQMWFEESA-N 1 3 251.374 1.917 20 30 CDEDHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000347044347 528471075 /nfs/dbraw/zinc/47/10/75/528471075.db2.gz XUHCMTVEULGCMA-STQMWFEESA-N 1 3 251.374 1.917 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000764441082 575907435 /nfs/dbraw/zinc/90/74/35/575907435.db2.gz JZDMISISMLWTRA-MRXNPFEDSA-N 1 3 289.423 1.832 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948779433 613161006 /nfs/dbraw/zinc/16/10/06/613161006.db2.gz NRGXMSVIORRWST-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948779433 613161008 /nfs/dbraw/zinc/16/10/08/613161008.db2.gz NRGXMSVIORRWST-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779433 613161009 /nfs/dbraw/zinc/16/10/09/613161009.db2.gz NRGXMSVIORRWST-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779433 613161011 /nfs/dbraw/zinc/16/10/11/613161011.db2.gz NRGXMSVIORRWST-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775350 613161467 /nfs/dbraw/zinc/16/14/67/613161467.db2.gz GMSHGURNJHMNGI-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775350 613161468 /nfs/dbraw/zinc/16/14/68/613161468.db2.gz GMSHGURNJHMNGI-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000969955716 613348275 /nfs/dbraw/zinc/34/82/75/613348275.db2.gz RSLQGUXOPBVHJT-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330844 613611818 /nfs/dbraw/zinc/61/18/18/613611818.db2.gz IBULEJCKVYUPEV-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330844 613611822 /nfs/dbraw/zinc/61/18/22/613611822.db2.gz IBULEJCKVYUPEV-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981842851 613679143 /nfs/dbraw/zinc/67/91/43/613679143.db2.gz NQVZOVSFBHICQS-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981842851 613679144 /nfs/dbraw/zinc/67/91/44/613679144.db2.gz NQVZOVSFBHICQS-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000970796677 613864713 /nfs/dbraw/zinc/86/47/13/613864713.db2.gz PJCWWOQFDZNYMK-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000891521256 617460049 /nfs/dbraw/zinc/46/00/49/617460049.db2.gz GFJQLFZGRZOAMA-UHFFFAOYSA-N 1 3 268.405 1.063 20 30 CDEDHO CC(C)[NH+]1CCC(O)(CNCC#Cc2ccccc2)CC1 ZINC000893105040 618175645 /nfs/dbraw/zinc/17/56/45/618175645.db2.gz BQAOXFAWQLIOHT-UHFFFAOYSA-N 1 3 286.419 1.863 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911655882 629402115 /nfs/dbraw/zinc/40/21/15/629402115.db2.gz KWIMNSYIWIXVCZ-ZIAGYGMSSA-N 1 3 269.433 1.885 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322429 1158727436 /nfs/dbraw/zinc/72/74/36/1158727436.db2.gz JNSCRDDRQZFUIV-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001074877992 695537993 /nfs/dbraw/zinc/53/79/93/695537993.db2.gz VLKNQCNEBMGWIU-RDBSUJKOSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001023123369 695511401 /nfs/dbraw/zinc/51/14/01/695511401.db2.gz UVHBUTIOYRDOAL-KPWCQOOUSA-N 1 3 265.401 1.282 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001029004061 695582401 /nfs/dbraw/zinc/58/24/01/695582401.db2.gz SLGVVTFJUITIMU-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001029004061 695582402 /nfs/dbraw/zinc/58/24/02/695582402.db2.gz SLGVVTFJUITIMU-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841674 695725302 /nfs/dbraw/zinc/72/53/02/695725302.db2.gz SZMFIYWCNXYAEI-OWCLPIDISA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049841674 695725317 /nfs/dbraw/zinc/72/53/17/695725317.db2.gz SZMFIYWCNXYAEI-OWCLPIDISA-N 1 3 289.423 1.027 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025682 695821377 /nfs/dbraw/zinc/82/13/77/695821377.db2.gz BEKRARLTTOYPNG-GFCCVEGCSA-N 1 3 263.389 1.279 20 30 CDEDHO C[NH+]=C(NCCOC)NC[C@H](C)N1CCCC[C@H]1C ZINC000071804044 695833856 /nfs/dbraw/zinc/83/38/56/695833856.db2.gz MNGHPVFDQZUARE-OLZOCXBDSA-N 1 3 270.421 1.061 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985466659 695854858 /nfs/dbraw/zinc/85/48/58/695854858.db2.gz DOUAGEKKPZNFMZ-UHFFFAOYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985466659 695854860 /nfs/dbraw/zinc/85/48/60/695854860.db2.gz DOUAGEKKPZNFMZ-UHFFFAOYSA-N 1 3 279.428 1.580 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001001469757 695920555 /nfs/dbraw/zinc/92/05/55/695920555.db2.gz ZGTGYHZVEIFSCD-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001001469757 695920560 /nfs/dbraw/zinc/92/05/60/695920560.db2.gz ZGTGYHZVEIFSCD-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000876766684 695934858 /nfs/dbraw/zinc/93/48/58/695934858.db2.gz PWDCQXHHGKEXEN-STQMWFEESA-N 1 3 287.835 1.837 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000876766684 695934861 /nfs/dbraw/zinc/93/48/61/695934861.db2.gz PWDCQXHHGKEXEN-STQMWFEESA-N 1 3 287.835 1.837 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044748527 695980451 /nfs/dbraw/zinc/98/04/51/695980451.db2.gz FBAZJQAKNQKAFN-OLZOCXBDSA-N 1 3 276.384 1.497 20 30 CDEDHO C#Cc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000849037969 696064896 /nfs/dbraw/zinc/06/48/96/696064896.db2.gz DJIQRRKHRZDSFM-INIZCTEOSA-N 1 3 284.407 1.766 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001019811077 696068333 /nfs/dbraw/zinc/06/83/33/696068333.db2.gz ZAWBWUWQKSDMCI-INIZCTEOSA-N 1 3 285.391 1.186 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001026283889 696221151 /nfs/dbraw/zinc/22/11/51/696221151.db2.gz MXDKKUDCJGXFJF-RRFJBIMHSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130425318 1162622916 /nfs/dbraw/zinc/62/29/16/1162622916.db2.gz TVTVYTBFAUDENY-ZDUSSCGKSA-N 1 3 269.433 1.777 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274889 1163622135 /nfs/dbraw/zinc/62/21/35/1163622135.db2.gz ODIVTFCLUOYXLT-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442631 1165045187 /nfs/dbraw/zinc/04/51/87/1165045187.db2.gz LCIWYBGWKLKHSZ-JJXSEGSLSA-N 1 3 293.455 1.585 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442631 1165045194 /nfs/dbraw/zinc/04/51/94/1165045194.db2.gz LCIWYBGWKLKHSZ-JJXSEGSLSA-N 1 3 293.455 1.585 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488086 1165359403 /nfs/dbraw/zinc/35/94/03/1165359403.db2.gz GKEBYYFWKQMZDQ-FICVDOATSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488086 1165359411 /nfs/dbraw/zinc/35/94/11/1165359411.db2.gz GKEBYYFWKQMZDQ-FICVDOATSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569146967 1169691171 /nfs/dbraw/zinc/69/11/71/1169691171.db2.gz OGRJZNNWGSORQV-UONOGXRCSA-N 1 3 267.417 1.032 20 30 CDEDHO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569146967 1169691176 /nfs/dbraw/zinc/69/11/76/1169691176.db2.gz OGRJZNNWGSORQV-UONOGXRCSA-N 1 3 267.417 1.032 20 30 CDEDHO CC(C)(CNC(=O)[C@@H](N)CCCC#N)C[NH+]1CCCC1 ZINC001575320414 1171152201 /nfs/dbraw/zinc/15/22/01/1171152201.db2.gz VUWGPLUTBRIAQZ-ZDUSSCGKSA-N 1 3 280.416 1.246 20 30 CDEDHO C=CC[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001752060134 1184814536 /nfs/dbraw/zinc/81/45/36/1184814536.db2.gz KXOROPBVFAYKCE-MRXNPFEDSA-N 1 3 299.434 1.823 20 30 CDEDHO C=CC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001752060134 1184814541 /nfs/dbraw/zinc/81/45/41/1184814541.db2.gz KXOROPBVFAYKCE-MRXNPFEDSA-N 1 3 299.434 1.823 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001752812185 1184920626 /nfs/dbraw/zinc/92/06/26/1184920626.db2.gz VHNHTFXIHIMNRN-OAHLLOKOSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001753364838 1185169778 /nfs/dbraw/zinc/16/97/78/1185169778.db2.gz DNFOKUINOJZOLH-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001753364838 1185169782 /nfs/dbraw/zinc/16/97/82/1185169782.db2.gz DNFOKUINOJZOLH-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754051318 1185442753 /nfs/dbraw/zinc/44/27/53/1185442753.db2.gz GTBKDRUWDFLBNL-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001754051318 1185442755 /nfs/dbraw/zinc/44/27/55/1185442755.db2.gz GTBKDRUWDFLBNL-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001754325831 1185578551 /nfs/dbraw/zinc/57/85/51/1185578551.db2.gz WUIINORTEBCSTK-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001754325831 1185578554 /nfs/dbraw/zinc/57/85/54/1185578554.db2.gz WUIINORTEBCSTK-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754500151 1185646332 /nfs/dbraw/zinc/64/63/32/1185646332.db2.gz LHBBBALTTCEOCP-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001754500151 1185646334 /nfs/dbraw/zinc/64/63/34/1185646334.db2.gz LHBBBALTTCEOCP-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO CC#CCNC1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001754535651 1185662845 /nfs/dbraw/zinc/66/28/45/1185662845.db2.gz LXFKKXXCPPUNJW-UHFFFAOYSA-N 1 3 277.412 1.124 20 30 CDEDHO CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754808079 1185736192 /nfs/dbraw/zinc/73/61/92/1185736192.db2.gz XKMCPWMEPVEREC-GJZGRUSLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001755686725 1186037884 /nfs/dbraw/zinc/03/78/84/1186037884.db2.gz OZORCZPYLXKRAT-OCCSQVGLSA-N 1 3 276.384 1.497 20 30 CDEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CC)CC2)CC1 ZINC001045646141 724414430 /nfs/dbraw/zinc/41/44/30/724414430.db2.gz FFAOIXGZGTZXKG-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C[C@H](C[NH+]=C(N(C)C)N(C)C)N1CCCC[C@H]1C ZINC000262021932 723726498 /nfs/dbraw/zinc/72/64/98/723726498.db2.gz YBRQACBALKFOJD-CHWSQXEVSA-N 1 3 254.422 1.729 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001036191798 723732217 /nfs/dbraw/zinc/73/22/17/723732217.db2.gz HIWDJXJLEXEUOZ-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712285 723828829 /nfs/dbraw/zinc/82/88/29/723828829.db2.gz GPZWZPROIOHFFV-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712285 723828831 /nfs/dbraw/zinc/82/88/31/723828831.db2.gz GPZWZPROIOHFFV-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041355862 723831038 /nfs/dbraw/zinc/83/10/38/723831038.db2.gz RQMJGVVMGWCAJL-INIZCTEOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041355862 723831039 /nfs/dbraw/zinc/83/10/39/723831039.db2.gz RQMJGVVMGWCAJL-INIZCTEOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993930494 724302854 /nfs/dbraw/zinc/30/28/54/724302854.db2.gz QHWGHXQSWFYFPX-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990244946 725396059 /nfs/dbraw/zinc/39/60/59/725396059.db2.gz RELJDBMQURSXFP-CYBMUJFWSA-N 1 3 285.819 1.414 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049083431 724526590 /nfs/dbraw/zinc/52/65/90/724526590.db2.gz DAULEWOTJHICIQ-OKILXGFUSA-N 1 3 288.395 1.309 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049083431 724526602 /nfs/dbraw/zinc/52/66/02/724526602.db2.gz DAULEWOTJHICIQ-OKILXGFUSA-N 1 3 288.395 1.309 20 30 CDEDHO CC[C@H](CNC(=[NH2+])N1CCCCC1)N1CCCC1 ZINC000303879046 724729899 /nfs/dbraw/zinc/72/98/99/724729899.db2.gz GKMAVMDDCAHPHT-CYBMUJFWSA-N 1 3 252.406 1.661 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001037847584 724778307 /nfs/dbraw/zinc/77/83/07/724778307.db2.gz AMBZNZKABLQYJB-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580420 723762695 /nfs/dbraw/zinc/76/26/95/723762695.db2.gz VYEPWLYLKTZMBT-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580420 723762697 /nfs/dbraw/zinc/76/26/97/723762697.db2.gz VYEPWLYLKTZMBT-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675119 725070825 /nfs/dbraw/zinc/07/08/25/725070825.db2.gz OAZLXTVTQZBWQW-UHFFFAOYSA-N 1 3 262.357 1.061 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675119 725070829 /nfs/dbraw/zinc/07/08/29/725070829.db2.gz OAZLXTVTQZBWQW-UHFFFAOYSA-N 1 3 262.357 1.061 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000303895132 725151810 /nfs/dbraw/zinc/15/18/10/725151810.db2.gz SZIDNTGBZHQCGD-CYBMUJFWSA-N 1 3 254.422 1.667 20 30 CDEDHO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218354 725199477 /nfs/dbraw/zinc/19/94/77/725199477.db2.gz TTXGIAHHKCACER-NVXWUHKLSA-N 1 3 291.439 1.849 20 30 CDEDHO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218354 725199478 /nfs/dbraw/zinc/19/94/78/725199478.db2.gz TTXGIAHHKCACER-NVXWUHKLSA-N 1 3 291.439 1.849 20 30 CDEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847341 725224236 /nfs/dbraw/zinc/22/42/36/725224236.db2.gz VNYOTCRQAKWZOQ-CABCVRRESA-N 1 3 289.423 1.334 20 30 CDEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1ccc(C#N)cn1 ZINC000925893137 725248452 /nfs/dbraw/zinc/24/84/52/725248452.db2.gz LQNVXTVSTLYCQQ-TZMCWYRMSA-N 1 3 273.384 1.343 20 30 CDEDHO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000158252677 725344017 /nfs/dbraw/zinc/34/40/17/725344017.db2.gz UEHBFZBHJGAOBI-KCXAZCMYSA-N 1 3 273.380 1.664 20 30 CDEDHO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000158252677 725344019 /nfs/dbraw/zinc/34/40/19/725344019.db2.gz UEHBFZBHJGAOBI-KCXAZCMYSA-N 1 3 273.380 1.664 20 30 CDEDHO C#CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736432 725388695 /nfs/dbraw/zinc/38/86/95/725388695.db2.gz ZTJQFFSYNBSOFP-GJZGRUSLSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036736432 725388698 /nfs/dbraw/zinc/38/86/98/725388698.db2.gz ZTJQFFSYNBSOFP-GJZGRUSLSA-N 1 3 289.423 1.027 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018267228 725396216 /nfs/dbraw/zinc/39/62/16/725396216.db2.gz ZWQAFHTZTRIAQK-KFWWJZLASA-N 1 3 277.412 1.189 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018267228 725396218 /nfs/dbraw/zinc/39/62/18/725396218.db2.gz ZWQAFHTZTRIAQK-KFWWJZLASA-N 1 3 277.412 1.189 20 30 CDEDHO C#CCOCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213885 725529140 /nfs/dbraw/zinc/52/91/40/725529140.db2.gz RTBRJXBPMVVLFC-UHFFFAOYSA-N 1 3 260.381 1.830 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001020174113 725650079 /nfs/dbraw/zinc/65/00/79/725650079.db2.gz VVDDLUXEFOGPMH-XDQVBPFNSA-N 1 3 299.846 1.706 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001020174113 725650091 /nfs/dbraw/zinc/65/00/91/725650091.db2.gz VVDDLUXEFOGPMH-XDQVBPFNSA-N 1 3 299.846 1.706 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155288887 1167115485 /nfs/dbraw/zinc/11/54/85/1167115485.db2.gz DWEOZPUQAXBREW-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155288887 1167115491 /nfs/dbraw/zinc/11/54/91/1167115491.db2.gz DWEOZPUQAXBREW-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246208 913710024 /nfs/dbraw/zinc/71/00/24/913710024.db2.gz IKTJZPLQKNZQRE-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266352641 894516289 /nfs/dbraw/zinc/51/62/89/894516289.db2.gz FHJMYNZSMYBTEN-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266352641 894516301 /nfs/dbraw/zinc/51/63/01/894516301.db2.gz FHJMYNZSMYBTEN-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO CN(C)/C=N/c1ccc(N[C@H]2CC[N@H+](C)C2)cc1C#N ZINC001167278258 895028852 /nfs/dbraw/zinc/02/88/52/895028852.db2.gz FCIWIQMARFBZBO-MPMPPSQCSA-N 1 3 271.368 1.896 20 30 CDEDHO CN(C)/C=N/c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1C#N ZINC001167278258 895028868 /nfs/dbraw/zinc/02/88/68/895028868.db2.gz FCIWIQMARFBZBO-MPMPPSQCSA-N 1 3 271.368 1.896 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350762 914078994 /nfs/dbraw/zinc/07/89/94/914078994.db2.gz JTLIAGIVKICPLA-ZDUSSCGKSA-N 1 3 290.411 1.549 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267068490 896680080 /nfs/dbraw/zinc/68/00/80/896680080.db2.gz YAWVHNBHAJGEFN-KBPBESRZSA-N 1 3 267.417 1.197 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176752962 914258353 /nfs/dbraw/zinc/25/83/53/914258353.db2.gz BPCMAIBPRQDRJK-OAHLLOKOSA-N 1 3 281.444 1.615 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972037 914410932 /nfs/dbraw/zinc/41/09/32/914410932.db2.gz LNQRBRASXGCRHF-UHFFFAOYSA-N 1 3 255.406 1.389 20 30 CDEDHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001482063840 902582173 /nfs/dbraw/zinc/58/21/73/902582173.db2.gz WQNKHBGDTVDWIO-CQSZACIVSA-N 1 3 276.384 1.499 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391157 921456688 /nfs/dbraw/zinc/45/66/88/921456688.db2.gz WNGMEHRRHPEADB-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391157 921456695 /nfs/dbraw/zinc/45/66/95/921456695.db2.gz WNGMEHRRHPEADB-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534455 915859772 /nfs/dbraw/zinc/85/97/72/915859772.db2.gz MPDYQSNXADVYBR-KKUMJFAQSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179587305 915888551 /nfs/dbraw/zinc/88/85/51/915888551.db2.gz YDGDLQALNLYQCZ-OAHLLOKOSA-N 1 3 279.428 1.228 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181801285 917384115 /nfs/dbraw/zinc/38/41/15/917384115.db2.gz UANWMDNTUGASEK-HLLBOEOZSA-N 1 3 293.455 1.280 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107042258 917895730 /nfs/dbraw/zinc/89/57/30/917895730.db2.gz CVARQCVBLBAKFS-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185751019 919754030 /nfs/dbraw/zinc/75/40/30/919754030.db2.gz NOHPEOKZQLTCQP-HOTGVXAUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193630989 923819709 /nfs/dbraw/zinc/81/97/09/923819709.db2.gz QVKIGSWMXLJKMC-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193630989 923819722 /nfs/dbraw/zinc/81/97/22/923819722.db2.gz QVKIGSWMXLJKMC-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707468 924410408 /nfs/dbraw/zinc/41/04/08/924410408.db2.gz GPHZMFOKTGLAPP-VNQPRFMTSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827851 936940974 /nfs/dbraw/zinc/94/09/74/936940974.db2.gz WQWJVRTWXJDKQF-UHFFFAOYSA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827851 936940977 /nfs/dbraw/zinc/94/09/77/936940977.db2.gz WQWJVRTWXJDKQF-UHFFFAOYSA-N 1 3 287.835 1.565 20 30 CDEDHO C=CCOCC[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100902001 936944077 /nfs/dbraw/zinc/94/40/77/936944077.db2.gz ZGUSGJCJECTHIV-UHFFFAOYSA-N 1 3 297.443 1.015 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102103426 937042022 /nfs/dbraw/zinc/04/20/22/937042022.db2.gz SZIQJVXONQMZBN-ZIAGYGMSSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102103426 937042024 /nfs/dbraw/zinc/04/20/24/937042024.db2.gz SZIQJVXONQMZBN-ZIAGYGMSSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201239060 926227703 /nfs/dbraw/zinc/22/77/03/926227703.db2.gz GXRLQCDWYNXTSY-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357467 928608084 /nfs/dbraw/zinc/60/80/84/928608084.db2.gz LZKUFHWBWGIVQZ-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C#CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016830982 935624282 /nfs/dbraw/zinc/62/42/82/935624282.db2.gz YWSWEIGLRCDFQK-HUUCEWRRSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121261426 937864364 /nfs/dbraw/zinc/86/43/64/937864364.db2.gz UOSPXPQXPOZPSQ-LETWWHAPSA-N 1 3 291.439 1.223 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001121921634 937890434 /nfs/dbraw/zinc/89/04/34/937890434.db2.gz SFTBRTDBAWFNCX-ZIAGYGMSSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001121921634 937890436 /nfs/dbraw/zinc/89/04/36/937890436.db2.gz SFTBRTDBAWFNCX-ZIAGYGMSSA-N 1 3 265.401 1.271 20 30 CDEDHO N#Cc1ccc(C(F)(F)N[C@@H](N)CCC[NH3+])nc1Cl ZINC001159780294 938752099 /nfs/dbraw/zinc/75/20/99/938752099.db2.gz WYABWBNLBMHOMJ-SECBINFHSA-N 1 3 289.717 1.269 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160425955 938786505 /nfs/dbraw/zinc/78/65/05/938786505.db2.gz BBFFIVHFOPBTSK-AWEZNQCLSA-N 1 3 269.433 1.635 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166009891 939590007 /nfs/dbraw/zinc/59/00/07/939590007.db2.gz BBFFIVHFOPBTSK-CQSZACIVSA-N 1 3 269.433 1.635 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925353 939713976 /nfs/dbraw/zinc/71/39/76/939713976.db2.gz MYMISXNNVOKXFE-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659524 940624603 /nfs/dbraw/zinc/62/46/03/940624603.db2.gz FVVLYPINHLTIDU-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209669637 940624881 /nfs/dbraw/zinc/62/48/81/940624881.db2.gz RFBATQGOTQOROV-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366012 942305612 /nfs/dbraw/zinc/30/56/12/942305612.db2.gz LLSGVACTWKFLPW-CHWSQXEVSA-N 1 3 287.835 1.708 20 30 CDEDHO C=CCOCC[NH+]1CCC(NC(=O)CN(CC)CC)CC1 ZINC001229679122 942510150 /nfs/dbraw/zinc/51/01/50/942510150.db2.gz QTLOEENKOHVJNM-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229859711 942543545 /nfs/dbraw/zinc/54/35/45/942543545.db2.gz CCYHLTRRNKQCFQ-ZIAGYGMSSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H](C)N)CC2 ZINC001235577274 944206275 /nfs/dbraw/zinc/20/62/75/944206275.db2.gz ZCHCLUJBDWWQRY-UKRRQHHQSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H](C)N)CC2 ZINC001235577274 944206277 /nfs/dbraw/zinc/20/62/77/944206277.db2.gz ZCHCLUJBDWWQRY-UKRRQHHQSA-N 1 3 265.401 1.367 20 30 CDEDHO C=C[C@](C)(O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252579654 951472429 /nfs/dbraw/zinc/47/24/29/951472429.db2.gz NWWCPYGJQQPRHP-KRWDZBQOSA-N 1 3 289.423 1.820 20 30 CDEDHO N#CCOc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC001326473404 954398102 /nfs/dbraw/zinc/39/81/02/954398102.db2.gz JJOYBDYPQPAXAH-UKRRQHHQSA-N 1 3 259.353 1.806 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001331615661 957170575 /nfs/dbraw/zinc/17/05/75/957170575.db2.gz LTFSUDWHTUXVNM-STQMWFEESA-N 1 3 255.406 1.339 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc([S@](C)=O)cc1 ZINC001334326155 959028506 /nfs/dbraw/zinc/02/85/06/959028506.db2.gz LYXBSHBJXYXWMG-IBGZPJMESA-N 1 3 278.421 1.469 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc([S@](C)=O)cc1 ZINC001334326155 959028525 /nfs/dbraw/zinc/02/85/25/959028525.db2.gz LYXBSHBJXYXWMG-IBGZPJMESA-N 1 3 278.421 1.469 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001340267749 962852444 /nfs/dbraw/zinc/85/24/44/962852444.db2.gz WSROAIGWYIJWAI-CRWXNKLISA-N 1 3 265.401 1.256 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001340350577 962903172 /nfs/dbraw/zinc/90/31/72/962903172.db2.gz XYUKSGDAIYSIKR-UONOGXRCSA-N 1 3 273.380 1.587 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC001340484078 962961336 /nfs/dbraw/zinc/96/13/36/962961336.db2.gz NXMVIPCLKIKPOT-HUUCEWRRSA-N 1 3 293.455 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001341767612 963534956 /nfs/dbraw/zinc/53/49/56/963534956.db2.gz OOCURBSCMDLWCJ-CHWSQXEVSA-N 1 3 253.390 1.257 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)Nc1ccccc1F ZINC001346237969 965005697 /nfs/dbraw/zinc/00/56/97/965005697.db2.gz TYAHGHLTZBHYFW-UHFFFAOYSA-N 1 3 277.343 1.309 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001353494468 968017105 /nfs/dbraw/zinc/01/71/05/968017105.db2.gz DRWHDJUUFHHDCJ-MELADBBJSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001353494468 968017117 /nfs/dbraw/zinc/01/71/17/968017117.db2.gz DRWHDJUUFHHDCJ-MELADBBJSA-N 1 3 265.401 1.413 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426625 968312727 /nfs/dbraw/zinc/31/27/27/968312727.db2.gz RXBOHBFOVWYGHW-NRXISQOPSA-N 1 3 279.428 1.080 20 30 CDEDHO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001507154372 975356718 /nfs/dbraw/zinc/35/67/18/975356718.db2.gz VMTVRGPZWYERKX-ZIAGYGMSSA-N 1 3 267.417 1.032 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001382587963 977313013 /nfs/dbraw/zinc/31/30/13/977313013.db2.gz FVVJBUDAYZBOHA-UHFFFAOYSA-N 1 3 287.835 1.660 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001382587963 977313021 /nfs/dbraw/zinc/31/30/21/977313021.db2.gz FVVJBUDAYZBOHA-UHFFFAOYSA-N 1 3 287.835 1.660 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410297 1163277829 /nfs/dbraw/zinc/27/78/29/1163277829.db2.gz LHJDVCDISJJKNR-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410297 1163277834 /nfs/dbraw/zinc/27/78/34/1163277834.db2.gz LHJDVCDISJJKNR-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[C@@H](N)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001574961973 1171063594 /nfs/dbraw/zinc/06/35/94/1171063594.db2.gz CBJPTXUBWIZRIH-UONOGXRCSA-N 1 3 267.417 1.354 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635531927 361775090 /nfs/dbraw/zinc/77/50/90/361775090.db2.gz WRJANZQHUGGEBA-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO N#CCCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000592438310 342692694 /nfs/dbraw/zinc/69/26/94/342692694.db2.gz JHBIXRUYZLSIIN-OAHLLOKOSA-N 1 3 292.427 1.199 20 30 CDEDHO C[NH+](C)CCOc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442816121 362092917 /nfs/dbraw/zinc/09/29/17/362092917.db2.gz DEJDHAVHHOZDIH-HIFRSBDPSA-N 1 3 288.395 1.804 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247924680 346717977 /nfs/dbraw/zinc/71/79/77/346717977.db2.gz BLYGZXCEBIXAGW-ILXRZTDVSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247924680 346717979 /nfs/dbraw/zinc/71/79/79/346717979.db2.gz BLYGZXCEBIXAGW-ILXRZTDVSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247924680 346717981 /nfs/dbraw/zinc/71/79/81/346717981.db2.gz BLYGZXCEBIXAGW-ILXRZTDVSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247924680 346717983 /nfs/dbraw/zinc/71/79/83/346717983.db2.gz BLYGZXCEBIXAGW-ILXRZTDVSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000271782439 191324491 /nfs/dbraw/zinc/32/44/91/191324491.db2.gz BRSDNOYRNOIXSE-UHFFFAOYSA-N 1 3 292.427 1.198 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000271782439 191324493 /nfs/dbraw/zinc/32/44/93/191324493.db2.gz BRSDNOYRNOIXSE-UHFFFAOYSA-N 1 3 292.427 1.198 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H](C[NH3+])OC)C(C)C ZINC000278336766 359579663 /nfs/dbraw/zinc/57/96/63/359579663.db2.gz XAUYXPVYNBAMRQ-HUUCEWRRSA-N 1 3 297.443 1.165 20 30 CDEDHO C#CCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000265845907 190212616 /nfs/dbraw/zinc/21/26/16/190212616.db2.gz HHPNLSIUXMXHAJ-UHFFFAOYSA-N 1 3 288.391 1.245 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417536968 377900366 /nfs/dbraw/zinc/90/03/66/377900366.db2.gz YYJQQSFHBMEXCM-KBPBESRZSA-N 1 3 294.443 1.263 20 30 CDEDHO C[C@H](O)C[NH+]1CCC(CN(C)CC2(C#N)CC2)CC1 ZINC000332134739 391342088 /nfs/dbraw/zinc/34/20/88/391342088.db2.gz KQEMULODLGWKEQ-ZDUSSCGKSA-N 1 3 265.401 1.315 20 30 CDEDHO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787165 413664846 /nfs/dbraw/zinc/66/48/46/413664846.db2.gz FBBDWGHBOSCGQQ-HUUCEWRRSA-N 1 3 279.428 1.472 20 30 CDEDHO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787165 413664853 /nfs/dbraw/zinc/66/48/53/413664853.db2.gz FBBDWGHBOSCGQQ-HUUCEWRRSA-N 1 3 279.428 1.472 20 30 CDEDHO CCCCNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264095087 262869500 /nfs/dbraw/zinc/86/95/00/262869500.db2.gz MJYNYGWGEPXUQM-UHFFFAOYSA-N 1 3 292.427 1.831 20 30 CDEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000280821558 263064336 /nfs/dbraw/zinc/06/43/36/263064336.db2.gz NHALNKXPGBZOTC-DOMZBBRYSA-N 1 3 284.363 1.307 20 30 CDEDHO C[C@H]1CN(CCCC#N)CCN1C1CC[NH+](C)CC1 ZINC000355028411 300254349 /nfs/dbraw/zinc/25/43/49/300254349.db2.gz GOWXISDLKQYJRF-AWEZNQCLSA-N 1 3 264.417 1.390 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000171734778 329079472 /nfs/dbraw/zinc/07/94/72/329079472.db2.gz IRHNLSIPKVGWOB-CYBMUJFWSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000171734778 329079474 /nfs/dbraw/zinc/07/94/74/329079474.db2.gz IRHNLSIPKVGWOB-CYBMUJFWSA-N 1 3 294.443 1.419 20 30 CDEDHO C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000262504808 330018672 /nfs/dbraw/zinc/01/86/72/330018672.db2.gz ZOLHWYJYOURZTB-GJZGRUSLSA-N 1 3 294.443 1.301 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCOC(C)(C)C1 ZINC000263026490 330039226 /nfs/dbraw/zinc/03/92/26/330039226.db2.gz ASMKNLQRFZTRDY-KGLIPLIRSA-N 1 3 296.459 1.580 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1=CCCCC1 ZINC000263153249 330046138 /nfs/dbraw/zinc/04/61/38/330046138.db2.gz PSOQHTDLRYRSRX-AWEZNQCLSA-N 1 3 264.417 1.875 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)[C@H](C)C1 ZINC000424148400 330295065 /nfs/dbraw/zinc/29/50/65/330295065.db2.gz UIOMWHMAGOXNPJ-RDBSUJKOSA-N 1 3 280.416 1.196 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)[C@H](C)C1 ZINC000424148400 330295066 /nfs/dbraw/zinc/29/50/66/330295066.db2.gz UIOMWHMAGOXNPJ-RDBSUJKOSA-N 1 3 280.416 1.196 20 30 CDEDHO C#CCNC(=O)CCNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000491706484 332299287 /nfs/dbraw/zinc/29/92/87/332299287.db2.gz KIUOSTAGBVLQOV-UHFFFAOYSA-N 1 3 299.418 1.512 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000552919484 334350609 /nfs/dbraw/zinc/35/06/09/334350609.db2.gz GPEHNMDNTMTMFF-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001715355986 1179639027 /nfs/dbraw/zinc/63/90/27/1179639027.db2.gz OTSIYCCEIPXSPS-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000766940191 576147511 /nfs/dbraw/zinc/14/75/11/576147511.db2.gz MCRYQDICJBOMLJ-UHFFFAOYSA-N 1 3 277.456 1.890 20 30 CDEDHO C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192794 613023830 /nfs/dbraw/zinc/02/38/30/613023830.db2.gz SOKHUOPIQHIFDV-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC)C2)CC1 ZINC000981539869 613131547 /nfs/dbraw/zinc/13/15/47/613131547.db2.gz ACRKBHYMLDNTMV-HOTGVXAUSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333896 613224797 /nfs/dbraw/zinc/22/47/97/613224797.db2.gz KQDNPDLEMYCYBH-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971730531 613285258 /nfs/dbraw/zinc/28/52/58/613285258.db2.gz QQQPFXAAXDHWOF-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971730531 613285260 /nfs/dbraw/zinc/28/52/60/613285260.db2.gz QQQPFXAAXDHWOF-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO C[NH+]1CCC(CN2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000893597662 617639011 /nfs/dbraw/zinc/63/90/11/617639011.db2.gz MZQFKNBHHAZBKO-UHFFFAOYSA-N 1 3 299.422 1.417 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911824373 629552628 /nfs/dbraw/zinc/55/26/28/629552628.db2.gz NNSJEGWFDHQFDA-AGIUHOORSA-N 1 3 253.390 1.256 20 30 CDEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088381545 1160391706 /nfs/dbraw/zinc/39/17/06/1160391706.db2.gz GYABKJMOGGIEAN-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001753084735 1185049827 /nfs/dbraw/zinc/04/98/27/1185049827.db2.gz BEKCGPNGZMSBTF-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001753084735 1185049833 /nfs/dbraw/zinc/04/98/33/1185049833.db2.gz BEKCGPNGZMSBTF-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001753794057 1185337402 /nfs/dbraw/zinc/33/74/02/1185337402.db2.gz JXIQMVHMJOJOOZ-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001754084483 1185453654 /nfs/dbraw/zinc/45/36/54/1185453654.db2.gz HFNICYCMMQXAQV-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO CC#CCNC/C=C\CNC(=O)CCC[NH+]1CCCC1 ZINC001754209378 1185505387 /nfs/dbraw/zinc/50/53/87/1185505387.db2.gz HQVSHXJNDMWZAP-PLNGDYQASA-N 1 3 277.412 1.148 20 30 CDEDHO C=CCCC[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001755861894 1186093629 /nfs/dbraw/zinc/09/36/29/1186093629.db2.gz MQNYTQWNOGMMRO-FHERZECASA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526216 726282002 /nfs/dbraw/zinc/28/20/02/726282002.db2.gz VYXUTCPAPSRRMI-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526216 726282006 /nfs/dbraw/zinc/28/20/06/726282006.db2.gz VYXUTCPAPSRRMI-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000066245715 727150002 /nfs/dbraw/zinc/15/00/02/727150002.db2.gz DSRRCAGCGINYAH-JSGCOSHPSA-N 1 3 252.406 1.587 20 30 CDEDHO CCCCCCCCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019046 726066693 /nfs/dbraw/zinc/06/66/93/726066693.db2.gz DDQZUEDRBGBVIA-HNNXBMFYSA-N 1 3 284.448 1.527 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385897 726349758 /nfs/dbraw/zinc/34/97/58/726349758.db2.gz ZEFFDRKAPMZRJX-INIZCTEOSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385897 726349761 /nfs/dbraw/zinc/34/97/61/726349761.db2.gz ZEFFDRKAPMZRJX-INIZCTEOSA-N 1 3 293.455 1.968 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022360662 726366124 /nfs/dbraw/zinc/36/61/24/726366124.db2.gz DGVZHJAUTUGQEO-BETUJISGSA-N 1 3 297.830 1.604 20 30 CDEDHO C#CC[NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC000999877553 726395160 /nfs/dbraw/zinc/39/51/60/726395160.db2.gz MIHBGJVJPIEGGN-UHFFFAOYSA-N 1 3 299.418 1.574 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCSCC1)N1CCC[C@H](C)C1 ZINC000261990278 726897111 /nfs/dbraw/zinc/89/71/11/726897111.db2.gz LQIWCIHUWSAHRW-QWHCGFSZSA-N 1 3 284.473 1.470 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723398 726904583 /nfs/dbraw/zinc/90/45/83/726904583.db2.gz OWLCEAHNBOZNDS-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723398 726904591 /nfs/dbraw/zinc/90/45/91/726904591.db2.gz OWLCEAHNBOZNDS-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C[NH+]=C(NC[C@H](C)N1CCC[C@@H](C)C1)NC1CC1 ZINC000103337918 726909633 /nfs/dbraw/zinc/90/96/33/726909633.db2.gz DDIBFJUWQMBZGM-NEPJUHHUSA-N 1 3 252.406 1.434 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036227441 726921776 /nfs/dbraw/zinc/92/17/76/726921776.db2.gz XTYNNMPNJSCTIE-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001037936174 727006533 /nfs/dbraw/zinc/00/65/33/727006533.db2.gz UMQCEBXAIFPITJ-DZGCQCFKSA-N 1 3 290.411 1.745 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712283 727253534 /nfs/dbraw/zinc/25/35/34/727253534.db2.gz GPZWZPROIOHFFV-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712283 727253537 /nfs/dbraw/zinc/25/35/37/727253537.db2.gz GPZWZPROIOHFFV-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465612 727376918 /nfs/dbraw/zinc/37/69/18/727376918.db2.gz YBNAASWYTWRNOS-HNNXBMFYSA-N 1 3 289.423 1.076 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591713 727417557 /nfs/dbraw/zinc/41/75/57/727417557.db2.gz STNRVBHVSWWEOH-JHEVNIALSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020591713 727417559 /nfs/dbraw/zinc/41/75/59/727417559.db2.gz STNRVBHVSWWEOH-JHEVNIALSA-N 1 3 285.819 1.173 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995895931 727445069 /nfs/dbraw/zinc/44/50/69/727445069.db2.gz NEDZJEJIPQCBTR-KGLIPLIRSA-N 1 3 279.428 1.339 20 30 CDEDHO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016830981 727462179 /nfs/dbraw/zinc/46/21/79/727462179.db2.gz YWSWEIGLRCDFQK-GJZGRUSLSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441583 727836212 /nfs/dbraw/zinc/83/62/12/727836212.db2.gz GNVAROCWCAYYAP-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441583 727836214 /nfs/dbraw/zinc/83/62/14/727836214.db2.gz GNVAROCWCAYYAP-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1ccc(C#N)cn1 ZINC000925893135 728157683 /nfs/dbraw/zinc/15/76/83/728157683.db2.gz LQNVXTVSTLYCQQ-JSGCOSHPSA-N 1 3 273.384 1.343 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001574908386 1167642478 /nfs/dbraw/zinc/64/24/78/1167642478.db2.gz LWLJCZQPNJTPDN-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001574908386 1167642481 /nfs/dbraw/zinc/64/24/81/1167642481.db2.gz LWLJCZQPNJTPDN-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176760276 914262554 /nfs/dbraw/zinc/26/25/54/914262554.db2.gz SOHJSARZDZCVEB-OAHLLOKOSA-N 1 3 281.444 1.615 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591165 902718966 /nfs/dbraw/zinc/71/89/66/902718966.db2.gz FJUJSBHUQVJTRR-HZPDHXFCSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028591165 902718980 /nfs/dbraw/zinc/71/89/80/902718980.db2.gz FJUJSBHUQVJTRR-HZPDHXFCSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963822 921244274 /nfs/dbraw/zinc/24/42/74/921244274.db2.gz SGPAUPHTTRYFJZ-UONOGXRCSA-N 1 3 277.412 1.047 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001088375570 907027070 /nfs/dbraw/zinc/02/70/70/907027070.db2.gz KUAHBOTYUGDBQT-JKSUJKDBSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC)CC2)CC1 ZINC001168320831 909022226 /nfs/dbraw/zinc/02/22/26/909022226.db2.gz RUXLICYLQSBDOL-UHFFFAOYSA-N 1 3 291.439 1.228 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835641 910018783 /nfs/dbraw/zinc/01/87/83/910018783.db2.gz GXBNVQNZBSNKHB-HIFRSBDPSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484101602 915434168 /nfs/dbraw/zinc/43/41/68/915434168.db2.gz MRDYUNADXLOISK-RDJZCZTQSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182750052 918087198 /nfs/dbraw/zinc/08/71/98/918087198.db2.gz HSICSNWMHGURBW-CZUORRHYSA-N 1 3 290.411 1.603 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240642 918401853 /nfs/dbraw/zinc/40/18/53/918401853.db2.gz ODIWKSKLUVNQRJ-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240642 918401861 /nfs/dbraw/zinc/40/18/61/918401861.db2.gz ODIWKSKLUVNQRJ-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203456347 918699859 /nfs/dbraw/zinc/69/98/59/918699859.db2.gz VYXSKYHKMCYKJF-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185203231 919476362 /nfs/dbraw/zinc/47/63/62/919476362.db2.gz DYOSVCFAHMUGDJ-UONOGXRCSA-N 1 3 290.411 1.603 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185336736 919555674 /nfs/dbraw/zinc/55/56/74/919555674.db2.gz KHIDCMIYBZDWJZ-LSDHHAIUSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185536740 919664427 /nfs/dbraw/zinc/66/44/27/919664427.db2.gz OXWJNBWNZAYENJ-LSDHHAIUSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999402653 919752951 /nfs/dbraw/zinc/75/29/51/919752951.db2.gz IIHKYAKCAPJELO-NFOMZHRRSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843126 920684051 /nfs/dbraw/zinc/68/40/51/920684051.db2.gz UUIGPLYQRDWOCR-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675782 922132948 /nfs/dbraw/zinc/13/29/48/922132948.db2.gz WWNZWBNKFODJFW-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675782 922132956 /nfs/dbraw/zinc/13/29/56/922132956.db2.gz WWNZWBNKFODJFW-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353852 923025477 /nfs/dbraw/zinc/02/54/77/923025477.db2.gz INFZAIMHPODGBA-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192353852 923025487 /nfs/dbraw/zinc/02/54/87/923025487.db2.gz INFZAIMHPODGBA-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266076 924140081 /nfs/dbraw/zinc/14/00/81/924140081.db2.gz KENABMJITRBQSI-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266076 924140094 /nfs/dbraw/zinc/14/00/94/924140094.db2.gz KENABMJITRBQSI-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525257 937063092 /nfs/dbraw/zinc/06/30/92/937063092.db2.gz SZBSQVGAHYTCNW-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525257 937063096 /nfs/dbraw/zinc/06/30/96/937063096.db2.gz SZBSQVGAHYTCNW-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475458 930219206 /nfs/dbraw/zinc/21/92/06/930219206.db2.gz APXRFLOBJVKMLR-HUUCEWRRSA-N 1 3 295.471 1.861 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979324 930579479 /nfs/dbraw/zinc/57/94/79/930579479.db2.gz FLBZHFRVBIVRFU-ZIAGYGMSSA-N 1 3 267.417 1.224 20 30 CDEDHO CCOCCCNC(=[NH2+])NCCN1CCCCCC1 ZINC000104168396 931322736 /nfs/dbraw/zinc/32/27/36/931322736.db2.gz MYBLGCLAMXXVRF-UHFFFAOYSA-N 1 3 270.421 1.193 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001275828558 932071246 /nfs/dbraw/zinc/07/12/46/932071246.db2.gz AFOXJHMNUPGPOL-ROUUACIJSA-N 1 3 298.434 1.768 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001275828558 932071254 /nfs/dbraw/zinc/07/12/54/932071254.db2.gz AFOXJHMNUPGPOL-ROUUACIJSA-N 1 3 298.434 1.768 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171254344 932141931 /nfs/dbraw/zinc/14/19/31/932141931.db2.gz RDBNXVBSOWESLU-ZFWWWQNUSA-N 1 3 279.428 1.224 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246659077 932195039 /nfs/dbraw/zinc/19/50/39/932195039.db2.gz QUDIWOJSHCWYKA-UHOFOFEASA-N 1 3 255.365 1.912 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246659077 932195041 /nfs/dbraw/zinc/19/50/41/932195041.db2.gz QUDIWOJSHCWYKA-UHOFOFEASA-N 1 3 255.365 1.912 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206653728 937646794 /nfs/dbraw/zinc/64/67/94/937646794.db2.gz OMZAXQNSFOKIDK-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434371 938626045 /nfs/dbraw/zinc/62/60/45/938626045.db2.gz IMFLIONXIKQWHW-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159925512 938760630 /nfs/dbraw/zinc/76/06/30/938760630.db2.gz RSOUDCRUOFSVTA-AWEZNQCLSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412948 938901456 /nfs/dbraw/zinc/90/14/56/938901456.db2.gz MWUMCSIEFDQWOC-AJNGGQMLSA-N 1 3 279.428 1.646 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744267 939634513 /nfs/dbraw/zinc/63/45/13/939634513.db2.gz OGHCCQROQHHNCY-UHFFFAOYSA-N 1 3 269.433 1.636 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929111 940113705 /nfs/dbraw/zinc/11/37/05/940113705.db2.gz UZDMNZDQYIILJS-UHFFFAOYSA-N 1 3 265.401 1.096 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208013676 940278310 /nfs/dbraw/zinc/27/83/10/940278310.db2.gz JAZIVAVBKKXGQV-HOTGVXAUSA-N 1 3 291.439 1.463 20 30 CDEDHO N#Cc1sccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218624509 941247192 /nfs/dbraw/zinc/24/71/92/941247192.db2.gz KEPFCJVZKRPAJY-QMMMGPOBSA-N 1 3 252.343 1.015 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218870821 941282055 /nfs/dbraw/zinc/28/20/55/941282055.db2.gz BTWVFMFTPAFGOL-RISCZKNCSA-N 1 3 274.368 1.708 20 30 CDEDHO CC(C)C[C@H](C#N)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220700806 941465080 /nfs/dbraw/zinc/46/50/80/941465080.db2.gz OXJXPXGFSIIMLJ-OLZOCXBDSA-N 1 3 268.405 1.100 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226824054 942077740 /nfs/dbraw/zinc/07/77/40/942077740.db2.gz JLTQFCOBGDQSHQ-HUUCEWRRSA-N 1 3 277.412 1.121 20 30 CDEDHO CC[C@@H](CC#N)NCCCOCCOCCC[NH3+] ZINC001255156394 947756489 /nfs/dbraw/zinc/75/64/89/947756489.db2.gz OPDYSISWZHFBMW-ZDUSSCGKSA-N 1 3 257.378 1.040 20 30 CDEDHO N#C[C@@H]1C[C@H](N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246603831 948337490 /nfs/dbraw/zinc/33/74/90/948337490.db2.gz MPHBPRYSFPZWEA-BBWFWOEESA-N 1 3 290.455 1.876 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC001340904777 963180886 /nfs/dbraw/zinc/18/08/86/963180886.db2.gz BIXUYLAYFDFIBL-AWEZNQCLSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001378582386 975403435 /nfs/dbraw/zinc/40/34/35/975403435.db2.gz TZPAEKDJAXFENC-ZYHUDNBSSA-N 1 3 275.824 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001402536486 976343162 /nfs/dbraw/zinc/34/31/62/976343162.db2.gz NBBTZIQQUFDBHH-JOCQHMNTSA-N 1 3 287.835 1.708 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001402536486 976343179 /nfs/dbraw/zinc/34/31/79/976343179.db2.gz NBBTZIQQUFDBHH-JOCQHMNTSA-N 1 3 287.835 1.708 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001391940824 977156521 /nfs/dbraw/zinc/15/65/21/977156521.db2.gz VUASKWQXJXSKHH-RYUDHWBXSA-N 1 3 287.835 1.423 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000442765385 362088698 /nfs/dbraw/zinc/08/86/98/362088698.db2.gz JKUUMHCNPJDBRB-IIAWOOMASA-N 1 3 277.412 1.769 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595984420 343211389 /nfs/dbraw/zinc/21/13/89/343211389.db2.gz SGVMQLMVZHUEQP-HNNXBMFYSA-N 1 3 292.427 1.246 20 30 CDEDHO N#Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596649731 343370728 /nfs/dbraw/zinc/37/07/28/343370728.db2.gz GIEOPUGNEPLTIH-RCCFBDPRSA-N 1 3 299.418 1.847 20 30 CDEDHO CC[C@@H](C)NC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264085465 362962818 /nfs/dbraw/zinc/96/28/18/362962818.db2.gz JGZRGBMXMXJFNO-GFCCVEGCSA-N 1 3 262.401 1.951 20 30 CDEDHO CCCCNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264122955 362973736 /nfs/dbraw/zinc/97/37/36/362973736.db2.gz RJULRGTVLRVNGA-UHFFFAOYSA-N 1 3 292.427 1.831 20 30 CDEDHO C[C@@H]1C[N@H+](CCCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000374326666 370689163 /nfs/dbraw/zinc/68/91/63/370689163.db2.gz UAGCAAKEVJCVLG-HUUCEWRRSA-N 1 3 264.417 1.248 20 30 CDEDHO C[C@@H]1C[N@@H+](CCCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000374326666 370689167 /nfs/dbraw/zinc/68/91/67/370689167.db2.gz UAGCAAKEVJCVLG-HUUCEWRRSA-N 1 3 264.417 1.248 20 30 CDEDHO COc1ccccc1CNC(=[NH2+])NCCCN(C)C ZINC000170905083 370201568 /nfs/dbraw/zinc/20/15/68/370201568.db2.gz FZHWOETWQGUORD-UHFFFAOYSA-N 1 3 264.373 1.051 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417528953 377877297 /nfs/dbraw/zinc/87/72/97/377877297.db2.gz PLVPMCBDANSNHM-CQSZACIVSA-N 1 3 282.432 1.309 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000417539019 377913682 /nfs/dbraw/zinc/91/36/82/377913682.db2.gz NOTJCGQQWHDYDD-CQSZACIVSA-N 1 3 280.416 1.160 20 30 CDEDHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339053780 391247644 /nfs/dbraw/zinc/24/76/44/391247644.db2.gz IUDKSKUIIXYHFV-HOCLYGCPSA-N 1 3 278.444 1.636 20 30 CDEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339053780 391247645 /nfs/dbraw/zinc/24/76/45/391247645.db2.gz IUDKSKUIIXYHFV-HOCLYGCPSA-N 1 3 278.444 1.636 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000417072807 391342750 /nfs/dbraw/zinc/34/27/50/391342750.db2.gz XHTQWWOGAKENJI-CQSZACIVSA-N 1 3 296.459 1.722 20 30 CDEDHO C=C(C)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000334363636 392109388 /nfs/dbraw/zinc/10/93/88/392109388.db2.gz LWBFPSINAKAPPS-HUUCEWRRSA-N 1 3 251.418 1.520 20 30 CDEDHO CNCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423199378 397602271 /nfs/dbraw/zinc/60/22/71/397602271.db2.gz JYRRLLSDRNJQEW-UHFFFAOYSA-N 1 3 272.396 1.726 20 30 CDEDHO C[NH2+]CCCNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423199378 397602272 /nfs/dbraw/zinc/60/22/72/397602272.db2.gz JYRRLLSDRNJQEW-UHFFFAOYSA-N 1 3 272.396 1.726 20 30 CDEDHO CN(C)Cc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000273377644 263016347 /nfs/dbraw/zinc/01/63/47/263016347.db2.gz WUBAPBLWBWVXAO-UHFFFAOYSA-N 1 3 260.385 1.657 20 30 CDEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000292375102 263131648 /nfs/dbraw/zinc/13/16/48/263131648.db2.gz MOSDLEGGOGGXKB-BBRMVZONSA-N 1 3 298.390 1.554 20 30 CDEDHO CN(CC#CC[N@H+](C)C1CCOCC1)C1CCOCC1 ZINC000560160370 327287582 /nfs/dbraw/zinc/28/75/82/327287582.db2.gz XEOYEMDRQIQHCE-UHFFFAOYSA-N 1 3 280.412 1.211 20 30 CDEDHO CN(CC#CC[N@@H+](C)C1CCOCC1)C1CCOCC1 ZINC000560160370 327287583 /nfs/dbraw/zinc/28/75/83/327287583.db2.gz XEOYEMDRQIQHCE-UHFFFAOYSA-N 1 3 280.412 1.211 20 30 CDEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN1C1CCCCC1 ZINC000262667502 330025512 /nfs/dbraw/zinc/02/55/12/330025512.db2.gz PJRHPOAMPVWKEE-AWEZNQCLSA-N 1 3 264.417 1.675 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CCC1 ZINC000263175008 330047364 /nfs/dbraw/zinc/04/73/64/330047364.db2.gz SPHJFPFBPYBCTI-LBPRGKRZSA-N 1 3 263.389 1.069 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCC1(C)C ZINC000263190203 330048244 /nfs/dbraw/zinc/04/82/44/330048244.db2.gz YDMMMXRZWLOXPO-NEPJUHHUSA-N 1 3 252.406 1.564 20 30 CDEDHO C=CCN(CC=C)[C@@H](CN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422825751 330156468 /nfs/dbraw/zinc/15/64/68/330156468.db2.gz BAKFWAIADPBAOI-ZBFHGGJFSA-N 1 3 265.445 1.883 20 30 CDEDHO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000424177148 330317538 /nfs/dbraw/zinc/31/75/38/330317538.db2.gz POSVNEANDRXGTL-CYBMUJFWSA-N 1 3 288.351 1.128 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](CC)CCC)CC1 ZINC000491732468 332313775 /nfs/dbraw/zinc/31/37/75/332313775.db2.gz BPIWFHDGKJXDHE-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000491732468 332313776 /nfs/dbraw/zinc/31/37/76/332313776.db2.gz BPIWFHDGKJXDHE-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO CN1CC[NH+]=C1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261543087 334195753 /nfs/dbraw/zinc/19/57/53/334195753.db2.gz HKIDOARYZRMXMC-HNNXBMFYSA-N 1 3 272.396 1.400 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001755025209 1159504758 /nfs/dbraw/zinc/50/47/58/1159504758.db2.gz QESULWXAXSCAHO-GJZGRUSLSA-N 1 3 297.418 1.270 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001755025209 1159504764 /nfs/dbraw/zinc/50/47/64/1159504764.db2.gz QESULWXAXSCAHO-GJZGRUSLSA-N 1 3 297.418 1.270 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001755042073 1159511074 /nfs/dbraw/zinc/51/10/74/1159511074.db2.gz ITWCJOOHTRNXTG-MRXNPFEDSA-N 1 3 293.455 1.522 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001755042073 1159511082 /nfs/dbraw/zinc/51/10/82/1159511082.db2.gz ITWCJOOHTRNXTG-MRXNPFEDSA-N 1 3 293.455 1.522 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000764575304 575921656 /nfs/dbraw/zinc/92/16/56/575921656.db2.gz JCSORDMPZQAJSJ-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(CN(C)C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000763965746 576768869 /nfs/dbraw/zinc/76/88/69/576768869.db2.gz YHVSNDAFNZCWQH-UHFFFAOYSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000945180117 613131171 /nfs/dbraw/zinc/13/11/71/613131171.db2.gz KQLUPDMSFVFMAU-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000945180117 613131173 /nfs/dbraw/zinc/13/11/73/613131173.db2.gz KQLUPDMSFVFMAU-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388852 613162075 /nfs/dbraw/zinc/16/20/75/613162075.db2.gz LDMPOEDKXSIPQT-BZUAXINKSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948388852 613162078 /nfs/dbraw/zinc/16/20/78/613162078.db2.gz LDMPOEDKXSIPQT-BZUAXINKSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333897 613224731 /nfs/dbraw/zinc/22/47/31/613224731.db2.gz KQDNPDLEMYCYBH-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947979648 613535528 /nfs/dbraw/zinc/53/55/28/613535528.db2.gz JMJZPBZMPKDLTK-OCCSQVGLSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947979648 613535530 /nfs/dbraw/zinc/53/55/30/613535530.db2.gz JMJZPBZMPKDLTK-OCCSQVGLSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981780913 613679229 /nfs/dbraw/zinc/67/92/29/613679229.db2.gz RZDQAFSZKPCLOY-HUUCEWRRSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981780913 613679230 /nfs/dbraw/zinc/67/92/30/613679230.db2.gz RZDQAFSZKPCLOY-HUUCEWRRSA-N 1 3 291.439 1.437 20 30 CDEDHO CC[C@H](CNC(=[NH2+])NCC1CCC1)N1CCCC1 ZINC000104166886 617978852 /nfs/dbraw/zinc/97/88/52/617978852.db2.gz WLAVRZGMGFDPSM-CYBMUJFWSA-N 1 3 252.406 1.565 20 30 CDEDHO N#CC1(CCCC[N@@H+]2CCCO[C@@H](CN)C2)CCC1 ZINC000903759961 626081621 /nfs/dbraw/zinc/08/16/21/626081621.db2.gz CNBCACYGVAGVPE-AWEZNQCLSA-N 1 3 265.401 1.900 20 30 CDEDHO N#CC1(CCCC[N@H+]2CCCO[C@@H](CN)C2)CCC1 ZINC000903759961 626081624 /nfs/dbraw/zinc/08/16/24/626081624.db2.gz CNBCACYGVAGVPE-AWEZNQCLSA-N 1 3 265.401 1.900 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000911825996 629554268 /nfs/dbraw/zinc/55/42/68/629554268.db2.gz PLNJVLAPKFNYNC-FRRDWIJNSA-N 1 3 253.390 1.256 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114443106 1165045334 /nfs/dbraw/zinc/04/53/34/1165045334.db2.gz VJILQBWRUUXIGS-YJNKXOJESA-N 1 3 279.428 1.195 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114443106 1165045339 /nfs/dbraw/zinc/04/53/39/1165045339.db2.gz VJILQBWRUUXIGS-YJNKXOJESA-N 1 3 279.428 1.195 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001574851581 1171023603 /nfs/dbraw/zinc/02/36/03/1171023603.db2.gz HWHISEHIMXLCNK-GARJFASQSA-N 1 3 273.808 1.301 20 30 CDEDHO CN(CCc1cccc(C#N)c1)CCC1([NH3+])CCOCC1 ZINC001578478815 1171930109 /nfs/dbraw/zinc/93/01/09/1171930109.db2.gz UPWDYDPGHJVHHZ-UHFFFAOYSA-N 1 3 287.407 1.931 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001661614241 1172417321 /nfs/dbraw/zinc/41/73/21/1172417321.db2.gz GGCDFRJVSITMII-HZSPNIEDSA-N 1 3 267.417 1.530 20 30 CDEDHO C[NH+]=C(NC[C@@H]1CCOC1)NCC1(N(C)C)CCCCC1 ZINC000262692048 1182223159 /nfs/dbraw/zinc/22/31/59/1182223159.db2.gz CKPGWJRGDLSGLM-AWEZNQCLSA-N 1 3 296.459 1.452 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753110462 1185066444 /nfs/dbraw/zinc/06/64/44/1185066444.db2.gz NTORVFGKZIEUAY-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001753301837 1185147345 /nfs/dbraw/zinc/14/73/45/1185147345.db2.gz OXKKBOMKDYAQBS-MRXNPFEDSA-N 1 3 287.407 1.409 20 30 CDEDHO C=CC[NH+]1CCC(CCNC(=O)CN(C)CCC)CC1 ZINC001753599321 1185262190 /nfs/dbraw/zinc/26/21/90/1185262190.db2.gz LFTYZPJTDPVJPT-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001755029753 1185790712 /nfs/dbraw/zinc/79/07/12/1185790712.db2.gz PXFDTBDZNAYLGE-JKSUJKDBSA-N 1 3 293.455 1.711 20 30 CDEDHO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001755498889 1185972629 /nfs/dbraw/zinc/97/26/29/1185972629.db2.gz PRMLEDCRYRSHHJ-HUUCEWRRSA-N 1 3 281.444 1.920 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC000996315663 728830054 /nfs/dbraw/zinc/83/00/54/728830054.db2.gz RUFHBCOHDZRKAY-UONOGXRCSA-N 1 3 281.444 1.729 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOCC(C)C ZINC000303770001 728868746 /nfs/dbraw/zinc/86/87/46/728868746.db2.gz BJVTUBRHOMBJSV-AWEZNQCLSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849019724 729378073 /nfs/dbraw/zinc/37/80/73/729378073.db2.gz FSRCSRXTDWWWNS-CYBMUJFWSA-N 1 3 252.406 1.941 20 30 CDEDHO C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034277912 728887544 /nfs/dbraw/zinc/88/75/44/728887544.db2.gz UGNUJVWADQCYAT-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034277912 728887547 /nfs/dbraw/zinc/88/75/47/728887547.db2.gz UGNUJVWADQCYAT-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034277912 728887548 /nfs/dbraw/zinc/88/75/48/728887548.db2.gz UGNUJVWADQCYAT-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034277912 728887549 /nfs/dbraw/zinc/88/75/49/728887549.db2.gz UGNUJVWADQCYAT-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022717465 728430913 /nfs/dbraw/zinc/43/09/13/728430913.db2.gz XTRJHGGLQSMNDZ-BETUJISGSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057962 728486378 /nfs/dbraw/zinc/48/63/78/728486378.db2.gz TYJBETLVQQHCEY-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057962 728486381 /nfs/dbraw/zinc/48/63/81/728486381.db2.gz TYJBETLVQQHCEY-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036974 728496216 /nfs/dbraw/zinc/49/62/16/728496216.db2.gz SVMQDYSBUGQFPX-UHFFFAOYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050545410 728978107 /nfs/dbraw/zinc/97/81/07/728978107.db2.gz FNDGSDSNCAJQTD-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263506 729284790 /nfs/dbraw/zinc/28/47/90/729284790.db2.gz QRVNVTGGTFQZHK-CQSZACIVSA-N 1 3 277.412 1.239 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997034719 729321101 /nfs/dbraw/zinc/32/11/01/729321101.db2.gz CHWJHLHBCBPXQW-UHFFFAOYSA-N 1 3 262.357 1.109 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046332962 729460906 /nfs/dbraw/zinc/46/09/06/729460906.db2.gz UCDLISIXCOIHKS-NFAWXSAZSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046332962 729460911 /nfs/dbraw/zinc/46/09/11/729460911.db2.gz UCDLISIXCOIHKS-NFAWXSAZSA-N 1 3 265.401 1.093 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC1CC1 ZINC000304750067 729475708 /nfs/dbraw/zinc/47/57/08/729475708.db2.gz ICFAESYJBXRAIJ-CYBMUJFWSA-N 1 3 252.406 1.565 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015609217 729519316 /nfs/dbraw/zinc/51/93/16/729519316.db2.gz ZKBCYRVZBSGNOF-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015609217 729519319 /nfs/dbraw/zinc/51/93/19/729519319.db2.gz ZKBCYRVZBSGNOF-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027575705 729811985 /nfs/dbraw/zinc/81/19/85/729811985.db2.gz CJRZUGATQXBHJJ-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027575705 729811987 /nfs/dbraw/zinc/81/19/87/729811987.db2.gz CJRZUGATQXBHJJ-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001039294575 729933909 /nfs/dbraw/zinc/93/39/09/729933909.db2.gz KEUIAKHTCDIZRV-UYTSQGDYSA-N 1 3 291.439 1.462 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000262011264 730059741 /nfs/dbraw/zinc/05/97/41/730059741.db2.gz UIDHZJQYSSXBMM-OLZOCXBDSA-N 1 3 254.422 1.810 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001074878313 730375464 /nfs/dbraw/zinc/37/54/64/730375464.db2.gz MVKIEXBYVNFTJR-ILXRZTDVSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211666521 900449274 /nfs/dbraw/zinc/44/92/74/900449274.db2.gz FMIXQRDFKAKPJV-DLBZAZTESA-N 1 3 299.418 1.156 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168344367 909132594 /nfs/dbraw/zinc/13/25/94/909132594.db2.gz AJBRUYZGGNCKKS-UHFFFAOYSA-N 1 3 279.428 1.226 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071351 909215067 /nfs/dbraw/zinc/21/50/67/909215067.db2.gz KFCAQZRDUATIEA-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071351 909215079 /nfs/dbraw/zinc/21/50/79/909215079.db2.gz KFCAQZRDUATIEA-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303711686 935040693 /nfs/dbraw/zinc/04/06/93/935040693.db2.gz PMTVWGVWXAIPTH-CYBMUJFWSA-N 1 3 276.384 1.906 20 30 CDEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303891317 935047551 /nfs/dbraw/zinc/04/75/51/935047551.db2.gz QPPLJOJBJJAKII-KGLIPLIRSA-N 1 3 284.448 1.580 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183510260 918514229 /nfs/dbraw/zinc/51/42/29/918514229.db2.gz RGSAMJQNKZGYSI-GDBMZVCRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203005215 936681476 /nfs/dbraw/zinc/68/14/76/936681476.db2.gz NRCFQBILENDIDD-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896461 936712021 /nfs/dbraw/zinc/71/20/21/936712021.db2.gz PVVOUKWIVJPOAT-UHFFFAOYSA-N 1 3 289.423 1.335 20 30 CDEDHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000923295829 923720786 /nfs/dbraw/zinc/72/07/86/923720786.db2.gz IOAGZDJYGZEANG-ZBFHGGJFSA-N 1 3 291.395 1.261 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830275 925448615 /nfs/dbraw/zinc/44/86/15/925448615.db2.gz QEIAXBBOPVJKAU-RBSFLKMASA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830275 925448620 /nfs/dbraw/zinc/44/86/20/925448620.db2.gz QEIAXBBOPVJKAU-RBSFLKMASA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052987 926193446 /nfs/dbraw/zinc/19/34/46/926193446.db2.gz IPJDWJJCHVPEMV-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532414 937064278 /nfs/dbraw/zinc/06/42/78/937064278.db2.gz KUCMQIMTFMPZHG-TZMCWYRMSA-N 1 3 290.411 1.521 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532414 937064280 /nfs/dbraw/zinc/06/42/80/937064280.db2.gz KUCMQIMTFMPZHG-TZMCWYRMSA-N 1 3 290.411 1.521 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108802922 928638260 /nfs/dbraw/zinc/63/82/60/928638260.db2.gz RBFHVURYSYEUGJ-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115160127 937330851 /nfs/dbraw/zinc/33/08/51/937330851.db2.gz OWXKSSLGQBNYQF-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115160127 937330856 /nfs/dbraw/zinc/33/08/56/937330856.db2.gz OWXKSSLGQBNYQF-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298452 937345638 /nfs/dbraw/zinc/34/56/38/937345638.db2.gz QLCSPSCFEAHEGQ-FOLVSLTJSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031470 930610099 /nfs/dbraw/zinc/61/00/99/930610099.db2.gz LPDXVSRHDMRHNP-GHMZBOCLSA-N 1 3 264.373 1.320 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066458 937629478 /nfs/dbraw/zinc/62/94/78/937629478.db2.gz JTBTWUXKGGZYNI-ZIAGYGMSSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066458 937629479 /nfs/dbraw/zinc/62/94/79/937629479.db2.gz JTBTWUXKGGZYNI-ZIAGYGMSSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838951 932795605 /nfs/dbraw/zinc/79/56/05/932795605.db2.gz JNGRSCGQNBTUFA-UHFFFAOYSA-N 1 3 291.439 1.583 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304706546 935085828 /nfs/dbraw/zinc/08/58/28/935085828.db2.gz KWYPKWOCVBODFK-OLZOCXBDSA-N 1 3 284.448 1.436 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC001121911266 937889759 /nfs/dbraw/zinc/88/97/59/937889759.db2.gz RUXDEMQTMIWYBA-HUUCEWRRSA-N 1 3 281.444 1.908 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157082028 938451735 /nfs/dbraw/zinc/45/17/35/938451735.db2.gz ZZOLAOBHIFDPCO-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203516296 939690400 /nfs/dbraw/zinc/69/04/00/939690400.db2.gz XJWSSIJUUHMJEG-KGLIPLIRSA-N 1 3 279.428 1.531 20 30 CDEDHO C#CCCCN(CCC[NH+](C)C)CCC(=O)OC ZINC001209265877 940455015 /nfs/dbraw/zinc/45/50/15/940455015.db2.gz MMKRGHADSGZOKM-UHFFFAOYSA-N 1 3 254.374 1.217 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211267479 940744762 /nfs/dbraw/zinc/74/47/62/940744762.db2.gz BCFZYKHPLKUADH-ZDUSSCGKSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571838 940895125 /nfs/dbraw/zinc/89/51/25/940895125.db2.gz XFKKMSDLGHHMOW-KFWWJZLASA-N 1 3 281.444 1.729 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218626795 941246621 /nfs/dbraw/zinc/24/66/21/941246621.db2.gz MBMHBBOPTZKSDL-CQSZACIVSA-N 1 3 298.346 1.570 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](C)N)CC2 ZINC001235577276 944206810 /nfs/dbraw/zinc/20/68/10/944206810.db2.gz ZCHCLUJBDWWQRY-ZFWWWQNUSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)N)CC2 ZINC001235577276 944206817 /nfs/dbraw/zinc/20/68/17/944206817.db2.gz ZCHCLUJBDWWQRY-ZFWWWQNUSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCOC(=O)N1CCC(CN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246464534 948188762 /nfs/dbraw/zinc/18/87/62/948188762.db2.gz HDYCVOZJHKKHGG-ZFWWWQNUSA-N 1 3 295.427 1.751 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556227 948265300 /nfs/dbraw/zinc/26/53/00/948265300.db2.gz DXMZSLOISMUMRC-WMLDXEAASA-N 1 3 287.407 1.665 20 30 CDEDHO N#C[C@@H]1C[C@@H](N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246604012 948338423 /nfs/dbraw/zinc/33/84/23/948338423.db2.gz MPHBPRYSFPZWEA-ULQDDVLXSA-N 1 3 290.455 1.876 20 30 CDEDHO N#C[C@@H]1C[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934867 948530016 /nfs/dbraw/zinc/53/00/16/948530016.db2.gz CJDNGDZNXLXXFB-HLLBOEOZSA-N 1 3 290.455 1.875 20 30 CDEDHO N#C[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934867 948530021 /nfs/dbraw/zinc/53/00/21/948530021.db2.gz CJDNGDZNXLXXFB-HLLBOEOZSA-N 1 3 290.455 1.875 20 30 CDEDHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001326304796 954311159 /nfs/dbraw/zinc/31/11/59/954311159.db2.gz QYVPJHHPEHBOAI-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335460378 959820442 /nfs/dbraw/zinc/82/04/42/959820442.db2.gz NLJHPQBDOGADEA-OAHLLOKOSA-N 1 3 294.443 1.468 20 30 CDEDHO CN1CCCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001336810915 960613806 /nfs/dbraw/zinc/61/38/06/960613806.db2.gz KZGAGCGGSUFEEW-ZIAGYGMSSA-N 1 3 267.417 1.609 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001339938631 962637472 /nfs/dbraw/zinc/63/74/72/962637472.db2.gz IZPNCWJYGTVJMB-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001339938631 962637482 /nfs/dbraw/zinc/63/74/82/962637482.db2.gz IZPNCWJYGTVJMB-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001340709339 963082079 /nfs/dbraw/zinc/08/20/79/963082079.db2.gz OADKIFKCKCMXKL-KKUMJFAQSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001340709339 963082088 /nfs/dbraw/zinc/08/20/88/963082088.db2.gz OADKIFKCKCMXKL-KKUMJFAQSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001340709339 963082096 /nfs/dbraw/zinc/08/20/96/963082096.db2.gz OADKIFKCKCMXKL-KKUMJFAQSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001341659755 963500517 /nfs/dbraw/zinc/50/05/17/963500517.db2.gz SGKYYYXFFJTWLT-HUUCEWRRSA-N 1 3 279.428 1.757 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001346237176 965004265 /nfs/dbraw/zinc/00/42/65/965004265.db2.gz MMSLFISRBCJSTI-UHFFFAOYSA-N 1 3 293.798 1.823 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100675897 968927002 /nfs/dbraw/zinc/92/70/02/968927002.db2.gz BXUUCKGVHWSKBU-QQFBHYJXSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265386 1163217917 /nfs/dbraw/zinc/21/79/17/1163217917.db2.gz MFCCKMUSYFLUBV-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133178664 1163596988 /nfs/dbraw/zinc/59/69/88/1163596988.db2.gz VWXHWIYSOFVRHH-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347363 1163649623 /nfs/dbraw/zinc/64/96/23/1163649623.db2.gz WIJPIGCBJWOEHB-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO CC1(NC2CCN(Cc3ccc(C#N)cc3)CC2)C[NH2+]C1 ZINC001576545890 1171454672 /nfs/dbraw/zinc/45/46/72/1171454672.db2.gz UFUDUEUYQYINLY-UHFFFAOYSA-N 1 3 284.407 1.474 20 30 CDEDHO CN(C)C(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291059 376000629 /nfs/dbraw/zinc/00/06/29/376000629.db2.gz VGQBSECLUYQECW-CQSZACIVSA-N 1 3 260.385 1.385 20 30 CDEDHO C=CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420301501 376325399 /nfs/dbraw/zinc/32/53/99/376325399.db2.gz LHSZLVPIFGWPKJ-IRXDYDNUSA-N 1 3 274.408 1.815 20 30 CDEDHO C=CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420301501 376325402 /nfs/dbraw/zinc/32/54/02/376325402.db2.gz LHSZLVPIFGWPKJ-IRXDYDNUSA-N 1 3 274.408 1.815 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417528389 377857834 /nfs/dbraw/zinc/85/78/34/377857834.db2.gz OEPLGHPPQILHET-CQSZACIVSA-N 1 3 294.443 1.407 20 30 CDEDHO CN1CCN(CCCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000525694782 390939927 /nfs/dbraw/zinc/93/99/27/390939927.db2.gz KPGGIMJKUQVBBH-UHFFFAOYSA-N 1 3 280.460 1.934 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1F ZINC000267431745 391194483 /nfs/dbraw/zinc/19/44/83/391194483.db2.gz MVGBCXAIAYFXCG-CYBMUJFWSA-N 1 3 296.365 1.853 20 30 CDEDHO CN(C)CCN(C)CCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000339206727 391269397 /nfs/dbraw/zinc/26/93/97/391269397.db2.gz XFNGDHYTVKHJAS-GJZGRUSLSA-N 1 3 266.433 1.494 20 30 CDEDHO CN(C)CCN(C)CCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000339206727 391269400 /nfs/dbraw/zinc/26/94/00/391269400.db2.gz XFNGDHYTVKHJAS-GJZGRUSLSA-N 1 3 266.433 1.494 20 30 CDEDHO C[C@H](CCC#N)[N@H+](C)CCCN(C)CCN(C)C ZINC000411739074 391517596 /nfs/dbraw/zinc/51/75/96/391517596.db2.gz VSJXJWHPNJNFKX-CQSZACIVSA-N 1 3 254.422 1.494 20 30 CDEDHO C[C@H](CCC#N)[N@@H+](C)CCCN(C)CCN(C)C ZINC000411739074 391517598 /nfs/dbraw/zinc/51/75/98/391517598.db2.gz VSJXJWHPNJNFKX-CQSZACIVSA-N 1 3 254.422 1.494 20 30 CDEDHO C[NH+](C)CCCCNCc1cnc2c(C#N)cnn2c1 ZINC000556224973 290259660 /nfs/dbraw/zinc/25/96/60/290259660.db2.gz WSYQCWVOPGUQOC-UHFFFAOYSA-N 1 3 272.356 1.032 20 30 CDEDHO C[NH+]=C(NCC1CCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262464446 330014985 /nfs/dbraw/zinc/01/49/85/330014985.db2.gz NHWWSBACLOBHFN-HNNXBMFYSA-N 1 3 278.444 1.922 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000262528082 330019678 /nfs/dbraw/zinc/01/96/78/330019678.db2.gz MAOVGKFQBSKHAA-IOASZLSFSA-N 1 3 296.459 1.579 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424138019 330275042 /nfs/dbraw/zinc/27/50/42/330275042.db2.gz CSGQVOYXVFFKDT-UONOGXRCSA-N 1 3 280.416 1.102 20 30 CDEDHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424138019 330275044 /nfs/dbraw/zinc/27/50/44/330275044.db2.gz CSGQVOYXVFFKDT-UONOGXRCSA-N 1 3 280.416 1.102 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001755604507 1160305644 /nfs/dbraw/zinc/30/56/44/1160305644.db2.gz XCOKVQIUHBVTDY-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001734329172 1183734085 /nfs/dbraw/zinc/73/40/85/1183734085.db2.gz CLMVMSRXDQZDSQ-KGLIPLIRSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000334907687 526430758 /nfs/dbraw/zinc/43/07/58/526430758.db2.gz SKYGSQWEBJLDMI-HIFRSBDPSA-N 1 3 292.427 1.173 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000334908684 526585939 /nfs/dbraw/zinc/58/59/39/526585939.db2.gz IYQSQWNCIVKULP-CYBMUJFWSA-N 1 3 280.416 1.160 20 30 CDEDHO C=CCNC(=S)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000751012796 577023147 /nfs/dbraw/zinc/02/31/47/577023147.db2.gz ZVDVUBRQQASLNX-AWEZNQCLSA-N 1 3 298.500 1.395 20 30 CDEDHO C=CCNC(=S)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000751012796 577023148 /nfs/dbraw/zinc/02/31/48/577023148.db2.gz ZVDVUBRQQASLNX-AWEZNQCLSA-N 1 3 298.500 1.395 20 30 CDEDHO C#CCCN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981200334 613004935 /nfs/dbraw/zinc/00/49/35/613004935.db2.gz PFRRQXIIMGQCBG-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000981200334 613004936 /nfs/dbraw/zinc/00/49/36/613004936.db2.gz PFRRQXIIMGQCBG-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972336548 613283444 /nfs/dbraw/zinc/28/34/44/613283444.db2.gz YCNJRGXZKYVOAJ-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972336548 613283446 /nfs/dbraw/zinc/28/34/46/613283446.db2.gz YCNJRGXZKYVOAJ-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC000969791535 613482676 /nfs/dbraw/zinc/48/26/76/613482676.db2.gz FPXQNJSJIZBDMA-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972268190 613613774 /nfs/dbraw/zinc/61/37/74/613613774.db2.gz WYQHMPKKNJRCPY-ZIAGYGMSSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972268190 613613776 /nfs/dbraw/zinc/61/37/76/613613776.db2.gz WYQHMPKKNJRCPY-ZIAGYGMSSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676340 629407294 /nfs/dbraw/zinc/40/72/94/629407294.db2.gz HFCSYUJMNFDNSG-CQSZACIVSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841356 629569906 /nfs/dbraw/zinc/56/99/06/629569906.db2.gz QLQLVSVEDRNUFE-HNNXBMFYSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855946 629593628 /nfs/dbraw/zinc/59/36/28/629593628.db2.gz LBZDJDSAWAEBOD-FRRDWIJNSA-N 1 3 251.374 1.023 20 30 CDEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348809 1158780433 /nfs/dbraw/zinc/78/04/33/1158780433.db2.gz VTXLQVFQDBYQDS-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001105944858 1161008923 /nfs/dbraw/zinc/00/89/23/1161008923.db2.gz BTDQNCNUYXFEGX-MRVWCRGKSA-N 1 3 299.846 1.517 20 30 CDEDHO Cn1cc(C[NH2+]CCN)c(-c2ccc(C#N)cc2)n1 ZINC001574213315 1170921673 /nfs/dbraw/zinc/92/16/73/1170921673.db2.gz WYGPXLMRGNZGEU-UHFFFAOYSA-N 1 3 255.325 1.007 20 30 CDEDHO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001698858963 1175966649 /nfs/dbraw/zinc/96/66/49/1175966649.db2.gz XGKSXXGLVJZSTP-ZIAGYGMSSA-N 1 3 267.417 1.032 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001753437045 1185205744 /nfs/dbraw/zinc/20/57/44/1185205744.db2.gz RICOCOYAVDIONG-GJZGRUSLSA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001753437045 1185205749 /nfs/dbraw/zinc/20/57/49/1185205749.db2.gz RICOCOYAVDIONG-GJZGRUSLSA-N 1 3 299.434 1.775 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC)C(C)C)CC1 ZINC001753845588 1185354296 /nfs/dbraw/zinc/35/42/96/1185354296.db2.gz MXQLAYOHYMGVTC-HNNXBMFYSA-N 1 3 279.428 1.082 20 30 CDEDHO CC#CCNC1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001754535027 1185663540 /nfs/dbraw/zinc/66/35/40/1185663540.db2.gz CGGWLERGLJAZOR-UHFFFAOYSA-N 1 3 277.412 1.124 20 30 CDEDHO C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001754802443 1185735058 /nfs/dbraw/zinc/73/50/58/1185735058.db2.gz BPHMZPUJWLZATL-HOTGVXAUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001755072563 1185806711 /nfs/dbraw/zinc/80/67/11/1185806711.db2.gz LEZBKKYFHFOPHN-UHFFFAOYSA-N 1 3 276.384 1.499 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773141 1164104279 /nfs/dbraw/zinc/10/42/79/1164104279.db2.gz LYEIGGVYNGTKNA-KBPBESRZSA-N 1 3 281.444 1.613 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCC[C@H](C)C1 ZINC000261979814 730434596 /nfs/dbraw/zinc/43/45/96/730434596.db2.gz HLTJWPHRXNQYNB-RYUDHWBXSA-N 1 3 254.422 1.810 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994255183 730458739 /nfs/dbraw/zinc/45/87/39/730458739.db2.gz PSLPBSQJQFYGCW-HUUCEWRRSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC)C2)CC1 ZINC001034539065 730468129 /nfs/dbraw/zinc/46/81/29/730468129.db2.gz UYYGHMOSRHBWOF-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC)C2)CC1 ZINC001034539065 730468130 /nfs/dbraw/zinc/46/81/30/730468130.db2.gz UYYGHMOSRHBWOF-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCSCC1)N1CCCC[C@H]1C ZINC000262026766 730760300 /nfs/dbraw/zinc/76/03/00/730760300.db2.gz ZRBZVXJRJHDLMJ-OLZOCXBDSA-N 1 3 284.473 1.613 20 30 CDEDHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1ccc(C#N)cc1 ZINC000923295827 731073883 /nfs/dbraw/zinc/07/38/83/731073883.db2.gz IOAGZDJYGZEANG-GOEBONIOSA-N 1 3 291.395 1.261 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000985802335 731147122 /nfs/dbraw/zinc/14/71/22/731147122.db2.gz QPPAOXVJJFSONX-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000985802335 731147123 /nfs/dbraw/zinc/14/71/23/731147123.db2.gz QPPAOXVJJFSONX-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377065 731221802 /nfs/dbraw/zinc/22/18/02/731221802.db2.gz ZVAHQGPTXGUHTF-NVXWUHKLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046377065 731221804 /nfs/dbraw/zinc/22/18/04/731221804.db2.gz ZVAHQGPTXGUHTF-NVXWUHKLSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036191791 731379242 /nfs/dbraw/zinc/37/92/42/731379242.db2.gz HIWDJXJLEXEUOZ-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1CCN(C)CC1 ZINC000886578682 731410228 /nfs/dbraw/zinc/41/02/28/731410228.db2.gz HOENMGJHPHNINT-AWEZNQCLSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCCOC(=O)N(CC[NH+](C)C)C1CCN(C)CC1 ZINC000859115482 731448210 /nfs/dbraw/zinc/44/82/10/731448210.db2.gz XEOFJBFBVITGPE-UHFFFAOYSA-N 1 3 281.400 1.104 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434269 731503431 /nfs/dbraw/zinc/50/34/31/731503431.db2.gz NKCQODBZOOACOA-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027434269 731503440 /nfs/dbraw/zinc/50/34/40/731503440.db2.gz NKCQODBZOOACOA-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075808766 731679177 /nfs/dbraw/zinc/67/91/77/731679177.db2.gz AQTOQFWCZPQHQK-QKPAOTATSA-N 1 3 291.439 1.435 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075808766 731679178 /nfs/dbraw/zinc/67/91/78/731679178.db2.gz AQTOQFWCZPQHQK-QKPAOTATSA-N 1 3 291.439 1.435 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NCC1CCC1)N1CCC(C)CC1 ZINC000104181375 731822389 /nfs/dbraw/zinc/82/23/89/731822389.db2.gz FOGZFMBDGHCRFZ-ZDUSSCGKSA-N 1 3 266.433 1.811 20 30 CDEDHO C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005185079 731881114 /nfs/dbraw/zinc/88/11/14/731881114.db2.gz PJSXZKFOOZGKKH-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985788915 731924731 /nfs/dbraw/zinc/92/47/31/731924731.db2.gz FRKXAEIUVNSNBH-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985788915 731924737 /nfs/dbraw/zinc/92/47/37/731924737.db2.gz FRKXAEIUVNSNBH-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000303890235 731973175 /nfs/dbraw/zinc/97/31/75/731973175.db2.gz MMAZAAJMKOZLCE-QWHCGFSZSA-N 1 3 254.422 1.906 20 30 CDEDHO CN(C[C@H](O)CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000886203170 732197927 /nfs/dbraw/zinc/19/79/27/732197927.db2.gz OJIZQMDGTAIGQW-VFSICIBPSA-N 1 3 291.439 1.988 20 30 CDEDHO CN(C[C@H](O)CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000886203170 732197928 /nfs/dbraw/zinc/19/79/28/732197928.db2.gz OJIZQMDGTAIGQW-VFSICIBPSA-N 1 3 291.439 1.988 20 30 CDEDHO CC(C)CCN1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000926413134 732763302 /nfs/dbraw/zinc/76/33/02/732763302.db2.gz YNPDPZISQQZLMZ-UHFFFAOYSA-N 1 3 290.415 1.250 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739230 732837783 /nfs/dbraw/zinc/83/77/83/732837783.db2.gz KUECBZDHLUWXQW-QGZVFWFLSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992506700 913249704 /nfs/dbraw/zinc/24/97/04/913249704.db2.gz UHGTXEMAYOZPRP-BFYDXBDKSA-N 1 3 289.423 1.075 20 30 CDEDHO CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992506700 913249720 /nfs/dbraw/zinc/24/97/20/913249720.db2.gz UHGTXEMAYOZPRP-BFYDXBDKSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001269559317 903931331 /nfs/dbraw/zinc/93/13/31/903931331.db2.gz ZDHNOQVCGPHLIZ-CQSZACIVSA-N 1 3 281.444 1.921 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586614 910817405 /nfs/dbraw/zinc/81/74/05/910817405.db2.gz QWXPBOBCWMEFEI-AWEZNQCLSA-N 1 3 281.444 1.615 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369600 916320083 /nfs/dbraw/zinc/32/00/83/916320083.db2.gz NEGRMQBGHJMMCG-UHFFFAOYSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228547 918369801 /nfs/dbraw/zinc/36/98/01/918369801.db2.gz KGBIHXRZEIUFLM-NVXWUHKLSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240641 918402534 /nfs/dbraw/zinc/40/25/34/918402534.db2.gz ODIWKSKLUVNQRJ-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240641 918402543 /nfs/dbraw/zinc/40/25/43/918402543.db2.gz ODIWKSKLUVNQRJ-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190445580 921998898 /nfs/dbraw/zinc/99/88/98/921998898.db2.gz ZBDOEJNPLZBSCF-GJZGRUSLSA-N 1 3 297.418 1.222 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190445580 921998903 /nfs/dbraw/zinc/99/89/03/921998903.db2.gz ZBDOEJNPLZBSCF-GJZGRUSLSA-N 1 3 297.418 1.222 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190435847 922009767 /nfs/dbraw/zinc/00/97/67/922009767.db2.gz KCYPCMCJYDVPCM-HUUCEWRRSA-N 1 3 299.434 1.775 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190435847 922009773 /nfs/dbraw/zinc/00/97/73/922009773.db2.gz KCYPCMCJYDVPCM-HUUCEWRRSA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001122065962 937903270 /nfs/dbraw/zinc/90/32/70/937903270.db2.gz IBNVLMZUTSERKK-CHWSQXEVSA-N 1 3 253.390 1.304 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342473 923011959 /nfs/dbraw/zinc/01/19/59/923011959.db2.gz FWTOFNHQCNCFCZ-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342473 923011975 /nfs/dbraw/zinc/01/19/75/923011975.db2.gz FWTOFNHQCNCFCZ-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001080329575 924534008 /nfs/dbraw/zinc/53/40/08/924534008.db2.gz FTWJZXMBFPJUNF-CBBWQLFWSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080329575 924534013 /nfs/dbraw/zinc/53/40/13/924534013.db2.gz FTWJZXMBFPJUNF-CBBWQLFWSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100771113 936934046 /nfs/dbraw/zinc/93/40/46/936934046.db2.gz YSLVPRUGIHAJGR-UHFFFAOYSA-N 1 3 281.444 1.779 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048537 937039067 /nfs/dbraw/zinc/03/90/67/937039067.db2.gz FZRUDNRWFFQMRI-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048537 937039070 /nfs/dbraw/zinc/03/90/70/937039070.db2.gz FZRUDNRWFFQMRI-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085422184 925942136 /nfs/dbraw/zinc/94/21/36/925942136.db2.gz KJOMDJDTFASYDY-BFHYXJOUSA-N 1 3 299.846 1.708 20 30 CDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001085422184 925942143 /nfs/dbraw/zinc/94/21/43/925942143.db2.gz KJOMDJDTFASYDY-BFHYXJOUSA-N 1 3 299.846 1.708 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086478739 927185687 /nfs/dbraw/zinc/18/56/87/927185687.db2.gz YPWWUTNRFFEKMT-DOERSZECSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086478739 927185693 /nfs/dbraw/zinc/18/56/93/927185693.db2.gz YPWWUTNRFFEKMT-DOERSZECSA-N 1 3 299.846 1.421 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206642128 937314001 /nfs/dbraw/zinc/31/40/01/937314001.db2.gz UMDJIQWBOWWTIM-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475736 930227046 /nfs/dbraw/zinc/22/70/46/930227046.db2.gz FVAPXOWTMJGHIH-KGLIPLIRSA-N 1 3 281.444 1.470 20 30 CDEDHO N#Cc1cc(C(F)(F)N[C@H](N)CCC[NH3+])cnc1Cl ZINC001159783423 930842360 /nfs/dbraw/zinc/84/23/60/930842360.db2.gz CWCVMSRZJYWPOF-VIFPVBQESA-N 1 3 289.717 1.269 20 30 CDEDHO CCCCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275131487 931675115 /nfs/dbraw/zinc/67/51/15/931675115.db2.gz RSUADOPPDQKZMU-CALCHBBNSA-N 1 3 297.487 1.903 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001091026053 931732481 /nfs/dbraw/zinc/73/24/81/931732481.db2.gz FXBUIVHSQPMDFH-YMAMQOFZSA-N 1 3 279.428 1.530 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001091267227 932069406 /nfs/dbraw/zinc/06/94/06/932069406.db2.gz FDBWZAUMBBHJMC-UYSNPLJNSA-N 1 3 291.439 1.367 20 30 CDEDHO N=C(Nc1cccc2c1CC[C@@H]2[NH3+])c1ccc(C(N)=O)cc1 ZINC001171258514 932170468 /nfs/dbraw/zinc/17/04/68/932170468.db2.gz BHBJZQBPXCEPGX-AWEZNQCLSA-N 1 3 294.358 1.769 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C)CC1 ZINC001146571079 932266641 /nfs/dbraw/zinc/26/66/41/932266641.db2.gz KRFQXRRNNFEYFL-HUUCEWRRSA-N 1 3 291.439 1.391 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CC(C)C)N(C)C ZINC000303774859 935043983 /nfs/dbraw/zinc/04/39/83/935043983.db2.gz GFPDJEWWBTXZCM-HUUCEWRRSA-N 1 3 297.491 1.351 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044630457 935866555 /nfs/dbraw/zinc/86/65/55/935866555.db2.gz WLOSMURDJQTCPM-KGLIPLIRSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158625011 938642807 /nfs/dbraw/zinc/64/28/07/938642807.db2.gz JPHUBKXXAUSRRA-MRXNPFEDSA-N 1 3 293.455 1.664 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158625011 938642808 /nfs/dbraw/zinc/64/28/08/938642808.db2.gz JPHUBKXXAUSRRA-MRXNPFEDSA-N 1 3 293.455 1.664 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412949 938901639 /nfs/dbraw/zinc/90/16/39/938901639.db2.gz MWUMCSIEFDQWOC-XGUBFFRZSA-N 1 3 279.428 1.646 20 30 CDEDHO CN(C)/C=N/c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1C#N ZINC001163343352 939252288 /nfs/dbraw/zinc/25/22/88/939252288.db2.gz WWAQWROQSPRZCE-VPXKPHMHSA-N 1 3 299.378 1.321 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206308141 940014534 /nfs/dbraw/zinc/01/45/34/940014534.db2.gz YSZWWHUICCKZFL-AWEZNQCLSA-N 1 3 267.417 1.341 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001214999230 940851204 /nfs/dbraw/zinc/85/12/04/940851204.db2.gz BAIPJDWGGZGHAX-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO N#Cc1c2ccccc2sc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218648830 941251632 /nfs/dbraw/zinc/25/16/32/941251632.db2.gz KTCRUDSELVBHAD-LLVKDONJSA-N 1 3 288.376 1.778 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001223374252 941674017 /nfs/dbraw/zinc/67/40/17/941674017.db2.gz MKPXKMFALUKJDS-HNNXBMFYSA-N 1 3 299.434 1.681 20 30 CDEDHO C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCCN(C)CC2)C1=O ZINC001254510967 947471762 /nfs/dbraw/zinc/47/17/62/947471762.db2.gz ZJLHEPLAEUMVQZ-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C(=O)NCCC[NH2+][C@H](C)CCN(CC)CC ZINC001255945304 948131978 /nfs/dbraw/zinc/13/19/78/948131978.db2.gz JQIRZDLIPWRRPS-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415845 948163426 /nfs/dbraw/zinc/16/34/26/948163426.db2.gz LIVIVEACTGBSRI-WFASDCNBSA-N 1 3 288.395 1.062 20 30 CDEDHO C=CCOC[C@]12CCCO[C@@H]1CCN(C1CC[NH2+]CC1)C2 ZINC001246724650 948419050 /nfs/dbraw/zinc/41/90/50/948419050.db2.gz WEMNOBWZNCWDFD-IAGOWNOFSA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCNCC1)C2 ZINC001246724650 948419054 /nfs/dbraw/zinc/41/90/54/948419054.db2.gz WEMNOBWZNCWDFD-IAGOWNOFSA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCNCC1)C2 ZINC001246724650 948419057 /nfs/dbraw/zinc/41/90/57/948419057.db2.gz WEMNOBWZNCWDFD-IAGOWNOFSA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@H](O)CN[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252499233 951379390 /nfs/dbraw/zinc/37/93/90/951379390.db2.gz XNHJHTWNYWEOMX-RBSFLKMASA-N 1 3 270.417 1.258 20 30 CDEDHO C=CCOC[C@H](O)CN[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001252499233 951379401 /nfs/dbraw/zinc/37/94/01/951379401.db2.gz XNHJHTWNYWEOMX-RBSFLKMASA-N 1 3 270.417 1.258 20 30 CDEDHO C=C[C@](C)(O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252580034 951474479 /nfs/dbraw/zinc/47/44/79/951474479.db2.gz PNBBNJRUINMXRG-KRWDZBQOSA-N 1 3 289.423 1.820 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892626 963572879 /nfs/dbraw/zinc/57/28/79/963572879.db2.gz IQCIUKZLUOACCJ-OLZOCXBDSA-N 1 3 265.401 1.461 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC001343391393 963966181 /nfs/dbraw/zinc/96/61/81/963966181.db2.gz IRYQDRQQPKVPSO-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC001343391393 963966187 /nfs/dbraw/zinc/96/61/87/963966187.db2.gz IRYQDRQQPKVPSO-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO C#CCN(C[C@@H](C[NH3+])Cc1cnn(C)c1C)CC1CC1 ZINC001574667385 1170998691 /nfs/dbraw/zinc/99/86/91/1170998691.db2.gz QPQAIYWGSOJVDV-OAHLLOKOSA-N 1 3 274.412 1.191 20 30 CDEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC#N)CC1 ZINC000591570971 342637485 /nfs/dbraw/zinc/63/74/85/342637485.db2.gz MFAWLLUKGQTRKR-ZBFHGGJFSA-N 1 3 278.444 1.875 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C[NH+]1CCCCC1 ZINC000594441570 342907404 /nfs/dbraw/zinc/90/74/04/342907404.db2.gz STQMRXDMRZDQEY-GJZGRUSLSA-N 1 3 294.443 1.636 20 30 CDEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)nc1 ZINC000594583042 342921195 /nfs/dbraw/zinc/92/11/95/342921195.db2.gz RPSUHKLCFQDSTR-ZBFHGGJFSA-N 1 3 299.422 1.782 20 30 CDEDHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CCCC#N ZINC000595944675 343205214 /nfs/dbraw/zinc/20/52/14/343205214.db2.gz UVHBQCLTYODAGV-ZIAGYGMSSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598195943 343727690 /nfs/dbraw/zinc/72/76/90/343727690.db2.gz XGROAZABEWEJMU-GOEBONIOSA-N 1 3 285.391 1.921 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195943 343727691 /nfs/dbraw/zinc/72/76/91/343727691.db2.gz XGROAZABEWEJMU-GOEBONIOSA-N 1 3 285.391 1.921 20 30 CDEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[N@H+](C)C1 ZINC000598701818 343889661 /nfs/dbraw/zinc/88/96/61/343889661.db2.gz NIPYDHLDKXTBDV-QWHCGFSZSA-N 1 3 253.390 1.171 20 30 CDEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[N@@H+](C)C1 ZINC000598701818 343889663 /nfs/dbraw/zinc/88/96/63/343889663.db2.gz NIPYDHLDKXTBDV-QWHCGFSZSA-N 1 3 253.390 1.171 20 30 CDEDHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(C#N)cn1 ZINC000618905476 345447582 /nfs/dbraw/zinc/44/75/82/345447582.db2.gz IIBXFXQRNLDGCT-UHFFFAOYSA-N 1 3 287.411 1.023 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264069189 362956140 /nfs/dbraw/zinc/95/61/40/362956140.db2.gz FVRVXHXNZQXWJL-HUUCEWRRSA-N 1 3 290.411 1.109 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1sccc1C ZINC000264106085 362968090 /nfs/dbraw/zinc/96/80/90/362968090.db2.gz NVAOXXBCAZXYHQ-LBPRGKRZSA-N 1 3 280.441 1.945 20 30 CDEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NC1CC1 ZINC000264125951 362973286 /nfs/dbraw/zinc/97/32/86/362973286.db2.gz WKGSNYPKGOGGQC-UHFFFAOYSA-N 1 3 272.396 1.502 20 30 CDEDHO C=CCNC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000058064541 357376963 /nfs/dbraw/zinc/37/69/63/357376963.db2.gz DVHZVEUJLMZPHX-UHFFFAOYSA-N 1 3 260.385 1.599 20 30 CDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(N)CC1)C(C)C ZINC000165196385 363625929 /nfs/dbraw/zinc/62/59/29/363625929.db2.gz NNKFVHUAGGUCBZ-CYBMUJFWSA-N 1 3 265.401 1.293 20 30 CDEDHO C[NH+](C)C1CCN(CCNCc2cccc(C#N)c2)CC1 ZINC000176989653 189019508 /nfs/dbraw/zinc/01/95/08/189019508.db2.gz NVOXLUHMKBPDFS-UHFFFAOYSA-N 1 3 286.423 1.674 20 30 CDEDHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000349923050 360962909 /nfs/dbraw/zinc/96/29/09/360962909.db2.gz UXPJZRXSCHYFPP-QWHCGFSZSA-N 1 3 267.373 1.105 20 30 CDEDHO CC#CCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157922920 361050629 /nfs/dbraw/zinc/05/06/29/361050629.db2.gz BOHPFAYKXYIKCY-GJZGRUSLSA-N 1 3 264.413 1.831 20 30 CDEDHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(C)C#N)CC2)CC1 ZINC000434434976 361326778 /nfs/dbraw/zinc/32/67/78/361326778.db2.gz OBGYITMBRKNIDO-AWEZNQCLSA-N 1 3 292.427 1.163 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC000164415542 371311314 /nfs/dbraw/zinc/31/13/14/371311314.db2.gz VLXMPLFMDSLZIM-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758467 375576122 /nfs/dbraw/zinc/57/61/22/375576122.db2.gz NABCRSUKECBMJE-UHFFFAOYSA-N 1 3 280.416 1.030 20 30 CDEDHO CN(C(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000195290659 376000108 /nfs/dbraw/zinc/00/01/08/376000108.db2.gz WZKMLDSZOUUKOF-HNNXBMFYSA-N 1 3 286.423 1.917 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417528892 377878135 /nfs/dbraw/zinc/87/81/35/377878135.db2.gz PBASDTNTDMYCKF-HNNXBMFYSA-N 1 3 294.443 1.454 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417524238 377847647 /nfs/dbraw/zinc/84/76/47/377847647.db2.gz JSBWUBICWBHEDR-CQSZACIVSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)C(C)C ZINC000296361808 378727793 /nfs/dbraw/zinc/72/77/93/378727793.db2.gz JNMOQIMRTKKLRF-GOEBONIOSA-N 1 3 293.455 1.942 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000237019061 390649322 /nfs/dbraw/zinc/64/93/22/390649322.db2.gz PXSYTPUNOQGUJF-AAEUAGOBSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356264985 391243285 /nfs/dbraw/zinc/24/32/85/391243285.db2.gz NKQMYLCFUJACMY-CYBMUJFWSA-N 1 3 281.444 1.920 20 30 CDEDHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339053781 391247531 /nfs/dbraw/zinc/24/75/31/391247531.db2.gz IUDKSKUIIXYHFV-ZBFHGGJFSA-N 1 3 278.444 1.636 20 30 CDEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339053781 391247533 /nfs/dbraw/zinc/24/75/33/391247533.db2.gz IUDKSKUIIXYHFV-ZBFHGGJFSA-N 1 3 278.444 1.636 20 30 CDEDHO C=CCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000647909254 391250702 /nfs/dbraw/zinc/25/07/02/391250702.db2.gz ZDEVPSBCDIHZRY-UHFFFAOYSA-N 1 3 295.471 1.462 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442712025 391732582 /nfs/dbraw/zinc/73/25/82/391732582.db2.gz FYZOATYEWHXFMB-HUUCEWRRSA-N 1 3 264.417 1.296 20 30 CDEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(C#N)n(C)c1 ZINC000191300976 130219012 /nfs/dbraw/zinc/21/90/12/130219012.db2.gz BVVCPVDWMUVYHR-HNNXBMFYSA-N 1 3 278.400 1.343 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccncc1C ZINC000162896002 261297683 /nfs/dbraw/zinc/29/76/83/261297683.db2.gz GJIJCZYXOJUUJT-HNNXBMFYSA-N 1 3 289.427 1.321 20 30 CDEDHO COc1ccccc1CNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000292000525 263127220 /nfs/dbraw/zinc/12/72/20/263127220.db2.gz XMPKKCSEKBRSLB-LBPRGKRZSA-N 1 3 278.400 1.297 20 30 CDEDHO C=CC[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384370 424293134 /nfs/dbraw/zinc/29/31/34/424293134.db2.gz INKLJSFKTBJPLQ-GJZGRUSLSA-N 1 3 254.418 1.976 20 30 CDEDHO C=CC[C@H]1CCCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000661384370 424293138 /nfs/dbraw/zinc/29/31/38/424293138.db2.gz INKLJSFKTBJPLQ-GJZGRUSLSA-N 1 3 254.418 1.976 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653117874 424302561 /nfs/dbraw/zinc/30/25/61/424302561.db2.gz XYQKEWIFLCFLLU-ZDUSSCGKSA-N 1 3 265.401 1.143 20 30 CDEDHO C[N@H+](C[C@H](O)CNCCc1cccc(C#N)c1)C1CC1 ZINC000569096212 294155434 /nfs/dbraw/zinc/15/54/34/294155434.db2.gz WUOCKECFGWZVFL-MRXNPFEDSA-N 1 3 273.380 1.145 20 30 CDEDHO C[N@@H+](C[C@H](O)CNCCc1cccc(C#N)c1)C1CC1 ZINC000569096212 294155438 /nfs/dbraw/zinc/15/54/38/294155438.db2.gz WUOCKECFGWZVFL-MRXNPFEDSA-N 1 3 273.380 1.145 20 30 CDEDHO C[C@@H](CC[NH2+]C[C@H](O)CN(C)CCC#N)N1CCCCC1 ZINC000564872956 327061699 /nfs/dbraw/zinc/06/16/99/327061699.db2.gz JULXGPAGHVHNSE-HOTGVXAUSA-N 1 3 296.459 1.047 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCC[C@H]1O ZINC000262430825 330010230 /nfs/dbraw/zinc/01/02/30/330010230.db2.gz OIIDFVLGJFDGNM-FMKPAKJESA-N 1 3 296.459 1.316 20 30 CDEDHO C=CC(C)(C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423153102 330173037 /nfs/dbraw/zinc/17/30/37/330173037.db2.gz MYOSLSQRKODYJL-MELADBBJSA-N 1 3 252.402 1.945 20 30 CDEDHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424131692 330263845 /nfs/dbraw/zinc/26/38/45/330263845.db2.gz JPXLNDJCAFFKCO-CABCVRRESA-N 1 3 294.443 1.636 20 30 CDEDHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424131692 330263846 /nfs/dbraw/zinc/26/38/46/330263846.db2.gz JPXLNDJCAFFKCO-CABCVRRESA-N 1 3 294.443 1.636 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140628 330281213 /nfs/dbraw/zinc/28/12/13/330281213.db2.gz BMBVJKKFNWAXDN-ZIAGYGMSSA-N 1 3 280.416 1.244 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000491164670 332158916 /nfs/dbraw/zinc/15/89/16/332158916.db2.gz DIPMZHPGBWSAOO-GJZGRUSLSA-N 1 3 251.418 1.261 20 30 CDEDHO C#CCNC(=O)CCN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000491747059 332324580 /nfs/dbraw/zinc/32/45/80/332324580.db2.gz CCYHMBPGEDVGLE-HOTGVXAUSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCN(C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001753074162 1185040403 /nfs/dbraw/zinc/04/04/03/1185040403.db2.gz BHXCPLVERORQFE-BETUJISGSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCN(C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001753074162 1185040408 /nfs/dbraw/zinc/04/04/08/1185040408.db2.gz BHXCPLVERORQFE-BETUJISGSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001755201775 1185852235 /nfs/dbraw/zinc/85/22/35/1185852235.db2.gz VLDOXRCXZLBGEH-OAHLLOKOSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001755201775 1185852243 /nfs/dbraw/zinc/85/22/43/1185852243.db2.gz VLDOXRCXZLBGEH-OAHLLOKOSA-N 1 3 279.428 1.274 20 30 CDEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018266 613489452 /nfs/dbraw/zinc/48/94/52/613489452.db2.gz AIBKNVGKBNENRC-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018266 613489454 /nfs/dbraw/zinc/48/94/54/613489454.db2.gz AIBKNVGKBNENRC-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246125 613559618 /nfs/dbraw/zinc/55/96/18/613559618.db2.gz VSKYOIGKGAKSFM-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246125 613559619 /nfs/dbraw/zinc/55/96/19/613559619.db2.gz VSKYOIGKGAKSFM-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])N1CCSCC1)N1CCCC1 ZINC000104166891 617979067 /nfs/dbraw/zinc/97/90/67/617979067.db2.gz DXJWLURDBZMJCX-LBPRGKRZSA-N 1 3 270.446 1.224 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+]CC3(N)CC3)CC2)cc1 ZINC000902414246 624819619 /nfs/dbraw/zinc/81/96/19/624819619.db2.gz UMASEDGATFVVHL-UHFFFAOYSA-N 1 3 284.407 1.604 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908436810 628200335 /nfs/dbraw/zinc/20/03/35/628200335.db2.gz VOXBXIYVNLSNAQ-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908436810 628200336 /nfs/dbraw/zinc/20/03/36/628200336.db2.gz VOXBXIYVNLSNAQ-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911655881 629402237 /nfs/dbraw/zinc/40/22/37/629402237.db2.gz KWIMNSYIWIXVCZ-UONOGXRCSA-N 1 3 269.433 1.885 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732027 1159533390 /nfs/dbraw/zinc/53/33/90/1159533390.db2.gz JNZUOOFPPXHMJM-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001717201985 1180569952 /nfs/dbraw/zinc/56/99/52/1180569952.db2.gz MGEWOWADXHNESQ-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001717201985 1180569945 /nfs/dbraw/zinc/56/99/45/1180569945.db2.gz MGEWOWADXHNESQ-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794614 1185733632 /nfs/dbraw/zinc/73/36/32/1185733632.db2.gz DWPJVKBMMBOIJM-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001755042071 1185795870 /nfs/dbraw/zinc/79/58/70/1185795870.db2.gz ITWCJOOHTRNXTG-INIZCTEOSA-N 1 3 293.455 1.522 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001755042071 1185795876 /nfs/dbraw/zinc/79/58/76/1185795876.db2.gz ITWCJOOHTRNXTG-INIZCTEOSA-N 1 3 293.455 1.522 20 30 CDEDHO C=CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001755110889 1185819648 /nfs/dbraw/zinc/81/96/48/1185819648.db2.gz VFBBXOFFCJEPSM-KGLIPLIRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001755765116 1186061219 /nfs/dbraw/zinc/06/12/19/1186061219.db2.gz IVKCCNKXQBYCCA-ZDUSSCGKSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133820100 1163908520 /nfs/dbraw/zinc/90/85/20/1163908520.db2.gz YKRSGWRCOLZXDJ-KGLIPLIRSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CCCC[N@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001273487925 1164359263 /nfs/dbraw/zinc/35/92/63/1164359263.db2.gz VUVFPRWUSJAZOZ-INIZCTEOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCCC[N@@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001273487925 1164359271 /nfs/dbraw/zinc/35/92/71/1164359271.db2.gz VUVFPRWUSJAZOZ-INIZCTEOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999346324 735322104 /nfs/dbraw/zinc/32/21/04/735322104.db2.gz DMXRULKYLLRQOD-CYBMUJFWSA-N 1 3 265.401 1.237 20 30 CDEDHO CC[NH+](CC)CCO[C@H]1CCN(CCO[C@@H](C)C#N)C1 ZINC000801925181 735374700 /nfs/dbraw/zinc/37/47/00/735374700.db2.gz ZVGUGTMVTCODGE-GJZGRUSLSA-N 1 3 283.416 1.348 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564885 733249684 /nfs/dbraw/zinc/24/96/84/733249684.db2.gz HZXWOVGOUWWRNH-NVXWUHKLSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046564885 733249690 /nfs/dbraw/zinc/24/96/90/733249690.db2.gz HZXWOVGOUWWRNH-NVXWUHKLSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985653309 733445645 /nfs/dbraw/zinc/44/56/45/733445645.db2.gz LCTJWTPEEVPJQF-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985653309 733445653 /nfs/dbraw/zinc/44/56/53/733445653.db2.gz LCTJWTPEEVPJQF-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027883898 733756438 /nfs/dbraw/zinc/75/64/38/733756438.db2.gz DSYXBRFEGDREOP-CVEARBPZSA-N 1 3 291.439 1.485 20 30 CDEDHO CC(C)CNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303791092 733805013 /nfs/dbraw/zinc/80/50/13/733805013.db2.gz WYUFWWYPSVTSBE-UHFFFAOYSA-N 1 3 254.422 1.811 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027970352 734277305 /nfs/dbraw/zinc/27/73/05/734277305.db2.gz ARWOGUGWWUZRFU-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027970352 734277307 /nfs/dbraw/zinc/27/73/07/734277307.db2.gz ARWOGUGWWUZRFU-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970352 734277310 /nfs/dbraw/zinc/27/73/10/734277310.db2.gz ARWOGUGWWUZRFU-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970352 734277313 /nfs/dbraw/zinc/27/73/13/734277313.db2.gz ARWOGUGWWUZRFU-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987521685 734623062 /nfs/dbraw/zinc/62/30/62/734623062.db2.gz CZOKBPFQFPJESR-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001022808103 734688618 /nfs/dbraw/zinc/68/86/18/734688618.db2.gz PXEKBIJGNSERRG-QLFBSQMISA-N 1 3 277.412 1.119 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027575703 734688885 /nfs/dbraw/zinc/68/88/85/734688885.db2.gz CJRZUGATQXBHJJ-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027575703 734688890 /nfs/dbraw/zinc/68/88/90/734688890.db2.gz CJRZUGATQXBHJJ-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000303905519 734788413 /nfs/dbraw/zinc/78/84/13/734788413.db2.gz ZMGQMYVCYGQFTP-YDHLFZDLSA-N 1 3 284.448 1.436 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000985491119 734959504 /nfs/dbraw/zinc/95/95/04/734959504.db2.gz ATRICKSQAKDFGD-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000985491119 734959510 /nfs/dbraw/zinc/95/95/10/734959510.db2.gz ATRICKSQAKDFGD-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000303890234 735002021 /nfs/dbraw/zinc/00/20/21/735002021.db2.gz MMAZAAJMKOZLCE-OLZOCXBDSA-N 1 3 254.422 1.906 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806742 735035744 /nfs/dbraw/zinc/03/57/44/735035744.db2.gz MTGJRFPFJPBPIO-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806742 735035750 /nfs/dbraw/zinc/03/57/50/735035750.db2.gz MTGJRFPFJPBPIO-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001002146278 735274910 /nfs/dbraw/zinc/27/49/10/735274910.db2.gz ZBWUFPMWPDZABO-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986357967 735601565 /nfs/dbraw/zinc/60/15/65/735601565.db2.gz VCFUCWUHLQAMLS-TZMCWYRMSA-N 1 3 265.401 1.236 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001037854555 736129704 /nfs/dbraw/zinc/12/97/04/736129704.db2.gz QQMAZJSXXTWKQW-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1ccccc1C#N ZINC000923298289 736296657 /nfs/dbraw/zinc/29/66/57/736296657.db2.gz ACNKWHBHUYBOJF-HOCLYGCPSA-N 1 3 291.395 1.261 20 30 CDEDHO N#Cc1ccc(C(=O)N2CCC([NH2+]C3CC(N)C3)CC2)cc1 ZINC001173425424 912542508 /nfs/dbraw/zinc/54/25/08/912542508.db2.gz UOWNLZSEBHDRML-UHFFFAOYSA-N 1 3 298.390 1.242 20 30 CDEDHO N#Cc1ccc(C(=O)N2CCC(NC3CC([NH3+])C3)CC2)cc1 ZINC001173425424 912542522 /nfs/dbraw/zinc/54/25/22/912542522.db2.gz UOWNLZSEBHDRML-UHFFFAOYSA-N 1 3 298.390 1.242 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106313026 913852710 /nfs/dbraw/zinc/85/27/10/913852710.db2.gz SSUCWBLWCMSQCD-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001267019513 896577567 /nfs/dbraw/zinc/57/75/67/896577567.db2.gz VGGSVKFQJQUTMW-AWEZNQCLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634834 914080198 /nfs/dbraw/zinc/08/01/98/914080198.db2.gz NWOPZJZBRGNQKH-RBSFLKMASA-N 1 3 281.444 1.443 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705131 914168511 /nfs/dbraw/zinc/16/85/11/914168511.db2.gz SUEZWSVFBAAPBM-CHWSQXEVSA-N 1 3 276.384 1.212 20 30 CDEDHO CC/[NH+]=C(/N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000429093481 905365690 /nfs/dbraw/zinc/36/56/90/905365690.db2.gz VLOPYUZIBBOTSW-FARYLTDUSA-N 1 3 252.406 1.484 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC001088667077 908757912 /nfs/dbraw/zinc/75/79/12/908757912.db2.gz WWWLPTYJMWRLDI-ILXRZTDVSA-N 1 3 277.412 1.073 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088667077 908757924 /nfs/dbraw/zinc/75/79/24/908757924.db2.gz WWWLPTYJMWRLDI-ILXRZTDVSA-N 1 3 277.412 1.073 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088667077 908757937 /nfs/dbraw/zinc/75/79/37/908757937.db2.gz WWWLPTYJMWRLDI-ILXRZTDVSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850610 916012341 /nfs/dbraw/zinc/01/23/41/916012341.db2.gz IAUKPCALGMOOAL-UHFFFAOYSA-N 1 3 281.444 1.618 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228542 918369409 /nfs/dbraw/zinc/36/94/09/918369409.db2.gz KCZZGZWAELNPDU-NVXWUHKLSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185716368 919728136 /nfs/dbraw/zinc/72/81/36/919728136.db2.gz VJGKLRDVHJYEBD-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185761389 919745547 /nfs/dbraw/zinc/74/55/47/919745547.db2.gz GVVJPIDFJLNKDQ-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203047058 936724597 /nfs/dbraw/zinc/72/45/97/936724597.db2.gz RGSXPMGPRNUJBJ-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203104028 936830228 /nfs/dbraw/zinc/83/02/28/936830228.db2.gz PKUXXTQKTADCKQ-ZIAGYGMSSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571922 923780520 /nfs/dbraw/zinc/78/05/20/923780520.db2.gz YEMYPRRLMAZZKO-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037259 924023789 /nfs/dbraw/zinc/02/37/89/924023789.db2.gz FPBOQKKBDUPQNL-HNNXBMFYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037259 924023797 /nfs/dbraw/zinc/02/37/97/924023797.db2.gz FPBOQKKBDUPQNL-HNNXBMFYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037608 924029292 /nfs/dbraw/zinc/02/92/92/924029292.db2.gz GZYQQKMEJYQHCZ-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037608 924029305 /nfs/dbraw/zinc/02/93/05/924029305.db2.gz GZYQQKMEJYQHCZ-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196009866 924784176 /nfs/dbraw/zinc/78/41/76/924784176.db2.gz FZGMYZZWQVHSCI-HNNXBMFYSA-N 1 3 299.434 1.777 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196009866 924784180 /nfs/dbraw/zinc/78/41/80/924784180.db2.gz FZGMYZZWQVHSCI-HNNXBMFYSA-N 1 3 299.434 1.777 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103157808 937125212 /nfs/dbraw/zinc/12/52/12/937125212.db2.gz DKESYADSCNEFNK-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103157808 937125215 /nfs/dbraw/zinc/12/52/15/937125215.db2.gz DKESYADSCNEFNK-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475738 930226435 /nfs/dbraw/zinc/22/64/35/930226435.db2.gz FVAPXOWTMJGHIH-UONOGXRCSA-N 1 3 281.444 1.470 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824124 937474510 /nfs/dbraw/zinc/47/45/10/937474510.db2.gz LVPZCTKGAIKAEF-UKRRQHHQSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824124 937474512 /nfs/dbraw/zinc/47/45/12/937474512.db2.gz LVPZCTKGAIKAEF-UKRRQHHQSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C1C[C@@H]2CC([N@H+]3C[C@@H](O)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246574895 931904162 /nfs/dbraw/zinc/90/41/62/931904162.db2.gz BXZIJWJZQWADBX-KDLCZHGXSA-N 1 3 250.386 1.373 20 30 CDEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](O)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246574895 931904168 /nfs/dbraw/zinc/90/41/68/931904168.db2.gz BXZIJWJZQWADBX-KDLCZHGXSA-N 1 3 250.386 1.373 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001091267226 932068200 /nfs/dbraw/zinc/06/82/00/932068200.db2.gz FDBWZAUMBBHJMC-GPANFISMSA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146591892 932267901 /nfs/dbraw/zinc/26/79/01/932267901.db2.gz HZYXBFIOIYJYRL-KGLIPLIRSA-N 1 3 269.433 1.776 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780301 932883711 /nfs/dbraw/zinc/88/37/11/932883711.db2.gz FAYUOFGDMZDENH-INMHGKMJSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780301 932883714 /nfs/dbraw/zinc/88/37/14/932883714.db2.gz FAYUOFGDMZDENH-INMHGKMJSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092023142 932912675 /nfs/dbraw/zinc/91/26/75/932912675.db2.gz QQYFUIHXWHIFCS-YCPHGPKFSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092023142 932912678 /nfs/dbraw/zinc/91/26/78/932912678.db2.gz QQYFUIHXWHIFCS-YCPHGPKFSA-N 1 3 279.428 1.293 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255056 937653939 /nfs/dbraw/zinc/65/39/39/937653939.db2.gz IMNUGRYOBQZPIR-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255056 937653940 /nfs/dbraw/zinc/65/39/40/937653940.db2.gz IMNUGRYOBQZPIR-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121728945 937881693 /nfs/dbraw/zinc/88/16/93/937881693.db2.gz UOSPXPQXPOZPSQ-UKEPKTAJSA-N 1 3 291.439 1.223 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136442 937907776 /nfs/dbraw/zinc/90/77/76/937907776.db2.gz JVARKKDNWLPUDF-KBPBESRZSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001122136442 937907778 /nfs/dbraw/zinc/90/77/78/937907778.db2.gz JVARKKDNWLPUDF-KBPBESRZSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136445 937908009 /nfs/dbraw/zinc/90/80/09/937908009.db2.gz JVARKKDNWLPUDF-ZIAGYGMSSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001122136445 937908011 /nfs/dbraw/zinc/90/80/11/937908011.db2.gz JVARKKDNWLPUDF-ZIAGYGMSSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCCCC[C@H]([NH3+])C(=O)N1CC(C)(N(C)C)C1 ZINC001160644380 938806776 /nfs/dbraw/zinc/80/67/76/938806776.db2.gz DAEKLCNUVBKIDL-ZDUSSCGKSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161229671 938881232 /nfs/dbraw/zinc/88/12/32/938881232.db2.gz PWIVMUGNVPTAKB-IHRRRGAJSA-N 1 3 267.417 1.659 20 30 CDEDHO CN(C)/C=N/c1ccc(N2CC[C@@H]([NH3+])C2)cc1C#N ZINC001164285969 939446692 /nfs/dbraw/zinc/44/66/92/939446692.db2.gz BWDQNFYCRUPNNL-YXHQGMJNSA-N 1 3 257.341 1.317 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490468 939893080 /nfs/dbraw/zinc/89/30/80/939893080.db2.gz ICUDVAZVRKJSQL-HNNXBMFYSA-N 1 3 281.444 1.587 20 30 CDEDHO C#CCOc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206164240 939988563 /nfs/dbraw/zinc/98/85/63/939988563.db2.gz JVTKAQNNNFEFHY-HOTGVXAUSA-N 1 3 276.355 1.960 20 30 CDEDHO C#CCOc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206164240 939988565 /nfs/dbraw/zinc/98/85/65/939988565.db2.gz JVTKAQNNNFEFHY-HOTGVXAUSA-N 1 3 276.355 1.960 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208373323 940325065 /nfs/dbraw/zinc/32/50/65/940325065.db2.gz IEGBJXLWDZVRDB-GJZGRUSLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857753 941477869 /nfs/dbraw/zinc/47/78/69/941477869.db2.gz QNJAKYDBQVCVPE-STQMWFEESA-N 1 3 269.433 1.940 20 30 CDEDHO CN(Cc1cncc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000721556371 942650318 /nfs/dbraw/zinc/65/03/18/942650318.db2.gz CRRYGENKSVQZOR-UHFFFAOYSA-N 1 3 258.369 1.727 20 30 CDEDHO N#Cc1ccccc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246359546 948131638 /nfs/dbraw/zinc/13/16/38/948131638.db2.gz BVLXEKUXIBCARE-GOSISDBHSA-N 1 3 298.434 1.864 20 30 CDEDHO N#Cc1ccc(F)c(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247829838 948808525 /nfs/dbraw/zinc/80/85/25/948808525.db2.gz JYFJUONFVCVRKM-NSHDSACASA-N 1 3 299.309 1.024 20 30 CDEDHO N#CCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001327197069 954763517 /nfs/dbraw/zinc/76/35/17/954763517.db2.gz LVVAITDUBYGJJE-KBPBESRZSA-N 1 3 259.353 1.948 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001339938629 962637059 /nfs/dbraw/zinc/63/70/59/962637059.db2.gz IZPNCWJYGTVJMB-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001339938629 962637074 /nfs/dbraw/zinc/63/70/74/962637074.db2.gz IZPNCWJYGTVJMB-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC001343393794 963967295 /nfs/dbraw/zinc/96/72/95/963967295.db2.gz HFKZHVZWBANLRO-MRXNPFEDSA-N 1 3 289.423 1.918 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001521464249 970299251 /nfs/dbraw/zinc/29/92/51/970299251.db2.gz RIXFUCKLTBLTPZ-GJZGRUSLSA-N 1 3 279.428 1.757 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346710 1163639872 /nfs/dbraw/zinc/63/98/72/1163639872.db2.gz OHQJNLQPAIYZKV-CABCVRRESA-N 1 3 281.444 1.587 20 30 CDEDHO C[C@H](CCC#N)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000602453025 344436153 /nfs/dbraw/zinc/43/61/53/344436153.db2.gz XYOTVBUGHGYWAR-CQSZACIVSA-N 1 3 294.443 1.316 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447561955 362457848 /nfs/dbraw/zinc/45/78/48/362457848.db2.gz JZJIXAZETRVMJO-KFWWJZLASA-N 1 3 292.427 1.246 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447561955 362457851 /nfs/dbraw/zinc/45/78/51/362457851.db2.gz JZJIXAZETRVMJO-KFWWJZLASA-N 1 3 292.427 1.246 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000066124850 347478074 /nfs/dbraw/zinc/47/80/74/347478074.db2.gz LTYZKULULXWISW-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000066124850 347478076 /nfs/dbraw/zinc/47/80/76/347478076.db2.gz LTYZKULULXWISW-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C#C[C@H](CCC)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000491640659 347585128 /nfs/dbraw/zinc/58/51/28/347585128.db2.gz YRLNMIBSTCTQEI-CHWSQXEVSA-N 1 3 250.390 1.387 20 30 CDEDHO COc1ccc(NC(=[NH2+])NCCCN(C)C)cc1 ZINC000264063599 362955559 /nfs/dbraw/zinc/95/55/59/362955559.db2.gz DMTISILJNDSHFV-UHFFFAOYSA-N 1 3 250.346 1.374 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000264152154 362980778 /nfs/dbraw/zinc/98/07/78/362980778.db2.gz ZOIWPJNHDNJKOM-GFCCVEGCSA-N 1 3 280.441 1.679 20 30 CDEDHO CN(C)CCOc1ccc(CNC(=[NH2+])N(C)C2CC2)cc1 ZINC000181462206 357349956 /nfs/dbraw/zinc/34/99/56/357349956.db2.gz LUKJYZHUOAYVKW-UHFFFAOYSA-N 1 3 290.411 1.536 20 30 CDEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)C(C)C ZINC000262091371 359133956 /nfs/dbraw/zinc/13/39/56/359133956.db2.gz GKIJKYCJWTUPFC-OLZOCXBDSA-N 1 3 250.390 1.033 20 30 CDEDHO CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000570675400 363874824 /nfs/dbraw/zinc/87/48/24/363874824.db2.gz KFIOHXOCILEJGC-HNNXBMFYSA-N 1 3 296.459 1.045 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000529304946 368072388 /nfs/dbraw/zinc/07/23/88/368072388.db2.gz GSVADUIEHMOPRA-OAHLLOKOSA-N 1 3 294.443 1.276 20 30 CDEDHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCOC1 ZINC000328786298 375969177 /nfs/dbraw/zinc/96/91/77/375969177.db2.gz KTDNYQSSXPQRFN-STQMWFEESA-N 1 3 295.427 1.584 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(CC[NH2+]C)CC2)C1=O ZINC000420299382 376323147 /nfs/dbraw/zinc/32/31/47/376323147.db2.gz BAIHOXDKHAIOSX-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417536517 377899057 /nfs/dbraw/zinc/89/90/57/377899057.db2.gz XWWCNMUOHDHFDL-UHFFFAOYSA-N 1 3 280.416 1.078 20 30 CDEDHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442771439 378522417 /nfs/dbraw/zinc/52/24/17/378522417.db2.gz TVKHRCNFRBCTTL-QLFBSQMISA-N 1 3 265.401 1.361 20 30 CDEDHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339034480 391243996 /nfs/dbraw/zinc/24/39/96/391243996.db2.gz SVSJPMDWTKRZHB-UKRRQHHQSA-N 1 3 292.427 1.068 20 30 CDEDHO C=CC[C@@]1(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000662887521 413658057 /nfs/dbraw/zinc/65/80/57/413658057.db2.gz ZFEBIAGOERFUGH-RDJZCZTQSA-N 1 3 293.455 1.921 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000069705426 260262668 /nfs/dbraw/zinc/26/26/68/260262668.db2.gz JVJQSHROCSLHRS-AWEZNQCLSA-N 1 3 290.411 1.584 20 30 CDEDHO CC(C)[C@@H](CNC(=[NH2+])Nc1ccccn1)N1CCCC1 ZINC000170910361 261449605 /nfs/dbraw/zinc/44/96/05/261449605.db2.gz WFBBVKLDIZSHPE-CYBMUJFWSA-N 1 3 275.400 1.929 20 30 CDEDHO CN(C)C(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000283851683 263084657 /nfs/dbraw/zinc/08/46/57/263084657.db2.gz FVTUZFRWXIVCBA-UHFFFAOYSA-N 1 3 290.411 1.536 20 30 CDEDHO CN1CCN(CC[NH2+]Cc2ccc(C#N)cc2)CC1(C)C ZINC000282517494 277106087 /nfs/dbraw/zinc/10/60/87/277106087.db2.gz XXSPVGGELAFUPV-UHFFFAOYSA-N 1 3 286.423 1.674 20 30 CDEDHO C#Cc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000377539062 329018179 /nfs/dbraw/zinc/01/81/79/329018179.db2.gz BQQGCPDRKNHITC-SFHVURJKSA-N 1 3 297.446 1.926 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCSC1 ZINC000262328326 330006311 /nfs/dbraw/zinc/00/63/11/330006311.db2.gz URDHTDNLSQCNDJ-QWHCGFSZSA-N 1 3 284.473 1.518 20 30 CDEDHO C=CCN1CCC([NH2+][C@H](C)[C@@H]2CCCCN2)CC1 ZINC000422854688 330157869 /nfs/dbraw/zinc/15/78/69/330157869.db2.gz BFMKSRXAQXOSKO-HIFRSBDPSA-N 1 3 251.418 1.757 20 30 CDEDHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424183273 330319937 /nfs/dbraw/zinc/31/99/37/330319937.db2.gz VDRNQHNBDUEXNQ-STQMWFEESA-N 1 3 268.405 1.244 20 30 CDEDHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424183273 330319938 /nfs/dbraw/zinc/31/99/38/330319938.db2.gz VDRNQHNBDUEXNQ-STQMWFEESA-N 1 3 268.405 1.244 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669465268 483172912 /nfs/dbraw/zinc/17/29/12/483172912.db2.gz OEUQCXGGVLGVMQ-ZFWWWQNUSA-N 1 3 292.427 1.030 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001753447570 1185212796 /nfs/dbraw/zinc/21/27/96/1185212796.db2.gz BYJLWMIPDQBVQH-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001753447570 1185212801 /nfs/dbraw/zinc/21/28/01/1185212801.db2.gz BYJLWMIPDQBVQH-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO CC[NH+](CC)CCO[C@H]1CCN(CCCC#N)C1 ZINC000350366291 528148603 /nfs/dbraw/zinc/14/86/03/528148603.db2.gz MATHRHKTAVJOAL-AWEZNQCLSA-N 1 3 253.390 1.723 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000347044343 528471280 /nfs/dbraw/zinc/47/12/80/528471280.db2.gz XUHCMTVEULGCMA-OLZOCXBDSA-N 1 3 251.374 1.917 20 30 CDEDHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000347044343 528471283 /nfs/dbraw/zinc/47/12/83/528471283.db2.gz XUHCMTVEULGCMA-OLZOCXBDSA-N 1 3 251.374 1.917 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803046 612962918 /nfs/dbraw/zinc/96/29/18/612962918.db2.gz GABONNOAFUJSNQ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC)CC[C@H]2C)CC1 ZINC000968682831 613131935 /nfs/dbraw/zinc/13/19/35/613131935.db2.gz VLDLMJKBBQWWGJ-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC)CC[C@H]2C)CC1 ZINC000968682831 613131936 /nfs/dbraw/zinc/13/19/36/613131936.db2.gz VLDLMJKBBQWWGJ-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971201499 613285446 /nfs/dbraw/zinc/28/54/46/613285446.db2.gz OKYDBNJBWOFABT-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971201499 613285447 /nfs/dbraw/zinc/28/54/47/613285447.db2.gz OKYDBNJBWOFABT-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969653873 613483181 /nfs/dbraw/zinc/48/31/81/613483181.db2.gz NJFLNRGGXNPQAR-GDBMZVCRSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911811651 629543693 /nfs/dbraw/zinc/54/36/93/629543693.db2.gz UVEKSLVOYRNHBV-OAHLLOKOSA-N 1 3 273.380 1.954 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911880105 629606529 /nfs/dbraw/zinc/60/65/29/629606529.db2.gz RDIKGXJINNUIEL-HUUCEWRRSA-N 1 3 298.475 1.166 20 30 CDEDHO CC[C@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001130197165 1162568738 /nfs/dbraw/zinc/56/87/38/1162568738.db2.gz DSLQWSLXTLCCJB-OAHLLOKOSA-N 1 3 288.395 1.104 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001754602878 1159346040 /nfs/dbraw/zinc/34/60/40/1159346040.db2.gz CLKQYVPDJBZPBF-LSDHHAIUSA-N 1 3 281.444 1.872 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732327 1159533523 /nfs/dbraw/zinc/53/35/23/1159533523.db2.gz UBPFTRAAJKWQSA-ZIAGYGMSSA-N 1 3 288.395 1.050 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773108 1164104398 /nfs/dbraw/zinc/10/43/98/1164104398.db2.gz LDLYVFZHXWGFHO-ZIAGYGMSSA-N 1 3 281.444 1.613 20 30 CDEDHO C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001753403021 1185188796 /nfs/dbraw/zinc/18/87/96/1185188796.db2.gz KAYCBCJXENOMEX-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001753664974 1185292874 /nfs/dbraw/zinc/29/28/74/1185292874.db2.gz KIYVYKGEZLIABB-UHFFFAOYSA-N 1 3 291.439 1.513 20 30 CDEDHO CC#CCNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754255571 1185532031 /nfs/dbraw/zinc/53/20/31/1185532031.db2.gz RQFRVWMWJUWPJI-HZPDHXFCSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001755618913 1186013838 /nfs/dbraw/zinc/01/38/38/1186013838.db2.gz PZKYFCFDTHXRIE-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015502797 736429844 /nfs/dbraw/zinc/42/98/44/736429844.db2.gz HJIQZEGNGGMPCJ-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015502797 736429846 /nfs/dbraw/zinc/42/98/46/736429846.db2.gz HJIQZEGNGGMPCJ-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001037859138 736649254 /nfs/dbraw/zinc/64/92/54/736649254.db2.gz IBTDKZCVEJOOIZ-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036734980 736911646 /nfs/dbraw/zinc/91/16/46/736911646.db2.gz BKYJEVHHBBTTQB-GJZGRUSLSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036734980 736911649 /nfs/dbraw/zinc/91/16/49/736911649.db2.gz BKYJEVHHBBTTQB-GJZGRUSLSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440765 737979986 /nfs/dbraw/zinc/97/99/86/737979986.db2.gz KJVSQQXMIVORIO-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440765 737979991 /nfs/dbraw/zinc/97/99/91/737979991.db2.gz KJVSQQXMIVORIO-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000104155091 738598521 /nfs/dbraw/zinc/59/85/21/738598521.db2.gz XDFCTCNBVWESEN-UHFFFAOYSA-N 1 3 252.406 1.731 20 30 CDEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035232122 738905497 /nfs/dbraw/zinc/90/54/97/738905497.db2.gz XSBQYPPLIKLMIY-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035232122 738905501 /nfs/dbraw/zinc/90/55/01/738905501.db2.gz XSBQYPPLIKLMIY-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCN1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992437895 736525900 /nfs/dbraw/zinc/52/59/00/736525900.db2.gz XZCWMGNCTIEZPG-WMLDXEAASA-N 1 3 289.423 1.381 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377691 738948015 /nfs/dbraw/zinc/94/80/15/738948015.db2.gz DLNINEVTCCWTHT-RDJZCZTQSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377691 738948019 /nfs/dbraw/zinc/94/80/19/738948019.db2.gz DLNINEVTCCWTHT-RDJZCZTQSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712001 737281907 /nfs/dbraw/zinc/28/19/07/737281907.db2.gz ICBAPHVZAXBEBU-MELADBBJSA-N 1 3 265.401 1.284 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000354286331 738218971 /nfs/dbraw/zinc/21/89/71/738218971.db2.gz YALOEOSSNUUQIX-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000354286331 738218981 /nfs/dbraw/zinc/21/89/81/738218981.db2.gz YALOEOSSNUUQIX-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO C[N@@H+]1CC[C@H](CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000037894340 1165807194 /nfs/dbraw/zinc/80/71/94/1165807194.db2.gz MYZATIQOBWXTMO-HIFRSBDPSA-N 1 3 259.353 1.133 20 30 CDEDHO C[N@H+]1CC[C@H](CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000037894340 1165807202 /nfs/dbraw/zinc/80/72/02/1165807202.db2.gz MYZATIQOBWXTMO-HIFRSBDPSA-N 1 3 259.353 1.133 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001574908384 1167642682 /nfs/dbraw/zinc/64/26/82/1167642682.db2.gz LWLJCZQPNJTPDN-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001574908384 1167642685 /nfs/dbraw/zinc/64/26/85/1167642685.db2.gz LWLJCZQPNJTPDN-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175265489 913518224 /nfs/dbraw/zinc/51/82/24/913518224.db2.gz YKTZGHITWYDNGA-JKSUJKDBSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176279319 914015028 /nfs/dbraw/zinc/01/50/28/914015028.db2.gz LVECAIJQLLGPEH-AWEZNQCLSA-N 1 3 269.433 1.779 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666304 914115460 /nfs/dbraw/zinc/11/54/60/914115460.db2.gz JUJOPXOZKIQNJL-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178819128 915662576 /nfs/dbraw/zinc/66/25/76/915662576.db2.gz KODRLYOPDOMNAV-OAHLLOKOSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546382 915881638 /nfs/dbraw/zinc/88/16/38/915881638.db2.gz NTDBKSQXJNFOKH-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580655 915907979 /nfs/dbraw/zinc/90/79/79/915907979.db2.gz LLGSNGRFICMNMH-HNNXBMFYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110769 916845351 /nfs/dbraw/zinc/84/53/51/916845351.db2.gz NPNDRGDHRCCJIW-HNNXBMFYSA-N 1 3 291.439 1.772 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451561 918388223 /nfs/dbraw/zinc/38/82/23/918388223.db2.gz WYWOIGLFGGFATA-BFYDXBDKSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107451561 918388239 /nfs/dbraw/zinc/38/82/39/918388239.db2.gz WYWOIGLFGGFATA-BFYDXBDKSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190666243 922108477 /nfs/dbraw/zinc/10/84/77/922108477.db2.gz KWQZUEKLHVWBRU-HZPDHXFCSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190666243 922108486 /nfs/dbraw/zinc/10/84/86/922108486.db2.gz KWQZUEKLHVWBRU-HZPDHXFCSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099203097 936782921 /nfs/dbraw/zinc/78/29/21/936782921.db2.gz JGOIHXSQOUIEAB-AWEZNQCLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCOCCN(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045924 922892411 /nfs/dbraw/zinc/89/24/11/922892411.db2.gz ISWHSSHRHIJEER-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478327 936974300 /nfs/dbraw/zinc/97/43/00/936974300.db2.gz JFXYSNFMOAQKGW-WBVHZDCISA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478327 936974302 /nfs/dbraw/zinc/97/43/02/936974302.db2.gz JFXYSNFMOAQKGW-WBVHZDCISA-N 1 3 291.439 1.130 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101226 937041218 /nfs/dbraw/zinc/04/12/18/937041218.db2.gz SOWIVVHREUJJPA-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101226 937041220 /nfs/dbraw/zinc/04/12/20/937041220.db2.gz SOWIVVHREUJJPA-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001150351396 937228480 /nfs/dbraw/zinc/22/84/80/937228480.db2.gz YBEVMZLCZZKUSD-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001150351396 937228482 /nfs/dbraw/zinc/22/84/82/937228482.db2.gz YBEVMZLCZZKUSD-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496170 928615359 /nfs/dbraw/zinc/61/53/59/928615359.db2.gz POOVKJGKTQYMMU-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428057 928933511 /nfs/dbraw/zinc/93/35/11/928933511.db2.gz KTWJBLJFLZOQDL-UGUYLWEFSA-N 1 3 291.439 1.317 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2ccccc2)CC1 ZINC001152334340 937354600 /nfs/dbraw/zinc/35/46/00/937354600.db2.gz BAKRWKRFQCMREH-UHFFFAOYSA-N 1 3 299.418 1.238 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583806 929798312 /nfs/dbraw/zinc/79/83/12/929798312.db2.gz ORTFRNKVSVKWFJ-ZIAGYGMSSA-N 1 3 281.444 1.920 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476989 930225875 /nfs/dbraw/zinc/22/58/75/930225875.db2.gz PHFKWIWJEWVLLF-HUUCEWRRSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247300 932119078 /nfs/dbraw/zinc/11/90/78/932119078.db2.gz LARDJQNZXUJDRP-HOCLYGCPSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593571 932269468 /nfs/dbraw/zinc/26/94/68/932269468.db2.gz QCYLDKPDJPEAIS-CABCVRRESA-N 1 3 299.459 1.402 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092011346 932910994 /nfs/dbraw/zinc/91/09/94/932910994.db2.gz UQHPLNFXBFMRMC-UXLLHSPISA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092011346 932911002 /nfs/dbraw/zinc/91/10/02/932911002.db2.gz UQHPLNFXBFMRMC-UXLLHSPISA-N 1 3 291.439 1.295 20 30 CDEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092022081 932912639 /nfs/dbraw/zinc/91/26/39/932912639.db2.gz MPTBSCCRNCDRGU-VYDXJSESSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092022081 932912641 /nfs/dbraw/zinc/91/26/41/932912641.db2.gz MPTBSCCRNCDRGU-VYDXJSESSA-N 1 3 291.439 1.130 20 30 CDEDHO CCC(CC)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000304738556 935086773 /nfs/dbraw/zinc/08/67/73/935086773.db2.gz AUBUDNIQIWFXFQ-ZDUSSCGKSA-N 1 3 254.422 1.811 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC001121909958 937889229 /nfs/dbraw/zinc/88/92/29/937889229.db2.gz DMIPJUPEUSONNX-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121929643 937891544 /nfs/dbraw/zinc/89/15/44/937891544.db2.gz LCAUSMATUZLSTQ-UHFFFAOYSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001121971355 937895549 /nfs/dbraw/zinc/89/55/49/937895549.db2.gz ABQMRBFWLLVGRN-SOUVJXGZSA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001121971355 937895551 /nfs/dbraw/zinc/89/55/51/937895551.db2.gz ABQMRBFWLLVGRN-SOUVJXGZSA-N 1 3 279.428 1.613 20 30 CDEDHO N#Cc1cnc(Cl)cc1C(F)(F)N[C@@H](N)CCC[NH3+] ZINC001159786299 938752871 /nfs/dbraw/zinc/75/28/71/938752871.db2.gz XURJXFMJGNFLTO-SNVBAGLBSA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412950 938901758 /nfs/dbraw/zinc/90/17/58/938901758.db2.gz MWUMCSIEFDQWOC-XQLPTFJDSA-N 1 3 279.428 1.646 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CCC[NH+](C)C ZINC001165366689 939552474 /nfs/dbraw/zinc/55/24/74/939552474.db2.gz DUYYEJIJDZQPCQ-UHFFFAOYSA-N 1 3 261.797 1.177 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203519652 939691007 /nfs/dbraw/zinc/69/10/07/939691007.db2.gz BERQQRXKLQEDMU-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793684 939705074 /nfs/dbraw/zinc/70/50/74/939705074.db2.gz SSNWIXXDMJXIRV-LSDHHAIUSA-N 1 3 291.439 1.367 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)s1 ZINC001205241634 939841261 /nfs/dbraw/zinc/84/12/61/939841261.db2.gz UERHMVLBFRXITK-ZDUSSCGKSA-N 1 3 265.382 1.295 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205462473 939892488 /nfs/dbraw/zinc/89/24/88/939892488.db2.gz ZDVFRTIRHJRRTF-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C[C@H]1CCN(Cc2cncc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205625943 939909938 /nfs/dbraw/zinc/90/99/38/939909938.db2.gz CRXBVEDDGIXMEI-SWLSCSKDSA-N 1 3 258.369 1.760 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215541064 940893058 /nfs/dbraw/zinc/89/30/58/940893058.db2.gz WHZLGINAXSRNBH-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568478 940893786 /nfs/dbraw/zinc/89/37/86/940893786.db2.gz QMTCBJRLUHHLKJ-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO N#Cc1cc(F)c(NC(=O)[C@H](N)CCC[NH3+])c(Cl)c1 ZINC001218995103 941299599 /nfs/dbraw/zinc/29/95/99/941299599.db2.gz OWAGUSHHOMEPFE-SNVBAGLBSA-N 1 3 284.722 1.355 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223534229 941684621 /nfs/dbraw/zinc/68/46/21/941684621.db2.gz YOOARYCZWQKDCW-INIZCTEOSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN(C)CCC)CC1 ZINC001225251779 941832903 /nfs/dbraw/zinc/83/29/03/941832903.db2.gz ISXQUUYYCZLFIA-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229231640 942436780 /nfs/dbraw/zinc/43/67/80/942436780.db2.gz RXXMUWYHVWGMLF-HUUCEWRRSA-N 1 3 279.428 1.369 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282414162 942709128 /nfs/dbraw/zinc/70/91/28/942709128.db2.gz VSMYFPLNUHYSGE-UONOGXRCSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282414162 942709132 /nfs/dbraw/zinc/70/91/32/942709132.db2.gz VSMYFPLNUHYSGE-UONOGXRCSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001263105259 943747688 /nfs/dbraw/zinc/74/76/88/943747688.db2.gz IYARIYINTPXUCK-AWEZNQCLSA-N 1 3 277.368 1.646 20 30 CDEDHO N#C[C@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001254657169 947575212 /nfs/dbraw/zinc/57/52/12/947575212.db2.gz OBSDBMOYNRNHPW-UONOGXRCSA-N 1 3 250.390 1.035 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860234 948485037 /nfs/dbraw/zinc/48/50/37/948485037.db2.gz NMYLCDAORFOGSC-AJSFGMTHSA-N 1 3 285.391 1.395 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001324235005 961249482 /nfs/dbraw/zinc/24/94/82/961249482.db2.gz KGJQDQDUZMXKLJ-UKRRQHHQSA-N 1 3 290.411 1.888 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340864735 963161618 /nfs/dbraw/zinc/16/16/18/963161618.db2.gz JIDQPWXSWUPRSN-AGIUHOORSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001340864735 963161622 /nfs/dbraw/zinc/16/16/22/963161622.db2.gz JIDQPWXSWUPRSN-AGIUHOORSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001341435036 963412319 /nfs/dbraw/zinc/41/23/19/963412319.db2.gz QLENKDBGNLIXRU-OBJOEFQTSA-N 1 3 251.374 1.010 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC1CCN(CC=C)CC1 ZINC001341697999 963515733 /nfs/dbraw/zinc/51/57/33/963515733.db2.gz XRZKRVCDNOADMO-AWEZNQCLSA-N 1 3 265.401 1.437 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001342144812 963654479 /nfs/dbraw/zinc/65/44/79/963654479.db2.gz MWNVQOURWRKAHS-CABCVRRESA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001343085098 963902993 /nfs/dbraw/zinc/90/29/93/963902993.db2.gz KRMJZFKVKMUXRD-QWHCGFSZSA-N 1 3 253.390 1.318 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407835 968264334 /nfs/dbraw/zinc/26/43/34/968264334.db2.gz LKDMRQDHWNBANK-AVVWSFFYSA-N 1 3 293.455 1.777 20 30 CDEDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC#N)CC1 ZINC000591570969 342637523 /nfs/dbraw/zinc/63/75/23/342637523.db2.gz MFAWLLUKGQTRKR-GOEBONIOSA-N 1 3 278.444 1.875 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000264066143 362957156 /nfs/dbraw/zinc/95/71/56/362957156.db2.gz FAVOIMKGZSVSRJ-OAHLLOKOSA-N 1 3 274.412 1.884 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000165202000 363628196 /nfs/dbraw/zinc/62/81/96/363628196.db2.gz GALYERVWTPYFOI-LSDHHAIUSA-N 1 3 279.428 1.411 20 30 CDEDHO C=CCC[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000320248626 360476668 /nfs/dbraw/zinc/47/66/68/360476668.db2.gz HWLPDHFFAQPEBU-OAHLLOKOSA-N 1 3 275.396 1.967 20 30 CDEDHO C[C@H](CNC(=[NH2+])Nc1ccccn1)N1CCC(C)CC1 ZINC000170912010 365162847 /nfs/dbraw/zinc/16/28/47/365162847.db2.gz YDCDQBYPYGQFLV-CYBMUJFWSA-N 1 3 275.400 1.929 20 30 CDEDHO CC(C#N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000357833819 367243417 /nfs/dbraw/zinc/24/34/17/367243417.db2.gz QDFABJMYKVGYNL-ZDUSSCGKSA-N 1 3 251.374 1.774 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000245628376 376121861 /nfs/dbraw/zinc/12/18/61/376121861.db2.gz ZDAUXIONFLGWHY-LSDHHAIUSA-N 1 3 252.402 1.736 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417540223 377923080 /nfs/dbraw/zinc/92/30/80/377923080.db2.gz PBWNLSHEFAUFGK-CQSZACIVSA-N 1 3 280.416 1.078 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417534484 377906107 /nfs/dbraw/zinc/90/61/07/377906107.db2.gz HUHVXVDPZLWNDX-UHFFFAOYSA-N 1 3 280.416 1.208 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2)CC1 ZINC000373171768 391108598 /nfs/dbraw/zinc/10/85/98/391108598.db2.gz BVQPVNJLQKFMSK-OAGGEKHMSA-N 1 3 290.455 1.827 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000065407700 393400723 /nfs/dbraw/zinc/40/07/23/393400723.db2.gz LTUVRCKYVKKEFO-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000065407700 393400730 /nfs/dbraw/zinc/40/07/30/393400730.db2.gz LTUVRCKYVKKEFO-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccncc1C ZINC000162895885 261297755 /nfs/dbraw/zinc/29/77/55/261297755.db2.gz GJIJCZYXOJUUJT-OAHLLOKOSA-N 1 3 289.427 1.321 20 30 CDEDHO C[C@H]1C[NH+]=C(NCCCN2CCc3ccccc3C2)N1 ZINC000284986722 263088852 /nfs/dbraw/zinc/08/88/52/263088852.db2.gz HBOAOZDNAMOHFQ-ZDUSSCGKSA-N 1 3 272.396 1.372 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000417058383 263779349 /nfs/dbraw/zinc/77/93/49/263779349.db2.gz FOILLPQGPIWOAI-GJZGRUSLSA-N 1 3 294.443 1.346 20 30 CDEDHO CC(C#N)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000356471434 266120318 /nfs/dbraw/zinc/12/03/18/266120318.db2.gz HKLGBWVIVKAHCK-GFCCVEGCSA-N 1 3 290.367 1.188 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000357793855 266362674 /nfs/dbraw/zinc/36/26/74/266362674.db2.gz CAYZAZNJSHAYND-NWDGAFQWSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000357793855 266362678 /nfs/dbraw/zinc/36/26/78/266362678.db2.gz CAYZAZNJSHAYND-NWDGAFQWSA-N 1 3 251.374 1.773 20 30 CDEDHO C[NH+]=C(NC[C@@H]1CCCO1)NCC1(N(C)C)CCCCC1 ZINC000262569674 330021869 /nfs/dbraw/zinc/02/18/69/330021869.db2.gz MSANTYZNRVGURK-AWEZNQCLSA-N 1 3 296.459 1.595 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC(C)(C)N2CCC[C@@H](C)C2)N1 ZINC000262648901 330024471 /nfs/dbraw/zinc/02/44/71/330024471.db2.gz JZMNFELCVVFBKU-NEPJUHHUSA-N 1 3 252.406 1.434 20 30 CDEDHO CC[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)NC1CC1 ZINC000263226669 330049972 /nfs/dbraw/zinc/04/99/72/330049972.db2.gz GRXDIPOLAIPMTQ-STQMWFEESA-N 1 3 266.433 1.967 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)[C@@H](C)C1 ZINC000424148399 330295049 /nfs/dbraw/zinc/29/50/49/330295049.db2.gz UIOMWHMAGOXNPJ-MJBXVCDLSA-N 1 3 280.416 1.196 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)[C@@H](C)C1 ZINC000424148399 330295050 /nfs/dbraw/zinc/29/50/50/330295050.db2.gz UIOMWHMAGOXNPJ-MJBXVCDLSA-N 1 3 280.416 1.196 20 30 CDEDHO C=CC(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000581473977 336085749 /nfs/dbraw/zinc/08/57/49/336085749.db2.gz GVWBJUSMQFKMRQ-UHFFFAOYSA-N 1 3 284.448 1.333 20 30 CDEDHO C=C(C)CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000681405929 482841349 /nfs/dbraw/zinc/84/13/49/482841349.db2.gz LWJZFYDEOCJINK-HNNXBMFYSA-N 1 3 251.418 1.664 20 30 CDEDHO C=C(C)CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000681405929 482841357 /nfs/dbraw/zinc/84/13/57/482841357.db2.gz LWJZFYDEOCJINK-HNNXBMFYSA-N 1 3 251.418 1.664 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127321684 1161143417 /nfs/dbraw/zinc/14/34/17/1161143417.db2.gz CRSITQKHJYLBDV-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080781174 1161567852 /nfs/dbraw/zinc/56/78/52/1161567852.db2.gz QLCWJXMRSUBVBL-QLFBSQMISA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080781174 1161567858 /nfs/dbraw/zinc/56/78/58/1161567858.db2.gz QLCWJXMRSUBVBL-QLFBSQMISA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCC[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001753063689 1185032083 /nfs/dbraw/zinc/03/20/83/1185032083.db2.gz AYZCRZNHXKAVRY-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO C=CCCC[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001753063689 1185032091 /nfs/dbraw/zinc/03/20/91/1185032091.db2.gz AYZCRZNHXKAVRY-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000766930491 576147086 /nfs/dbraw/zinc/14/70/86/576147086.db2.gz HEDPGSHPKHUMSJ-RBSFLKMASA-N 1 3 250.386 1.583 20 30 CDEDHO C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2CC)C1 ZINC000970928803 612993947 /nfs/dbraw/zinc/99/39/47/612993947.db2.gz MGPSNLGJLYEFMH-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948779432 613177829 /nfs/dbraw/zinc/17/78/29/613177829.db2.gz NRGXMSVIORRWST-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948779432 613177830 /nfs/dbraw/zinc/17/78/30/613177830.db2.gz NRGXMSVIORRWST-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779432 613177832 /nfs/dbraw/zinc/17/78/32/613177832.db2.gz NRGXMSVIORRWST-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779432 613177833 /nfs/dbraw/zinc/17/78/33/613177833.db2.gz NRGXMSVIORRWST-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980484337 613289921 /nfs/dbraw/zinc/28/99/21/613289921.db2.gz YLKWHWOKTVLSEA-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980484337 613289923 /nfs/dbraw/zinc/28/99/23/613289923.db2.gz YLKWHWOKTVLSEA-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517152 613832760 /nfs/dbraw/zinc/83/27/60/613832760.db2.gz ACNIMARLJDBBLY-XHSDSOJGSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517152 613832761 /nfs/dbraw/zinc/83/27/61/613832761.db2.gz ACNIMARLJDBBLY-XHSDSOJGSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891522662 617459386 /nfs/dbraw/zinc/45/93/86/617459386.db2.gz TUAWGWMJRFHIAE-GOEBONIOSA-N 1 3 292.427 1.221 20 30 CDEDHO C=CCS(=O)(=O)CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925634272 617579966 /nfs/dbraw/zinc/57/99/66/617579966.db2.gz JBYFDTKANCJXTH-HNNXBMFYSA-N 1 3 296.436 1.657 20 30 CDEDHO CC#CC[C@@H](CO)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000895096179 619285625 /nfs/dbraw/zinc/28/56/25/619285625.db2.gz MRLBRVRXKBISCS-AWEZNQCLSA-N 1 3 252.402 1.613 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000910287017 628962758 /nfs/dbraw/zinc/96/27/58/628962758.db2.gz JLLJUAWQFKDLOC-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)CC1 ZINC000910287017 628962763 /nfs/dbraw/zinc/96/27/63/628962763.db2.gz JLLJUAWQFKDLOC-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133850928 1163924152 /nfs/dbraw/zinc/92/41/52/1163924152.db2.gz RSGBAHIKXYKOSY-HNNXBMFYSA-N 1 3 285.407 1.481 20 30 CDEDHO C=CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133849603 1163934412 /nfs/dbraw/zinc/93/44/12/1163934412.db2.gz AKTZBBBUCMYZEP-AWEZNQCLSA-N 1 3 271.380 1.091 20 30 CDEDHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001669909781 1173628534 /nfs/dbraw/zinc/62/85/34/1173628534.db2.gz JHHMYDWHPFKUIK-KBPBESRZSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001669909781 1173628540 /nfs/dbraw/zinc/62/85/40/1173628540.db2.gz JHHMYDWHPFKUIK-KBPBESRZSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001698692552 1175896641 /nfs/dbraw/zinc/89/66/41/1175896641.db2.gz ZTNVJQYSNINZNB-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001752543055 1184877306 /nfs/dbraw/zinc/87/73/06/1184877306.db2.gz UPBLSERBEIRXHZ-GASCZTMLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001754103163 1185465066 /nfs/dbraw/zinc/46/50/66/1185465066.db2.gz ILRKCCQDMPWOJT-WSNITJDQSA-N 1 3 265.401 1.309 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999374634 739332248 /nfs/dbraw/zinc/33/22/48/739332248.db2.gz RSSNOUWPZZGYPX-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001020676103 739856310 /nfs/dbraw/zinc/85/63/10/739856310.db2.gz RHFADMKOLJEBQZ-RBSFLKMASA-N 1 3 279.428 1.672 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034042904 740165682 /nfs/dbraw/zinc/16/56/82/740165682.db2.gz RSNBYRKECNFUND-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034042904 740165688 /nfs/dbraw/zinc/16/56/88/740165688.db2.gz RSNBYRKECNFUND-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303872544 740660610 /nfs/dbraw/zinc/66/06/10/740660610.db2.gz CBIACMNXPXHRPZ-CYBMUJFWSA-N 1 3 270.421 1.001 20 30 CDEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039460029 740980774 /nfs/dbraw/zinc/98/07/74/740980774.db2.gz VPIOBSPTIWXDPC-XHSDSOJGSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460029 740980779 /nfs/dbraw/zinc/98/07/79/740980779.db2.gz VPIOBSPTIWXDPC-XHSDSOJGSA-N 1 3 291.439 1.580 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041353438 741001825 /nfs/dbraw/zinc/00/18/25/741001825.db2.gz HNIRYPXMNVJWGA-QGZVFWFLSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041353438 741001830 /nfs/dbraw/zinc/00/18/30/741001830.db2.gz HNIRYPXMNVJWGA-QGZVFWFLSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128790 741208779 /nfs/dbraw/zinc/20/87/79/741208779.db2.gz KIESBASXKXAQME-CVEARBPZSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879634 741811628 /nfs/dbraw/zinc/81/16/28/741811628.db2.gz VSDGVCRESGNHIF-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879634 741811631 /nfs/dbraw/zinc/81/16/31/741811631.db2.gz VSDGVCRESGNHIF-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357958 741859138 /nfs/dbraw/zinc/85/91/38/741859138.db2.gz JPFKIAKCBONBME-DOTOQJQBSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357958 741859140 /nfs/dbraw/zinc/85/91/40/741859140.db2.gz JPFKIAKCBONBME-DOTOQJQBSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000876749287 741914320 /nfs/dbraw/zinc/91/43/20/741914320.db2.gz MQRPMRTWEHYMMD-LLVKDONJSA-N 1 3 259.781 1.057 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000876749287 741914326 /nfs/dbraw/zinc/91/43/26/741914326.db2.gz MQRPMRTWEHYMMD-LLVKDONJSA-N 1 3 259.781 1.057 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990244947 742229395 /nfs/dbraw/zinc/22/93/95/742229395.db2.gz RELJDBMQURSXFP-ZDUSSCGKSA-N 1 3 285.819 1.414 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330848 742331494 /nfs/dbraw/zinc/33/14/94/742331494.db2.gz UWLGRIPJGSGQEG-LZWOXQAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330848 742331498 /nfs/dbraw/zinc/33/14/98/742331498.db2.gz UWLGRIPJGSGQEG-LZWOXQAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526214 742357569 /nfs/dbraw/zinc/35/75/69/742357569.db2.gz VYXUTCPAPSRRMI-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526214 742357576 /nfs/dbraw/zinc/35/75/76/742357576.db2.gz VYXUTCPAPSRRMI-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001023403280 739252455 /nfs/dbraw/zinc/25/24/55/739252455.db2.gz IMEXKDZLJJYXTL-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023403280 739252462 /nfs/dbraw/zinc/25/24/62/739252462.db2.gz IMEXKDZLJJYXTL-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000303897922 739569623 /nfs/dbraw/zinc/56/96/23/739569623.db2.gz QVIQVQCYJWNYOF-OLZOCXBDSA-N 1 3 254.422 1.954 20 30 CDEDHO CC[NH+]=C(NC[C@@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000103895900 739843947 /nfs/dbraw/zinc/84/39/47/739843947.db2.gz ICCKAGYCBGUJHT-CQSZACIVSA-N 1 3 297.491 1.224 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001000101467 741467566 /nfs/dbraw/zinc/46/75/66/741467566.db2.gz FFKINQUFWVXFPH-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575784 742108277 /nfs/dbraw/zinc/10/82/77/742108277.db2.gz DVZIACPDUYTGNO-CABCVRRESA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027575784 742108281 /nfs/dbraw/zinc/10/82/81/742108281.db2.gz DVZIACPDUYTGNO-CABCVRRESA-N 1 3 277.412 1.027 20 30 CDEDHO CN(C)C(=[NH+]C[C@H]1N(C)CCCC1(C)C)N(C)C ZINC000849024412 742131426 /nfs/dbraw/zinc/13/14/26/742131426.db2.gz WJZRHFKESNUQEQ-GFCCVEGCSA-N 1 3 254.422 1.586 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1F ZINC000130590955 742295946 /nfs/dbraw/zinc/29/59/46/742295946.db2.gz ZUHGKSDUGYBHQC-NSHDSACASA-N 1 3 279.363 1.109 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC000986956095 742837078 /nfs/dbraw/zinc/83/70/78/742837078.db2.gz JOXJYCBMPHDBTK-KGLIPLIRSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175785896 913785907 /nfs/dbraw/zinc/78/59/07/913785907.db2.gz GGTMRESLVPNBFT-HNNXBMFYSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175785883 913786062 /nfs/dbraw/zinc/78/60/62/913786062.db2.gz GEQLWMYACIJBEO-HNNXBMFYSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176285987 914018268 /nfs/dbraw/zinc/01/82/68/914018268.db2.gz SAFILAZDLOLDLK-HNNXBMFYSA-N 1 3 281.444 1.616 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666267 914114724 /nfs/dbraw/zinc/11/47/24/914114724.db2.gz IMZXHJVKMHJNFE-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668974 914122451 /nfs/dbraw/zinc/12/24/51/914122451.db2.gz SGIQXISSLRSPSC-HUUCEWRRSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699664 905768448 /nfs/dbraw/zinc/76/84/48/905768448.db2.gz FMCLWYOOZOEXDC-YHUYYLMFSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699664 905768456 /nfs/dbraw/zinc/76/84/56/905768456.db2.gz FMCLWYOOZOEXDC-YHUYYLMFSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369768 916321612 /nfs/dbraw/zinc/32/16/12/916321612.db2.gz WMHVXHQGXZFDSV-UHFFFAOYSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181727917 917306079 /nfs/dbraw/zinc/30/60/79/917306079.db2.gz GFFYORPOOJLXDY-GDBMZVCRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578197 919196405 /nfs/dbraw/zinc/19/64/05/919196405.db2.gz SGHQJDJJXTYNLJ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185536737 919664880 /nfs/dbraw/zinc/66/48/80/919664880.db2.gz OXWJNBWNZAYENJ-CABCVRRESA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185751021 919755198 /nfs/dbraw/zinc/75/51/98/919755198.db2.gz NOHPEOKZQLTCQP-JKSUJKDBSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273542744 920569522 /nfs/dbraw/zinc/56/95/22/920569522.db2.gz ZMKDHHIYCZHFNJ-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273542744 920569535 /nfs/dbraw/zinc/56/95/35/920569535.db2.gz ZMKDHHIYCZHFNJ-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C=CCOCC[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203009960 936684374 /nfs/dbraw/zinc/68/43/74/936684374.db2.gz CVEOJSREQCIVRC-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190444623 921997549 /nfs/dbraw/zinc/99/75/49/921997549.db2.gz RPXCPLVLMNMVIR-ZIAGYGMSSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190444623 921997559 /nfs/dbraw/zinc/99/75/59/921997559.db2.gz RPXCPLVLMNMVIR-ZIAGYGMSSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353849 923026775 /nfs/dbraw/zinc/02/67/75/923026775.db2.gz INFZAIMHPODGBA-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353849 923026790 /nfs/dbraw/zinc/02/67/90/923026790.db2.gz INFZAIMHPODGBA-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192960776 923340243 /nfs/dbraw/zinc/34/02/43/923340243.db2.gz UMTNWMRBICUFNK-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192960776 923340255 /nfs/dbraw/zinc/34/02/55/923340255.db2.gz UMTNWMRBICUFNK-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443967 937141994 /nfs/dbraw/zinc/14/19/94/937141994.db2.gz URYFPIBAFOOKBI-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443967 937141996 /nfs/dbraw/zinc/14/19/96/937141996.db2.gz URYFPIBAFOOKBI-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134759593 929887796 /nfs/dbraw/zinc/88/77/96/929887796.db2.gz UPFDDVIJDIRSOV-CYBMUJFWSA-N 1 3 253.390 1.141 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475983 930226828 /nfs/dbraw/zinc/22/68/28/930226828.db2.gz HOCNGZAOCCVQOI-HUUCEWRRSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777318 937419000 /nfs/dbraw/zinc/41/90/00/937419000.db2.gz QRMRANLDVOACGA-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135976780 930587542 /nfs/dbraw/zinc/58/75/42/930587542.db2.gz NQADSGCXBHFJFK-QWHCGFSZSA-N 1 3 255.406 1.387 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031473 930611679 /nfs/dbraw/zinc/61/16/79/930611679.db2.gz LPDXVSRHDMRHNP-WDEREUQCSA-N 1 3 264.373 1.320 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001143360253 931508794 /nfs/dbraw/zinc/50/87/94/931508794.db2.gz FUNHTLFBPBTNLC-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCOc1ccc(C(=O)N(CCCC[NH3+])C(=N)N)cc1 ZINC001148467855 932713191 /nfs/dbraw/zinc/71/31/91/932713191.db2.gz CRJIILTUXMPMKI-UHFFFAOYSA-N 1 3 290.367 1.326 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740868 932763949 /nfs/dbraw/zinc/76/39/49/932763949.db2.gz NAPHTHUZBOODPU-PBHICJAKSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740868 932763957 /nfs/dbraw/zinc/76/39/57/932763957.db2.gz NAPHTHUZBOODPU-PBHICJAKSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095965546 935848267 /nfs/dbraw/zinc/84/82/67/935848267.db2.gz UDNRJUDMNQUZIW-PMPSAXMXSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121234378 937863045 /nfs/dbraw/zinc/86/30/45/937863045.db2.gz ZJRQLORFRUQLCO-UHFFFAOYSA-N 1 3 291.439 1.674 20 30 CDEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121289484 937865649 /nfs/dbraw/zinc/86/56/49/937865649.db2.gz UQFSDSWXGONFTL-UKEPKTAJSA-N 1 3 293.455 1.920 20 30 CDEDHO N#Cc1c(Nc2ccc(CN)nc2)ncc2c1CCC[NH2+]C2 ZINC001160397609 938784121 /nfs/dbraw/zinc/78/41/21/938784121.db2.gz WYLYHAPWPQROJE-UHFFFAOYSA-N 1 3 294.362 1.586 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161870077 938937899 /nfs/dbraw/zinc/93/78/99/938937899.db2.gz URWMSJMQQRJPFS-MRXNPFEDSA-N 1 3 289.423 1.100 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161870077 938937901 /nfs/dbraw/zinc/93/79/01/938937901.db2.gz URWMSJMQQRJPFS-MRXNPFEDSA-N 1 3 289.423 1.100 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165809366 939577561 /nfs/dbraw/zinc/57/75/61/939577561.db2.gz ALYROGOVPHMTRN-UHFFFAOYSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206952253 940117308 /nfs/dbraw/zinc/11/73/08/940117308.db2.gz GRYBULPDIHTHSH-UHFFFAOYSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCCCC[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001209204860 940447473 /nfs/dbraw/zinc/44/74/73/940447473.db2.gz KQYLOPUQSUKOLI-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=CCCCC[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001209204860 940447475 /nfs/dbraw/zinc/44/74/75/940447475.db2.gz KQYLOPUQSUKOLI-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211282849 940745779 /nfs/dbraw/zinc/74/57/79/940745779.db2.gz DGVSXWZNQYTKBU-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860923 940841424 /nfs/dbraw/zinc/84/14/24/940841424.db2.gz BIESVOZQPGVBHO-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO N#Cc1cccc(NC(=O)NCCC[NH2+]CCCN)c1 ZINC001239252458 945365029 /nfs/dbraw/zinc/36/50/29/945365029.db2.gz DLTGOFIRGRZXKI-UHFFFAOYSA-N 1 3 275.356 1.008 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219640628 941367932 /nfs/dbraw/zinc/36/79/32/941367932.db2.gz BATKDBSVIIMIAQ-KFWWJZLASA-N 1 3 281.444 1.812 20 30 CDEDHO N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220596945 941457170 /nfs/dbraw/zinc/45/71/70/941457170.db2.gz OQUYFLVDHKEXCA-LSDHHAIUSA-N 1 3 286.379 1.118 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001220868333 941478952 /nfs/dbraw/zinc/47/89/52/941478952.db2.gz GOEFHLYUSMPPRO-HZSPNIEDSA-N 1 3 265.401 1.141 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001223597873 941687589 /nfs/dbraw/zinc/68/75/89/941687589.db2.gz PRSJSFOFVIQOGE-OAHLLOKOSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCOCC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001227986753 942252344 /nfs/dbraw/zinc/25/23/44/942252344.db2.gz MDUZVVWDRKRGCV-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO O=C1C=C2CN([C@H]3CC4CC[NH+](CC4)C3)CCC2S1 ZINC001254857230 947633127 /nfs/dbraw/zinc/63/31/27/947633127.db2.gz ZCGNQYNMLNJKNT-KBPBESRZSA-N 1 3 278.421 1.745 20 30 CDEDHO CCCCCCCC[C@H](O)CN1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246036903 947913170 /nfs/dbraw/zinc/91/31/70/947913170.db2.gz ZTDXLYZJYFZTBL-BYNSBNAKSA-N 1 3 254.418 1.987 20 30 CDEDHO C[C@]1(CN)CCCC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)C1 ZINC001246597679 948335126 /nfs/dbraw/zinc/33/51/26/948335126.db2.gz YHXZREZEVRPNEB-BFHYXJOUSA-N 1 3 250.390 1.081 20 30 CDEDHO C[C@]1(CN)CCCC[N@H+]([C@@H]2CCN[C@H](C#N)C2)C1 ZINC001246597679 948335136 /nfs/dbraw/zinc/33/51/36/948335136.db2.gz YHXZREZEVRPNEB-BFHYXJOUSA-N 1 3 250.390 1.081 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC001340853548 963156506 /nfs/dbraw/zinc/15/65/06/963156506.db2.gz NKVILBHVFVBVNQ-KGLIPLIRSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001340853548 963156514 /nfs/dbraw/zinc/15/65/14/963156514.db2.gz NKVILBHVFVBVNQ-KGLIPLIRSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001342144813 963654824 /nfs/dbraw/zinc/65/48/24/963654824.db2.gz MWNVQOURWRKAHS-GJZGRUSLSA-N 1 3 281.444 1.907 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133191663 1163602723 /nfs/dbraw/zinc/60/27/23/1163602723.db2.gz RFBUUDYBFCSMSC-LSDHHAIUSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCCSCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000596649242 343370611 /nfs/dbraw/zinc/37/06/11/343370611.db2.gz DDJASXGSODDFRI-FRRDWIJNSA-N 1 3 258.431 1.638 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000600768894 349878790 /nfs/dbraw/zinc/87/87/90/349878790.db2.gz HQFFBJQXVKRWLA-CHWSQXEVSA-N 1 3 259.353 1.973 20 30 CDEDHO C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CN1CCCCC1 ZINC000598721130 343883555 /nfs/dbraw/zinc/88/35/55/343883555.db2.gz SQGCEYKYFVFIIM-CABCVRRESA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@H](CNC[C@@H](O)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000598721130 343883557 /nfs/dbraw/zinc/88/35/57/343883557.db2.gz SQGCEYKYFVFIIM-CABCVRRESA-N 1 3 281.444 1.999 20 30 CDEDHO Cc1cc(C[NH2+]CCCN(C)CCN(C)C)ccc1C#N ZINC000598918725 343926575 /nfs/dbraw/zinc/92/65/75/343926575.db2.gz XGFQFCNMEPMYQV-UHFFFAOYSA-N 1 3 288.439 1.840 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000264055062 362953991 /nfs/dbraw/zinc/95/39/91/362953991.db2.gz AJCAFIADKBEILZ-OAHLLOKOSA-N 1 3 274.412 1.618 20 30 CDEDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C#N)c1 ZINC000271859922 191374518 /nfs/dbraw/zinc/37/45/18/191374518.db2.gz KCYUYKVOIZZMDF-CYBMUJFWSA-N 1 3 273.380 1.666 20 30 CDEDHO N#CCC[C@@H](C#N)CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000582421096 370617759 /nfs/dbraw/zinc/61/77/59/370617759.db2.gz WNIFMGJKNJYGDI-LSDHHAIUSA-N 1 3 278.400 1.256 20 30 CDEDHO N#CCC[C@@H](C#N)CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000582421096 370617763 /nfs/dbraw/zinc/61/77/63/370617763.db2.gz WNIFMGJKNJYGDI-LSDHHAIUSA-N 1 3 278.400 1.256 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661650739 1172422270 /nfs/dbraw/zinc/42/22/70/1172422270.db2.gz WYKRJRMTMOHXKV-HZSPNIEDSA-N 1 3 267.417 1.386 20 30 CDEDHO Cn1cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1C#N ZINC000276984125 374764677 /nfs/dbraw/zinc/76/46/77/374764677.db2.gz UFWSRZJDSRSHBW-LSDHHAIUSA-N 1 3 258.369 1.613 20 30 CDEDHO CN(C(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000195290670 375999766 /nfs/dbraw/zinc/99/97/66/375999766.db2.gz WZKMLDSZOUUKOF-OAHLLOKOSA-N 1 3 286.423 1.917 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247924687 377183571 /nfs/dbraw/zinc/18/35/71/377183571.db2.gz BLYGZXCEBIXAGW-QLFBSQMISA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247924687 377183577 /nfs/dbraw/zinc/18/35/77/377183577.db2.gz BLYGZXCEBIXAGW-QLFBSQMISA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247924687 377183583 /nfs/dbraw/zinc/18/35/83/377183583.db2.gz BLYGZXCEBIXAGW-QLFBSQMISA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247924687 377183588 /nfs/dbraw/zinc/18/35/88/377183588.db2.gz BLYGZXCEBIXAGW-QLFBSQMISA-N 1 3 252.402 1.730 20 30 CDEDHO C=C[C@@H](CO)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995667 378357911 /nfs/dbraw/zinc/35/79/11/378357911.db2.gz YUGNFAVVXBPBOQ-HIFRSBDPSA-N 1 3 278.396 1.825 20 30 CDEDHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442771449 378522357 /nfs/dbraw/zinc/52/23/57/378522357.db2.gz TVKHRCNFRBCTTL-SOUVJXGZSA-N 1 3 265.401 1.361 20 30 CDEDHO CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)N(C)C ZINC000413229729 391719963 /nfs/dbraw/zinc/71/99/63/391719963.db2.gz KOXIFEYVBIPUBE-CYBMUJFWSA-N 1 3 268.405 1.021 20 30 CDEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCC#N ZINC000371292626 267383228 /nfs/dbraw/zinc/38/32/28/267383228.db2.gz CNODBCWMKXTDEZ-RBSFLKMASA-N 1 3 265.401 1.864 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1F ZINC000264147338 328157672 /nfs/dbraw/zinc/15/76/72/328157672.db2.gz YHZSQAFPERRQKU-CYBMUJFWSA-N 1 3 278.375 1.714 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449348015 327165975 /nfs/dbraw/zinc/16/59/75/327165975.db2.gz SPVYDIHGFYCOOP-HIFRSBDPSA-N 1 3 279.428 1.661 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC1(C)C ZINC000262398713 330012539 /nfs/dbraw/zinc/01/25/39/330012539.db2.gz NGSUTWYEEVRSGU-NWDGAFQWSA-N 1 3 252.406 1.421 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C)C1 ZINC000262486496 330016944 /nfs/dbraw/zinc/01/69/44/330016944.db2.gz SRZFQZDUAVSFQW-MELADBBJSA-N 1 3 266.433 1.811 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@@H]2CCCN2C2CCCCC2)N1 ZINC000262682524 330026734 /nfs/dbraw/zinc/02/67/34/330026734.db2.gz WWGKYJQJQJWEFU-JSGCOSHPSA-N 1 3 264.417 1.721 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000263154253 330046405 /nfs/dbraw/zinc/04/64/05/330046405.db2.gz MOAGURMEFUTSTE-DGAVXFQQSA-N 1 3 296.459 1.435 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422857959 330157757 /nfs/dbraw/zinc/15/77/57/330157757.db2.gz HUWMJQXIQMDZGK-HIFRSBDPSA-N 1 3 251.418 1.615 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000424078850 330221348 /nfs/dbraw/zinc/22/13/48/330221348.db2.gz QKQPQSKBSRMELT-STQMWFEESA-N 1 3 266.389 1.031 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001754806956 1159461796 /nfs/dbraw/zinc/46/17/96/1159461796.db2.gz JTFQHKXFNIJPBS-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088381548 1160392173 /nfs/dbraw/zinc/39/21/73/1160392173.db2.gz GYABKJMOGGIEAN-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])N1CCC(C)CC1)N1CCCC1 ZINC000303373949 483143895 /nfs/dbraw/zinc/14/38/95/483143895.db2.gz MXYVYNVQMHPXAI-AWEZNQCLSA-N 1 3 266.433 1.907 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127321978 1161144746 /nfs/dbraw/zinc/14/47/46/1161144746.db2.gz IVNAXCOLVMBVLP-UHFFFAOYSA-N 1 3 267.417 1.533 20 30 CDEDHO C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CCN1C ZINC000753930843 576866744 /nfs/dbraw/zinc/86/67/44/576866744.db2.gz XAJCWYLBDVTGRO-RTXFEEFZSA-N 1 3 263.389 1.317 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000747403916 576868843 /nfs/dbraw/zinc/86/88/43/576868843.db2.gz APDGGVJHWSHZGY-GJZGRUSLSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968547873 613333416 /nfs/dbraw/zinc/33/34/16/613333416.db2.gz BCVQUTRGYALYLG-LSDHHAIUSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982016542 613679714 /nfs/dbraw/zinc/67/97/14/613679714.db2.gz NQVZOVSFBHICQS-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982016542 613679716 /nfs/dbraw/zinc/67/97/16/613679716.db2.gz NQVZOVSFBHICQS-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[NH2+]C1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000963912373 613859325 /nfs/dbraw/zinc/85/93/25/613859325.db2.gz KLZIEKPCWJYILB-FHERZECASA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911726218 629443869 /nfs/dbraw/zinc/44/38/69/629443869.db2.gz RTISKHSMFXUBEV-UPJWGTAASA-N 1 3 253.390 1.174 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750583 629468487 /nfs/dbraw/zinc/46/84/87/629468487.db2.gz DRSLNKHNWHHMOH-ZIAGYGMSSA-N 1 3 269.433 1.933 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000920458908 632782821 /nfs/dbraw/zinc/78/28/21/632782821.db2.gz MZGYOWKROAGOPS-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130203143 1162569606 /nfs/dbraw/zinc/56/96/06/1162569606.db2.gz GMKOCKAHKTUTQM-CHWSQXEVSA-N 1 3 255.406 1.387 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135062 1163580357 /nfs/dbraw/zinc/58/03/57/1163580357.db2.gz KZLUXGGQGUTGKC-KGLIPLIRSA-N 1 3 290.411 1.603 20 30 CDEDHO CN(C)CCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137114271 1165939960 /nfs/dbraw/zinc/93/99/60/1165939960.db2.gz CYYIMKKSHTZLSY-UHFFFAOYSA-N 1 3 261.369 1.972 20 30 CDEDHO CN(C)CCC[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137114271 1165939965 /nfs/dbraw/zinc/93/99/65/1165939965.db2.gz CYYIMKKSHTZLSY-UHFFFAOYSA-N 1 3 261.369 1.972 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154013126 1165963663 /nfs/dbraw/zinc/96/36/63/1165963663.db2.gz XRMGBRVWGKDHGR-CHWSQXEVSA-N 1 3 255.406 1.339 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154013126 1165963657 /nfs/dbraw/zinc/96/36/57/1165963657.db2.gz XRMGBRVWGKDHGR-CHWSQXEVSA-N 1 3 255.406 1.339 20 30 CDEDHO C=CCN(C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001753074163 1185041139 /nfs/dbraw/zinc/04/11/39/1185041139.db2.gz BHXCPLVERORQFE-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001755712919 1186043967 /nfs/dbraw/zinc/04/39/67/1186043967.db2.gz RVJAFPAFHKDBTO-ARFHVFGLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737887 742849833 /nfs/dbraw/zinc/84/98/33/742849833.db2.gz XLOQURFDXVWHRY-GDBMZVCRSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737887 742849834 /nfs/dbraw/zinc/84/98/34/742849834.db2.gz XLOQURFDXVWHRY-GDBMZVCRSA-N 1 3 289.423 1.027 20 30 CDEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040260435 742855119 /nfs/dbraw/zinc/85/51/19/742855119.db2.gz FCPPGNLLJSMZSA-NVXWUHKLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040260435 742855120 /nfs/dbraw/zinc/85/51/20/742855120.db2.gz FCPPGNLLJSMZSA-NVXWUHKLSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422920 743068851 /nfs/dbraw/zinc/06/88/51/743068851.db2.gz ANSPUAMUXJMEGQ-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997422920 743068862 /nfs/dbraw/zinc/06/88/62/743068862.db2.gz ANSPUAMUXJMEGQ-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081144 743269049 /nfs/dbraw/zinc/26/90/49/743269049.db2.gz HHIPFQFUDGZMFA-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000886208920 745285743 /nfs/dbraw/zinc/28/57/43/745285743.db2.gz ADRUMHDXTNULGQ-PMPSAXMXSA-N 1 3 261.413 1.300 20 30 CDEDHO C#CCN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000886208920 745285749 /nfs/dbraw/zinc/28/57/49/745285749.db2.gz ADRUMHDXTNULGQ-PMPSAXMXSA-N 1 3 261.413 1.300 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996301207 745308697 /nfs/dbraw/zinc/30/86/97/745308697.db2.gz SDWMSAYTSBXODP-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145331 745637198 /nfs/dbraw/zinc/63/71/98/745637198.db2.gz LSYJYXMAHWOSHI-MGPQQGTHSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145331 745637207 /nfs/dbraw/zinc/63/72/07/745637207.db2.gz LSYJYXMAHWOSHI-MGPQQGTHSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510596 745849172 /nfs/dbraw/zinc/84/91/72/745849172.db2.gz RYLIKMQUDHDUAR-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009510596 745849173 /nfs/dbraw/zinc/84/91/73/745849173.db2.gz RYLIKMQUDHDUAR-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001020213963 746032994 /nfs/dbraw/zinc/03/29/94/746032994.db2.gz BTPDQZITEJBCEU-IHRRRGAJSA-N 1 3 299.846 1.850 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001020213963 746033001 /nfs/dbraw/zinc/03/30/01/746033001.db2.gz BTPDQZITEJBCEU-IHRRRGAJSA-N 1 3 299.846 1.850 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996299804 746034461 /nfs/dbraw/zinc/03/44/61/746034461.db2.gz DNFYNPYRGZVXEU-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035851549 746083431 /nfs/dbraw/zinc/08/34/31/746083431.db2.gz QFQGZEMHGPRQFA-UHFFFAOYSA-N 1 3 289.423 1.030 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036192169 746812696 /nfs/dbraw/zinc/81/26/96/746812696.db2.gz IXSHMUZWDMDZRY-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999374620 747010829 /nfs/dbraw/zinc/01/08/29/747010829.db2.gz RSSNOUWPZZGYPX-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO CC(C)CNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000303896764 747454057 /nfs/dbraw/zinc/45/40/57/747454057.db2.gz QEIRPPDUMJELLP-UHFFFAOYSA-N 1 3 288.439 1.995 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327094 747533731 /nfs/dbraw/zinc/53/37/31/747533731.db2.gz CEOMEQUDFHJHJL-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327094 747533748 /nfs/dbraw/zinc/53/37/48/747533748.db2.gz CEOMEQUDFHJHJL-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000848719376 747688569 /nfs/dbraw/zinc/68/85/69/747688569.db2.gz CNSLWBDOZSRARH-ZIAGYGMSSA-N 1 3 259.353 1.926 20 30 CDEDHO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000923381590 747721591 /nfs/dbraw/zinc/72/15/91/747721591.db2.gz JPYJCGUBCADPRF-FVQBIDKESA-N 1 3 289.379 1.157 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000104167969 747841511 /nfs/dbraw/zinc/84/15/11/747841511.db2.gz ADMXYBRBJQJNIP-STQMWFEESA-N 1 3 254.422 1.763 20 30 CDEDHO CCCC1(CNC(=[NH2+])NC[C@H]2CCCN2CC)CC1 ZINC000305098314 747863813 /nfs/dbraw/zinc/86/38/13/747863813.db2.gz WOXWRGHMWCAFGX-CYBMUJFWSA-N 1 3 266.433 1.955 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990276906 748184126 /nfs/dbraw/zinc/18/41/26/748184126.db2.gz KUFQGYMALIDVQA-CQSZACIVSA-N 1 3 265.401 1.237 20 30 CDEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCCC3)C2)C1 ZINC001041833775 748847867 /nfs/dbraw/zinc/84/78/67/748847867.db2.gz UBYANYFQKFWLAH-KRWDZBQOSA-N 1 3 289.423 1.030 20 30 CDEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCCC3)C2)C1 ZINC001041833775 748847872 /nfs/dbraw/zinc/84/78/72/748847872.db2.gz UBYANYFQKFWLAH-KRWDZBQOSA-N 1 3 289.423 1.030 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000840506012 749045925 /nfs/dbraw/zinc/04/59/25/749045925.db2.gz BCQJMLABNAPQPZ-UHFFFAOYSA-N 1 3 279.359 1.944 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052430417 749204706 /nfs/dbraw/zinc/20/47/06/749204706.db2.gz SDLNWYOBEDXTCI-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052430417 749204725 /nfs/dbraw/zinc/20/47/25/749204725.db2.gz SDLNWYOBEDXTCI-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)C[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001026561399 749217413 /nfs/dbraw/zinc/21/74/13/749217413.db2.gz ZERQTBMXLDNXLN-FHERZECASA-N 1 3 293.455 1.921 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001037860062 749307702 /nfs/dbraw/zinc/30/77/02/749307702.db2.gz MRIDPZSBIQEYDJ-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176285104 914015820 /nfs/dbraw/zinc/01/58/20/914015820.db2.gz MXDCJQQQHMUFKD-HNNXBMFYSA-N 1 3 281.444 1.616 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067303 899845581 /nfs/dbraw/zinc/84/55/81/899845581.db2.gz WCDWUTPFDZQWDB-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391158 921455654 /nfs/dbraw/zinc/45/56/54/921455654.db2.gz WNGMEHRRHPEADB-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189391158 921455660 /nfs/dbraw/zinc/45/56/60/921455660.db2.gz WNGMEHRRHPEADB-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)N[O-] ZINC001168314261 908984376 /nfs/dbraw/zinc/98/43/76/908984376.db2.gz AFDXOBIQKHMZNR-WTIISPKJSA-N 1 3 271.405 1.369 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178360924 915395933 /nfs/dbraw/zinc/39/59/33/915395933.db2.gz SQANXFKDORMZCW-KKUMJFAQSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698701 915586456 /nfs/dbraw/zinc/58/64/56/915586456.db2.gz RGTBNQSQELASCU-OAHLLOKOSA-N 1 3 279.428 1.226 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)[C@H]1C ZINC001178813258 915637063 /nfs/dbraw/zinc/63/70/63/915637063.db2.gz DIGMKYGDQPYHIH-ZNMIVQPWSA-N 1 3 297.418 1.269 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178815962 915662719 /nfs/dbraw/zinc/66/27/19/915662719.db2.gz PXPDOIAFLNEDEX-CQSZACIVSA-N 1 3 267.417 1.226 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996301162 918244962 /nfs/dbraw/zinc/24/49/62/918244962.db2.gz QWJQKABNTKZPID-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273495140 919356822 /nfs/dbraw/zinc/35/68/22/919356822.db2.gz OSDNEDUOTNWWGG-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273495140 919356834 /nfs/dbraw/zinc/35/68/34/919356834.db2.gz OSDNEDUOTNWWGG-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185203228 919477485 /nfs/dbraw/zinc/47/74/85/919477485.db2.gz DYOSVCFAHMUGDJ-KBPBESRZSA-N 1 3 290.411 1.603 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185357700 919544975 /nfs/dbraw/zinc/54/49/75/919544975.db2.gz DSOZMXFVTNMPMR-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550732 923124492 /nfs/dbraw/zinc/12/44/92/923124492.db2.gz LAYYVRHDTCOOOY-UKRRQHHQSA-N 1 3 290.411 1.840 20 30 CDEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550732 923124497 /nfs/dbraw/zinc/12/44/97/923124497.db2.gz LAYYVRHDTCOOOY-UKRRQHHQSA-N 1 3 290.411 1.840 20 30 CDEDHO C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001273147648 923363458 /nfs/dbraw/zinc/36/34/58/923363458.db2.gz YEJBSIIDDXUBKR-UHFFFAOYSA-N 1 3 291.439 1.583 20 30 CDEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478491 936973981 /nfs/dbraw/zinc/97/39/81/936973981.db2.gz QMTIYDCARIIDFH-WBVHZDCISA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478491 936973983 /nfs/dbraw/zinc/97/39/83/936973983.db2.gz QMTIYDCARIIDFH-WBVHZDCISA-N 1 3 291.439 1.130 20 30 CDEDHO C=CCOCC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203924528 925588098 /nfs/dbraw/zinc/58/80/98/925588098.db2.gz BAICPZONXKZIOC-UHFFFAOYSA-N 1 3 297.443 1.110 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928531 926515305 /nfs/dbraw/zinc/51/53/05/926515305.db2.gz ZLHXWBGFLOVVPQ-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001488742965 926691464 /nfs/dbraw/zinc/69/14/64/926691464.db2.gz ZVBXQGAPSMQMOU-BETUJISGSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357934 928612054 /nfs/dbraw/zinc/61/20/54/928612054.db2.gz OCYKOEFTDKNLFM-CYBMUJFWSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717918 928615389 /nfs/dbraw/zinc/61/53/89/928615389.db2.gz YQLNQUPLHVZUEC-KKUMJFAQSA-N 1 3 293.455 1.872 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCC(C)(C)C)CC1 ZINC001152324090 937353136 /nfs/dbraw/zinc/35/31/36/937353136.db2.gz KBEWBDFWGDUGRI-UHFFFAOYSA-N 1 3 293.455 1.474 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001152324325 937353642 /nfs/dbraw/zinc/35/36/42/937353642.db2.gz QJHOUVPJIJBAIH-HNNXBMFYSA-N 1 3 291.439 1.392 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312395 937438556 /nfs/dbraw/zinc/43/85/56/937438556.db2.gz HZVSRXWEQFYGOP-HUUCEWRRSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312395 937438558 /nfs/dbraw/zinc/43/85/58/937438558.db2.gz HZVSRXWEQFYGOP-HUUCEWRRSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148297726 932687672 /nfs/dbraw/zinc/68/76/72/932687672.db2.gz AYPHHXPOIIQXQG-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001148297726 932687673 /nfs/dbraw/zinc/68/76/73/932687673.db2.gz AYPHHXPOIIQXQG-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900382 937686249 /nfs/dbraw/zinc/68/62/49/937686249.db2.gz POIKEJYAGBOHAX-CYBMUJFWSA-N 1 3 255.406 1.341 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900382 937686250 /nfs/dbraw/zinc/68/62/50/937686250.db2.gz POIKEJYAGBOHAX-CYBMUJFWSA-N 1 3 255.406 1.341 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230244 934289496 /nfs/dbraw/zinc/28/94/96/934289496.db2.gz JRBADOYMHWCQSY-KFWWJZLASA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230244 934289506 /nfs/dbraw/zinc/28/95/06/934289506.db2.gz JRBADOYMHWCQSY-KFWWJZLASA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096348429 936048084 /nfs/dbraw/zinc/04/80/84/936048084.db2.gz OLKUEKBDHZQJPM-FZKCQIBNSA-N 1 3 291.439 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096348429 936048086 /nfs/dbraw/zinc/04/80/86/936048086.db2.gz OLKUEKBDHZQJPM-FZKCQIBNSA-N 1 3 291.439 1.626 20 30 CDEDHO C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001157803308 938547862 /nfs/dbraw/zinc/54/78/62/938547862.db2.gz BVYUKOIXRGASFB-DFBGVHRSSA-N 1 3 286.379 1.144 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158426005 938623425 /nfs/dbraw/zinc/62/34/25/938623425.db2.gz YOHSTZPGFJNYLB-BFHYXJOUSA-N 1 3 265.401 1.413 20 30 CDEDHO N#Cc1c2c(sc1NC1=CNCCC1)C[NH2+]CC2 ZINC001159159195 938707262 /nfs/dbraw/zinc/70/72/62/938707262.db2.gz BFIPBNBNRASGLP-UHFFFAOYSA-N 1 3 260.366 1.902 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379177 938783168 /nfs/dbraw/zinc/78/31/68/938783168.db2.gz DDJOCTZJHSSVLP-UHFFFAOYSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379177 938783170 /nfs/dbraw/zinc/78/31/70/938783170.db2.gz DDJOCTZJHSSVLP-UHFFFAOYSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C1CCCCC1 ZINC001161247788 938882069 /nfs/dbraw/zinc/88/20/69/938882069.db2.gz KFLUBKIRMYKPEB-OAHLLOKOSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714267 939701198 /nfs/dbraw/zinc/70/11/98/939701198.db2.gz KWGFEQDWBGGMGQ-UHFFFAOYSA-N 1 3 279.428 1.629 20 30 CDEDHO C[NH+](C)CC(C)(C)CN1CCC2SC(=O)C=C2C1 ZINC001207278918 940174074 /nfs/dbraw/zinc/17/40/74/940174074.db2.gz HAMIRBRPAZIICM-LBPRGKRZSA-N 1 3 268.426 1.848 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414068 940329643 /nfs/dbraw/zinc/32/96/43/940329643.db2.gz HGRZFCUVQYMNEG-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO CCN1C[C@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208927739 940407934 /nfs/dbraw/zinc/40/79/34/940407934.db2.gz DPLOUNZOSZAFQP-IRXDYDNUSA-N 1 3 269.392 1.984 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668731 940624799 /nfs/dbraw/zinc/62/47/99/940624799.db2.gz HVLZOLVEVQDIJL-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214953026 940847410 /nfs/dbraw/zinc/84/74/10/940847410.db2.gz XFKKMSDLGHHMOW-RBSFLKMASA-N 1 3 281.444 1.729 20 30 CDEDHO C=C1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219028008 941301368 /nfs/dbraw/zinc/30/13/68/941301368.db2.gz LFLDONUABFYRRY-INIZCTEOSA-N 1 3 287.363 1.415 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219640630 941368006 /nfs/dbraw/zinc/36/80/06/941368006.db2.gz BATKDBSVIIMIAQ-ZNMIVQPWSA-N 1 3 281.444 1.812 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)C(C)(C)N(C)CC)CC1 ZINC001223653890 941690591 /nfs/dbraw/zinc/69/05/91/941690591.db2.gz FQUYNZAPNLGZQR-UHFFFAOYSA-N 1 3 293.455 1.568 20 30 CDEDHO CC#CCN1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260937 941735490 /nfs/dbraw/zinc/73/54/90/941735490.db2.gz NMILSDWSYTVKDK-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001263109559 943750780 /nfs/dbraw/zinc/75/07/80/943750780.db2.gz AOPQFBIJQSAENX-KKUMJFAQSA-N 1 3 279.428 1.518 20 30 CDEDHO C=CCOC(=O)N1CCC(CN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246464300 948188348 /nfs/dbraw/zinc/18/83/48/948188348.db2.gz HDYCVOZJHKKHGG-DZGCQCFKSA-N 1 3 295.427 1.751 20 30 CDEDHO C=CCC[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001492084980 955645750 /nfs/dbraw/zinc/64/57/50/955645750.db2.gz HLOOIXLTXQLJAH-KBPBESRZSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC001340103619 962743943 /nfs/dbraw/zinc/74/39/43/962743943.db2.gz AOFPAFJUZRYMAF-KGLIPLIRSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC001340103619 962743955 /nfs/dbraw/zinc/74/39/55/962743955.db2.gz AOFPAFJUZRYMAF-KGLIPLIRSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001343355055 963959320 /nfs/dbraw/zinc/95/93/20/963959320.db2.gz WDOKCDNXTNYYTK-CYBMUJFWSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001521464253 970299454 /nfs/dbraw/zinc/29/94/54/970299454.db2.gz RIXFUCKLTBLTPZ-LSDHHAIUSA-N 1 3 279.428 1.757 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887339 1163501715 /nfs/dbraw/zinc/50/17/15/1163501715.db2.gz DLODPPPIQPRFBU-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[C@]1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC001574517829 1170991097 /nfs/dbraw/zinc/99/10/97/1170991097.db2.gz QTNMUWXNRKJARV-ZMSDIMECSA-N 1 3 291.439 1.511 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000598715237 343881008 /nfs/dbraw/zinc/88/10/08/343881008.db2.gz NLRXHVLOSYOTJC-BFHYXJOUSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000598715237 343881010 /nfs/dbraw/zinc/88/10/10/343881010.db2.gz NLRXHVLOSYOTJC-BFHYXJOUSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602693933 344541529 /nfs/dbraw/zinc/54/15/29/344541529.db2.gz JTSPJXHMSPMTFD-GXTWGEPZSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C#N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000530809696 356766314 /nfs/dbraw/zinc/76/63/14/356766314.db2.gz UAKRWUBDMASAIM-KFWWJZLASA-N 1 3 292.427 1.163 20 30 CDEDHO CC(C#N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000530809696 356766317 /nfs/dbraw/zinc/76/63/17/356766317.db2.gz UAKRWUBDMASAIM-KFWWJZLASA-N 1 3 292.427 1.163 20 30 CDEDHO CC(C)[NH+]1CCC(O)(CNCc2cc(C#N)cs2)CC1 ZINC000344644739 357050723 /nfs/dbraw/zinc/05/07/23/357050723.db2.gz WYNMTBSSMJIJBD-UHFFFAOYSA-N 1 3 293.436 1.945 20 30 CDEDHO C[NH+]=C(NCc1nccs1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158372824 364045929 /nfs/dbraw/zinc/04/59/29/364045929.db2.gz MESHNXSETWJCAU-RYUDHWBXSA-N 1 3 295.456 1.537 20 30 CDEDHO CN(CCCN(C)Cc1ccc(C#N)s1)CC[NH+](C)C ZINC000290254636 365466883 /nfs/dbraw/zinc/46/68/83/365466883.db2.gz WBDFXHIYIRRVLG-UHFFFAOYSA-N 1 3 294.468 1.935 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000358810017 367906622 /nfs/dbraw/zinc/90/66/22/367906622.db2.gz IFWKJEHCDBNIHN-AWEZNQCLSA-N 1 3 296.459 1.666 20 30 CDEDHO CCNC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277291973 371215982 /nfs/dbraw/zinc/21/59/82/371215982.db2.gz KOPZHEVXRVWRCW-OAHLLOKOSA-N 1 3 290.411 1.202 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420906671 376460902 /nfs/dbraw/zinc/46/09/02/376460902.db2.gz CVANDIDZKICMHF-HNNXBMFYSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420906671 376460905 /nfs/dbraw/zinc/46/09/05/376460905.db2.gz CVANDIDZKICMHF-HNNXBMFYSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000518774608 391151442 /nfs/dbraw/zinc/15/14/42/391151442.db2.gz VLAGKOTUNQKCHE-INIZCTEOSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000518774608 391151444 /nfs/dbraw/zinc/15/14/44/391151444.db2.gz VLAGKOTUNQKCHE-INIZCTEOSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCOCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000339089418 391251175 /nfs/dbraw/zinc/25/11/75/391251175.db2.gz UXKCGYJKACBFBG-UHFFFAOYSA-N 1 3 295.471 1.539 20 30 CDEDHO CN(CCC#N)C(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000131724705 393069852 /nfs/dbraw/zinc/06/98/52/393069852.db2.gz YVEOUFCPIVRMKR-HNNXBMFYSA-N 1 3 294.443 1.555 20 30 CDEDHO CN(CCC#N)C(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000131724705 393069856 /nfs/dbraw/zinc/06/98/56/393069856.db2.gz YVEOUFCPIVRMKR-HNNXBMFYSA-N 1 3 294.443 1.555 20 30 CDEDHO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787163 413665862 /nfs/dbraw/zinc/66/58/62/413665862.db2.gz FBBDWGHBOSCGQQ-CABCVRRESA-N 1 3 279.428 1.472 20 30 CDEDHO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787163 413665870 /nfs/dbraw/zinc/66/58/70/413665870.db2.gz FBBDWGHBOSCGQQ-CABCVRRESA-N 1 3 279.428 1.472 20 30 CDEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C#N)CC2)CC1 ZINC000575136101 335071287 /nfs/dbraw/zinc/07/12/87/335071287.db2.gz UTMLIUIAINPKSK-ZDUSSCGKSA-N 1 3 292.427 1.211 20 30 CDEDHO C=CCN1CCC(NC(NCc2cccn2C)=[NH+]C)CC1 ZINC000262763438 328151851 /nfs/dbraw/zinc/15/18/51/328151851.db2.gz FCCNPIGCNXTNLP-UHFFFAOYSA-N 1 3 289.427 1.341 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000187805169 329360916 /nfs/dbraw/zinc/36/09/16/329360916.db2.gz PTKDMGQLAHZPBG-CQSZACIVSA-N 1 3 294.443 1.230 20 30 CDEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000188725615 329370764 /nfs/dbraw/zinc/37/07/64/329370764.db2.gz BNLOYXRSZCTBJX-ZNMIVQPWSA-N 1 3 297.418 1.501 20 30 CDEDHO C#CCNC(NC[C@]1(N(C)C)CCC[C@@H](C)C1)=[NH+]C ZINC000262631758 330023588 /nfs/dbraw/zinc/02/35/88/330023588.db2.gz LDCAOUOBOQVQOH-HIFRSBDPSA-N 1 3 264.417 1.295 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423096582 330169933 /nfs/dbraw/zinc/16/99/33/330169933.db2.gz PMIDPIKGNVJGON-KBXIAJHMSA-N 1 3 252.402 1.945 20 30 CDEDHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424079286 330221460 /nfs/dbraw/zinc/22/14/60/330221460.db2.gz RAERHZWGLAOXBN-SMDDNHRTSA-N 1 3 274.368 1.344 20 30 CDEDHO CCC[NH+]1CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424158582 330305565 /nfs/dbraw/zinc/30/55/65/330305565.db2.gz RHQKBUNOSDXQDW-AWEZNQCLSA-N 1 3 280.416 1.246 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491795745 332354865 /nfs/dbraw/zinc/35/48/65/332354865.db2.gz WVKHCFMIDPKDDT-GJZGRUSLSA-N 1 3 294.443 1.114 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000669464967 483173234 /nfs/dbraw/zinc/17/32/34/483173234.db2.gz RMVLFYBYUWYWMS-UHFFFAOYSA-N 1 3 294.443 1.550 20 30 CDEDHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001754337187 1185586188 /nfs/dbraw/zinc/58/61/88/1185586188.db2.gz TYCUTXAIVMVYCC-AWEZNQCLSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334905502 526430495 /nfs/dbraw/zinc/43/04/95/526430495.db2.gz BNUBBIJYKISKNT-INIZCTEOSA-N 1 3 292.427 1.032 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000353314146 526444851 /nfs/dbraw/zinc/44/48/51/526444851.db2.gz LEJJWUNMHQFJLH-HNNXBMFYSA-N 1 3 281.444 1.920 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC)C2)CC1 ZINC000981539872 613131208 /nfs/dbraw/zinc/13/12/08/613131208.db2.gz ACRKBHYMLDNTMV-JKSUJKDBSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947614977 613222144 /nfs/dbraw/zinc/22/21/44/613222144.db2.gz BWZLXSQPPZXHIQ-HUUCEWRRSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652385 613301901 /nfs/dbraw/zinc/30/19/01/613301901.db2.gz FCZVEJOBFIMERK-HOCLYGCPSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969652385 613301903 /nfs/dbraw/zinc/30/19/03/613301903.db2.gz FCZVEJOBFIMERK-HOCLYGCPSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972649859 613611606 /nfs/dbraw/zinc/61/16/06/613611606.db2.gz GBGDHMJIHLOZKX-MRXNPFEDSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673713 613618104 /nfs/dbraw/zinc/61/81/04/613618104.db2.gz JRRWCBBSKHAWRR-JKSUJKDBSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673713 613618106 /nfs/dbraw/zinc/61/81/06/613618106.db2.gz JRRWCBBSKHAWRR-JKSUJKDBSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000960264917 613840431 /nfs/dbraw/zinc/84/04/31/613840431.db2.gz JFYZKMCORUOEOC-CAOSSQGBSA-N 1 3 291.439 1.197 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960264917 613840432 /nfs/dbraw/zinc/84/04/32/613840432.db2.gz JFYZKMCORUOEOC-CAOSSQGBSA-N 1 3 291.439 1.197 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570772 628277349 /nfs/dbraw/zinc/27/73/49/628277349.db2.gz MTGOLTNCSNSUFC-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088381546 1160391767 /nfs/dbraw/zinc/39/17/67/1160391767.db2.gz GYABKJMOGGIEAN-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248185 1163210245 /nfs/dbraw/zinc/21/02/45/1163210245.db2.gz CRBJARMAVIAXDZ-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845987 1163932477 /nfs/dbraw/zinc/93/24/77/1163932477.db2.gz RGXPBHWPRFMPSY-ZDUSSCGKSA-N 1 3 253.390 1.000 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526953 1165018441 /nfs/dbraw/zinc/01/84/41/1165018441.db2.gz STKUTEHEGRRIAA-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001574603900 1170995810 /nfs/dbraw/zinc/99/58/10/1170995810.db2.gz HHFSNVFCNVKPGE-OAHLLOKOSA-N 1 3 267.417 1.069 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001752998152 1184988608 /nfs/dbraw/zinc/98/86/08/1184988608.db2.gz ZXJUASBHTDLRCD-HNNXBMFYSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001752998152 1184988612 /nfs/dbraw/zinc/98/86/12/1184988612.db2.gz ZXJUASBHTDLRCD-HNNXBMFYSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCNC/C=C/CNC(=O)CCC[NH+]1CCCCC1 ZINC001754208245 1185504033 /nfs/dbraw/zinc/50/40/33/1185504033.db2.gz ZHXKWSSUWHUBHZ-SNAWJCMRSA-N 1 3 277.412 1.148 20 30 CDEDHO C#CCNC/C=C\CNC(=O)CCC[NH+]1CCCCC1 ZINC001754208244 1185504051 /nfs/dbraw/zinc/50/40/51/1185504051.db2.gz ZHXKWSSUWHUBHZ-PLNGDYQASA-N 1 3 277.412 1.148 20 30 CDEDHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001754337187 1185586186 /nfs/dbraw/zinc/58/61/86/1185586186.db2.gz TYCUTXAIVMVYCC-AWEZNQCLSA-N 1 3 269.433 1.729 20 30 CDEDHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC)CC1 ZINC001754640898 1185690772 /nfs/dbraw/zinc/69/07/72/1185690772.db2.gz IUUWTEZFXUOKAU-UHFFFAOYSA-N 1 3 288.395 1.288 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001755267504 1185883919 /nfs/dbraw/zinc/88/39/19/1185883919.db2.gz BLOJJVRLXPVWEU-UONOGXRCSA-N 1 3 269.433 1.776 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001755676508 1186034200 /nfs/dbraw/zinc/03/42/00/1186034200.db2.gz QFNVLBAYWSCHLM-KGLIPLIRSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014475663 751441444 /nfs/dbraw/zinc/44/14/44/751441444.db2.gz MIIRGOCRAAQKIS-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014475663 751441451 /nfs/dbraw/zinc/44/14/51/751441451.db2.gz MIIRGOCRAAQKIS-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000991661 751452463 /nfs/dbraw/zinc/45/24/63/751452463.db2.gz JMQFZDYEQIUVES-MRXNPFEDSA-N 1 3 299.418 1.576 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCCOC ZINC000303986402 751833083 /nfs/dbraw/zinc/83/30/83/751833083.db2.gz UKXSFAMFABCOTH-CYBMUJFWSA-N 1 3 270.421 1.192 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CCOC ZINC000305817740 751845319 /nfs/dbraw/zinc/84/53/19/751845319.db2.gz NERHWLXAMLLWNR-CYBMUJFWSA-N 1 3 284.448 1.438 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303902122 751869393 /nfs/dbraw/zinc/86/93/93/751869393.db2.gz XQGDNLMOEAMKGL-LSDHHAIUSA-N 1 3 286.423 1.715 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001054734798 751921897 /nfs/dbraw/zinc/92/18/97/751921897.db2.gz DDBYBPGGMNLZSE-HIFRSBDPSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCOCC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531467 1165203821 /nfs/dbraw/zinc/20/38/21/1165203821.db2.gz GXRLQCDWYNXTSY-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO CCC(CC)[C@H](C[NH+]=C(N(C)C)N(C)C)N(C)C ZINC000303784837 749889931 /nfs/dbraw/zinc/88/99/31/749889931.db2.gz PTNTVHZSHJMLME-ZDUSSCGKSA-N 1 3 256.438 1.832 20 30 CDEDHO C=CCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000066245712 749939754 /nfs/dbraw/zinc/93/97/54/749939754.db2.gz DSRRCAGCGINYAH-TZMCWYRMSA-N 1 3 252.406 1.587 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000985801673 749984064 /nfs/dbraw/zinc/98/40/64/749984064.db2.gz IAEYPSHHNFVXFC-INIZCTEOSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000985801673 749984069 /nfs/dbraw/zinc/98/40/69/749984069.db2.gz IAEYPSHHNFVXFC-INIZCTEOSA-N 1 3 291.439 1.417 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CC ZINC000190534570 749998073 /nfs/dbraw/zinc/99/80/73/749998073.db2.gz DCGTXMOOVHSIFQ-GFCCVEGCSA-N 1 3 254.422 1.811 20 30 CDEDHO N#Cc1ccc([C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904435 750137637 /nfs/dbraw/zinc/13/76/37/750137637.db2.gz KODSIHCAMZMQOU-YOEHRIQHSA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037904435 750137649 /nfs/dbraw/zinc/13/76/49/750137649.db2.gz KODSIHCAMZMQOU-YOEHRIQHSA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037904435 750137661 /nfs/dbraw/zinc/13/76/61/750137661.db2.gz KODSIHCAMZMQOU-YOEHRIQHSA-N 1 3 285.391 1.666 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038437 750357920 /nfs/dbraw/zinc/35/79/20/750357920.db2.gz HJWSQHFHUCPWTD-OWCLPIDISA-N 1 3 293.455 1.539 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038437 750357931 /nfs/dbraw/zinc/35/79/31/750357931.db2.gz HJWSQHFHUCPWTD-OWCLPIDISA-N 1 3 293.455 1.539 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999833571 750798167 /nfs/dbraw/zinc/79/81/67/750798167.db2.gz ZKZRVKHCNWOCTA-HIFPTAJRSA-N 1 3 285.819 1.270 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999833571 750798179 /nfs/dbraw/zinc/79/81/79/750798179.db2.gz ZKZRVKHCNWOCTA-HIFPTAJRSA-N 1 3 285.819 1.270 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCSC ZINC000304739541 750808335 /nfs/dbraw/zinc/80/83/35/750808335.db2.gz XGZVFTDKGXVODH-LLVKDONJSA-N 1 3 258.435 1.128 20 30 CDEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997422928 750865348 /nfs/dbraw/zinc/86/53/48/750865348.db2.gz ANSPUAMUXJMEGQ-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997422928 750865350 /nfs/dbraw/zinc/86/53/50/750865350.db2.gz ANSPUAMUXJMEGQ-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO N#CCOc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817917453 752488383 /nfs/dbraw/zinc/48/83/83/752488383.db2.gz GVXYZXRMXUFKBZ-ZFWWWQNUSA-N 1 3 259.353 1.806 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016827520 752738233 /nfs/dbraw/zinc/73/82/33/752738233.db2.gz WVIAIPYYPBCCFE-LSDHHAIUSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688298 753106786 /nfs/dbraw/zinc/10/67/86/753106786.db2.gz SWVMTGLFKSZNBK-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688298 753106792 /nfs/dbraw/zinc/10/67/92/753106792.db2.gz SWVMTGLFKSZNBK-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480861 753562339 /nfs/dbraw/zinc/56/23/39/753562339.db2.gz GTLXNGCQCUJXOU-LVQVYYBASA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480861 753562350 /nfs/dbraw/zinc/56/23/50/753562350.db2.gz GTLXNGCQCUJXOU-LVQVYYBASA-N 1 3 291.439 1.578 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072953359 753808518 /nfs/dbraw/zinc/80/85/18/753808518.db2.gz ZWSQFNRNNMSRNO-OAHLLOKOSA-N 1 3 291.439 1.130 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996664690 753829413 /nfs/dbraw/zinc/82/94/13/753829413.db2.gz HJPIUQSCFASCHR-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001121944397 913276377 /nfs/dbraw/zinc/27/63/77/913276377.db2.gz QTHWDNNWSUJNMU-VXGBXAGGSA-N 1 3 253.390 1.174 20 30 CDEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312349 913852322 /nfs/dbraw/zinc/85/23/22/913852322.db2.gz CYLKMAFNIAIRMC-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282486943 894457375 /nfs/dbraw/zinc/45/73/75/894457375.db2.gz RUKAPZOEYZNPNJ-CHWSQXEVSA-N 1 3 255.406 1.195 20 30 CDEDHO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282486943 894457379 /nfs/dbraw/zinc/45/73/79/894457379.db2.gz RUKAPZOEYZNPNJ-CHWSQXEVSA-N 1 3 255.406 1.195 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167636691 897128099 /nfs/dbraw/zinc/12/80/99/897128099.db2.gz YAFRGUCJBKUBPZ-OAHLLOKOSA-N 1 3 279.428 1.369 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001020025672 899237010 /nfs/dbraw/zinc/23/70/10/899237010.db2.gz XZODAZQQIRJOBJ-SRVKXCTJSA-N 1 3 271.792 1.070 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCSCC1)N1CCCC[C@H]1C ZINC000262026764 904839734 /nfs/dbraw/zinc/83/97/34/904839734.db2.gz ZRBZVXJRJHDLMJ-CHWSQXEVSA-N 1 3 284.473 1.613 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)[C@H]1C ZINC001088605076 908215703 /nfs/dbraw/zinc/21/57/03/908215703.db2.gz GFESKIRLAREHJX-OWCLPIDISA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)[C@H]1C ZINC001088605076 908215715 /nfs/dbraw/zinc/21/57/15/908215715.db2.gz GFESKIRLAREHJX-OWCLPIDISA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001120456138 911952606 /nfs/dbraw/zinc/95/26/06/911952606.db2.gz PJYRPGVLWHJTHX-RWMBFGLXSA-N 1 3 253.390 1.304 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698861 915585899 /nfs/dbraw/zinc/58/58/99/915585899.db2.gz XJJGNOABAMIZFK-MRXNPFEDSA-N 1 3 293.455 1.616 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168615718 919511942 /nfs/dbraw/zinc/51/19/42/919511942.db2.gz STGDECZKKWJODT-UHFFFAOYSA-N 1 3 281.444 1.618 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731831 919859437 /nfs/dbraw/zinc/85/94/37/919859437.db2.gz QVXRNJMFMVYLSC-PMPSAXMXSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032731831 919859441 /nfs/dbraw/zinc/85/94/41/919859441.db2.gz QVXRNJMFMVYLSC-PMPSAXMXSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217082 922547446 /nfs/dbraw/zinc/54/74/46/922547446.db2.gz OPCBLJGUIVZPRT-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217082 922547455 /nfs/dbraw/zinc/54/74/55/922547455.db2.gz OPCBLJGUIVZPRT-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099120897 936779788 /nfs/dbraw/zinc/77/97/88/936779788.db2.gz JSFPWCHTGKJJSH-YOEHRIQHSA-N 1 3 289.423 1.239 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190769 922938602 /nfs/dbraw/zinc/93/86/02/922938602.db2.gz RYNBINPTBQHSGN-LSDHHAIUSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190769 922938613 /nfs/dbraw/zinc/93/86/13/922938613.db2.gz RYNBINPTBQHSGN-LSDHHAIUSA-N 1 3 281.444 1.681 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102371708 937055462 /nfs/dbraw/zinc/05/54/62/937055462.db2.gz PRBKNEKFDANGRD-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102371708 937055465 /nfs/dbraw/zinc/05/54/65/937055465.db2.gz PRBKNEKFDANGRD-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201328038 926267174 /nfs/dbraw/zinc/26/71/74/926267174.db2.gz UOTOAJUXMDZWEV-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001568466500 1169301776 /nfs/dbraw/zinc/30/17/76/1169301776.db2.gz AEQNWMFOTUXJTI-KBPBESRZSA-N 1 3 267.417 1.080 20 30 CDEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547877 937237014 /nfs/dbraw/zinc/23/70/14/937237014.db2.gz ZCQAKTUWVCWSNC-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547877 937237017 /nfs/dbraw/zinc/23/70/17/937237017.db2.gz ZCQAKTUWVCWSNC-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550401 929327182 /nfs/dbraw/zinc/32/71/82/929327182.db2.gz HTCKUZIGPKEIRG-JHJVBQTASA-N 1 3 285.819 1.175 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086550401 929327195 /nfs/dbraw/zinc/32/71/95/929327195.db2.gz HTCKUZIGPKEIRG-JHJVBQTASA-N 1 3 285.819 1.175 20 30 CDEDHO C=CCC(C)(C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001144078228 931649165 /nfs/dbraw/zinc/64/91/65/931649165.db2.gz ZBHCXEVRZYZMQN-UHFFFAOYSA-N 1 3 268.405 1.653 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953643 933192052 /nfs/dbraw/zinc/19/20/52/933192052.db2.gz BHACBZFIVKTPCO-KFWWJZLASA-N 1 3 291.439 1.626 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044629618 935866757 /nfs/dbraw/zinc/86/67/57/935866757.db2.gz NTZSFGOQFMIUII-UONOGXRCSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096348233 936047919 /nfs/dbraw/zinc/04/79/19/936047919.db2.gz GONYVDVRUYOKGK-WCVJEAGWSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096348233 936047922 /nfs/dbraw/zinc/04/79/22/936047922.db2.gz GONYVDVRUYOKGK-WCVJEAGWSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001121919794 937890374 /nfs/dbraw/zinc/89/03/74/937890374.db2.gz GEZDHPLBRKCQKX-CYBMUJFWSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001121997851 937897730 /nfs/dbraw/zinc/89/77/30/937897730.db2.gz JVCSAQHNNHQMKL-UONOGXRCSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC001122004975 937898527 /nfs/dbraw/zinc/89/85/27/937898527.db2.gz UDGINLZQJXGYFX-ZIAGYGMSSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCN(C(=O)[C@@H](N)CSCC[NH3+])C1CCCCC1 ZINC001161248174 938882948 /nfs/dbraw/zinc/88/29/48/938882948.db2.gz RWXHOHLZFFLQOC-ZDUSSCGKSA-N 1 3 285.457 1.353 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ncc(C)cc1/C=N/O ZINC001163128401 939206409 /nfs/dbraw/zinc/20/64/09/939206409.db2.gz JXHKWXOGYWTHKF-VCHYOVAHSA-N 1 3 292.387 1.476 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(CC#N)ccn1 ZINC001163129393 939208061 /nfs/dbraw/zinc/20/80/61/939208061.db2.gz VYNCWTLHNYKIIJ-UHFFFAOYSA-N 1 3 274.372 1.426 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640700 939699322 /nfs/dbraw/zinc/69/93/22/939699322.db2.gz HJIVEXONDAJDKO-KBPBESRZSA-N 1 3 279.428 1.531 20 30 CDEDHO C#CCOc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206164241 939989017 /nfs/dbraw/zinc/98/90/17/939989017.db2.gz JVTKAQNNNFEFHY-HZPDHXFCSA-N 1 3 276.355 1.960 20 30 CDEDHO C#CCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206164241 939989019 /nfs/dbraw/zinc/98/90/19/939989019.db2.gz JVTKAQNNNFEFHY-HZPDHXFCSA-N 1 3 276.355 1.960 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207610199 940221075 /nfs/dbraw/zinc/22/10/75/940221075.db2.gz NYSJZVHXJRXKOV-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207610199 940221077 /nfs/dbraw/zinc/22/10/77/940221077.db2.gz NYSJZVHXJRXKOV-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836241 940645641 /nfs/dbraw/zinc/64/56/41/940645641.db2.gz INLMUKVBUHGUPQ-ZDUSSCGKSA-N 1 3 276.384 1.499 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210315979 940682582 /nfs/dbraw/zinc/68/25/82/940682582.db2.gz STYCRBRPUXRKAB-GDBMZVCRSA-N 1 3 280.412 1.960 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073522 940728117 /nfs/dbraw/zinc/72/81/17/940728117.db2.gz HXXKEENXLNHZJL-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268900 940744587 /nfs/dbraw/zinc/74/45/87/940744587.db2.gz LPBFAKKSJMPDAA-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855881 940841172 /nfs/dbraw/zinc/84/11/72/940841172.db2.gz QGDRLFHAFRGOHI-YUELXQCFSA-N 1 3 279.428 1.339 20 30 CDEDHO N#C[C@H]1CNC[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832620 941022353 /nfs/dbraw/zinc/02/23/53/941022353.db2.gz PORBSWKTCXRWDQ-UONOGXRCSA-N 1 3 251.374 1.284 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560852 941770879 /nfs/dbraw/zinc/77/08/79/941770879.db2.gz YEYCEZYHQNKQFG-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807606 942230661 /nfs/dbraw/zinc/23/06/61/942230661.db2.gz UWBYAKUKDWHKMC-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001263103030 943745271 /nfs/dbraw/zinc/74/52/71/943745271.db2.gz LSKNABYQCHUGLX-BZPMIXESSA-N 1 3 265.401 1.411 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235513250 944181078 /nfs/dbraw/zinc/18/10/78/944181078.db2.gz LWORUANNLHQCHM-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235513250 944181084 /nfs/dbraw/zinc/18/10/84/944181084.db2.gz LWORUANNLHQCHM-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO CN(C)CC#CC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC001262566530 946717631 /nfs/dbraw/zinc/71/76/31/946717631.db2.gz SHGAICBACASGOI-LJQANCHMSA-N 1 3 296.414 1.898 20 30 CDEDHO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001254646490 947567874 /nfs/dbraw/zinc/56/78/74/947567874.db2.gz BAPGPXJKMSKHJJ-KLHDSHLOSA-N 1 3 277.412 1.912 20 30 CDEDHO C=CCCCCCC[C@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246017207 947893712 /nfs/dbraw/zinc/89/37/12/947893712.db2.gz XJKPIFRFCYXVNS-GJZGRUSLSA-N 1 3 269.433 1.025 20 30 CDEDHO C=C[C@](C)(O)CN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001252561324 951457948 /nfs/dbraw/zinc/45/79/48/951457948.db2.gz ZQCOUZQMIWNFHB-KRWDZBQOSA-N 1 3 297.487 1.663 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001341539490 963457192 /nfs/dbraw/zinc/45/71/92/963457192.db2.gz MBTMFRWEXUMUGG-OAHLLOKOSA-N 1 3 281.444 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001343372793 963962525 /nfs/dbraw/zinc/96/25/25/963962525.db2.gz YSQBEOLSMHWEKX-HNNXBMFYSA-N 1 3 281.444 1.907 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100428044 968317491 /nfs/dbraw/zinc/31/74/91/968317491.db2.gz VHBSTIVUPLJNDZ-NRXISQOPSA-N 1 3 279.428 1.080 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001522100932 970398678 /nfs/dbraw/zinc/39/86/78/970398678.db2.gz HORZMZSUALMKMS-ZFWWWQNUSA-N 1 3 269.433 1.933 20 30 CDEDHO C#CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001508229503 975645798 /nfs/dbraw/zinc/64/57/98/975645798.db2.gz MJUUPTIXONFZGL-INIZCTEOSA-N 1 3 291.439 1.344 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001508229503 975645806 /nfs/dbraw/zinc/64/58/06/975645806.db2.gz MJUUPTIXONFZGL-INIZCTEOSA-N 1 3 291.439 1.344 20 30 CDEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)nc1 ZINC000594583039 342920979 /nfs/dbraw/zinc/92/09/79/342920979.db2.gz RPSUHKLCFQDSTR-GDBMZVCRSA-N 1 3 299.422 1.782 20 30 CDEDHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000596579790 343354218 /nfs/dbraw/zinc/35/42/18/343354218.db2.gz WSEAMMUZECYZJE-LBPRGKRZSA-N 1 3 268.405 1.244 20 30 CDEDHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000596579790 343354220 /nfs/dbraw/zinc/35/42/20/343354220.db2.gz WSEAMMUZECYZJE-LBPRGKRZSA-N 1 3 268.405 1.244 20 30 CDEDHO CCN1CCN(CCCC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602509312 344458538 /nfs/dbraw/zinc/45/85/38/344458538.db2.gz DUVDTYGLEGTDMO-MRXNPFEDSA-N 1 3 280.460 1.934 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195391 362928548 /nfs/dbraw/zinc/92/85/48/362928548.db2.gz OAWJUHPHGUOMJV-MRXNPFEDSA-N 1 3 295.471 1.727 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000236667383 358795930 /nfs/dbraw/zinc/79/59/30/358795930.db2.gz YIMBMCMBRQTKJC-CABCVRRESA-N 1 3 279.428 1.553 20 30 CDEDHO C=CCOCCC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000348052777 359804107 /nfs/dbraw/zinc/80/41/07/359804107.db2.gz TVJPDNMGRZRXGE-AWEZNQCLSA-N 1 3 270.417 1.356 20 30 CDEDHO C[C@@H](CCC#N)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000563217420 360821936 /nfs/dbraw/zinc/82/19/36/360821936.db2.gz QJYSKOPUUVJQSC-ZDUSSCGKSA-N 1 3 280.416 1.068 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000074132544 369236078 /nfs/dbraw/zinc/23/60/78/369236078.db2.gz PLCSGRQISAXJLB-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074132544 369236081 /nfs/dbraw/zinc/23/60/81/369236081.db2.gz PLCSGRQISAXJLB-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417534260 377875971 /nfs/dbraw/zinc/87/59/71/377875971.db2.gz VUYFUDPITAACGX-UONOGXRCSA-N 1 3 294.443 1.324 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417528530 377878114 /nfs/dbraw/zinc/87/81/14/377878114.db2.gz OXRKNTBKAVBHFV-HNNXBMFYSA-N 1 3 296.459 1.652 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[NH2+]CCC)CC1 ZINC000417541892 377936843 /nfs/dbraw/zinc/93/68/43/377936843.db2.gz SCHWEZFXJNUOFD-UHFFFAOYSA-N 1 3 282.432 1.326 20 30 CDEDHO C=CCOCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000348029567 391413719 /nfs/dbraw/zinc/41/37/19/391413719.db2.gz FWCVWWVHWTWKPR-HRCADAONSA-N 1 3 282.428 1.763 20 30 CDEDHO CCN(CC)Cc1ccccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262677890 391811162 /nfs/dbraw/zinc/81/11/62/391811162.db2.gz URXTXNDXTDZLBC-ZDUSSCGKSA-N 1 3 274.412 1.966 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)C#N)[C@@H](C)C1 ZINC000347080115 286061022 /nfs/dbraw/zinc/06/10/22/286061022.db2.gz IJBNGROZZJKJSH-IHRRRGAJSA-N 1 3 281.400 1.399 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)C#N)[C@@H](C)C1 ZINC000347080115 286061023 /nfs/dbraw/zinc/06/10/23/286061023.db2.gz IJBNGROZZJKJSH-IHRRRGAJSA-N 1 3 281.400 1.399 20 30 CDEDHO C[NH+](C)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279332571 263054821 /nfs/dbraw/zinc/05/48/21/263054821.db2.gz AXLPKEPUYQQEIU-OAHLLOKOSA-N 1 3 298.390 1.697 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446889 423865472 /nfs/dbraw/zinc/86/54/72/423865472.db2.gz MBWNJDOFDMBJHN-ZBFHGGJFSA-N 1 3 277.412 1.143 20 30 CDEDHO C[C@H](NCCSCc1ccccc1C#N)C1C[NH2+]C1 ZINC000422986008 278259745 /nfs/dbraw/zinc/25/97/45/278259745.db2.gz GIATZCNGJPLAKU-LBPRGKRZSA-N 1 3 275.421 1.989 20 30 CDEDHO C[C@H]([NH2+]CCSCc1ccccc1C#N)C1CNC1 ZINC000422986008 278259746 /nfs/dbraw/zinc/25/97/46/278259746.db2.gz GIATZCNGJPLAKU-LBPRGKRZSA-N 1 3 275.421 1.989 20 30 CDEDHO C=C(C)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563390531 328060354 /nfs/dbraw/zinc/06/03/54/328060354.db2.gz BJUNCQYPWVCYFZ-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccncc1 ZINC000267405312 328178313 /nfs/dbraw/zinc/17/83/13/328178313.db2.gz GWPVNXHCNZTIIH-CQSZACIVSA-N 1 3 275.400 1.013 20 30 CDEDHO C=CCNC(NCC1(N(C)C)CCCCCC1)=[NH+]C ZINC000263115897 330044295 /nfs/dbraw/zinc/04/42/95/330044295.db2.gz FSZRUYSBNALQIT-UHFFFAOYSA-N 1 3 266.433 1.992 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000424126807 330259272 /nfs/dbraw/zinc/25/92/72/330259272.db2.gz BYVADWPYDAIOLV-UONOGXRCSA-N 1 3 278.400 1.094 20 30 CDEDHO CC[NH+](CC)CC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424132423 330264962 /nfs/dbraw/zinc/26/49/62/330264962.db2.gz KNCHYRYKRBJBJN-OAHLLOKOSA-N 1 3 294.443 1.588 20 30 CDEDHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424144517 330289939 /nfs/dbraw/zinc/28/99/39/330289939.db2.gz LKHCUVAPOUOIRW-LSDHHAIUSA-N 1 3 292.427 1.198 20 30 CDEDHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424144517 330289940 /nfs/dbraw/zinc/28/99/40/330289940.db2.gz LKHCUVAPOUOIRW-LSDHHAIUSA-N 1 3 292.427 1.198 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000490575803 332093059 /nfs/dbraw/zinc/09/30/59/332093059.db2.gz WWURXEYXRIXKAI-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCN1CCC ZINC001753735707 1159897155 /nfs/dbraw/zinc/89/71/55/1159897155.db2.gz BMDWTJIKYJWCME-JKSUJKDBSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000334893156 526428600 /nfs/dbraw/zinc/42/86/00/526428600.db2.gz SKLIMQOKFIQREJ-OLZOCXBDSA-N 1 3 280.416 1.029 20 30 CDEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190764615 535730073 /nfs/dbraw/zinc/73/00/73/535730073.db2.gz VWAPZMHDQFPNLK-AWEZNQCLSA-N 1 3 289.427 1.012 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673705 613631886 /nfs/dbraw/zinc/63/18/86/613631886.db2.gz JRRWCBBSKHAWRR-CVEARBPZSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673705 613631889 /nfs/dbraw/zinc/63/18/89/613631889.db2.gz JRRWCBBSKHAWRR-CVEARBPZSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971737470 613632303 /nfs/dbraw/zinc/63/23/03/613632303.db2.gz WYQHMPKKNJRCPY-KBPBESRZSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971737470 613632305 /nfs/dbraw/zinc/63/23/05/613632305.db2.gz WYQHMPKKNJRCPY-KBPBESRZSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971554095 613633540 /nfs/dbraw/zinc/63/35/40/613633540.db2.gz YMZMTWHXTGKHQT-GJZGRUSLSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947284 1162511010 /nfs/dbraw/zinc/51/10/10/1162511010.db2.gz RTEJXAZUXTUGPP-KGLIPLIRSA-N 1 3 269.433 1.633 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001570000068 1170056473 /nfs/dbraw/zinc/05/64/73/1170056473.db2.gz HQZITUWUDXUXIR-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753065887 1182208463 /nfs/dbraw/zinc/20/84/63/1182208463.db2.gz CDCKBZJETQHTBJ-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CCC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001752850916 1184934606 /nfs/dbraw/zinc/93/46/06/1184934606.db2.gz RHOGBAFTYDSGBQ-UHFFFAOYSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001753487937 1185233047 /nfs/dbraw/zinc/23/30/47/1185233047.db2.gz MWZAHMITBMELPA-LSDHHAIUSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001754826037 1185742307 /nfs/dbraw/zinc/74/23/07/1185742307.db2.gz UITBIHXBHCFRJA-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755046163 1185798997 /nfs/dbraw/zinc/79/89/97/1185798997.db2.gz WOOYSIIDKIUCHA-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755046163 1185798999 /nfs/dbraw/zinc/79/89/99/1185798999.db2.gz WOOYSIIDKIUCHA-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001755165950 1185838275 /nfs/dbraw/zinc/83/82/75/1185838275.db2.gz UQYUBBJLTDDNOV-KBPBESRZSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001755165950 1185838281 /nfs/dbraw/zinc/83/82/81/1185838281.db2.gz UQYUBBJLTDDNOV-KBPBESRZSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001755498888 1185973045 /nfs/dbraw/zinc/97/30/45/1185973045.db2.gz PRMLEDCRYRSHHJ-GJZGRUSLSA-N 1 3 281.444 1.920 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706117 1164169106 /nfs/dbraw/zinc/16/91/06/1164169106.db2.gz PBDQNGGHCSXHQR-UONOGXRCSA-N 1 3 269.433 1.777 20 30 CDEDHO CCN(CC)[C@H](CNC(=[NH2+])N1CCOCC1)CC(C)C ZINC000303787646 755231676 /nfs/dbraw/zinc/23/16/76/755231676.db2.gz SQIQFIOAXXXJST-AWEZNQCLSA-N 1 3 284.448 1.390 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577674 753859665 /nfs/dbraw/zinc/85/96/65/753859665.db2.gz QLKCLBIPYWBNPJ-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577674 753859667 /nfs/dbraw/zinc/85/96/67/753859667.db2.gz QLKCLBIPYWBNPJ-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390304 753888884 /nfs/dbraw/zinc/88/88/84/753888884.db2.gz JIDUWOFGYHDGEP-HNNXBMFYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431775 754028857 /nfs/dbraw/zinc/02/88/57/754028857.db2.gz OFWVXHYFZLKCGA-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036734982 754323753 /nfs/dbraw/zinc/32/37/53/754323753.db2.gz BKYJEVHHBBTTQB-LSDHHAIUSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036734982 754323755 /nfs/dbraw/zinc/32/37/55/754323755.db2.gz BKYJEVHHBBTTQB-LSDHHAIUSA-N 1 3 291.439 1.580 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045545084 754364304 /nfs/dbraw/zinc/36/43/04/754364304.db2.gz UHZLZLNLZRWCNH-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001000190759 754417988 /nfs/dbraw/zinc/41/79/88/754417988.db2.gz HOGNPBDXXOQQTN-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998188816 754450723 /nfs/dbraw/zinc/45/07/23/754450723.db2.gz KNKFRTSLCQOKFH-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998188816 754450718 /nfs/dbraw/zinc/45/07/18/754450718.db2.gz KNKFRTSLCQOKFH-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580417 754603919 /nfs/dbraw/zinc/60/39/19/754603919.db2.gz VYEPWLYLKTZMBT-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580417 754603925 /nfs/dbraw/zinc/60/39/25/754603925.db2.gz VYEPWLYLKTZMBT-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOC1CCCC1 ZINC000170908349 755146456 /nfs/dbraw/zinc/14/64/56/755146456.db2.gz JXSRYWQSACHQBA-ZDUSSCGKSA-N 1 3 282.432 1.334 20 30 CDEDHO C#CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766985 755182273 /nfs/dbraw/zinc/18/22/73/755182273.db2.gz WUCXGBXWCYPZJH-AIANPOQGSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766985 755182283 /nfs/dbraw/zinc/18/22/83/755182283.db2.gz WUCXGBXWCYPZJH-AIANPOQGSA-N 1 3 289.423 1.073 20 30 CDEDHO C#Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000809661145 755273375 /nfs/dbraw/zinc/27/33/75/755273375.db2.gz VEZWPZBKCXJEIU-UHFFFAOYSA-N 1 3 285.435 1.784 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)CC#N ZINC000849040417 755357949 /nfs/dbraw/zinc/35/79/49/755357949.db2.gz KGIBBCLVFSRBTH-GFCCVEGCSA-N 1 3 265.405 1.525 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697950 755460533 /nfs/dbraw/zinc/46/05/33/755460533.db2.gz LZVSJPMWFQOULQ-ARFHVFGLSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697950 755460536 /nfs/dbraw/zinc/46/05/36/755460536.db2.gz LZVSJPMWFQOULQ-ARFHVFGLSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697950 755460542 /nfs/dbraw/zinc/46/05/42/755460542.db2.gz LZVSJPMWFQOULQ-ARFHVFGLSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000676274 755801735 /nfs/dbraw/zinc/80/17/35/755801735.db2.gz BNZIDCZDNCQHCH-MRXNPFEDSA-N 1 3 291.439 1.794 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000676274 755801738 /nfs/dbraw/zinc/80/17/38/755801738.db2.gz BNZIDCZDNCQHCH-MRXNPFEDSA-N 1 3 291.439 1.794 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884655 755814426 /nfs/dbraw/zinc/81/44/26/755814426.db2.gz NWZRGYRAVUNVSM-GJZGRUSLSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001000756203 755821602 /nfs/dbraw/zinc/82/16/02/755821602.db2.gz DFLPQQMPSIUCID-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001000756203 755821604 /nfs/dbraw/zinc/82/16/04/755821604.db2.gz DFLPQQMPSIUCID-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052430418 755879203 /nfs/dbraw/zinc/87/92/03/755879203.db2.gz SDLNWYOBEDXTCI-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052430418 755879205 /nfs/dbraw/zinc/87/92/05/755879205.db2.gz SDLNWYOBEDXTCI-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996299803 755992886 /nfs/dbraw/zinc/99/28/86/755992886.db2.gz DNFYNPYRGZVXEU-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCOCC2)C1 ZINC000104178926 756836088 /nfs/dbraw/zinc/83/60/88/756836088.db2.gz MLKTZXKLEINTKO-CYBMUJFWSA-N 1 3 282.432 1.144 20 30 CDEDHO C#CCOCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000852184402 756869960 /nfs/dbraw/zinc/86/99/60/756869960.db2.gz JYQPUPGUIBTMED-UHFFFAOYSA-N 1 3 293.455 1.128 20 30 CDEDHO C#CCOCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000852184402 756869962 /nfs/dbraw/zinc/86/99/62/756869962.db2.gz JYQPUPGUIBTMED-UHFFFAOYSA-N 1 3 293.455 1.128 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058872 757050375 /nfs/dbraw/zinc/05/03/75/757050375.db2.gz JPKPGPSOWNJKHZ-GASCZTMLSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058872 757050385 /nfs/dbraw/zinc/05/03/85/757050385.db2.gz JPKPGPSOWNJKHZ-GASCZTMLSA-N 1 3 291.439 1.295 20 30 CDEDHO C[C@@H]1C[C@H](NC[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000158252395 757653764 /nfs/dbraw/zinc/65/37/64/757653764.db2.gz UEHBFZBHJGAOBI-WQVCFCJDSA-N 1 3 273.380 1.664 20 30 CDEDHO C[C@@H]1C[C@H](NC[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000158252395 757653784 /nfs/dbraw/zinc/65/37/84/757653784.db2.gz UEHBFZBHJGAOBI-WQVCFCJDSA-N 1 3 273.380 1.664 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001023128604 757691456 /nfs/dbraw/zinc/69/14/56/757691456.db2.gz LUEUSTGOFVMIQF-QLFBSQMISA-N 1 3 279.428 1.674 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024800966 757724501 /nfs/dbraw/zinc/72/45/01/757724501.db2.gz KCUWHJKLYLJXLV-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024800966 757724513 /nfs/dbraw/zinc/72/45/13/757724513.db2.gz KCUWHJKLYLJXLV-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000997363435 757928529 /nfs/dbraw/zinc/92/85/29/757928529.db2.gz GAABPJIKZSMJOB-OAHLLOKOSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044745789 758308888 /nfs/dbraw/zinc/30/88/88/758308888.db2.gz ZUZIZURRKXHROU-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001419503 758331732 /nfs/dbraw/zinc/33/17/32/758331732.db2.gz WKLZBLXNRVDHAA-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001419503 758331754 /nfs/dbraw/zinc/33/17/54/758331754.db2.gz WKLZBLXNRVDHAA-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000886208917 758380346 /nfs/dbraw/zinc/38/03/46/758380346.db2.gz ADRUMHDXTNULGQ-HRCADAONSA-N 1 3 261.413 1.300 20 30 CDEDHO C#CCN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000886208917 758380357 /nfs/dbraw/zinc/38/03/57/758380357.db2.gz ADRUMHDXTNULGQ-HRCADAONSA-N 1 3 261.413 1.300 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001121944395 913277875 /nfs/dbraw/zinc/27/78/75/913277875.db2.gz QTHWDNNWSUJNMU-NWDGAFQWSA-N 1 3 253.390 1.174 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948197 914395424 /nfs/dbraw/zinc/39/54/24/914395424.db2.gz KFCBSJMMWBEJAA-UHFFFAOYSA-N 1 3 287.407 1.481 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176991453 914420029 /nfs/dbraw/zinc/42/00/29/914420029.db2.gz BJCLYZNGVDKKQM-HNNXBMFYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171762545 910934553 /nfs/dbraw/zinc/93/45/53/910934553.db2.gz FIBQXQGCJQWNBH-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001127066277 911264002 /nfs/dbraw/zinc/26/40/02/911264002.db2.gz KZNOJIOXXACOEC-CABCVRRESA-N 1 3 281.444 1.920 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534329 915861093 /nfs/dbraw/zinc/86/10/93/915861093.db2.gz HSXLXASZRBOKQS-ILXRZTDVSA-N 1 3 277.412 1.073 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181672769 917274579 /nfs/dbraw/zinc/27/45/79/917274579.db2.gz BWVJSBJNRILWSC-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637988 917996954 /nfs/dbraw/zinc/99/69/54/917996954.db2.gz UYPDFZUHSICZBE-HLLBOEOZSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288446 918421871 /nfs/dbraw/zinc/42/18/71/918421871.db2.gz IPEGMSKWWCWKFE-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185217941 919482711 /nfs/dbraw/zinc/48/27/11/919482711.db2.gz XQVHAIMOXZHOBT-UONOGXRCSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100770762 936933969 /nfs/dbraw/zinc/93/39/69/936933969.db2.gz MYSFNPCFJDMQQM-UHFFFAOYSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100921737 936945369 /nfs/dbraw/zinc/94/53/69/936945369.db2.gz ZJJRTSXUZOGIEA-UHFFFAOYSA-N 1 3 276.384 1.321 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782516 924997368 /nfs/dbraw/zinc/99/73/68/924997368.db2.gz CLIMKWSDQDFBDX-BZUAXINKSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101284068 936966115 /nfs/dbraw/zinc/96/61/15/936966115.db2.gz LVFZXKODRJUCRM-PBHICJAKSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@]2(C)C1 ZINC001101284068 936966118 /nfs/dbraw/zinc/96/61/18/936966118.db2.gz LVFZXKODRJUCRM-PBHICJAKSA-N 1 3 293.455 1.683 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475235 937058570 /nfs/dbraw/zinc/05/85/70/937058570.db2.gz FKDYUQYEAOQPSP-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475235 937058573 /nfs/dbraw/zinc/05/85/73/937058573.db2.gz FKDYUQYEAOQPSP-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370247 937054600 /nfs/dbraw/zinc/05/46/00/937054600.db2.gz VDILJOAILYNQLC-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370247 937054603 /nfs/dbraw/zinc/05/46/03/937054603.db2.gz VDILJOAILYNQLC-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754703 937154305 /nfs/dbraw/zinc/15/43/05/937154305.db2.gz RRNNQSFOVMZMRU-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754703 937154306 /nfs/dbraw/zinc/15/43/06/937154306.db2.gz RRNNQSFOVMZMRU-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108784166 928634914 /nfs/dbraw/zinc/63/49/14/928634914.db2.gz KZNHNCMHKCVXEA-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585995 929202747 /nfs/dbraw/zinc/20/27/47/929202747.db2.gz CFXZJOBITQBCQY-RDJZCZTQSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152427362 937360907 /nfs/dbraw/zinc/36/09/07/937360907.db2.gz XMRJJCFHGPDZQG-CYBMUJFWSA-N 1 3 255.406 1.387 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171217837 931989273 /nfs/dbraw/zinc/98/92/73/931989273.db2.gz OLTUGWSCBLVGJP-GFCCVEGCSA-N 1 3 273.808 1.177 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171217837 931989277 /nfs/dbraw/zinc/98/92/77/931989277.db2.gz OLTUGWSCBLVGJP-GFCCVEGCSA-N 1 3 273.808 1.177 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001121930601 937891452 /nfs/dbraw/zinc/89/14/52/937891452.db2.gz NTGRJBCEMWAOFL-HUUCEWRRSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161942260 938945775 /nfs/dbraw/zinc/94/57/75/938945775.db2.gz FZFINFHKDMWPLM-UHFFFAOYSA-N 1 3 279.428 1.651 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161942260 938945776 /nfs/dbraw/zinc/94/57/76/938945776.db2.gz FZFINFHKDMWPLM-UHFFFAOYSA-N 1 3 279.428 1.651 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461426 939891092 /nfs/dbraw/zinc/89/10/92/939891092.db2.gz ITQQSHIXFSHIRN-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334375 940320105 /nfs/dbraw/zinc/32/01/05/940320105.db2.gz JAUYZZMHEUHCMG-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208446994 940331463 /nfs/dbraw/zinc/33/14/63/940331463.db2.gz FLEXZZAVFNTGID-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952824 940847751 /nfs/dbraw/zinc/84/77/51/940847751.db2.gz NYVFAPQZPLTXGM-RBSFLKMASA-N 1 3 281.444 1.729 20 30 CDEDHO N#Cc1c2ccccc2sc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218648832 941251510 /nfs/dbraw/zinc/25/15/10/941251510.db2.gz KTCRUDSELVBHAD-NSHDSACASA-N 1 3 288.376 1.778 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218870818 941282545 /nfs/dbraw/zinc/28/25/45/941282545.db2.gz BTWVFMFTPAFGOL-FZMZJTMJSA-N 1 3 274.368 1.708 20 30 CDEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219112582 941309894 /nfs/dbraw/zinc/30/98/94/941309894.db2.gz MZCRFJGGWCECGW-LBPRGKRZSA-N 1 3 278.331 1.401 20 30 CDEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223377930 941674065 /nfs/dbraw/zinc/67/40/65/941674065.db2.gz ATMRXZVYVJUXLY-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227816716 942232194 /nfs/dbraw/zinc/23/21/94/942232194.db2.gz HHTLPCCIKMUTIA-CQSZACIVSA-N 1 3 265.401 1.093 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229213811 942433799 /nfs/dbraw/zinc/43/37/99/942433799.db2.gz LFPAWFVSKARTEK-HUUCEWRRSA-N 1 3 279.428 1.369 20 30 CDEDHO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254664254 947580790 /nfs/dbraw/zinc/58/07/90/947580790.db2.gz GSKIDTZCDHEWQV-UONOGXRCSA-N 1 3 281.400 1.495 20 30 CDEDHO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254664254 947580796 /nfs/dbraw/zinc/58/07/96/947580796.db2.gz GSKIDTZCDHEWQV-UONOGXRCSA-N 1 3 281.400 1.495 20 30 CDEDHO CN(C)CC[NH+](CCN(C)C)C1CCC(C#N)CC1 ZINC001256969006 948467343 /nfs/dbraw/zinc/46/73/43/948467343.db2.gz WTUKKHXIXKKRBW-UHFFFAOYSA-N 1 3 266.433 1.494 20 30 CDEDHO Cc1cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)ccc1C#N ZINC001247828131 948805703 /nfs/dbraw/zinc/80/57/03/948805703.db2.gz ATCBZBCNWJQBJC-ZDUSSCGKSA-N 1 3 295.346 1.193 20 30 CDEDHO C=CCOC[C@@H](O)CNC1CC[NH+](CCC)CC1 ZINC001252481377 951342399 /nfs/dbraw/zinc/34/23/99/951342399.db2.gz BYJNPZAEZJVWTE-AWEZNQCLSA-N 1 3 256.390 1.014 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001340042196 962705145 /nfs/dbraw/zinc/70/51/45/962705145.db2.gz UYLRIHDZJILXHQ-RDBSUJKOSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001340042196 962705152 /nfs/dbraw/zinc/70/51/52/962705152.db2.gz UYLRIHDZJILXHQ-RDBSUJKOSA-N 1 3 265.401 1.413 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001341127952 963287574 /nfs/dbraw/zinc/28/75/74/963287574.db2.gz UJDKMLUBDZPZPH-AWEZNQCLSA-N 1 3 299.459 1.377 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001341539489 963456093 /nfs/dbraw/zinc/45/60/93/963456093.db2.gz MBTMFRWEXUMUGG-HNNXBMFYSA-N 1 3 281.444 1.908 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100563437 968710193 /nfs/dbraw/zinc/71/01/93/968710193.db2.gz HNUYNQNGQMWOKL-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181563 1163598424 /nfs/dbraw/zinc/59/84/24/1163598424.db2.gz CYRCKXJEDAFOAY-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346713 1163640498 /nfs/dbraw/zinc/64/04/98/1163640498.db2.gz OHQJNLQPAIYZKV-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347364 1163649604 /nfs/dbraw/zinc/64/96/04/1163649604.db2.gz WIJPIGCBJWOEHB-JKSUJKDBSA-N 1 3 293.455 1.424 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255984 342683243 /nfs/dbraw/zinc/68/32/43/342683243.db2.gz VLFXTXUALYBUTI-KKUMJFAQSA-N 1 3 292.427 1.246 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595984421 343211476 /nfs/dbraw/zinc/21/14/76/343211476.db2.gz SGVMQLMVZHUEQP-OAHLLOKOSA-N 1 3 292.427 1.246 20 30 CDEDHO N#Cc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596649730 343370705 /nfs/dbraw/zinc/37/07/05/343370705.db2.gz GIEOPUGNEPLTIH-OKZBNKHCSA-N 1 3 299.418 1.847 20 30 CDEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000602526058 344454482 /nfs/dbraw/zinc/45/44/82/344454482.db2.gz OCITYELSZAKAJN-LSDHHAIUSA-N 1 3 295.427 1.132 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccs1 ZINC000264056192 362954233 /nfs/dbraw/zinc/95/42/33/362954233.db2.gz AWLFZMXIHSYGEP-NSHDSACASA-N 1 3 266.414 1.637 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264093611 362965269 /nfs/dbraw/zinc/96/52/69/362965269.db2.gz LVRWQAXRULRZIH-UHFFFAOYSA-N 1 3 292.427 1.998 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000070188165 358913490 /nfs/dbraw/zinc/91/34/90/358913490.db2.gz CAKZPFNTGILIJG-UHFFFAOYSA-N 1 3 265.401 1.248 20 30 CDEDHO CN(CCC#N)C(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000337284592 360062352 /nfs/dbraw/zinc/06/23/52/360062352.db2.gz ZBLRPCKADVXFEL-UHFFFAOYSA-N 1 3 280.416 1.166 20 30 CDEDHO CN(CCC#N)C(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000337284592 360062354 /nfs/dbraw/zinc/06/23/54/360062354.db2.gz ZBLRPCKADVXFEL-UHFFFAOYSA-N 1 3 280.416 1.166 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357067338 366734699 /nfs/dbraw/zinc/73/46/99/366734699.db2.gz COPPBLHIYCNXIX-MRXNPFEDSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683018 364396542 /nfs/dbraw/zinc/39/65/42/364396542.db2.gz RCMKLCRFEFKCNK-INIZCTEOSA-N 1 3 275.396 1.921 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683018 364396544 /nfs/dbraw/zinc/39/65/44/364396544.db2.gz RCMKLCRFEFKCNK-INIZCTEOSA-N 1 3 275.396 1.921 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1nccs1 ZINC000170909285 365159598 /nfs/dbraw/zinc/15/95/98/365159598.db2.gz YXAZJUNWBLAXRP-LLVKDONJSA-N 1 3 281.429 1.074 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH2+]CC)CC1 ZINC000579452056 372571010 /nfs/dbraw/zinc/57/10/10/372571010.db2.gz MZUMCHPSSMLKHY-UHFFFAOYSA-N 1 3 282.432 1.326 20 30 CDEDHO C=C(C)C[NH+]1CCC(NCc2ccc(=O)[nH]c2)CC1 ZINC000631063612 374848986 /nfs/dbraw/zinc/84/89/86/374848986.db2.gz CAIWRMNEZFIUIY-UHFFFAOYSA-N 1 3 261.369 1.917 20 30 CDEDHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCOC1 ZINC000328786293 375969550 /nfs/dbraw/zinc/96/95/50/375969550.db2.gz KTDNYQSSXPQRFN-QWHCGFSZSA-N 1 3 295.427 1.584 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417532271 377889721 /nfs/dbraw/zinc/88/97/21/377889721.db2.gz DZMVSRFIBOUADY-OAHLLOKOSA-N 1 3 296.459 1.700 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000339059097 391248581 /nfs/dbraw/zinc/24/85/81/391248581.db2.gz FMUGCSUMZDGHED-YYIAUSFCSA-N 1 3 290.455 1.636 20 30 CDEDHO CC(C)N(C)Cc1ccccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262669726 391810121 /nfs/dbraw/zinc/81/01/21/391810121.db2.gz QLOOXQQKGMPCAI-CYBMUJFWSA-N 1 3 274.412 1.964 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000563809271 328520619 /nfs/dbraw/zinc/52/06/19/328520619.db2.gz UTYGHPHYZXNLHW-STQMWFEESA-N 1 3 282.432 1.452 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423372992 330195383 /nfs/dbraw/zinc/19/53/83/330195383.db2.gz GOAZJINXQGWSOR-JSGCOSHPSA-N 1 3 267.417 1.372 20 30 CDEDHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424079285 330221611 /nfs/dbraw/zinc/22/16/11/330221611.db2.gz RAERHZWGLAOXBN-RISCZKNCSA-N 1 3 274.368 1.344 20 30 CDEDHO CC1CC[NH+](CCCNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424144739 330290084 /nfs/dbraw/zinc/29/00/84/330290084.db2.gz XYYKXBVYOGPBOB-AWEZNQCLSA-N 1 3 280.416 1.246 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000424179781 330318699 /nfs/dbraw/zinc/31/86/99/330318699.db2.gz UKIAULWVLNFGJK-CQSZACIVSA-N 1 3 280.416 1.375 20 30 CDEDHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836038 1160626907 /nfs/dbraw/zinc/62/69/07/1160626907.db2.gz KCUAWLSSIJASCB-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836038 1160626913 /nfs/dbraw/zinc/62/69/13/1160626913.db2.gz KCUAWLSSIJASCB-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000766930490 576147095 /nfs/dbraw/zinc/14/70/95/576147095.db2.gz HEDPGSHPKHUMSJ-QLFBSQMISA-N 1 3 250.386 1.583 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943333898 613258515 /nfs/dbraw/zinc/25/85/15/613258515.db2.gz KQDNPDLEMYCYBH-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947778407 613258921 /nfs/dbraw/zinc/25/89/21/613258921.db2.gz CJMRBBATAXRJPW-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000925892471 617985959 /nfs/dbraw/zinc/98/59/59/617985959.db2.gz BMOVOGPWSCSYMZ-BZUAXINKSA-N 1 3 299.422 1.875 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911634388 629377938 /nfs/dbraw/zinc/37/79/38/629377938.db2.gz NJKQBUQPMMGRPD-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435955 1162474612 /nfs/dbraw/zinc/47/46/12/1162474612.db2.gz KPKFQJXCTJSEME-TZMCWYRMSA-N 1 3 267.417 1.387 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130203635 1162569728 /nfs/dbraw/zinc/56/97/28/1162569728.db2.gz RLEUBELTFUEZDW-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001752543869 1184878580 /nfs/dbraw/zinc/87/85/80/1184878580.db2.gz VLWNAHFUDCKDHR-IYBDPMFKSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001752543869 1184878584 /nfs/dbraw/zinc/87/85/84/1184878584.db2.gz VLWNAHFUDCKDHR-IYBDPMFKSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001752979872 1184982215 /nfs/dbraw/zinc/98/22/15/1184982215.db2.gz GYJSOGLHAXYSFV-ZIAGYGMSSA-N 1 3 290.411 1.854 20 30 CDEDHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868200 1185753411 /nfs/dbraw/zinc/75/34/11/1185753411.db2.gz NIQTZANQMXQJLE-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO CC#CCNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001754985327 1185779416 /nfs/dbraw/zinc/77/94/16/1185779416.db2.gz OJSPRQLMULMRPV-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO CC#CCNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001754985327 1185779421 /nfs/dbraw/zinc/77/94/21/1185779421.db2.gz OJSPRQLMULMRPV-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001755351659 1185924827 /nfs/dbraw/zinc/92/48/27/1185924827.db2.gz XXRFPTQBCABJOL-OAHLLOKOSA-N 1 3 292.427 1.991 20 30 CDEDHO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001755618914 1186014039 /nfs/dbraw/zinc/01/40/39/1186014039.db2.gz PZKYFCFDTHXRIE-GJZGRUSLSA-N 1 3 279.428 1.321 20 30 CDEDHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001755618917 1186014055 /nfs/dbraw/zinc/01/40/55/1186014055.db2.gz PZYWPITVGJECPB-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO CCO[C@@H](CCNC(=[NH2+])NC[C@@H]1CCCN1CC)C(C)C ZINC000304771356 769525012 /nfs/dbraw/zinc/52/50/12/769525012.db2.gz AAHZOKNTVUPMAI-GJZGRUSLSA-N 1 3 298.475 1.826 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000303874344 768874835 /nfs/dbraw/zinc/87/48/35/768874835.db2.gz DAGIYPVISJDUQU-STQMWFEESA-N 1 3 254.422 1.811 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001054734797 769433552 /nfs/dbraw/zinc/43/35/52/769433552.db2.gz DDBYBPGGMNLZSE-DZGCQCFKSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576843 769501189 /nfs/dbraw/zinc/50/11/89/769501189.db2.gz YAUFPCGXJRDITN-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576843 769501207 /nfs/dbraw/zinc/50/12/07/769501207.db2.gz YAUFPCGXJRDITN-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO N#CC[C@@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930077736 769809347 /nfs/dbraw/zinc/80/93/47/769809347.db2.gz GBMMNNBYPIBBBL-MRXNPFEDSA-N 1 3 279.428 1.849 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028111536 769861809 /nfs/dbraw/zinc/86/18/09/769861809.db2.gz NVKCHPXAAFUWKR-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035667907 771311114 /nfs/dbraw/zinc/31/11/14/771311114.db2.gz AWLFMSZQFGCNQG-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044629619 771443763 /nfs/dbraw/zinc/44/37/63/771443763.db2.gz NTZSFGOQFMIUII-ZIAGYGMSSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc(OC)c(OC)c1 ZINC000380852870 771482252 /nfs/dbraw/zinc/48/22/52/771482252.db2.gz TYYDMANAMJWPLT-UHFFFAOYSA-N 1 3 276.380 1.749 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc(OC)c(OC)c1 ZINC000380852870 771482257 /nfs/dbraw/zinc/48/22/57/771482257.db2.gz TYYDMANAMJWPLT-UHFFFAOYSA-N 1 3 276.380 1.749 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971866 771819088 /nfs/dbraw/zinc/81/90/88/771819088.db2.gz XQCILPQFKPGCLW-ZDUSSCGKSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247220 771833567 /nfs/dbraw/zinc/83/35/67/771833567.db2.gz CMKRGCDXOGDWTD-CABCVRRESA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015119677 771879023 /nfs/dbraw/zinc/87/90/23/771879023.db2.gz MNUYLCUUZWWMTG-CYBMUJFWSA-N 1 3 270.336 1.324 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001015119677 771879026 /nfs/dbraw/zinc/87/90/26/771879026.db2.gz MNUYLCUUZWWMTG-CYBMUJFWSA-N 1 3 270.336 1.324 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001015119677 771879029 /nfs/dbraw/zinc/87/90/29/771879029.db2.gz MNUYLCUUZWWMTG-CYBMUJFWSA-N 1 3 270.336 1.324 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038271796 771879372 /nfs/dbraw/zinc/87/93/72/771879372.db2.gz GGSWGFAMIDHFLS-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038271796 771879373 /nfs/dbraw/zinc/87/93/73/771879373.db2.gz GGSWGFAMIDHFLS-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C[C@@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164494 772090741 /nfs/dbraw/zinc/09/07/41/772090741.db2.gz LDFWGPHIASJASG-TZMCWYRMSA-N 1 3 273.384 1.437 20 30 CDEDHO C[C@@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000927164494 772090746 /nfs/dbraw/zinc/09/07/46/772090746.db2.gz LDFWGPHIASJASG-TZMCWYRMSA-N 1 3 273.384 1.437 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041678639 772642410 /nfs/dbraw/zinc/64/24/10/772642410.db2.gz JPBHWFUFZQRXIO-DOTOQJQBSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041678639 772642415 /nfs/dbraw/zinc/64/24/15/772642415.db2.gz JPBHWFUFZQRXIO-DOTOQJQBSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050561465 772718253 /nfs/dbraw/zinc/71/82/53/772718253.db2.gz UALSEHNDJIHRFQ-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001019380775 772833159 /nfs/dbraw/zinc/83/31/59/772833159.db2.gz MAPDAGSAMCMWLH-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039311053 772874787 /nfs/dbraw/zinc/87/47/87/772874787.db2.gz BEAAJXMWJRNRDY-MQVJKMGUSA-N 1 3 291.439 1.770 20 30 CDEDHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166561 772963757 /nfs/dbraw/zinc/96/37/57/772963757.db2.gz QDYCHRDSHSKEPZ-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166561 772963762 /nfs/dbraw/zinc/96/37/62/772963762.db2.gz QDYCHRDSHSKEPZ-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035850743 773018127 /nfs/dbraw/zinc/01/81/27/773018127.db2.gz CXPJJBGQOJUHFL-UHFFFAOYSA-N 1 3 291.439 1.583 20 30 CDEDHO CCCCOCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000104153629 773060387 /nfs/dbraw/zinc/06/03/87/773060387.db2.gz HFOIVSFOISXKBA-AWEZNQCLSA-N 1 3 284.448 1.582 20 30 CDEDHO C=CCCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276040021 1166734560 /nfs/dbraw/zinc/73/45/60/1166734560.db2.gz GGMZIMZHVTVAPT-CALCHBBNSA-N 1 3 295.471 1.679 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265488 913520061 /nfs/dbraw/zinc/52/00/61/913520061.db2.gz YKTZGHITWYDNGA-HZPDHXFCSA-N 1 3 293.455 1.616 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281892 913785025 /nfs/dbraw/zinc/78/50/25/913785025.db2.gz JMTUBYCPMZRIIU-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@H](F)CC)CC1 ZINC001176926216 914361310 /nfs/dbraw/zinc/36/13/10/914361310.db2.gz JNWYACVAJAFBBZ-OAHLLOKOSA-N 1 3 297.418 1.176 20 30 CDEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001088335178 906944544 /nfs/dbraw/zinc/94/45/44/906944544.db2.gz XRNNVRHLRSPZPL-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088816502 909609803 /nfs/dbraw/zinc/60/98/03/909609803.db2.gz FIQWJDKUMCBALI-XGUBFFRZSA-N 1 3 279.428 1.482 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088816502 909609809 /nfs/dbraw/zinc/60/98/09/909609809.db2.gz FIQWJDKUMCBALI-XGUBFFRZSA-N 1 3 279.428 1.482 20 30 CDEDHO Cc1c(F)cccc1NC(=O)CC[NH2+]CC#CCN(C)C ZINC001120492488 911992373 /nfs/dbraw/zinc/99/23/73/911992373.db2.gz MADWPSHJTSCAMA-UHFFFAOYSA-N 1 3 291.370 1.617 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)[NH+]1CCCCC1 ZINC000691601328 915686454 /nfs/dbraw/zinc/68/64/54/915686454.db2.gz LILFJDAKQWSGAJ-UONOGXRCSA-N 1 3 280.416 1.388 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039230 917900754 /nfs/dbraw/zinc/90/07/54/917900754.db2.gz NTLFAOSHANUZRN-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185548275 919649077 /nfs/dbraw/zinc/64/90/77/919649077.db2.gz KZTXWHHZEGDOCZ-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188139903 920855468 /nfs/dbraw/zinc/85/54/68/920855468.db2.gz UYKZHZJNWKAIGB-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC)CC1 ZINC001098460368 936752646 /nfs/dbraw/zinc/75/26/46/936752646.db2.gz ANBWXOXMJNSUSO-OAGGEKHMSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CC1 ZINC001098460368 936752648 /nfs/dbraw/zinc/75/26/48/936752648.db2.gz ANBWXOXMJNSUSO-OAGGEKHMSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400112 936970569 /nfs/dbraw/zinc/97/05/69/936970569.db2.gz HEUZATSOLFXZJC-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400112 936970570 /nfs/dbraw/zinc/97/05/70/936970570.db2.gz HEUZATSOLFXZJC-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047427 937039646 /nfs/dbraw/zinc/03/96/46/937039646.db2.gz GUASZZUQDNZXTR-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047427 937039647 /nfs/dbraw/zinc/03/96/47/937039647.db2.gz GUASZZUQDNZXTR-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103445133 937142039 /nfs/dbraw/zinc/14/20/39/937142039.db2.gz ZKLYCCFZSMLRTE-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103445133 937142041 /nfs/dbraw/zinc/14/20/41/937142041.db2.gz ZKLYCCFZSMLRTE-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496169 928615798 /nfs/dbraw/zinc/61/57/98/928615798.db2.gz POOVKJGKTQYMMU-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCCCF)CC1 ZINC001152323696 937353549 /nfs/dbraw/zinc/35/35/49/937353549.db2.gz BHGOGMQCGVGFLZ-UHFFFAOYSA-N 1 3 297.418 1.177 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135468504 930215564 /nfs/dbraw/zinc/21/55/64/930215564.db2.gz QEXTWSIFTOTZTD-KBPBESRZSA-N 1 3 281.444 1.777 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000104153852 931320894 /nfs/dbraw/zinc/32/08/94/931320894.db2.gz WTAFRTVKWHYKOL-LBPRGKRZSA-N 1 3 258.410 1.044 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148462507 932711586 /nfs/dbraw/zinc/71/15/86/932711586.db2.gz CPNOAJRTDYVXLO-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148462507 932711588 /nfs/dbraw/zinc/71/15/88/932711588.db2.gz CPNOAJRTDYVXLO-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758833 932800993 /nfs/dbraw/zinc/80/09/93/932800993.db2.gz NFONGETWJSWLIL-VYDXJSESSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758833 932800996 /nfs/dbraw/zinc/80/09/96/932800996.db2.gz NFONGETWJSWLIL-VYDXJSESSA-N 1 3 293.455 1.539 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298604 934528312 /nfs/dbraw/zinc/52/83/12/934528312.db2.gz GXKMFDXJNHIZJL-OAGGEKHMSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C[C@@H](O)CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253577713 935235717 /nfs/dbraw/zinc/23/57/17/935235717.db2.gz YBMGQLRIUSKAQH-HZSPNIEDSA-N 1 3 278.421 1.659 20 30 CDEDHO C=C[C@@H](O)CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253577713 935235720 /nfs/dbraw/zinc/23/57/20/935235720.db2.gz YBMGQLRIUSKAQH-HZSPNIEDSA-N 1 3 278.421 1.659 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001121990660 937897153 /nfs/dbraw/zinc/89/71/53/937897153.db2.gz QNZQTSIAMHGGKH-HUUCEWRRSA-N 1 3 299.459 1.641 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826472 938829926 /nfs/dbraw/zinc/82/99/26/938829926.db2.gz IGSYEWVYZMYBNC-UHFFFAOYSA-N 1 3 299.846 1.711 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc(C)c(C#N)n1 ZINC001163126006 939206551 /nfs/dbraw/zinc/20/65/51/939206551.db2.gz MNRYYKQXVJWUMY-UHFFFAOYSA-N 1 3 274.372 1.540 20 30 CDEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207758199 940240608 /nfs/dbraw/zinc/24/06/08/940240608.db2.gz WXGRXOVOMCNXKG-ZIAGYGMSSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207758199 940240611 /nfs/dbraw/zinc/24/06/11/940240611.db2.gz WXGRXOVOMCNXKG-ZIAGYGMSSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210782734 940712363 /nfs/dbraw/zinc/71/23/63/940712363.db2.gz ORJWNLBEGICRGR-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474574 940888477 /nfs/dbraw/zinc/88/84/77/940888477.db2.gz ZIXTWPXATZSJOJ-BZUAXINKSA-N 1 3 295.471 1.975 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc(C#N)n1 ZINC001218589624 941242938 /nfs/dbraw/zinc/24/29/38/941242938.db2.gz OTAVRMICQXVVPU-ZDUSSCGKSA-N 1 3 289.383 1.387 20 30 CDEDHO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219314697 941329291 /nfs/dbraw/zinc/32/92/91/941329291.db2.gz MCDLWYMVYYAMKE-LBPRGKRZSA-N 1 3 294.305 1.102 20 30 CDEDHO CC(C)C[C@@H](C#N)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220700807 941465101 /nfs/dbraw/zinc/46/51/01/941465101.db2.gz OXJXPXGFSIIMLJ-STQMWFEESA-N 1 3 268.405 1.100 20 30 CDEDHO C#CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCCCC1 ZINC001221276450 941508984 /nfs/dbraw/zinc/50/89/84/941508984.db2.gz YUAMGQZWCYESSD-AWEZNQCLSA-N 1 3 289.423 1.313 20 30 CDEDHO C#CC1(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCCCC1 ZINC001221276450 941508986 /nfs/dbraw/zinc/50/89/86/941508986.db2.gz YUAMGQZWCYESSD-AWEZNQCLSA-N 1 3 289.423 1.313 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227056735 942122872 /nfs/dbraw/zinc/12/28/72/942122872.db2.gz KARFEOFRHUQJTM-RBSFLKMASA-N 1 3 279.428 1.367 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228445004 942317477 /nfs/dbraw/zinc/31/74/77/942317477.db2.gz KNTLUKDLUOJBPJ-BZUAXINKSA-N 1 3 293.455 1.613 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001262568376 946720557 /nfs/dbraw/zinc/72/05/57/946720557.db2.gz UFCDKRDMZMIPJG-SFHVURJKSA-N 1 3 297.402 1.669 20 30 CDEDHO C=CCCCCCC[C@@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246024543 947903199 /nfs/dbraw/zinc/90/31/99/947903199.db2.gz USCRKBYTJWOHIK-RRFJBIMHSA-N 1 3 270.417 1.125 20 30 CDEDHO C=C[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC001332879803 957911422 /nfs/dbraw/zinc/91/14/22/957911422.db2.gz CQOADRJWLQAOGJ-AVOUXACISA-N 1 3 268.401 1.419 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001340128678 962763065 /nfs/dbraw/zinc/76/30/65/962763065.db2.gz NYLNGODOSOQHRE-JSGCOSHPSA-N 1 3 288.395 1.520 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669841 963062871 /nfs/dbraw/zinc/06/28/71/963062871.db2.gz AOUGHCPQHXCZPJ-CVEARBPZSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001340669841 963062883 /nfs/dbraw/zinc/06/28/83/963062883.db2.gz AOUGHCPQHXCZPJ-CVEARBPZSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001340805811 963132930 /nfs/dbraw/zinc/13/29/30/963132930.db2.gz AVYXULYSABPHOC-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001341284710 963351283 /nfs/dbraw/zinc/35/12/83/963351283.db2.gz MMHHXQPOIWMMRH-CQSZACIVSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC001341284710 963351292 /nfs/dbraw/zinc/35/12/92/963351292.db2.gz MMHHXQPOIWMMRH-CQSZACIVSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCCN(C(C)C)CC1 ZINC001341284710 963351305 /nfs/dbraw/zinc/35/13/05/963351305.db2.gz MMHHXQPOIWMMRH-CQSZACIVSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001341632495 963490485 /nfs/dbraw/zinc/49/04/85/963490485.db2.gz VWMYFQQZZFXYTQ-QWHCGFSZSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC001341632495 963490488 /nfs/dbraw/zinc/49/04/88/963490488.db2.gz VWMYFQQZZFXYTQ-QWHCGFSZSA-N 1 3 253.390 1.271 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001347881409 965736875 /nfs/dbraw/zinc/73/68/75/965736875.db2.gz HBQLBJALHMAMLN-LBPRGKRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100382877 968180995 /nfs/dbraw/zinc/18/09/95/968180995.db2.gz AHAGRPVGCKRZFV-UYSNPLJNSA-N 1 3 291.439 1.369 20 30 CDEDHO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001507154371 975356365 /nfs/dbraw/zinc/35/63/65/975356365.db2.gz VMTVRGPZWYERKX-UONOGXRCSA-N 1 3 267.417 1.032 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001391940822 977157545 /nfs/dbraw/zinc/15/75/45/977157545.db2.gz VUASKWQXJXSKHH-NWDGAFQWSA-N 1 3 287.835 1.423 20 30 CDEDHO CN1CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000442877699 362099918 /nfs/dbraw/zinc/09/99/18/362099918.db2.gz ROKYXLUTICKIQY-KBPBESRZSA-N 1 3 264.417 1.294 20 30 CDEDHO CN(C)CCN(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000598918718 343926453 /nfs/dbraw/zinc/92/64/53/343926453.db2.gz WXMBPBUQZFUEHX-UHFFFAOYSA-N 1 3 274.412 1.531 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000068079943 349048035 /nfs/dbraw/zinc/04/80/35/349048035.db2.gz JTQQYBHNLYZBNA-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264079792 362960510 /nfs/dbraw/zinc/96/05/10/362960510.db2.gz GXRHUKMBBYZTJF-UHFFFAOYSA-N 1 3 286.423 1.915 20 30 CDEDHO CN(C)CCOc1ccc(CCNC(=[NH2+])NC2CC2)cc1 ZINC000264255824 363011263 /nfs/dbraw/zinc/01/12/63/363011263.db2.gz IGUZQAOSFJQOPS-UHFFFAOYSA-N 1 3 290.411 1.236 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000337141823 360005470 /nfs/dbraw/zinc/00/54/70/360005470.db2.gz SQQZEPHPGFYQEM-AWEZNQCLSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000178768893 189144785 /nfs/dbraw/zinc/14/47/85/189144785.db2.gz UQFWBBSGLJKXFO-INIZCTEOSA-N 1 3 287.407 1.496 20 30 CDEDHO CC[C@@H]([NH3+])CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423478443 374383020 /nfs/dbraw/zinc/38/30/20/374383020.db2.gz UPDJUXCFMOUMTG-CQSZACIVSA-N 1 3 272.396 1.854 20 30 CDEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CC2 ZINC000353406444 375475907 /nfs/dbraw/zinc/47/59/07/375475907.db2.gz WXACJTMEYSKPPL-WBVHZDCISA-N 1 3 285.391 1.592 20 30 CDEDHO C=CC[C@]1(C(=O)N[C@H](C)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000662887519 413658969 /nfs/dbraw/zinc/65/89/69/413658969.db2.gz ZFEBIAGOERFUGH-NVXWUHKLSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000171731533 329079614 /nfs/dbraw/zinc/07/96/14/329079614.db2.gz QAZHSPNGRRTPRJ-UHFFFAOYSA-N 1 3 282.432 1.276 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000171731533 329079615 /nfs/dbraw/zinc/07/96/15/329079615.db2.gz QAZHSPNGRRTPRJ-UHFFFAOYSA-N 1 3 282.432 1.276 20 30 CDEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)C(C)(C)C ZINC000262334093 330006584 /nfs/dbraw/zinc/00/65/84/330006584.db2.gz WIFOWCKEROHBDW-CHWSQXEVSA-N 1 3 264.417 1.423 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCS1 ZINC000262352770 330007682 /nfs/dbraw/zinc/00/76/82/330007682.db2.gz FKFAQILKMHVKPZ-OCCSQVGLSA-N 1 3 284.473 1.661 20 30 CDEDHO C[NH+]=C(NCc1ccco1)N1CC[C@H](N2CCCCC2)C1 ZINC000262439346 330013010 /nfs/dbraw/zinc/01/30/10/330013010.db2.gz HHMDTJREPQSWDM-AWEZNQCLSA-N 1 3 290.411 1.915 20 30 CDEDHO CN(C)C(=[NH+]CC1(N2CCCC2)CCOCC1)N(C)C ZINC000262553715 330021166 /nfs/dbraw/zinc/02/11/66/330021166.db2.gz ZYMBTGGILMBSJB-UHFFFAOYSA-N 1 3 282.432 1.111 20 30 CDEDHO CCCN1CCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262634389 330023767 /nfs/dbraw/zinc/02/37/67/330023767.db2.gz GJZYBTAIHJOZIW-LBPRGKRZSA-N 1 3 270.446 1.224 20 30 CDEDHO C#CCNC(NCC1(N(C)C)CCCCCC1)=[NH+]C ZINC000262636072 330023773 /nfs/dbraw/zinc/02/37/73/330023773.db2.gz NAEFGSAMMIDWCR-UHFFFAOYSA-N 1 3 264.417 1.439 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423096583 330169895 /nfs/dbraw/zinc/16/98/95/330169895.db2.gz PMIDPIKGNVJGON-TUVASFSCSA-N 1 3 252.402 1.945 20 30 CDEDHO CC(C)C[C@H](CNC(=O)[C@@H](N)CCCC#N)[NH+](C)C ZINC000424137055 330273293 /nfs/dbraw/zinc/27/32/93/330273293.db2.gz RNVVZXICGGDLPD-OLZOCXBDSA-N 1 3 268.405 1.100 20 30 CDEDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424141681 330283830 /nfs/dbraw/zinc/28/38/30/330283830.db2.gz HLGIVOLJMJWRGE-UONOGXRCSA-N 1 3 280.416 1.388 20 30 CDEDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424141681 330283831 /nfs/dbraw/zinc/28/38/31/330283831.db2.gz HLGIVOLJMJWRGE-UONOGXRCSA-N 1 3 280.416 1.388 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000491264057 332176252 /nfs/dbraw/zinc/17/62/52/332176252.db2.gz DRXDNOKGZAIVQM-HNNXBMFYSA-N 1 3 294.443 1.066 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000491264057 332176254 /nfs/dbraw/zinc/17/62/54/332176254.db2.gz DRXDNOKGZAIVQM-HNNXBMFYSA-N 1 3 294.443 1.066 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@H]2CCN(Cc3ccccc3)C2)N1 ZINC000261540827 334191614 /nfs/dbraw/zinc/19/16/14/334191614.db2.gz FIBXWUXVAANKRT-DZGCQCFKSA-N 1 3 272.396 1.446 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518588 1159818117 /nfs/dbraw/zinc/81/81/17/1159818117.db2.gz VYNWWBKEZQNAAS-CQSZACIVSA-N 1 3 288.395 1.146 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518588 1159818126 /nfs/dbraw/zinc/81/81/26/1159818126.db2.gz VYNWWBKEZQNAAS-CQSZACIVSA-N 1 3 288.395 1.146 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000669385689 482763457 /nfs/dbraw/zinc/76/34/57/482763457.db2.gz FGVMLVPSLHQFMT-KGLIPLIRSA-N 1 3 282.432 1.331 20 30 CDEDHO CC#CCNCCN(CC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001754050567 1185442263 /nfs/dbraw/zinc/44/22/63/1185442263.db2.gz CYWSHXMHRXCBJT-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC000763042340 576703125 /nfs/dbraw/zinc/70/31/25/576703125.db2.gz LECHLSJGYAMBHD-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982087260 613002659 /nfs/dbraw/zinc/00/26/59/613002659.db2.gz XQXSXVUBKVVZTM-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244244 613008324 /nfs/dbraw/zinc/00/83/24/613008324.db2.gz GFQZDPXRDGIWNH-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244244 613008326 /nfs/dbraw/zinc/00/83/26/613008326.db2.gz GFQZDPXRDGIWNH-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947496609 613223688 /nfs/dbraw/zinc/22/36/88/613223688.db2.gz CDUDGWGZUDBAGY-HUUCEWRRSA-N 1 3 289.423 1.217 20 30 CDEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642854 613305119 /nfs/dbraw/zinc/30/51/19/613305119.db2.gz RXRDZEXXZNMQEK-OWCLPIDISA-N 1 3 291.439 1.130 20 30 CDEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642854 613305121 /nfs/dbraw/zinc/30/51/21/613305121.db2.gz RXRDZEXXZNMQEK-OWCLPIDISA-N 1 3 291.439 1.130 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970336146 613348190 /nfs/dbraw/zinc/34/81/90/613348190.db2.gz ZAWBXLQJWSPJCK-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841375 613488844 /nfs/dbraw/zinc/48/88/44/613488844.db2.gz AIBKNVGKBNENRC-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841375 613488845 /nfs/dbraw/zinc/48/88/45/613488845.db2.gz AIBKNVGKBNENRC-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473246 613806698 /nfs/dbraw/zinc/80/66/98/613806698.db2.gz WMUAQQYHPMKBOC-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473246 613806699 /nfs/dbraw/zinc/80/66/99/613806699.db2.gz WMUAQQYHPMKBOC-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000963955008 613859491 /nfs/dbraw/zinc/85/94/91/613859491.db2.gz IBNSNPHFUGQLBC-UHFFFAOYSA-N 1 3 276.384 1.497 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CC#N ZINC000849040418 617766386 /nfs/dbraw/zinc/76/63/86/617766386.db2.gz KGIBBCLVFSRBTH-LBPRGKRZSA-N 1 3 265.405 1.525 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891921713 617776125 /nfs/dbraw/zinc/77/61/25/617776125.db2.gz SPYACLKDAGXQOF-CQSZACIVSA-N 1 3 294.443 1.019 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900597816 623274644 /nfs/dbraw/zinc/27/46/44/623274644.db2.gz AEARQTCZVTWJQP-JKSUJKDBSA-N 1 3 291.439 1.770 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900597816 623274652 /nfs/dbraw/zinc/27/46/52/623274652.db2.gz AEARQTCZVTWJQP-JKSUJKDBSA-N 1 3 291.439 1.770 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265385 1163219532 /nfs/dbraw/zinc/21/95/32/1163219532.db2.gz MFCCKMUSYFLUBV-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274891 1163622431 /nfs/dbraw/zinc/62/24/31/1163622431.db2.gz ODIVTFCLUOYXLT-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174683247 1164301148 /nfs/dbraw/zinc/30/11/48/1164301148.db2.gz RVYYBETVGAWQDC-UHFFFAOYSA-N 1 3 264.373 1.323 20 30 CDEDHO COc1cc(C#N)ccc1OCCN[C@](C)(C[NH3+])C(C)C ZINC001579139178 1172104318 /nfs/dbraw/zinc/10/43/18/1172104318.db2.gz OKBYTWFPMSIZHS-MRXNPFEDSA-N 1 3 291.395 1.909 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001753323119 1183970518 /nfs/dbraw/zinc/97/05/18/1183970518.db2.gz LNEARZDYAHGBAH-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001753323119 1183970520 /nfs/dbraw/zinc/97/05/20/1183970520.db2.gz LNEARZDYAHGBAH-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001753074262 1185041330 /nfs/dbraw/zinc/04/13/30/1185041330.db2.gz FLEHHXDVESKYPB-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001753074262 1185041335 /nfs/dbraw/zinc/04/13/35/1185041335.db2.gz FLEHHXDVESKYPB-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CCN1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001753458000 1185218686 /nfs/dbraw/zinc/21/86/86/1185218686.db2.gz AFYQZEOLHSZPNA-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CN1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001753675022 1185294679 /nfs/dbraw/zinc/29/46/79/1185294679.db2.gz ODAFIPOLANKIGH-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO CC#CCNCCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754050567 1185442259 /nfs/dbraw/zinc/44/22/59/1185442259.db2.gz CYWSHXMHRXCBJT-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537498 774267701 /nfs/dbraw/zinc/26/77/01/774267701.db2.gz MLQYIFOWRCDHLC-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537498 774267718 /nfs/dbraw/zinc/26/77/18/774267718.db2.gz MLQYIFOWRCDHLC-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C[NH+]=C(NC[C@H](C)N1CCCC[C@H]1C)NC1CC1 ZINC000848987223 774380714 /nfs/dbraw/zinc/38/07/14/774380714.db2.gz NGGTYESQIFYZBD-NEPJUHHUSA-N 1 3 252.406 1.577 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001003007547 774456834 /nfs/dbraw/zinc/45/68/34/774456834.db2.gz JZKJFOOVDGGMSL-HNNXBMFYSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001003007547 774456841 /nfs/dbraw/zinc/45/68/41/774456841.db2.gz JZKJFOOVDGGMSL-HNNXBMFYSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377067 774525985 /nfs/dbraw/zinc/52/59/85/774525985.db2.gz ZVAHQGPTXGUHTF-WBVHZDCISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046377067 774525993 /nfs/dbraw/zinc/52/59/93/774525993.db2.gz ZVAHQGPTXGUHTF-WBVHZDCISA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001023130196 774720017 /nfs/dbraw/zinc/72/00/17/774720017.db2.gz DNAVUJQZWJDGSO-GASCZTMLSA-N 1 3 285.391 1.232 20 30 CDEDHO CCCCCCNC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000303898990 774811228 /nfs/dbraw/zinc/81/12/28/774811228.db2.gz VVWNRXJYVMNQOQ-OAHLLOKOSA-N 1 3 297.491 1.355 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001023130529 774826950 /nfs/dbraw/zinc/82/69/50/774826950.db2.gz SNLZLTYXIYXEMI-HZSPNIEDSA-N 1 3 265.401 1.284 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999364880 775084077 /nfs/dbraw/zinc/08/40/77/775084077.db2.gz NYGIVMRINJLYND-ZDUSSCGKSA-N 1 3 265.401 1.237 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@@]2(N(C)C)CCC[C@@H](C)C2)N1 ZINC000261579316 776055288 /nfs/dbraw/zinc/05/52/88/776055288.db2.gz PKYMDMFFRPRKNI-YRGRVCCFSA-N 1 3 252.406 1.434 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995921747 776425314 /nfs/dbraw/zinc/42/53/14/776425314.db2.gz BLZDKAFUDXZHNR-KGLIPLIRSA-N 1 3 281.444 1.585 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041693228 776747027 /nfs/dbraw/zinc/74/70/27/776747027.db2.gz RFAUXGSADJBLJL-GOEBONIOSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041693228 776747043 /nfs/dbraw/zinc/74/70/43/776747043.db2.gz RFAUXGSADJBLJL-GOEBONIOSA-N 1 3 279.428 1.437 20 30 CDEDHO C[NH+](C)CC1(O)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000931481070 776817928 /nfs/dbraw/zinc/81/79/28/776817928.db2.gz CIIUBEIGMWGBJA-CHWSQXEVSA-N 1 3 251.374 1.067 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000303874500 776856451 /nfs/dbraw/zinc/85/64/51/776856451.db2.gz HFTUINDCVQAGBS-GOEBONIOSA-N 1 3 298.475 1.828 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027575704 776876687 /nfs/dbraw/zinc/87/66/87/776876687.db2.gz CJRZUGATQXBHJJ-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027575704 776876691 /nfs/dbraw/zinc/87/66/91/776876691.db2.gz CJRZUGATQXBHJJ-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020589112 776890004 /nfs/dbraw/zinc/89/00/04/776890004.db2.gz XFCUIVRNUJQSFF-MGPQQGTHSA-N 1 3 265.401 1.141 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992422170 776893222 /nfs/dbraw/zinc/89/32/22/776893222.db2.gz ZODBHHJLTBHXPP-YQQAZPJKSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992422170 776893225 /nfs/dbraw/zinc/89/32/25/776893225.db2.gz ZODBHHJLTBHXPP-YQQAZPJKSA-N 1 3 289.423 1.075 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCCC3)C2)C1 ZINC001041833778 777165968 /nfs/dbraw/zinc/16/59/68/777165968.db2.gz UBYANYFQKFWLAH-QGZVFWFLSA-N 1 3 289.423 1.030 20 30 CDEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCCC3)C2)C1 ZINC001041833778 777165978 /nfs/dbraw/zinc/16/59/78/777165978.db2.gz UBYANYFQKFWLAH-QGZVFWFLSA-N 1 3 289.423 1.030 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001034659407 777192889 /nfs/dbraw/zinc/19/28/89/777192889.db2.gz SMRNGQCRZOHRCJ-JYJNAYRXSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810415 777213324 /nfs/dbraw/zinc/21/33/24/777213324.db2.gz CDKUHBUJBXFVHO-LXTVHRRPSA-N 1 3 277.412 1.045 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810415 777213328 /nfs/dbraw/zinc/21/33/28/777213328.db2.gz CDKUHBUJBXFVHO-LXTVHRRPSA-N 1 3 277.412 1.045 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985711932 777490943 /nfs/dbraw/zinc/49/09/43/777490943.db2.gz AMMBSNCKGRCTNF-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985711932 777490945 /nfs/dbraw/zinc/49/09/45/777490945.db2.gz AMMBSNCKGRCTNF-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052869436 777542758 /nfs/dbraw/zinc/54/27/58/777542758.db2.gz DONUAEPCMYVYFO-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052869436 777542775 /nfs/dbraw/zinc/54/27/75/777542775.db2.gz DONUAEPCMYVYFO-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997950692 777748305 /nfs/dbraw/zinc/74/83/05/777748305.db2.gz SDEYCGVAMMBFSK-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997950692 777748318 /nfs/dbraw/zinc/74/83/18/777748318.db2.gz SDEYCGVAMMBFSK-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO N#Cc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000872146284 777880333 /nfs/dbraw/zinc/88/03/33/777880333.db2.gz JWVIBZBQWNCDJQ-HNNXBMFYSA-N 1 3 299.422 1.465 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000261989453 777896154 /nfs/dbraw/zinc/89/61/54/777896154.db2.gz LGLMJPDUUYGPGV-CHWSQXEVSA-N 1 3 252.406 1.587 20 30 CDEDHO CN(C[C@@H](O)CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000886203169 778496988 /nfs/dbraw/zinc/49/69/88/778496988.db2.gz OJIZQMDGTAIGQW-QXULXFAOSA-N 1 3 291.439 1.988 20 30 CDEDHO CN(C[C@@H](O)CC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000886203169 778497002 /nfs/dbraw/zinc/49/70/02/778497002.db2.gz OJIZQMDGTAIGQW-QXULXFAOSA-N 1 3 291.439 1.988 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027441129 779023274 /nfs/dbraw/zinc/02/32/74/779023274.db2.gz RWRGYQCZSKMMRL-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027441129 779023282 /nfs/dbraw/zinc/02/32/82/779023282.db2.gz RWRGYQCZSKMMRL-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000687585 779655507 /nfs/dbraw/zinc/65/55/07/779655507.db2.gz SSUDURSYZGHCHG-MRXNPFEDSA-N 1 3 289.423 1.263 20 30 CDEDHO C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041645245 779661135 /nfs/dbraw/zinc/66/11/35/779661135.db2.gz KVQOHZUSEVIFIP-NVXWUHKLSA-N 1 3 291.439 1.130 20 30 CDEDHO C=CCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000066245713 779847449 /nfs/dbraw/zinc/84/74/49/779847449.db2.gz DSRRCAGCGINYAH-GXTWGEPZSA-N 1 3 252.406 1.587 20 30 CDEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039460028 779951681 /nfs/dbraw/zinc/95/16/81/779951681.db2.gz VPIOBSPTIWXDPC-OAGGEKHMSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460028 779951687 /nfs/dbraw/zinc/95/16/87/779951687.db2.gz VPIOBSPTIWXDPC-OAGGEKHMSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705371 780154065 /nfs/dbraw/zinc/15/40/65/780154065.db2.gz PAORXBWPZXQGRY-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705371 780154075 /nfs/dbraw/zinc/15/40/75/780154075.db2.gz PAORXBWPZXQGRY-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CN(CC)CC)C1 ZINC001150469270 913450992 /nfs/dbraw/zinc/45/09/92/913450992.db2.gz DQMBKBGLUOEUJR-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)CN(CC)CC)C1 ZINC001150469270 913450999 /nfs/dbraw/zinc/45/09/99/913450999.db2.gz DQMBKBGLUOEUJR-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294453 895442771 /nfs/dbraw/zinc/44/27/71/895442771.db2.gz QJOCUSYHTSKYNH-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176278766 914012408 /nfs/dbraw/zinc/01/24/08/914012408.db2.gz IYTZSBAPBIAAIX-CQSZACIVSA-N 1 3 267.417 1.226 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104936059 899684492 /nfs/dbraw/zinc/68/44/92/899684492.db2.gz ARIAPMWFTIDGST-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796964 905852634 /nfs/dbraw/zinc/85/26/34/905852634.db2.gz SIMVSAIGGKZCGL-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796964 905852640 /nfs/dbraw/zinc/85/26/40/905852640.db2.gz SIMVSAIGGKZCGL-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088327275 906904197 /nfs/dbraw/zinc/90/41/97/906904197.db2.gz JKITWJSGAMTTRO-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO N=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC001168358263 909267468 /nfs/dbraw/zinc/26/74/68/909267468.db2.gz OQTGMCROFCEQOU-UHFFFAOYSA-N 1 3 276.359 1.800 20 30 CDEDHO C[C@@H](CCCC#N)N1CCN(CCC[NH+](C)C)CC1 ZINC001172499949 911733004 /nfs/dbraw/zinc/73/30/04/911733004.db2.gz HITPPLYQXNLFEH-HNNXBMFYSA-N 1 3 266.433 1.638 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178359321 915393858 /nfs/dbraw/zinc/39/38/58/915393858.db2.gz GAGGNGYMXHKFQR-MELADBBJSA-N 1 3 265.401 1.236 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178760008 915615611 /nfs/dbraw/zinc/61/56/11/915615611.db2.gz VLMIZQJPNAAJNK-HNNXBMFYSA-N 1 3 281.444 1.472 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576409 918547585 /nfs/dbraw/zinc/54/75/85/918547585.db2.gz KYLXWVOLWSIOSG-OAHLLOKOSA-N 1 3 289.423 1.076 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676431 919720904 /nfs/dbraw/zinc/72/09/04/919720904.db2.gz WZYIERYDNTVJNS-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185731050 919733755 /nfs/dbraw/zinc/73/37/55/919733755.db2.gz KXZDBOPHCDBBKB-CQSZACIVSA-N 1 3 281.444 1.731 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185751748 919754192 /nfs/dbraw/zinc/75/41/92/919754192.db2.gz QFRPBNPMOCXGTC-JKSUJKDBSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186459512 920042868 /nfs/dbraw/zinc/04/28/68/920042868.db2.gz WXMHXNNFKRGNGX-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121302105 937866480 /nfs/dbraw/zinc/86/64/80/937866480.db2.gz NQCUVMYAAJMKQW-SWAPUOLTSA-N 1 3 279.428 1.530 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190901058 922261042 /nfs/dbraw/zinc/26/10/42/922261042.db2.gz UAUMZVMOGAUYRT-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190901058 922261050 /nfs/dbraw/zinc/26/10/50/922261050.db2.gz UAUMZVMOGAUYRT-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168755237 922666268 /nfs/dbraw/zinc/66/62/68/922666268.db2.gz JLYGGLKLNWBVGK-AWEZNQCLSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601075 923831768 /nfs/dbraw/zinc/83/17/68/923831768.db2.gz RQCBOYIBZASIIS-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601075 923831775 /nfs/dbraw/zinc/83/17/75/923831775.db2.gz RQCBOYIBZASIIS-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037607 924027235 /nfs/dbraw/zinc/02/72/35/924027235.db2.gz GZYQQKMEJYQHCZ-HNNXBMFYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037607 924027244 /nfs/dbraw/zinc/02/72/44/924027244.db2.gz GZYQQKMEJYQHCZ-HNNXBMFYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283492 924159227 /nfs/dbraw/zinc/15/92/27/924159227.db2.gz CFPWTAWHLAMLDD-AWEZNQCLSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283492 924159238 /nfs/dbraw/zinc/15/92/38/924159238.db2.gz CFPWTAWHLAMLDD-AWEZNQCLSA-N 1 3 267.417 1.435 20 30 CDEDHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001273796008 925920356 /nfs/dbraw/zinc/92/03/56/925920356.db2.gz SPZXPGRNPDSCHE-OAHLLOKOSA-N 1 3 293.455 1.567 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475523 937059104 /nfs/dbraw/zinc/05/91/04/937059104.db2.gz RUCMFDVDXRXGQQ-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475523 937059106 /nfs/dbraw/zinc/05/91/06/937059106.db2.gz RUCMFDVDXRXGQQ-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086278706 926927085 /nfs/dbraw/zinc/92/70/85/926927085.db2.gz KPRDLLRFQNXZMN-FZNQNYSPSA-N 1 3 299.418 1.479 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111914 937122542 /nfs/dbraw/zinc/12/25/42/937122542.db2.gz UWDMFQRKHBQXNM-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111914 937122544 /nfs/dbraw/zinc/12/25/44/937122544.db2.gz UWDMFQRKHBQXNM-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO C=C(Cl)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490701356 927310079 /nfs/dbraw/zinc/31/00/79/927310079.db2.gz QRYFCGDKPCVUPR-AWEZNQCLSA-N 1 3 299.846 1.565 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115170510 937332682 /nfs/dbraw/zinc/33/26/82/937332682.db2.gz SYIMWYJMJYKGIT-VIKVFOODSA-N 1 3 288.395 1.273 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115170510 937332684 /nfs/dbraw/zinc/33/26/84/937332684.db2.gz SYIMWYJMJYKGIT-VIKVFOODSA-N 1 3 288.395 1.273 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115573094 937396082 /nfs/dbraw/zinc/39/60/82/937396082.db2.gz HQZOIBDMTAQFGD-OAHLLOKOSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979921 930580456 /nfs/dbraw/zinc/58/04/56/930580456.db2.gz KGSCKSWCUJNAEJ-GJZGRUSLSA-N 1 3 299.459 1.404 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031472 930611726 /nfs/dbraw/zinc/61/17/26/930611726.db2.gz LPDXVSRHDMRHNP-QWRGUYRKSA-N 1 3 264.373 1.320 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153823984 937474586 /nfs/dbraw/zinc/47/45/86/937474586.db2.gz GTTVNVOPTLKEMM-UKRRQHHQSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153823984 937474588 /nfs/dbraw/zinc/47/45/88/937474588.db2.gz GTTVNVOPTLKEMM-UKRRQHHQSA-N 1 3 279.428 1.177 20 30 CDEDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cccc(C#N)c1)C2 ZINC001275290346 931725134 /nfs/dbraw/zinc/72/51/34/931725134.db2.gz HPIBUPKJENKGHH-MSOLQXFVSA-N 1 3 298.434 1.626 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155263314 937655133 /nfs/dbraw/zinc/65/51/33/937655133.db2.gz QGUZNJBAKONMBB-OAHLLOKOSA-N 1 3 295.471 1.814 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155263314 937655134 /nfs/dbraw/zinc/65/51/34/937655134.db2.gz QGUZNJBAKONMBB-OAHLLOKOSA-N 1 3 295.471 1.814 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001121990661 937896823 /nfs/dbraw/zinc/89/68/23/937896823.db2.gz QNZQTSIAMHGGKH-LSDHHAIUSA-N 1 3 299.459 1.641 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001122055749 937902253 /nfs/dbraw/zinc/90/22/53/937902253.db2.gz NCMDJXQNHGEHRC-HZPDHXFCSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158426008 938623314 /nfs/dbraw/zinc/62/33/14/938623314.db2.gz YOHSTZPGFJNYLB-MELADBBJSA-N 1 3 265.401 1.413 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651688 939699624 /nfs/dbraw/zinc/69/96/24/939699624.db2.gz PBAOHPRQFAITGV-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799177 939792047 /nfs/dbraw/zinc/79/20/47/939792047.db2.gz SEFZWSDKLGEGNH-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474506 940888486 /nfs/dbraw/zinc/88/84/86/940888486.db2.gz VSSFJUFVVQQWNJ-RBSFLKMASA-N 1 3 279.428 1.032 20 30 CDEDHO Cc1[nH]c(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C#N)c1C ZINC001218556633 941235755 /nfs/dbraw/zinc/23/57/55/941235755.db2.gz VSCXYOJOXXTEKX-ZDUSSCGKSA-N 1 3 291.399 1.501 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001218871168 941281783 /nfs/dbraw/zinc/28/17/83/941281783.db2.gz HYZVSXWHIIBYLW-FZMZJTMJSA-N 1 3 284.363 1.061 20 30 CDEDHO C#CCN1CCC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541989 941877060 /nfs/dbraw/zinc/87/70/60/941877060.db2.gz FTFWITCGXDKLQF-GASCZTMLSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541989 941877063 /nfs/dbraw/zinc/87/70/63/941877063.db2.gz FTFWITCGXDKLQF-GASCZTMLSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226801416 942073903 /nfs/dbraw/zinc/07/39/03/942073903.db2.gz WPIBGLRKVCKYDM-BZUAXINKSA-N 1 3 291.439 1.367 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150144 942141196 /nfs/dbraw/zinc/14/11/96/942141196.db2.gz KPEAKXHIOUAZMU-HUUCEWRRSA-N 1 3 293.455 1.757 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001263103033 943745031 /nfs/dbraw/zinc/74/50/31/943745031.db2.gz LSKNABYQCHUGLX-SCRDCRAPSA-N 1 3 265.401 1.411 20 30 CDEDHO C=C[C@@](C)(O)CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252557412 951449147 /nfs/dbraw/zinc/44/91/47/951449147.db2.gz MHPNORFJIAPTQZ-OAHLLOKOSA-N 1 3 261.369 1.449 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153464 1163182490 /nfs/dbraw/zinc/18/24/90/1163182490.db2.gz QWBNIZXMNMPNLZ-CABCVRRESA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132153464 1163182493 /nfs/dbraw/zinc/18/24/93/1163182493.db2.gz QWBNIZXMNMPNLZ-CABCVRRESA-N 1 3 293.455 1.709 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274890 1163622769 /nfs/dbraw/zinc/62/27/69/1163622769.db2.gz ODIVTFCLUOYXLT-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)CNCCC[NH+]1CCCCC1 ZINC000598705033 343877378 /nfs/dbraw/zinc/87/73/78/343877378.db2.gz XGIULRYNVVYYPF-CQSZACIVSA-N 1 3 267.417 1.753 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000264055058 362953697 /nfs/dbraw/zinc/95/36/97/362953697.db2.gz AJCAFIADKBEILZ-HNNXBMFYSA-N 1 3 274.412 1.618 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000565549988 538340966 /nfs/dbraw/zinc/34/09/66/538340966.db2.gz QJMVOJVRWAXMEE-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000358189472 356636304 /nfs/dbraw/zinc/63/63/04/356636304.db2.gz MQVMZLHNEVSGSG-CZUORRHYSA-N 1 3 273.380 1.867 20 30 CDEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000358189472 356636305 /nfs/dbraw/zinc/63/63/05/356636305.db2.gz MQVMZLHNEVSGSG-CZUORRHYSA-N 1 3 273.380 1.867 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417528893 377877167 /nfs/dbraw/zinc/87/71/67/377877167.db2.gz PBASDTNTDMYCKF-OAHLLOKOSA-N 1 3 294.443 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664017711 413022662 /nfs/dbraw/zinc/02/26/62/413022662.db2.gz ZOEHYCGTLSBTAW-AWEZNQCLSA-N 1 3 296.459 1.666 20 30 CDEDHO CN(C)C(=[NH2+])NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000178567060 391187951 /nfs/dbraw/zinc/18/79/51/391187951.db2.gz UWGSHXWGIFYTIX-UHFFFAOYSA-N 1 3 290.411 1.020 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000339059094 391248595 /nfs/dbraw/zinc/24/85/95/391248595.db2.gz FMUGCSUMZDGHED-QBPKDAKJSA-N 1 3 290.455 1.636 20 30 CDEDHO C[C@@H](O)C[NH+]1CCC(CN(C)CC2(C#N)CC2)CC1 ZINC000332134718 391341979 /nfs/dbraw/zinc/34/19/79/391341979.db2.gz KQEMULODLGWKEQ-CYBMUJFWSA-N 1 3 265.401 1.315 20 30 CDEDHO CCOCCCN1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC000682535143 483277015 /nfs/dbraw/zinc/27/70/15/483277015.db2.gz AQHYEOBZXTWRTM-HZPDHXFCSA-N 1 3 282.428 1.363 20 30 CDEDHO C=CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000661377929 414034044 /nfs/dbraw/zinc/03/40/44/414034044.db2.gz WVBPQINZKYSXHB-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO CC(C#N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000347128518 226038318 /nfs/dbraw/zinc/03/83/18/226038318.db2.gz GEXUHWDRORWSNU-CYBMUJFWSA-N 1 3 289.379 1.793 20 30 CDEDHO C[NH+]=C(NCc1ccccn1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158256027 261161677 /nfs/dbraw/zinc/16/16/77/261161677.db2.gz ZORCBQAGJJAANJ-ZFWWWQNUSA-N 1 3 289.427 1.475 20 30 CDEDHO C=CCN1CC[C@H](N(C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC000414756363 263039339 /nfs/dbraw/zinc/03/93/39/263039339.db2.gz QOKZRWFEEKIQMY-MJBXVCDLSA-N 1 3 265.401 1.093 20 30 CDEDHO C[N@@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497366 263055912 /nfs/dbraw/zinc/05/59/12/263055912.db2.gz JUDHBYLHEHLRCS-HOTGVXAUSA-N 1 3 296.374 1.308 20 30 CDEDHO C[N@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497366 263055913 /nfs/dbraw/zinc/05/59/13/263055913.db2.gz JUDHBYLHEHLRCS-HOTGVXAUSA-N 1 3 296.374 1.308 20 30 CDEDHO COc1ccccc1CNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000292000523 263127105 /nfs/dbraw/zinc/12/71/05/263127105.db2.gz XMPKKCSEKBRSLB-GFCCVEGCSA-N 1 3 278.400 1.297 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCSC1 ZINC000262328324 330006353 /nfs/dbraw/zinc/00/63/53/330006353.db2.gz URDHTDNLSQCNDJ-CHWSQXEVSA-N 1 3 284.473 1.518 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCCS1 ZINC000262352465 330007591 /nfs/dbraw/zinc/00/75/91/330007591.db2.gz FKFAQILKMHVKPZ-GXTWGEPZSA-N 1 3 284.473 1.661 20 30 CDEDHO C[NH+](C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433114756 330148515 /nfs/dbraw/zinc/14/85/15/330148515.db2.gz NXKRERLHHSHYLG-OAHLLOKOSA-N 1 3 273.380 1.827 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422863545 330158134 /nfs/dbraw/zinc/15/81/34/330158134.db2.gz RXPMSRJOATXXIL-ZFWWWQNUSA-N 1 3 251.418 1.744 20 30 CDEDHO C#C[C@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000491818009 332368380 /nfs/dbraw/zinc/36/83/80/332368380.db2.gz WQPZXMLGANIXSW-HNNXBMFYSA-N 1 3 251.418 1.356 20 30 CDEDHO C#C[C@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000491818009 332368382 /nfs/dbraw/zinc/36/83/82/332368382.db2.gz WQPZXMLGANIXSW-HNNXBMFYSA-N 1 3 251.418 1.356 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000565360316 334555558 /nfs/dbraw/zinc/55/55/58/334555558.db2.gz BOFIAUCPWXWUFT-OWCLPIDISA-N 1 3 293.455 1.799 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000236655497 482600093 /nfs/dbraw/zinc/60/00/93/482600093.db2.gz XZMFPQBTVLTPLG-AWEZNQCLSA-N 1 3 281.444 1.929 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000764540279 575919879 /nfs/dbraw/zinc/91/98/79/575919879.db2.gz MQINMUWNGANIPV-ZDUSSCGKSA-N 1 3 269.433 1.587 20 30 CDEDHO C#CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000766930492 576147103 /nfs/dbraw/zinc/14/71/03/576147103.db2.gz HEDPGSHPKHUMSJ-RRFJBIMHSA-N 1 3 250.386 1.583 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CCC)C2)CC1 ZINC000970920065 613131567 /nfs/dbraw/zinc/13/15/67/613131567.db2.gz IRYQGULXFSOIDM-CQSZACIVSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980476539 613630685 /nfs/dbraw/zinc/63/06/85/613630685.db2.gz SNDXUVXLJTZIPS-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980476539 613630689 /nfs/dbraw/zinc/63/06/89/613630689.db2.gz SNDXUVXLJTZIPS-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911634389 629378233 /nfs/dbraw/zinc/37/82/33/629378233.db2.gz NJKQBUQPMMGRPD-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000911651158 629396566 /nfs/dbraw/zinc/39/65/66/629396566.db2.gz BQDWNGWUFVZZRU-LBPRGKRZSA-N 1 3 253.390 1.448 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676339 629407322 /nfs/dbraw/zinc/40/73/22/629407322.db2.gz HFCSYUJMNFDNSG-AWEZNQCLSA-N 1 3 265.401 1.413 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339700 1161145273 /nfs/dbraw/zinc/14/52/73/1161145273.db2.gz ZFSIZRSZPSNUPG-ZIAGYGMSSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346711 1163640710 /nfs/dbraw/zinc/64/07/10/1163640710.db2.gz OHQJNLQPAIYZKV-GJZGRUSLSA-N 1 3 281.444 1.587 20 30 CDEDHO CC#CCNCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133890274 1163951705 /nfs/dbraw/zinc/95/17/05/1163951705.db2.gz NEVSMEMRRTUKNC-UHFFFAOYSA-N 1 3 287.407 1.133 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202532318 1165249848 /nfs/dbraw/zinc/24/98/48/1165249848.db2.gz XEOJRCGYVDKNAF-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC1(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[NH2+]C1 ZINC001574881080 1171035563 /nfs/dbraw/zinc/03/55/63/1171035563.db2.gz ZJVFFLOEAQNPKP-MRXNPFEDSA-N 1 3 299.418 1.543 20 30 CDEDHO C=C(C)CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001752484708 1184870396 /nfs/dbraw/zinc/87/03/96/1184870396.db2.gz QWTKVPSZMFQQIS-GDBMZVCRSA-N 1 3 293.455 1.779 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753065886 1185033530 /nfs/dbraw/zinc/03/35/30/1185033530.db2.gz CDCKBZJETQHTBJ-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001753603455 1185263663 /nfs/dbraw/zinc/26/36/63/1185263663.db2.gz ZYQTWFGQBNADGM-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001753603455 1185263664 /nfs/dbraw/zinc/26/36/64/1185263664.db2.gz ZYQTWFGQBNADGM-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868203 1185752014 /nfs/dbraw/zinc/75/20/14/1185752014.db2.gz NIQTZANQMXQJLE-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCC[C@@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252604028 1164574032 /nfs/dbraw/zinc/57/40/32/1164574032.db2.gz LFELUMRRAOEGHS-QGZVFWFLSA-N 1 3 295.471 1.273 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647898 782196490 /nfs/dbraw/zinc/19/64/90/782196490.db2.gz PKVLXDGBURFCJX-CVEARBPZSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647898 782196526 /nfs/dbraw/zinc/19/65/26/782196526.db2.gz PKVLXDGBURFCJX-CVEARBPZSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001048891595 782259440 /nfs/dbraw/zinc/25/94/40/782259440.db2.gz RFOWPAFBTFSZAF-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001048891595 782259454 /nfs/dbraw/zinc/25/94/54/782259454.db2.gz RFOWPAFBTFSZAF-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591486 780599996 /nfs/dbraw/zinc/59/99/96/780599996.db2.gz OVXMZCCVNPHPBD-HDJSIYSDSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCN1CCC(NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000884214284 782595354 /nfs/dbraw/zinc/59/53/54/782595354.db2.gz XVYNIJGRIQWRMM-CQSZACIVSA-N 1 3 281.444 1.763 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027434270 782797219 /nfs/dbraw/zinc/79/72/19/782797219.db2.gz NKCQODBZOOACOA-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027434270 782797228 /nfs/dbraw/zinc/79/72/28/782797228.db2.gz NKCQODBZOOACOA-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003628659 783182415 /nfs/dbraw/zinc/18/24/15/783182415.db2.gz SNQIVVUQQABWEI-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001037847582 781286865 /nfs/dbraw/zinc/28/68/65/781286865.db2.gz AMBZNZKABLQYJB-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000996731640 781471361 /nfs/dbraw/zinc/47/13/61/781471361.db2.gz ZCMPTRAJOUYMQV-AWEZNQCLSA-N 1 3 299.846 1.804 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001034733423 781504371 /nfs/dbraw/zinc/50/43/71/781504371.db2.gz BUSDFTSAADBYEX-KKUMJFAQSA-N 1 3 279.428 1.531 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033099257 781830545 /nfs/dbraw/zinc/83/05/45/781830545.db2.gz OJIXPWHBQBXSDO-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033099257 781830553 /nfs/dbraw/zinc/83/05/53/781830553.db2.gz OJIXPWHBQBXSDO-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022713977 783513185 /nfs/dbraw/zinc/51/31/85/783513185.db2.gz OHLCXXSUZABJJP-DVOMOZLQSA-N 1 3 297.418 1.622 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673083 914125039 /nfs/dbraw/zinc/12/50/39/914125039.db2.gz BETIKPOLVNOBRC-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948008 914395498 /nfs/dbraw/zinc/39/54/98/914395498.db2.gz CAQADYJEYJTUSX-UHFFFAOYSA-N 1 3 275.396 1.644 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791807 909442783 /nfs/dbraw/zinc/44/27/83/909442783.db2.gz DDOGUNGOGOXPRE-CABCVRRESA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791807 909442791 /nfs/dbraw/zinc/44/27/91/909442791.db2.gz DDOGUNGOGOXPRE-CABCVRRESA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C(C)C ZINC001127066280 911263408 /nfs/dbraw/zinc/26/34/08/911263408.db2.gz KZNOJIOXXACOEC-LSDHHAIUSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070217 921693253 /nfs/dbraw/zinc/69/32/53/921693253.db2.gz PEPKJVKGDGLVTE-JKSUJKDBSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070217 921693261 /nfs/dbraw/zinc/69/32/61/921693261.db2.gz PEPKJVKGDGLVTE-JKSUJKDBSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178360925 915394813 /nfs/dbraw/zinc/39/48/13/915394813.db2.gz SQANXFKDORMZCW-SOUVJXGZSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152667 936430474 /nfs/dbraw/zinc/43/04/74/936430474.db2.gz FYJDZENIKPKGDI-WBVHZDCISA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152667 936430477 /nfs/dbraw/zinc/43/04/77/936430477.db2.gz FYJDZENIKPKGDI-WBVHZDCISA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182757593 918094495 /nfs/dbraw/zinc/09/44/95/918094495.db2.gz FBYCTOLXARSFRP-IUODEOHRSA-N 1 3 276.384 1.212 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995921742 918182932 /nfs/dbraw/zinc/18/29/32/918182932.db2.gz BLZDKAFUDXZHNR-KBPBESRZSA-N 1 3 281.444 1.585 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183267795 918419583 /nfs/dbraw/zinc/41/95/83/918419583.db2.gz NFWFWRKQZSDSQE-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001183760353 918659061 /nfs/dbraw/zinc/65/90/61/918659061.db2.gz VORSWRRHLLMTID-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185347703 919537732 /nfs/dbraw/zinc/53/77/32/919537732.db2.gz KNBXHTFGVXAEQW-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185763269 919742813 /nfs/dbraw/zinc/74/28/13/919742813.db2.gz RQDWHWFEGRQQNI-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185762113 919743324 /nfs/dbraw/zinc/74/33/24/919743324.db2.gz MFOICRVKVKALQL-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158720 920906430 /nfs/dbraw/zinc/90/64/30/920906430.db2.gz WHFZRTLKKCLIST-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152672 921936914 /nfs/dbraw/zinc/93/69/14/921936914.db2.gz QUMRGZNMMCNSQY-HOTGVXAUSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033152672 921936922 /nfs/dbraw/zinc/93/69/22/921936922.db2.gz QUMRGZNMMCNSQY-HOTGVXAUSA-N 1 3 293.455 1.968 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190900479 922258251 /nfs/dbraw/zinc/25/82/51/922258251.db2.gz QDSQALDPZWRYCL-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190900479 922258265 /nfs/dbraw/zinc/25/82/65/922258265.db2.gz QDSQALDPZWRYCL-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385765 922623275 /nfs/dbraw/zinc/62/32/75/922623275.db2.gz NSYHOSZHFHEFIL-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101037321 936953742 /nfs/dbraw/zinc/95/37/42/936953742.db2.gz IFVSLGSUYBHMQJ-UHFFFAOYSA-N 1 3 267.417 1.387 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601101 937067816 /nfs/dbraw/zinc/06/78/16/937067816.db2.gz LFVIJASKHXVGPB-ZIAGYGMSSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601101 937067819 /nfs/dbraw/zinc/06/78/19/937067819.db2.gz LFVIJASKHXVGPB-ZIAGYGMSSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083680 937121258 /nfs/dbraw/zinc/12/12/58/937121258.db2.gz DBLWSGNGUUYDEU-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083680 937121260 /nfs/dbraw/zinc/12/12/60/937121260.db2.gz DBLWSGNGUUYDEU-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103444822 937142124 /nfs/dbraw/zinc/14/21/24/937142124.db2.gz KYZBWCYPEXVQJU-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103444822 937142133 /nfs/dbraw/zinc/14/21/33/937142133.db2.gz KYZBWCYPEXVQJU-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495938 928609054 /nfs/dbraw/zinc/60/90/54/928609054.db2.gz LAYYFKQEZRUWMN-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156517402 928731110 /nfs/dbraw/zinc/73/11/10/928731110.db2.gz YIBVWYHORPPHNH-OAHLLOKOSA-N 1 3 281.444 1.568 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156517402 928731117 /nfs/dbraw/zinc/73/11/17/928731117.db2.gz YIBVWYHORPPHNH-OAHLLOKOSA-N 1 3 281.444 1.568 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153313507 937438492 /nfs/dbraw/zinc/43/84/92/937438492.db2.gz UBWXMSRCLPBVLT-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153313507 937438494 /nfs/dbraw/zinc/43/84/94/937438494.db2.gz UBWXMSRCLPBVLT-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO CC(C)(CNC(=[NH2+])NCC1CCC1)N1CCCCC1 ZINC000104155083 931321019 /nfs/dbraw/zinc/32/10/19/931321019.db2.gz XJJSENOOQKMBKZ-UHFFFAOYSA-N 1 3 266.433 1.955 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029007 938859911 /nfs/dbraw/zinc/85/99/11/938859911.db2.gz JTYGNJKVVJZXLT-UHFFFAOYSA-N 1 3 279.428 1.653 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627394 939620862 /nfs/dbraw/zinc/62/08/62/939620862.db2.gz UUFOFVTZXFENNR-LSDHHAIUSA-N 1 3 281.444 1.921 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166750918 939635706 /nfs/dbraw/zinc/63/57/06/939635706.db2.gz MRGWUSQPOJBJHM-UHFFFAOYSA-N 1 3 267.417 1.084 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167044244 939675478 /nfs/dbraw/zinc/67/54/78/939675478.db2.gz JJUZKJLZCWPMOH-OAHLLOKOSA-N 1 3 293.455 1.472 20 30 CDEDHO N#CCOc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206166464 939989785 /nfs/dbraw/zinc/98/97/85/939989785.db2.gz SNWZCNQBSWXULE-HUUCEWRRSA-N 1 3 277.343 1.850 20 30 CDEDHO N#CCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206166464 939989789 /nfs/dbraw/zinc/98/97/89/939989789.db2.gz SNWZCNQBSWXULE-HUUCEWRRSA-N 1 3 277.343 1.850 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331611 940321047 /nfs/dbraw/zinc/32/10/47/940321047.db2.gz VDIUCUYNZWQJDC-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668719 940624417 /nfs/dbraw/zinc/62/44/17/940624417.db2.gz HMMJLKORBHLMOQ-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681081 940902458 /nfs/dbraw/zinc/90/24/58/940902458.db2.gz RJWSOPHXIZGLHP-UMVBOHGHSA-N 1 3 290.411 1.743 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852408 940969065 /nfs/dbraw/zinc/96/90/65/940969065.db2.gz YLCNVHDUYDHLMV-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218559359 941236572 /nfs/dbraw/zinc/23/65/72/941236572.db2.gz JAHMNRFEEKINSJ-LLVKDONJSA-N 1 3 277.372 1.119 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218627637 941247681 /nfs/dbraw/zinc/24/76/81/941247681.db2.gz HDEURMFBLGTHLP-NSHDSACASA-N 1 3 286.335 1.699 20 30 CDEDHO N#Cc1ccc(F)c(F)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219314500 941329595 /nfs/dbraw/zinc/32/95/95/941329595.db2.gz KOCPJQPZMJZUGB-JTQLQIEISA-N 1 3 282.294 1.231 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220096559 941412237 /nfs/dbraw/zinc/41/22/37/941412237.db2.gz BWYLEVOKMCAORS-KKUMJFAQSA-N 1 3 294.443 1.681 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224426677 941753512 /nfs/dbraw/zinc/75/35/12/941753512.db2.gz SCTCXUWGSJAWNR-OAHLLOKOSA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224536658 941766360 /nfs/dbraw/zinc/76/63/60/941766360.db2.gz MOUJVCFLDJUTED-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225582702 941884951 /nfs/dbraw/zinc/88/49/51/941884951.db2.gz QJOZBBWELRUALR-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265458122 944393792 /nfs/dbraw/zinc/39/37/92/944393792.db2.gz LAKWKFGJKBTHFG-AWEZNQCLSA-N 1 3 265.401 1.239 20 30 CDEDHO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533913 947513622 /nfs/dbraw/zinc/51/36/22/947513622.db2.gz RHCOEDQQSUBALJ-HUUCEWRRSA-N 1 3 295.427 1.847 20 30 CDEDHO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533913 947513625 /nfs/dbraw/zinc/51/36/25/947513625.db2.gz RHCOEDQQSUBALJ-HUUCEWRRSA-N 1 3 295.427 1.847 20 30 CDEDHO C#CC1(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254051733 952174651 /nfs/dbraw/zinc/17/46/51/952174651.db2.gz XSWNWZHATBNSTP-UHFFFAOYSA-N 1 3 284.403 1.769 20 30 CDEDHO C#CC1([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254051733 952174652 /nfs/dbraw/zinc/17/46/52/952174652.db2.gz XSWNWZHATBNSTP-UHFFFAOYSA-N 1 3 284.403 1.769 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)Nc1ccccc1 ZINC001338489542 961834006 /nfs/dbraw/zinc/83/40/06/961834006.db2.gz VBHFSVFZNMYNQK-UHFFFAOYSA-N 1 3 259.353 1.170 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001340185667 962800943 /nfs/dbraw/zinc/80/09/43/962800943.db2.gz VYHKHWHJYAWGJV-STQMWFEESA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001341659757 963500955 /nfs/dbraw/zinc/50/09/55/963500955.db2.gz SGKYYYXFFJTWLT-LSDHHAIUSA-N 1 3 279.428 1.757 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001343879652 964167412 /nfs/dbraw/zinc/16/74/12/964167412.db2.gz DTRXGOYMKPOYGK-CQSZACIVSA-N 1 3 267.417 1.470 20 30 CDEDHO CC#CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849015146 969405733 /nfs/dbraw/zinc/40/57/33/969405733.db2.gz UQFZMLOFXXXAIX-UHFFFAOYSA-N 1 3 284.407 1.788 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001521541309 970313842 /nfs/dbraw/zinc/31/38/42/970313842.db2.gz VQPBUSMVEPPZBJ-AWEZNQCLSA-N 1 3 289.379 1.791 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574852437 1171026567 /nfs/dbraw/zinc/02/65/67/1171026567.db2.gz SNOHMXFKEQZPOS-STQMWFEESA-N 1 3 285.819 1.589 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001574852437 1171026575 /nfs/dbraw/zinc/02/65/75/1171026575.db2.gz SNOHMXFKEQZPOS-STQMWFEESA-N 1 3 285.819 1.589 20 30 CDEDHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596451 343841010 /nfs/dbraw/zinc/84/10/10/343841010.db2.gz RQPGVSJJRKFFIB-KGLIPLIRSA-N 1 3 267.417 1.561 20 30 CDEDHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596451 343841011 /nfs/dbraw/zinc/84/10/11/343841011.db2.gz RQPGVSJJRKFFIB-KGLIPLIRSA-N 1 3 267.417 1.561 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000598715241 343880821 /nfs/dbraw/zinc/88/08/21/343880821.db2.gz NLRXHVLOSYOTJC-MELADBBJSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000598715241 343880824 /nfs/dbraw/zinc/88/08/24/343880824.db2.gz NLRXHVLOSYOTJC-MELADBBJSA-N 1 3 265.401 1.504 20 30 CDEDHO N#C[C@@H]1CCC[C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447561959 362457326 /nfs/dbraw/zinc/45/73/26/362457326.db2.gz JZJIXAZETRVMJO-RBSFLKMASA-N 1 3 292.427 1.246 20 30 CDEDHO N#C[C@@H]1CCC[C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000447561959 362457329 /nfs/dbraw/zinc/45/73/29/362457329.db2.gz JZJIXAZETRVMJO-RBSFLKMASA-N 1 3 292.427 1.246 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264102018 362968233 /nfs/dbraw/zinc/96/82/33/362968233.db2.gz MYAUTIQAIVYJEZ-ZDUSSCGKSA-N 1 3 292.427 1.830 20 30 CDEDHO CC(C)[C@H](CNC(=[NH2+])Nc1ccccn1)N1CCCC1 ZINC000170910364 365161132 /nfs/dbraw/zinc/16/11/32/365161132.db2.gz WFBBVKLDIZSHPE-ZDUSSCGKSA-N 1 3 275.400 1.929 20 30 CDEDHO C=CCN1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983213 375509716 /nfs/dbraw/zinc/50/97/16/375509716.db2.gz ZCOBHUPRQXBCEE-UHFFFAOYSA-N 1 3 288.395 1.917 20 30 CDEDHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1C#N ZINC000335833465 151058603 /nfs/dbraw/zinc/05/86/03/151058603.db2.gz DTNHXJOXUDWMGU-IYBDPMFKSA-N 1 3 255.365 1.860 20 30 CDEDHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1C#N ZINC000335833465 151058606 /nfs/dbraw/zinc/05/86/06/151058606.db2.gz DTNHXJOXUDWMGU-IYBDPMFKSA-N 1 3 255.365 1.860 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659450374 413837313 /nfs/dbraw/zinc/83/73/13/413837313.db2.gz NJVYWTUNLNDFIM-UHFFFAOYSA-N 1 3 282.432 1.406 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000491164671 332158931 /nfs/dbraw/zinc/15/89/31/332158931.db2.gz DIPMZHPGBWSAOO-HUUCEWRRSA-N 1 3 251.418 1.261 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C(C)C ZINC000423347327 330192674 /nfs/dbraw/zinc/19/26/74/330192674.db2.gz RDBDDSCMITTXFW-VYDXJSESSA-N 1 3 291.439 1.553 20 30 CDEDHO C[NH+](C)C1(CNC(=O)[C@@H](N)CCCC#N)CCCCC1 ZINC000424084461 330222635 /nfs/dbraw/zinc/22/26/35/330222635.db2.gz YLQJAOWDNGRGHP-ZDUSSCGKSA-N 1 3 280.416 1.388 20 30 CDEDHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424144514 330289913 /nfs/dbraw/zinc/28/99/13/330289913.db2.gz LKHCUVAPOUOIRW-CABCVRRESA-N 1 3 292.427 1.198 20 30 CDEDHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424144514 330289914 /nfs/dbraw/zinc/28/99/14/330289914.db2.gz LKHCUVAPOUOIRW-CABCVRRESA-N 1 3 292.427 1.198 20 30 CDEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424277770 330333579 /nfs/dbraw/zinc/33/35/79/330333579.db2.gz AVGRZCZAEOUXGS-CHWSQXEVSA-N 1 3 251.374 1.047 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000764612547 575926252 /nfs/dbraw/zinc/92/62/52/575926252.db2.gz NATBQPUVYAHRMM-UHFFFAOYSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000948069791 613131225 /nfs/dbraw/zinc/13/12/25/613131225.db2.gz KNDAWOVYUHYVNW-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000948069791 613131226 /nfs/dbraw/zinc/13/12/26/613131226.db2.gz KNDAWOVYUHYVNW-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610960 613289004 /nfs/dbraw/zinc/28/90/04/613289004.db2.gz XVXYIWYIUDVKLX-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610960 613289006 /nfs/dbraw/zinc/28/90/06/613289006.db2.gz XVXYIWYIUDVKLX-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)[C@H]([NH3+])C(C)(C)C ZINC001573311116 1170653719 /nfs/dbraw/zinc/65/37/19/1170653719.db2.gz XQOFLCVEFJENDE-LBPRGKRZSA-N 1 3 255.406 1.326 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001698797081 1175938318 /nfs/dbraw/zinc/93/83/18/1175938318.db2.gz DKHWYKCHEKVDTM-CQSZACIVSA-N 1 3 279.428 1.369 20 30 CDEDHO C#CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001713868725 1178803808 /nfs/dbraw/zinc/80/38/08/1178803808.db2.gz PBYGRLJVUDKUJQ-CABCVRRESA-N 1 3 279.428 1.080 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001752812184 1184920433 /nfs/dbraw/zinc/92/04/33/1184920433.db2.gz VHNHTFXIHIMNRN-HNNXBMFYSA-N 1 3 281.444 1.733 20 30 CDEDHO C#CCNCCN(CC)C(=O)CCC[NH+]1CCCCC1 ZINC001754082663 1185453260 /nfs/dbraw/zinc/45/32/60/1185453260.db2.gz ZREYPARKLXREEB-UHFFFAOYSA-N 1 3 279.428 1.324 20 30 CDEDHO C=C(C)C[NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1 ZINC001754173037 1185492055 /nfs/dbraw/zinc/49/20/55/1185492055.db2.gz FUHOSLNTBAXAFH-ZRUQZJFASA-N 1 3 265.401 1.166 20 30 CDEDHO CC#CCNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754179626 1185495409 /nfs/dbraw/zinc/49/54/09/1185495409.db2.gz LUWOOUKXQPMNGS-KXPUMZMLSA-N 1 3 291.439 1.535 20 30 CDEDHO CC#CCNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754179626 1185495411 /nfs/dbraw/zinc/49/54/11/1185495411.db2.gz LUWOOUKXQPMNGS-KXPUMZMLSA-N 1 3 291.439 1.535 20 30 CDEDHO C=CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001275310129 1166665592 /nfs/dbraw/zinc/66/55/92/1166665592.db2.gz BENDQGAQBYXGNW-JXQTWKCFSA-N 1 3 267.417 1.243 20 30 CDEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000992837204 913512287 /nfs/dbraw/zinc/51/22/87/913512287.db2.gz PJZBQSXBKWJIII-BPLDGKMQSA-N 1 3 288.395 1.355 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672325 914125890 /nfs/dbraw/zinc/12/58/90/914125890.db2.gz QGQACAGWRLNHMH-HUUCEWRRSA-N 1 3 293.455 1.282 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879636 900926850 /nfs/dbraw/zinc/92/68/50/900926850.db2.gz VSDGVCRESGNHIF-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879636 900926862 /nfs/dbraw/zinc/92/68/62/900926862.db2.gz VSDGVCRESGNHIF-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994405940 914543419 /nfs/dbraw/zinc/54/34/19/914543419.db2.gz JFNDBNOGANYALG-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994405940 914543433 /nfs/dbraw/zinc/54/34/33/914543433.db2.gz JFNDBNOGANYALG-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994405940 914543435 /nfs/dbraw/zinc/54/34/35/914543435.db2.gz JFNDBNOGANYALG-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCCC[C@@H]1C ZINC000262018650 904804282 /nfs/dbraw/zinc/80/42/82/904804282.db2.gz XATLOTFZANIRDO-RYUDHWBXSA-N 1 3 254.422 1.952 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001088390297 907091086 /nfs/dbraw/zinc/09/10/86/907091086.db2.gz KUEJSHXBPJWHMN-CYBMUJFWSA-N 1 3 276.384 1.499 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400294 921474228 /nfs/dbraw/zinc/47/42/28/921474228.db2.gz JAEKCZQSRXGETD-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400294 921474232 /nfs/dbraw/zinc/47/42/32/921474232.db2.gz JAEKCZQSRXGETD-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C[C@H](CCCC#N)[NH+](CCN(C)C)CCN(C)C ZINC001172504311 911735575 /nfs/dbraw/zinc/73/55/75/911735575.db2.gz GKJYNOHQAGHGBO-CQSZACIVSA-N 1 3 254.422 1.494 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001483952491 915239816 /nfs/dbraw/zinc/23/98/16/915239816.db2.gz XHGOXSJOAGVMMH-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179539294 915882123 /nfs/dbraw/zinc/88/21/23/915882123.db2.gz UTNDMOFKKGBKJD-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052713539 936398102 /nfs/dbraw/zinc/39/81/02/936398102.db2.gz ZQFWSBCRZDNAEJ-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052713539 936398106 /nfs/dbraw/zinc/39/81/06/936398106.db2.gz ZQFWSBCRZDNAEJ-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052869433 936403712 /nfs/dbraw/zinc/40/37/12/936403712.db2.gz DONUAEPCMYVYFO-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052869433 936403715 /nfs/dbraw/zinc/40/37/15/936403715.db2.gz DONUAEPCMYVYFO-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755246 917341122 /nfs/dbraw/zinc/34/11/22/917341122.db2.gz KWLHCUYTROUAJQ-FRFSOERESA-N 1 3 293.455 1.587 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001001001776 936545130 /nfs/dbraw/zinc/54/51/30/936545130.db2.gz LUPDSXOIDJJJSZ-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050681381 936562833 /nfs/dbraw/zinc/56/28/33/936562833.db2.gz GWHCZFADPRZEEW-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273495206 919357151 /nfs/dbraw/zinc/35/71/51/919357151.db2.gz QIFNHWHSLCSLIK-QGZVFWFLSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273495206 919357167 /nfs/dbraw/zinc/35/71/67/919357167.db2.gz QIFNHWHSLCSLIK-QGZVFWFLSA-N 1 3 293.455 1.829 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185336734 919556305 /nfs/dbraw/zinc/55/63/05/919556305.db2.gz KHIDCMIYBZDWJZ-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185724253 919730743 /nfs/dbraw/zinc/73/07/43/919730743.db2.gz WIXPANHGDNOOHL-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001202990762 936666782 /nfs/dbraw/zinc/66/67/82/936666782.db2.gz CRHXYBDTCKOPSA-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041498 936713801 /nfs/dbraw/zinc/71/38/01/936713801.db2.gz GKCKCRPQQJLQDL-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229769 922082021 /nfs/dbraw/zinc/08/20/21/922082021.db2.gz DHQFYGFKDRSLBD-OAHLLOKOSA-N 1 3 296.374 1.504 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582394 922269147 /nfs/dbraw/zinc/26/91/47/922269147.db2.gz OSQNJNBHQKERTN-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582394 922269159 /nfs/dbraw/zinc/26/91/59/922269159.db2.gz OSQNJNBHQKERTN-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168755238 922665269 /nfs/dbraw/zinc/66/52/69/922665269.db2.gz JLYGGLKLNWBVGK-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001034733424 922779994 /nfs/dbraw/zinc/77/99/94/922779994.db2.gz BUSDFTSAADBYEX-RBSFLKMASA-N 1 3 279.428 1.531 20 30 CDEDHO C[NH+](C)CC1(O)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000710671587 923260746 /nfs/dbraw/zinc/26/07/46/923260746.db2.gz IPHDIMXNSONBEF-UHFFFAOYSA-N 1 3 273.380 1.447 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266702 924140513 /nfs/dbraw/zinc/14/05/13/924140513.db2.gz YSSTYGOLGZSRNL-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266702 924140519 /nfs/dbraw/zinc/14/05/19/924140519.db2.gz YSSTYGOLGZSRNL-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080704627 924624964 /nfs/dbraw/zinc/62/49/64/924624964.db2.gz CARZJMYADNFBKV-GDBMZVCRSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600399 937067717 /nfs/dbraw/zinc/06/77/17/937067717.db2.gz DAMNIGAVRQVBMQ-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600399 937067720 /nfs/dbraw/zinc/06/77/20/937067720.db2.gz DAMNIGAVRQVBMQ-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785642 928631755 /nfs/dbraw/zinc/63/17/55/928631755.db2.gz KWIAPQVMKJZEGA-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364520 928637437 /nfs/dbraw/zinc/63/74/37/928637437.db2.gz WBLCMTYSZWHSSY-UHFFFAOYSA-N 1 3 253.390 1.143 20 30 CDEDHO C#CCN1CCC(C(=O)NCC23CCC[NH+]2CCC3)CC1 ZINC000798251384 937351654 /nfs/dbraw/zinc/35/16/54/937351654.db2.gz MAUARYVYIGKMOR-UHFFFAOYSA-N 1 3 289.423 1.076 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115337992 937352146 /nfs/dbraw/zinc/35/21/46/937352146.db2.gz BDSWHYJJAXCVJF-QLPKVWCKSA-N 1 3 291.439 1.485 20 30 CDEDHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000817915528 930629914 /nfs/dbraw/zinc/62/99/14/930629914.db2.gz NTGZETZLXKYWRC-JSGCOSHPSA-N 1 3 259.353 1.784 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171249001 932120031 /nfs/dbraw/zinc/12/00/31/932120031.db2.gz ZVKOXUJELGDTFX-HOCLYGCPSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001147657797 932569594 /nfs/dbraw/zinc/56/95/94/932569594.db2.gz CENBZQITSZEAAP-CQSZACIVSA-N 1 3 297.418 1.387 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001147657797 932569598 /nfs/dbraw/zinc/56/95/98/932569598.db2.gz CENBZQITSZEAAP-CQSZACIVSA-N 1 3 297.418 1.387 20 30 CDEDHO N#Cc1ccc(NCCN[C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000925892969 932950137 /nfs/dbraw/zinc/95/01/37/932950137.db2.gz ITXQETHWJZNDOF-KBPBESRZSA-N 1 3 273.384 1.472 20 30 CDEDHO N#Cc1ccc(NCC[NH2+][C@H]2CCCC[C@H]2CN)nc1 ZINC000925892969 932950139 /nfs/dbraw/zinc/95/01/39/932950139.db2.gz ITXQETHWJZNDOF-KBPBESRZSA-N 1 3 273.384 1.472 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112837 938455838 /nfs/dbraw/zinc/45/58/38/938455838.db2.gz APQREHFWXGVLPZ-CQSZACIVSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112837 938455837 /nfs/dbraw/zinc/45/58/37/938455837.db2.gz APQREHFWXGVLPZ-CQSZACIVSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158866949 938673581 /nfs/dbraw/zinc/67/35/81/938673581.db2.gz VBSLROMKBQTOHN-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158866949 938673582 /nfs/dbraw/zinc/67/35/82/938673582.db2.gz VBSLROMKBQTOHN-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165501881 939567859 /nfs/dbraw/zinc/56/78/59/939567859.db2.gz QRMLGPVAANDJQA-UHFFFAOYSA-N 1 3 291.439 1.370 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166750892 939635749 /nfs/dbraw/zinc/63/57/49/939635749.db2.gz LWPNAPWGTABITJ-UHFFFAOYSA-N 1 3 269.433 1.636 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640702 939699362 /nfs/dbraw/zinc/69/93/62/939699362.db2.gz HJIVEXONDAJDKO-UONOGXRCSA-N 1 3 279.428 1.531 20 30 CDEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204793301 939791399 /nfs/dbraw/zinc/79/13/99/939791399.db2.gz DWPADOGVRCTZKU-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206176230 939992409 /nfs/dbraw/zinc/99/24/09/939992409.db2.gz ICUDVAZVRKJSQL-OAHLLOKOSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928592 940113049 /nfs/dbraw/zinc/11/30/49/940113049.db2.gz AUTSZZBOQRANBO-UHFFFAOYSA-N 1 3 279.428 1.487 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208374497 940325942 /nfs/dbraw/zinc/32/59/42/940325942.db2.gz ZCYGRDPZQFFICG-CABCVRRESA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414102 940329611 /nfs/dbraw/zinc/32/96/11/940329611.db2.gz HVLZOLVEVQDIJL-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C[N@@H+]1CCC[C@@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611970 940352763 /nfs/dbraw/zinc/35/27/63/940352763.db2.gz YYZMHFJKRACNRG-YPMHNXCESA-N 1 3 266.410 1.602 20 30 CDEDHO C[N@H+]1CCC[C@@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611970 940352765 /nfs/dbraw/zinc/35/27/65/940352765.db2.gz YYZMHFJKRACNRG-YPMHNXCESA-N 1 3 266.410 1.602 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689051 940625772 /nfs/dbraw/zinc/62/57/72/940625772.db2.gz JBSPXEDGYQPCQO-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO CCCCCCCNC(=O)NCCCN(C)CCC[NH3+] ZINC001239231459 945352642 /nfs/dbraw/zinc/35/26/42/945352642.db2.gz NSFVNVQKSBTJCV-UHFFFAOYSA-N 1 3 286.464 1.927 20 30 CDEDHO Cc1cc(C#N)c(NC(=O)[C@@H](N)CCCC[NH+](C)C)s1 ZINC001218554576 941235631 /nfs/dbraw/zinc/23/56/31/941235631.db2.gz MKVPXAUVROFPRA-LBPRGKRZSA-N 1 3 294.424 1.926 20 30 CDEDHO C=C1C[NH2+][C@](C)(C(=O)Nc2cccc3c2CNC3)C1 ZINC001218993154 941298541 /nfs/dbraw/zinc/29/85/41/941298541.db2.gz KHAOCJRCNAGFNK-HNNXBMFYSA-N 1 3 257.337 1.537 20 30 CDEDHO CCc1cc(NC(=O)[C@@H](N)CCC[NH3+])cc(CC)c1C#N ZINC001219112514 941309866 /nfs/dbraw/zinc/30/98/66/941309866.db2.gz KEULZIVMCLEAHN-HNNXBMFYSA-N 1 3 288.395 1.688 20 30 CDEDHO C=CC[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001221361465 941521709 /nfs/dbraw/zinc/52/17/09/941521709.db2.gz UHDDPPDCXHFEGE-LSDHHAIUSA-N 1 3 285.391 1.229 20 30 CDEDHO C=CCOC(=O)N1CCC(CN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246464531 948189418 /nfs/dbraw/zinc/18/94/18/948189418.db2.gz HDYCVOZJHKKHGG-HIFRSBDPSA-N 1 3 295.427 1.751 20 30 CDEDHO C[NH+]1CCC(NCCOc2ccccc2C#N)CC1 ZINC001256199700 948229808 /nfs/dbraw/zinc/22/98/08/948229808.db2.gz GWTKKWREDPLIPU-UHFFFAOYSA-N 1 3 259.353 1.621 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001328203911 955224896 /nfs/dbraw/zinc/22/48/96/955224896.db2.gz KYZZTXBMBHGTRV-CABCVRRESA-N 1 3 294.443 1.114 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001340103620 962745123 /nfs/dbraw/zinc/74/51/23/962745123.db2.gz AOFPAFJUZRYMAF-UONOGXRCSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC001340103620 962745140 /nfs/dbraw/zinc/74/51/40/962745140.db2.gz AOFPAFJUZRYMAF-UONOGXRCSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001357363083 969574861 /nfs/dbraw/zinc/57/48/61/969574861.db2.gz VWOVGOGJTFSGCH-TZMCWYRMSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001357363083 969574864 /nfs/dbraw/zinc/57/48/64/969574864.db2.gz VWOVGOGJTFSGCH-TZMCWYRMSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001521434201 970297060 /nfs/dbraw/zinc/29/70/60/970297060.db2.gz XIJCKXQHIVMKAG-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001521434201 970297065 /nfs/dbraw/zinc/29/70/65/970297065.db2.gz XIJCKXQHIVMKAG-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001380406759 976410692 /nfs/dbraw/zinc/41/06/92/976410692.db2.gz XANKFKRNOAVRRO-UKRRQHHQSA-N 1 3 299.846 1.661 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248187 1163211054 /nfs/dbraw/zinc/21/10/54/1163211054.db2.gz CRBJARMAVIAXDZ-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001574852049 1171026160 /nfs/dbraw/zinc/02/61/60/1171026160.db2.gz OCCJWZYRQBDRNT-VXGBXAGGSA-N 1 3 273.808 1.399 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC001574852049 1171026166 /nfs/dbraw/zinc/02/61/66/1171026166.db2.gz OCCJWZYRQBDRNT-VXGBXAGGSA-N 1 3 273.808 1.399 20 30 CDEDHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000178899854 342532956 /nfs/dbraw/zinc/53/29/56/342532956.db2.gz HNQFMUMWUWFQLN-CYBMUJFWSA-N 1 3 275.400 1.929 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786526 342597025 /nfs/dbraw/zinc/59/70/25/342597025.db2.gz DBYHOWXXTOBPCU-CQSZACIVSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786526 342597026 /nfs/dbraw/zinc/59/70/26/342597026.db2.gz DBYHOWXXTOBPCU-CQSZACIVSA-N 1 3 281.444 1.729 20 30 CDEDHO C[NH+](C)CC[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594437093 342898256 /nfs/dbraw/zinc/89/82/56/342898256.db2.gz HWVIKNSRUIFAFH-KGLIPLIRSA-N 1 3 296.459 1.880 20 30 CDEDHO C[N@H+](C[C@H](O)CNCCc1ccc(C#N)cc1)C1CC1 ZINC000594718490 342948095 /nfs/dbraw/zinc/94/80/95/342948095.db2.gz QRQARYDBHNUJAK-MRXNPFEDSA-N 1 3 273.380 1.145 20 30 CDEDHO C[N@@H+](C[C@H](O)CNCCc1ccc(C#N)cc1)C1CC1 ZINC000594718490 342948097 /nfs/dbraw/zinc/94/80/97/342948097.db2.gz QRQARYDBHNUJAK-MRXNPFEDSA-N 1 3 273.380 1.145 20 30 CDEDHO CC#CCN1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007713 342308597 /nfs/dbraw/zinc/30/85/97/342308597.db2.gz IDAKZXWVTJOVRO-UHFFFAOYSA-N 1 3 252.402 1.833 20 30 CDEDHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](N)CCCC#N ZINC000596579785 343354053 /nfs/dbraw/zinc/35/40/53/343354053.db2.gz WSEAMMUZECYZJE-GFCCVEGCSA-N 1 3 268.405 1.244 20 30 CDEDHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](N)CCCC#N ZINC000596579785 343354055 /nfs/dbraw/zinc/35/40/55/343354055.db2.gz WSEAMMUZECYZJE-GFCCVEGCSA-N 1 3 268.405 1.244 20 30 CDEDHO CC1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598705153 343877359 /nfs/dbraw/zinc/87/73/59/343877359.db2.gz ZLJXBQWIIRSNGD-OAHLLOKOSA-N 1 3 281.444 1.999 20 30 CDEDHO CC1CC[NH+](CCCNC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598705153 343877360 /nfs/dbraw/zinc/87/73/60/343877360.db2.gz ZLJXBQWIIRSNGD-OAHLLOKOSA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=CCN(C)CC1 ZINC000598724035 343885205 /nfs/dbraw/zinc/88/52/05/343885205.db2.gz LGXYCVBHLWBYEJ-TZMCWYRMSA-N 1 3 265.401 1.527 20 30 CDEDHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C#N)CCc3ccccc3)C[C@H]21 ZINC000599991206 344160957 /nfs/dbraw/zinc/16/09/57/344160957.db2.gz DPGRJOXQSPXVJQ-NCOADZHNSA-N 1 3 297.402 1.777 20 30 CDEDHO N#C[C@@H]1CCC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000602020497 344316862 /nfs/dbraw/zinc/31/68/62/344316862.db2.gz KLPXSHDIXFLRMS-ZIAGYGMSSA-N 1 3 285.395 1.985 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+]CCCN1CCC(O)CC1 ZINC000602527706 344454795 /nfs/dbraw/zinc/45/47/95/344454795.db2.gz RSBWPFWZAAGUOU-ZDUSSCGKSA-N 1 3 253.390 1.363 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612878834 347311243 /nfs/dbraw/zinc/31/12/43/347311243.db2.gz OBBUQAXZULPBLY-OAHLLOKOSA-N 1 3 280.416 1.078 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000619672020 347722873 /nfs/dbraw/zinc/72/28/73/347722873.db2.gz NJMOOYCQWLHGPH-GJZGRUSLSA-N 1 3 264.417 1.296 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1F ZINC000264112050 362971161 /nfs/dbraw/zinc/97/11/61/362971161.db2.gz PAKIIOMXEYRIKM-CYBMUJFWSA-N 1 3 296.365 1.853 20 30 CDEDHO C[C@@H](CNC(=[NH2+])Nc1ccccn1)N1CCC[C@H](C)C1 ZINC000170913301 365162070 /nfs/dbraw/zinc/16/20/70/365162070.db2.gz LSRVCUFGSBPIMW-STQMWFEESA-N 1 3 275.400 1.929 20 30 CDEDHO CC[C@H](N)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423462980 374383125 /nfs/dbraw/zinc/38/31/25/374383125.db2.gz KZRBHPOKFPQGSZ-INIZCTEOSA-N 1 3 286.423 1.850 20 30 CDEDHO CC[C@H]([NH3+])CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423462980 374383129 /nfs/dbraw/zinc/38/31/29/374383129.db2.gz KZRBHPOKFPQGSZ-INIZCTEOSA-N 1 3 286.423 1.850 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)[NH2+]CC)CC1 ZINC000417543411 377929924 /nfs/dbraw/zinc/92/99/24/377929924.db2.gz UNRXJYMTESBXTO-CYBMUJFWSA-N 1 3 282.432 1.324 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000370844459 390589439 /nfs/dbraw/zinc/58/94/39/390589439.db2.gz VFLPWEOQKHFDPC-HNNXBMFYSA-N 1 3 265.401 1.143 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058382 391341068 /nfs/dbraw/zinc/34/10/68/391341068.db2.gz FOILLPQGPIWOAI-CABCVRRESA-N 1 3 294.443 1.346 20 30 CDEDHO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759128 263039800 /nfs/dbraw/zinc/03/98/00/263039800.db2.gz NUZQGEHWVZRQGK-KGLIPLIRSA-N 1 3 265.401 1.224 20 30 CDEDHO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759128 263039801 /nfs/dbraw/zinc/03/98/01/263039801.db2.gz NUZQGEHWVZRQGK-KGLIPLIRSA-N 1 3 265.401 1.224 20 30 CDEDHO CC1CCN(C(=[NH2+])NCCN2CCCCCC2)CC1 ZINC000303386740 267651886 /nfs/dbraw/zinc/65/18/86/267651886.db2.gz WOHQWWOOGHUVBK-UHFFFAOYSA-N 1 3 266.433 1.909 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)noc1C ZINC000267398077 328178144 /nfs/dbraw/zinc/17/81/44/328178144.db2.gz FIPRLGWLZDVXJF-ZDUSSCGKSA-N 1 3 293.415 1.223 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@H]1C ZINC000262195400 330001730 /nfs/dbraw/zinc/00/17/30/330001730.db2.gz RNIXKPJIVPIBJO-BFHYXJOUSA-N 1 3 266.433 1.811 20 30 CDEDHO CNC(NC[C@@H]1CCCN(C)[C@H]1c1cccs1)=[NH+]C ZINC000262617842 330023051 /nfs/dbraw/zinc/02/30/51/330023051.db2.gz BZCFNWZTKVUAIA-WCQYABFASA-N 1 3 280.441 1.926 20 30 CDEDHO C[C@H]1CCCN(C(=[NH2+])NCC2=CCN(C)CC2)C1 ZINC000263195124 330048646 /nfs/dbraw/zinc/04/86/46/330048646.db2.gz ZVWUHXYUXHRYIS-LBPRGKRZSA-N 1 3 250.390 1.295 20 30 CDEDHO CC1CC[NH+](CCCCNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424125959 330258907 /nfs/dbraw/zinc/25/89/07/330258907.db2.gz AYMZBFGBZKJUQI-HNNXBMFYSA-N 1 3 294.443 1.636 20 30 CDEDHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](N)CCCC#N ZINC000424132134 330264366 /nfs/dbraw/zinc/26/43/66/330264366.db2.gz KKLQZTVTPLXKCM-LSDHHAIUSA-N 1 3 294.443 1.778 20 30 CDEDHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](N)CCCC#N ZINC000424132134 330264368 /nfs/dbraw/zinc/26/43/68/330264368.db2.gz KKLQZTVTPLXKCM-LSDHHAIUSA-N 1 3 294.443 1.778 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000424136141 330272326 /nfs/dbraw/zinc/27/23/26/330272326.db2.gz ABSBAEZMJAMRQW-GJZGRUSLSA-N 1 3 292.427 1.484 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000424179779 330318682 /nfs/dbraw/zinc/31/86/82/330318682.db2.gz UKIAULWVLNFGJK-AWEZNQCLSA-N 1 3 280.416 1.375 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000490781174 332115580 /nfs/dbraw/zinc/11/55/80/332115580.db2.gz XWKSEONQBMZLPO-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C)CCCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000491625323 332249186 /nfs/dbraw/zinc/24/91/86/332249186.db2.gz KHWMHKBCOVVUQZ-UHFFFAOYSA-N 1 3 294.443 1.115 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001754920215 1159488275 /nfs/dbraw/zinc/48/82/75/1159488275.db2.gz XBDXLIPULUDOJC-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417519784 482593272 /nfs/dbraw/zinc/59/32/72/482593272.db2.gz AXZKPLYFSSBZIO-JSGCOSHPSA-N 1 3 280.416 1.206 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000963158276 612955695 /nfs/dbraw/zinc/95/56/95/612955695.db2.gz WPGWUNNQKCWIOM-YMAMQOFZSA-N 1 3 277.412 1.073 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600558 613338289 /nfs/dbraw/zinc/33/82/89/613338289.db2.gz NXZJKXMBJPYHNJ-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977600558 613338290 /nfs/dbraw/zinc/33/82/90/613338290.db2.gz NXZJKXMBJPYHNJ-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC000959846677 613345046 /nfs/dbraw/zinc/34/50/46/613345046.db2.gz GPMTYJRMNSNJQH-QXSJWSMHSA-N 1 3 291.439 1.482 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC000959846677 613345047 /nfs/dbraw/zinc/34/50/47/613345047.db2.gz GPMTYJRMNSNJQH-QXSJWSMHSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC000978234425 613834746 /nfs/dbraw/zinc/83/47/46/613834746.db2.gz SPQCCNQCLJUCRD-JONQDZQNSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC000978234425 613834747 /nfs/dbraw/zinc/83/47/47/613834747.db2.gz SPQCCNQCLJUCRD-JONQDZQNSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC000978234427 613835000 /nfs/dbraw/zinc/83/50/00/613835000.db2.gz SPQCCNQCLJUCRD-LVQVYYBASA-N 1 3 291.439 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC000978234427 613835001 /nfs/dbraw/zinc/83/50/01/613835001.db2.gz SPQCCNQCLJUCRD-LVQVYYBASA-N 1 3 291.439 1.341 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960171880 613839796 /nfs/dbraw/zinc/83/97/96/613839796.db2.gz CKWHEHZUULINOR-BARDWOONSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960171880 613839797 /nfs/dbraw/zinc/83/97/97/613839797.db2.gz CKWHEHZUULINOR-BARDWOONSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891520929 617459764 /nfs/dbraw/zinc/45/97/64/617459764.db2.gz BPVQTVYQPXONGM-HDJSIYSDSA-N 1 3 294.443 1.454 20 30 CDEDHO C[NH+]1CCC(CN2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000891558586 617477732 /nfs/dbraw/zinc/47/77/32/617477732.db2.gz QXMXGGVNGASFJV-UHFFFAOYSA-N 1 3 299.422 1.417 20 30 CDEDHO CC[C@@H](C(=O)NCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001133982524 1163996558 /nfs/dbraw/zinc/99/65/58/1163996558.db2.gz DSLQWSLXTLCCJB-HNNXBMFYSA-N 1 3 288.395 1.104 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870883061 1165227683 /nfs/dbraw/zinc/22/76/83/1165227683.db2.gz KZGOTHAKUZBBRJ-UHFFFAOYSA-N 1 3 265.401 1.143 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001752493775 1184871977 /nfs/dbraw/zinc/87/19/77/1184871977.db2.gz IXUFWVPPXDKXKP-CQSZACIVSA-N 1 3 276.384 1.321 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753877060 1185376060 /nfs/dbraw/zinc/37/60/60/1185376060.db2.gz YHDAYWIMRJCAHS-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753877060 1185376066 /nfs/dbraw/zinc/37/60/66/1185376066.db2.gz YHDAYWIMRJCAHS-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001755197061 1185851684 /nfs/dbraw/zinc/85/16/84/1185851684.db2.gz FMCBAOCTHWIWSV-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001755567588 1185993869 /nfs/dbraw/zinc/99/38/69/1185993869.db2.gz RNSAAEFRBMSCOU-GJZGRUSLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413975 1164920204 /nfs/dbraw/zinc/92/02/04/1164920204.db2.gz KFVRWLUMYZFFGL-FOLVSLTJSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413975 1164920210 /nfs/dbraw/zinc/92/02/10/1164920210.db2.gz KFVRWLUMYZFFGL-FOLVSLTJSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035797265 783635786 /nfs/dbraw/zinc/63/57/86/783635786.db2.gz HFYZJHPKMGAPPP-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035797265 783635804 /nfs/dbraw/zinc/63/58/04/783635804.db2.gz HFYZJHPKMGAPPP-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457448 783823765 /nfs/dbraw/zinc/82/37/65/783823765.db2.gz DKZDZTRIMSYLGR-QLFBSQMISA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457448 783823770 /nfs/dbraw/zinc/82/37/70/783823770.db2.gz DKZDZTRIMSYLGR-QLFBSQMISA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048862638 783985252 /nfs/dbraw/zinc/98/52/52/783985252.db2.gz AMFOSQSMWNBZCG-OKILXGFUSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048862638 783985266 /nfs/dbraw/zinc/98/52/66/783985266.db2.gz AMFOSQSMWNBZCG-OKILXGFUSA-N 1 3 277.412 1.047 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365878 784422816 /nfs/dbraw/zinc/42/28/16/784422816.db2.gz KZHQNAZJMDBSQQ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365878 784422842 /nfs/dbraw/zinc/42/28/42/784422842.db2.gz KZHQNAZJMDBSQQ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC000073437072 784744747 /nfs/dbraw/zinc/74/47/47/784744747.db2.gz WONUZBOHMWOESX-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C#C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000877513288 784855611 /nfs/dbraw/zinc/85/56/11/784855611.db2.gz QOCNOQUYHLXTJG-CQSZACIVSA-N 1 3 252.402 1.469 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510594 785089278 /nfs/dbraw/zinc/08/92/78/785089278.db2.gz RYLIKMQUDHDUAR-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009510594 785089290 /nfs/dbraw/zinc/08/92/90/785089290.db2.gz RYLIKMQUDHDUAR-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045544362 786466476 /nfs/dbraw/zinc/46/64/76/786466476.db2.gz DTNHQBVJMMQLBI-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023372000 787086756 /nfs/dbraw/zinc/08/67/56/787086756.db2.gz KPBVWWXJBHUCIW-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023372000 787086764 /nfs/dbraw/zinc/08/67/64/787086764.db2.gz KPBVWWXJBHUCIW-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC)[C@@H]2C)CC1 ZINC000994500936 787873677 /nfs/dbraw/zinc/87/36/77/787873677.db2.gz RVLPBQQPJZEQDG-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC)[C@@H]2C)CC1 ZINC000994500936 787873686 /nfs/dbraw/zinc/87/36/86/787873686.db2.gz RVLPBQQPJZEQDG-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO CC[NH+]1CCC(NCCNc2ccc(C#N)cn2)CC1 ZINC000927170024 788165359 /nfs/dbraw/zinc/16/53/59/788165359.db2.gz WHFKLRNIWDGAHY-UHFFFAOYSA-N 1 3 273.384 1.439 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045554189 788165677 /nfs/dbraw/zinc/16/56/77/788165677.db2.gz PNNDSFYFYWWMQJ-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045554189 788165685 /nfs/dbraw/zinc/16/56/85/788165685.db2.gz PNNDSFYFYWWMQJ-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001000190764 788371502 /nfs/dbraw/zinc/37/15/02/788371502.db2.gz HOGNPBDXXOQQTN-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986352520 789005425 /nfs/dbraw/zinc/00/54/25/789005425.db2.gz HJJGZLFVKONQBD-DZGCQCFKSA-N 1 3 279.428 1.626 20 30 CDEDHO N#Cc1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000872146845 789067226 /nfs/dbraw/zinc/06/72/26/789067226.db2.gz ZALZWANHZWEFMM-AWEZNQCLSA-N 1 3 285.395 1.075 20 30 CDEDHO C[NH+](C)CCCC1CCN(C[C@H](O)CC#N)CC1 ZINC000809576934 789314828 /nfs/dbraw/zinc/31/48/28/789314828.db2.gz SZYSIZQBVIHSDZ-CQSZACIVSA-N 1 3 253.390 1.315 20 30 CDEDHO CCCCOCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303901000 789308682 /nfs/dbraw/zinc/30/86/82/789308682.db2.gz XAUOTXLBJDLFFP-CYBMUJFWSA-N 1 3 270.421 1.192 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059267 789312829 /nfs/dbraw/zinc/31/28/29/789312829.db2.gz PCPQXJFAFCVXBA-HRCADAONSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059267 789312840 /nfs/dbraw/zinc/31/28/40/789312840.db2.gz PCPQXJFAFCVXBA-HRCADAONSA-N 1 3 291.439 1.295 20 30 CDEDHO C[C@H](C#N)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849003923 789515508 /nfs/dbraw/zinc/51/55/08/789515508.db2.gz OIHISGJZHZHNFT-CQSZACIVSA-N 1 3 299.422 1.925 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000876766682 789698339 /nfs/dbraw/zinc/69/83/39/789698339.db2.gz PWDCQXHHGKEXEN-OLZOCXBDSA-N 1 3 287.835 1.837 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000876766682 789698355 /nfs/dbraw/zinc/69/83/55/789698355.db2.gz PWDCQXHHGKEXEN-OLZOCXBDSA-N 1 3 287.835 1.837 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001020801464 789788054 /nfs/dbraw/zinc/78/80/54/789788054.db2.gz DPFNNESZERIIBO-HDJSIYSDSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC000996137845 789806428 /nfs/dbraw/zinc/80/64/28/789806428.db2.gz SHMSVGRAQKTHHS-CQSZACIVSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCCC)CC1 ZINC001567240197 1168636383 /nfs/dbraw/zinc/63/63/83/1168636383.db2.gz GFBSISDPWZOQCW-HNNXBMFYSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001121944394 913277279 /nfs/dbraw/zinc/27/72/79/913277279.db2.gz QTHWDNNWSUJNMU-NEPJUHHUSA-N 1 3 253.390 1.174 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175314783 913535758 /nfs/dbraw/zinc/53/57/58/913535758.db2.gz BOKQWAXSHZDKEW-GJZGRUSLSA-N 1 3 281.444 1.615 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255575 913733387 /nfs/dbraw/zinc/73/33/87/913733387.db2.gz YHXBIRUKXLPPLK-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397505423 895117675 /nfs/dbraw/zinc/11/76/75/895117675.db2.gz CTIHEZLSKIEBEJ-UHFFFAOYSA-N 1 3 258.365 1.236 20 30 CDEDHO C=CC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001266596480 895500673 /nfs/dbraw/zinc/50/06/73/895500673.db2.gz GJMZOSMXXYKGTN-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001266596480 895500681 /nfs/dbraw/zinc/50/06/81/895500681.db2.gz GJMZOSMXXYKGTN-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176991783 914419944 /nfs/dbraw/zinc/41/99/44/914419944.db2.gz DQMQRQURKRFLBL-OAHLLOKOSA-N 1 3 297.443 1.159 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693719 900743671 /nfs/dbraw/zinc/74/36/71/900743671.db2.gz HTHMYZHHIUHGDQ-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693719 900743676 /nfs/dbraw/zinc/74/36/76/900743676.db2.gz HTHMYZHHIUHGDQ-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391156 921454713 /nfs/dbraw/zinc/45/47/13/921454713.db2.gz WNGMEHRRHPEADB-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391156 921454716 /nfs/dbraw/zinc/45/47/16/921454716.db2.gz WNGMEHRRHPEADB-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182751267 918091589 /nfs/dbraw/zinc/09/15/89/918091589.db2.gz XIGLCQRARCDWLU-CZUORRHYSA-N 1 3 288.395 1.050 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578195 919196912 /nfs/dbraw/zinc/19/69/12/919196912.db2.gz SGHQJDJJXTYNLJ-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185335164 919555615 /nfs/dbraw/zinc/55/56/15/919555615.db2.gz APMXXWPJOHRGJX-GJZGRUSLSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185535213 919664773 /nfs/dbraw/zinc/66/47/73/919664773.db2.gz BXNKDDMLPVLMNN-CABCVRRESA-N 1 3 279.428 1.036 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071995846 936695918 /nfs/dbraw/zinc/69/59/18/936695918.db2.gz NZWQZCPVKZDSAK-LSDHHAIUSA-N 1 3 291.439 1.627 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190774882 922189431 /nfs/dbraw/zinc/18/94/31/922189431.db2.gz AEJBVXANUJCVKQ-CABCVRRESA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190774882 922189434 /nfs/dbraw/zinc/18/94/34/922189434.db2.gz AEJBVXANUJCVKQ-CABCVRRESA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001191030527 922359855 /nfs/dbraw/zinc/35/98/55/922359855.db2.gz URXSWUXOGJSUHZ-CQSZACIVSA-N 1 3 279.428 1.273 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001191030527 922359871 /nfs/dbraw/zinc/35/98/71/922359871.db2.gz URXSWUXOGJSUHZ-CQSZACIVSA-N 1 3 279.428 1.273 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207698 922541554 /nfs/dbraw/zinc/54/15/54/922541554.db2.gz NQXUYLHFTATWAS-JKSUJKDBSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039175 924027294 /nfs/dbraw/zinc/02/72/94/924027294.db2.gz LDCQOMDBVLPEGR-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039175 924027303 /nfs/dbraw/zinc/02/73/03/924027303.db2.gz LDCQOMDBVLPEGR-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092678 925647769 /nfs/dbraw/zinc/64/77/69/925647769.db2.gz LPTGUZBIFZSTNQ-ILXRZTDVSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092678 925647776 /nfs/dbraw/zinc/64/77/76/925647776.db2.gz LPTGUZBIFZSTNQ-ILXRZTDVSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070763 937039987 /nfs/dbraw/zinc/03/99/87/937039987.db2.gz RQQLCEVGRGCAPW-KFWWJZLASA-N 1 3 281.444 1.443 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070763 937039990 /nfs/dbraw/zinc/03/99/90/937039990.db2.gz RQQLCEVGRGCAPW-KFWWJZLASA-N 1 3 281.444 1.443 20 30 CDEDHO C=CCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160182 937273639 /nfs/dbraw/zinc/27/36/39/937273639.db2.gz WXQATQHEMKYBKX-GHMZBOCLSA-N 1 3 293.333 1.103 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152459112 937361709 /nfs/dbraw/zinc/36/17/09/937361709.db2.gz YWRVRGJBWYNOGS-CQSZACIVSA-N 1 3 267.417 1.533 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134606984 929813747 /nfs/dbraw/zinc/81/37/47/929813747.db2.gz CFASDGXBKHMMLL-ZIAGYGMSSA-N 1 3 279.428 1.367 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152459139 937363828 /nfs/dbraw/zinc/36/38/28/937363828.db2.gz ZPFDCVSZGSEUHY-AWEZNQCLSA-N 1 3 267.417 1.533 20 30 CDEDHO C#CC[C@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000883124223 930145576 /nfs/dbraw/zinc/14/55/76/930145576.db2.gz ARVASPMVGMDSKY-GOSISDBHSA-N 1 3 286.419 1.667 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979646 930578392 /nfs/dbraw/zinc/57/83/92/930578392.db2.gz IBWNOWCJOWXAPG-UONOGXRCSA-N 1 3 269.433 1.777 20 30 CDEDHO C[NH+]=C(NCC(C)(C)N1CCCCC1)NC1CC1 ZINC000103337578 931295268 /nfs/dbraw/zinc/29/52/68/931295268.db2.gz CWSSLHJYWYYFMU-UHFFFAOYSA-N 1 3 252.406 1.578 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148626065 932764218 /nfs/dbraw/zinc/76/42/18/932764218.db2.gz WDYJSUSLDFHEQS-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155877906 937684806 /nfs/dbraw/zinc/68/48/06/937684806.db2.gz MQYFKBMWXDGBKQ-MRXNPFEDSA-N 1 3 295.471 1.958 20 30 CDEDHO C#CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCCCCC ZINC001155877906 937684808 /nfs/dbraw/zinc/68/48/08/937684808.db2.gz MQYFKBMWXDGBKQ-MRXNPFEDSA-N 1 3 295.471 1.958 20 30 CDEDHO C[C@H](CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N(C)C ZINC001120580488 937813310 /nfs/dbraw/zinc/81/33/10/937813310.db2.gz AYGUQNXAQNZWQC-HIFRSBDPSA-N 1 3 291.395 1.228 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001121911264 937889489 /nfs/dbraw/zinc/88/94/89/937889489.db2.gz RUXDEMQTMIWYBA-GJZGRUSLSA-N 1 3 281.444 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001121995432 937897725 /nfs/dbraw/zinc/89/77/25/937897725.db2.gz UMGGQKFLPMABGE-XUXIUFHCSA-N 1 3 267.417 1.502 20 30 CDEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106881 937906031 /nfs/dbraw/zinc/90/60/31/937906031.db2.gz UDQIBMSDEUTSJS-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001122153594 937909379 /nfs/dbraw/zinc/90/93/79/937909379.db2.gz GFHKEBLZFKCQIC-GJZGRUSLSA-N 1 3 295.427 1.040 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157977809 938570385 /nfs/dbraw/zinc/57/03/85/938570385.db2.gz JUXTWRJSIASLNU-BZUAXINKSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157977809 938570386 /nfs/dbraw/zinc/57/03/86/938570386.db2.gz JUXTWRJSIASLNU-BZUAXINKSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490721 939893476 /nfs/dbraw/zinc/89/34/76/939893476.db2.gz VCPDISDVFTXRKN-INIZCTEOSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334516 940320716 /nfs/dbraw/zinc/32/07/16/940320716.db2.gz JGLOZLAYYBMQTI-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209474133 940594760 /nfs/dbraw/zinc/59/47/60/940594760.db2.gz FLCYKNOWQCYBDV-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211287049 940745111 /nfs/dbraw/zinc/74/51/11/940745111.db2.gz YURYCCJHXYLXRI-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO N#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001220095343 941411888 /nfs/dbraw/zinc/41/18/88/941411888.db2.gz WGDRCDYASGJLIT-IHRRRGAJSA-N 1 3 290.411 1.059 20 30 CDEDHO N#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001220095343 941411891 /nfs/dbraw/zinc/41/18/91/941411891.db2.gz WGDRCDYASGJLIT-IHRRRGAJSA-N 1 3 290.411 1.059 20 30 CDEDHO CC(C)C[C@@H](C#N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220702787 941464744 /nfs/dbraw/zinc/46/47/44/941464744.db2.gz JQSOOZDTEXGVAA-KBPBESRZSA-N 1 3 282.432 1.536 20 30 CDEDHO CCCCCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520334 941607271 /nfs/dbraw/zinc/60/72/71/941607271.db2.gz FYUVSGFUSHDKQE-KRWDZBQOSA-N 1 3 293.455 1.758 20 30 CDEDHO CCCCCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520334 941607274 /nfs/dbraw/zinc/60/72/74/941607274.db2.gz FYUVSGFUSHDKQE-KRWDZBQOSA-N 1 3 293.455 1.758 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225582908 941884879 /nfs/dbraw/zinc/88/48/79/941884879.db2.gz VDUHFJNQEMVRFP-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001227987386 942252190 /nfs/dbraw/zinc/25/21/90/942252190.db2.gz ZAPOKYGTWOOZJH-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254664250 947580249 /nfs/dbraw/zinc/58/02/49/947580249.db2.gz GSKIDTZCDHEWQV-KBPBESRZSA-N 1 3 281.400 1.495 20 30 CDEDHO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254664250 947580254 /nfs/dbraw/zinc/58/02/54/947580254.db2.gz GSKIDTZCDHEWQV-KBPBESRZSA-N 1 3 281.400 1.495 20 30 CDEDHO C=CCOC(=O)N1CCC(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246464532 948189084 /nfs/dbraw/zinc/18/90/84/948189084.db2.gz HDYCVOZJHKKHGG-UKRRQHHQSA-N 1 3 295.427 1.751 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCNCC1)CC2 ZINC001246735545 948424559 /nfs/dbraw/zinc/42/45/59/948424559.db2.gz UHHACYWNFGHYKK-KRWDZBQOSA-N 1 3 291.439 1.772 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCNCC1)CC2 ZINC001246735545 948424563 /nfs/dbraw/zinc/42/45/63/948424563.db2.gz UHHACYWNFGHYKK-KRWDZBQOSA-N 1 3 291.439 1.772 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCCN(C1CC[NH2+]CC1)CC2 ZINC001246735545 948424570 /nfs/dbraw/zinc/42/45/70/948424570.db2.gz UHHACYWNFGHYKK-KRWDZBQOSA-N 1 3 291.439 1.772 20 30 CDEDHO C#CC1([NH2+]C[C@@H](O)CN(CC)CC)CCCCC1 ZINC001253215668 951815413 /nfs/dbraw/zinc/81/54/13/951815413.db2.gz YSVCWKHJZBOZFA-CQSZACIVSA-N 1 3 252.402 1.615 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC001340296351 962870927 /nfs/dbraw/zinc/87/09/27/962870927.db2.gz HUSDPAAGETWKSV-HZPDHXFCSA-N 1 3 287.407 1.673 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001341435035 963412750 /nfs/dbraw/zinc/41/27/50/963412750.db2.gz QLENKDBGNLIXRU-MBNYWOFBSA-N 1 3 251.374 1.010 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001341715293 963520291 /nfs/dbraw/zinc/52/02/91/963520291.db2.gz TYLYFNHZNOGFSM-LSDHHAIUSA-N 1 3 279.428 1.614 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100674054 968925306 /nfs/dbraw/zinc/92/53/06/968925306.db2.gz KXNIPUFJOFILRD-HSBZDZAISA-N 1 3 265.401 1.141 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001378582383 975403861 /nfs/dbraw/zinc/40/38/61/975403861.db2.gz TZPAEKDJAXFENC-CMPLNLGQSA-N 1 3 275.824 1.421 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001391939537 977156320 /nfs/dbraw/zinc/15/63/20/977156320.db2.gz TZPAEKDJAXFENC-JQWIXIFHSA-N 1 3 275.824 1.421 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410295 1163277377 /nfs/dbraw/zinc/27/73/77/1163277377.db2.gz LHJDVCDISJJKNR-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410295 1163277380 /nfs/dbraw/zinc/27/73/80/1163277380.db2.gz LHJDVCDISJJKNR-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000592340140 342685863 /nfs/dbraw/zinc/68/58/63/342685863.db2.gz UZQQNJGWGXIRQV-UHFFFAOYSA-N 1 3 282.432 1.278 20 30 CDEDHO C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCC[NH3+] ZINC000595257880 343013216 /nfs/dbraw/zinc/01/32/16/343013216.db2.gz AVXDWBSCWSUOQP-MGPQQGTHSA-N 1 3 280.416 1.374 20 30 CDEDHO CCN1CCN(CCC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602594101 344482098 /nfs/dbraw/zinc/48/20/98/344482098.db2.gz RONXOVULVJIZID-HNNXBMFYSA-N 1 3 266.433 1.543 20 30 CDEDHO CCN(CC)C(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264096822 362965979 /nfs/dbraw/zinc/96/59/79/362965979.db2.gz MWNTTXTZDAYMJP-UHFFFAOYSA-N 1 3 262.401 1.905 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1sccc1C ZINC000264106084 362968318 /nfs/dbraw/zinc/96/83/18/362968318.db2.gz NVAOXXBCAZXYHQ-GFCCVEGCSA-N 1 3 280.441 1.945 20 30 CDEDHO C=C(C)CN1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629561698 363007839 /nfs/dbraw/zinc/00/78/39/363007839.db2.gz XPMLGFKCOZDDNN-INIZCTEOSA-N 1 3 281.444 1.073 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000277496698 359562142 /nfs/dbraw/zinc/56/21/42/359562142.db2.gz OLPVJWVPVJKEMC-CABCVRRESA-N 1 3 281.444 1.929 20 30 CDEDHO C=CCOCCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000348039198 359790865 /nfs/dbraw/zinc/79/08/65/359790865.db2.gz TUHAKCIIAHNBKN-UHFFFAOYSA-N 1 3 283.460 1.537 20 30 CDEDHO C=CCOCCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000348039198 359790868 /nfs/dbraw/zinc/79/08/68/359790868.db2.gz TUHAKCIIAHNBKN-UHFFFAOYSA-N 1 3 283.460 1.537 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001001002712 784344935 /nfs/dbraw/zinc/34/49/35/784344935.db2.gz OXQIARNRGRGHEH-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO CN(CCCSCC#N)CC[N@H+](C)C1CCN(C)CC1 ZINC000119718763 390640178 /nfs/dbraw/zinc/64/01/78/390640178.db2.gz VFMQRYZBPWVTOT-UHFFFAOYSA-N 1 3 298.500 1.591 20 30 CDEDHO CN(CCCSCC#N)CC[N@@H+](C)C1CCN(C)CC1 ZINC000119718763 390640181 /nfs/dbraw/zinc/64/01/81/390640181.db2.gz VFMQRYZBPWVTOT-UHFFFAOYSA-N 1 3 298.500 1.591 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237973137 390895921 /nfs/dbraw/zinc/89/59/21/390895921.db2.gz DJDPYDQHVVAPEE-QWHCGFSZSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000339059536 391248394 /nfs/dbraw/zinc/24/83/94/391248394.db2.gz LRCVJRJTCPPLCN-HOTGVXAUSA-N 1 3 281.444 1.147 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000649297198 391925181 /nfs/dbraw/zinc/92/51/81/391925181.db2.gz UVERJOQOWOYLJG-XUWVNRHRSA-N 1 3 291.439 1.267 20 30 CDEDHO C=CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660574248 413252254 /nfs/dbraw/zinc/25/22/54/413252254.db2.gz OFOMPCKVXJGZNF-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCC[C@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659462 413349800 /nfs/dbraw/zinc/34/98/00/413349800.db2.gz PPHWVHLXGLEJHY-GJZGRUSLSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659462 413349808 /nfs/dbraw/zinc/34/98/08/413349808.db2.gz PPHWVHLXGLEJHY-GJZGRUSLSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662720583 413378522 /nfs/dbraw/zinc/37/85/22/413378522.db2.gz AZQUVYSQLKNHIG-CYBMUJFWSA-N 1 3 265.401 1.141 20 30 CDEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000280821571 263064621 /nfs/dbraw/zinc/06/46/21/263064621.db2.gz NHALNKXPGBZOTC-WFASDCNBSA-N 1 3 284.363 1.307 20 30 CDEDHO CNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284056357 263085539 /nfs/dbraw/zinc/08/55/39/263085539.db2.gz PSLBSZJPNXLTQS-UHFFFAOYSA-N 1 3 276.384 1.194 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000356999372 266228623 /nfs/dbraw/zinc/22/86/23/266228623.db2.gz BPUHODCCTXOJHU-CABCVRRESA-N 1 3 294.443 1.553 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000356999372 266228626 /nfs/dbraw/zinc/22/86/26/266228626.db2.gz BPUHODCCTXOJHU-CABCVRRESA-N 1 3 294.443 1.553 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000236669356 277849491 /nfs/dbraw/zinc/84/94/91/277849491.db2.gz ZZEXFEMZGXEPJL-DOTOQJQBSA-N 1 3 293.455 1.801 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCC[C@@H]1O ZINC000262430830 330010261 /nfs/dbraw/zinc/01/02/61/330010261.db2.gz OIIDFVLGJFDGNM-IJEWVQPXSA-N 1 3 296.459 1.316 20 30 CDEDHO CN(C)C1(CNC2=[NH+]CCN2C)CCCCCC1 ZINC000262661114 330025120 /nfs/dbraw/zinc/02/51/20/330025120.db2.gz MYIBWXVUBVVMNX-UHFFFAOYSA-N 1 3 252.406 1.532 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C1CCC1 ZINC000263011945 330038713 /nfs/dbraw/zinc/03/87/13/330038713.db2.gz CDHBUEIPLIPVOH-HZSPNIEDSA-N 1 3 264.417 1.564 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000263065521 330041759 /nfs/dbraw/zinc/04/17/59/330041759.db2.gz GCSISKKBKIGNLC-YIYPIFLZSA-N 1 3 282.432 1.189 20 30 CDEDHO C=C(C)CN1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422981197 330162420 /nfs/dbraw/zinc/16/24/20/330162420.db2.gz SFKRWVABJAXOFQ-UKRRQHHQSA-N 1 3 251.418 1.757 20 30 CDEDHO C=CC[C@H](CO)CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423014523 330165533 /nfs/dbraw/zinc/16/55/33/330165533.db2.gz INKBBMKFSAULPX-CWRNSKLLSA-N 1 3 262.397 1.719 20 30 CDEDHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCC#N ZINC000424127600 330259492 /nfs/dbraw/zinc/25/94/92/330259492.db2.gz BDWQNAJUICINQT-KGLIPLIRSA-N 1 3 280.416 1.388 20 30 CDEDHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCC#N ZINC000424127600 330259493 /nfs/dbraw/zinc/25/94/93/330259493.db2.gz BDWQNAJUICINQT-KGLIPLIRSA-N 1 3 280.416 1.388 20 30 CDEDHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424131696 330263867 /nfs/dbraw/zinc/26/38/67/330263867.db2.gz JPXLNDJCAFFKCO-HUUCEWRRSA-N 1 3 294.443 1.636 20 30 CDEDHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424131696 330263868 /nfs/dbraw/zinc/26/38/68/330263868.db2.gz JPXLNDJCAFFKCO-HUUCEWRRSA-N 1 3 294.443 1.636 20 30 CDEDHO CC1CC[NH+](CCCNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424144741 330290117 /nfs/dbraw/zinc/29/01/17/330290117.db2.gz XYYKXBVYOGPBOB-CQSZACIVSA-N 1 3 280.416 1.246 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000424153430 330299980 /nfs/dbraw/zinc/29/99/80/330299980.db2.gz IGDMPAPRHUFWDS-OAHLLOKOSA-N 1 3 288.395 1.385 20 30 CDEDHO C#CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000490574046 332092292 /nfs/dbraw/zinc/09/22/92/332092292.db2.gz ACUXAXYFZFEETC-UHFFFAOYSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000491789036 332351177 /nfs/dbraw/zinc/35/11/77/332351177.db2.gz YFOFGAMNNGVCMF-OAHLLOKOSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000491789036 332351179 /nfs/dbraw/zinc/35/11/79/332351179.db2.gz YFOFGAMNNGVCMF-OAHLLOKOSA-N 1 3 294.443 1.115 20 30 CDEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001271953456 1160383248 /nfs/dbraw/zinc/38/32/48/1160383248.db2.gz FWSPEZYNHRKCQP-UHFFFAOYSA-N 1 3 277.412 1.193 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)CC1 ZINC000669465243 483173142 /nfs/dbraw/zinc/17/31/42/483173142.db2.gz DGRGJIQKJSGHGU-HIFRSBDPSA-N 1 3 294.443 1.406 20 30 CDEDHO C=CCN1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667729471 483405581 /nfs/dbraw/zinc/40/55/81/483405581.db2.gz IKRSQIHFKKUUGU-UHFFFAOYSA-N 1 3 288.395 1.917 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000764585830 575923522 /nfs/dbraw/zinc/92/35/22/575923522.db2.gz VYDMJQUYGJFIOW-OAHLLOKOSA-N 1 3 279.428 1.439 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC)CC[C@@H]2C)CC1 ZINC000968682829 613131130 /nfs/dbraw/zinc/13/11/30/613131130.db2.gz VLDLMJKBBQWWGJ-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC)CC[C@@H]2C)CC1 ZINC000968682829 613131131 /nfs/dbraw/zinc/13/11/31/613131131.db2.gz VLDLMJKBBQWWGJ-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775349 613161264 /nfs/dbraw/zinc/16/12/64/613161264.db2.gz GMSHGURNJHMNGI-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775349 613161267 /nfs/dbraw/zinc/16/12/67/613161267.db2.gz GMSHGURNJHMNGI-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943333899 613258768 /nfs/dbraw/zinc/25/87/68/613258768.db2.gz KQDNPDLEMYCYBH-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 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CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766207 790670383 /nfs/dbraw/zinc/67/03/83/790670383.db2.gz CMWDKCXUHOPLDQ-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766207 790670407 /nfs/dbraw/zinc/67/04/07/790670407.db2.gz CMWDKCXUHOPLDQ-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000876723314 790889313 /nfs/dbraw/zinc/88/93/13/790889313.db2.gz SQXYWKIEUCTWSD-LBPRGKRZSA-N 1 3 273.808 1.304 20 30 CDEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000849045495 790972132 /nfs/dbraw/zinc/97/21/32/790972132.db2.gz KSLNWLPZTJWRBA-HZPDHXFCSA-N 1 3 284.407 1.959 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)SC ZINC000305183873 791036057 /nfs/dbraw/zinc/03/60/57/791036057.db2.gz DBTDTWONIPRVOZ-WDEREUQCSA-N 1 3 258.435 1.127 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054664954 790067275 /nfs/dbraw/zinc/06/72/75/790067275.db2.gz 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C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001028334244 791756820 /nfs/dbraw/zinc/75/68/20/791756820.db2.gz YXDWPEROEOXFRZ-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041139477 791802375 /nfs/dbraw/zinc/80/23/75/791802375.db2.gz GZZULNQMZBTYOY-WBVHZDCISA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041139477 791802376 /nfs/dbraw/zinc/80/23/76/791802376.db2.gz GZZULNQMZBTYOY-WBVHZDCISA-N 1 3 289.423 1.028 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582765 791812320 /nfs/dbraw/zinc/81/23/20/791812320.db2.gz QMEOWEMTAIARLD-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582765 791812323 /nfs/dbraw/zinc/81/23/23/791812323.db2.gz QMEOWEMTAIARLD-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000303908297 791833084 /nfs/dbraw/zinc/83/30/84/791833084.db2.gz XLDXHNMTGHILFW-UONOGXRCSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001074877751 791906794 /nfs/dbraw/zinc/90/67/94/791906794.db2.gz KIPINWLOFOXZKF-IHRRRGAJSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041355863 792014181 /nfs/dbraw/zinc/01/41/81/792014181.db2.gz RQMJGVVMGWCAJL-MRXNPFEDSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041355863 792014190 /nfs/dbraw/zinc/01/41/90/792014190.db2.gz RQMJGVVMGWCAJL-MRXNPFEDSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001026560847 792812496 /nfs/dbraw/zinc/81/24/96/792812496.db2.gz GXCCUPNKOQLULU-NFOMZHRRSA-N 1 3 277.412 1.121 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCCCC1 ZINC000187039495 793356416 /nfs/dbraw/zinc/35/64/16/793356416.db2.gz RXCCUGCAUJOJNO-AWEZNQCLSA-N 1 3 296.459 1.724 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005993112 793505939 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C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074562787 793946895 /nfs/dbraw/zinc/94/68/95/793946895.db2.gz HTEOWHGQRSTUKT-IHRRRGAJSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072826195 794043951 /nfs/dbraw/zinc/04/39/51/794043951.db2.gz MDAHUSMBHYPWNF-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072826195 794043961 /nfs/dbraw/zinc/04/39/61/794043961.db2.gz MDAHUSMBHYPWNF-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999350657 794345361 /nfs/dbraw/zinc/34/53/61/794345361.db2.gz ZZDUHLXKBWYXML-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071997341 794381672 /nfs/dbraw/zinc/38/16/72/794381672.db2.gz YQPQDUVDRYHZGE-HUUCEWRRSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449530 794484966 /nfs/dbraw/zinc/48/49/66/794484966.db2.gz IPDVYJKDCYNVJA-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828919 794718189 /nfs/dbraw/zinc/71/81/89/794718189.db2.gz JRHZJHLIOKUWKS-HUUCEWRRSA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576461 794950197 /nfs/dbraw/zinc/95/01/97/794950197.db2.gz PIQMPJWKMSQVEO-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576461 794950199 /nfs/dbraw/zinc/95/01/99/794950199.db2.gz PIQMPJWKMSQVEO-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CC)CC2)CC1 ZINC001026609917 795040726 /nfs/dbraw/zinc/04/07/26/795040726.db2.gz ZEGBYSNYVXUDHI-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015502784 795829493 /nfs/dbraw/zinc/82/94/93/795829493.db2.gz HJIQZEGNGGMPCJ-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015502784 795829494 /nfs/dbraw/zinc/82/94/94/795829494.db2.gz HJIQZEGNGGMPCJ-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052716883 796021051 /nfs/dbraw/zinc/02/10/51/796021051.db2.gz QFPGZZISAJGKBT-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052716883 796021058 /nfs/dbraw/zinc/02/10/58/796021058.db2.gz QFPGZZISAJGKBT-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCOC1CCC([NH+](CCN(C)C)CCN(C)C)CC1 ZINC001173320947 912420786 /nfs/dbraw/zinc/42/07/86/912420786.db2.gz ULFNBTIUXHFFRU-UHFFFAOYSA-N 1 3 297.487 1.925 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209659432 894802870 /nfs/dbraw/zinc/80/28/70/894802870.db2.gz DGUWQIYUHMDVAP-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167237211 894933714 /nfs/dbraw/zinc/93/37/14/894933714.db2.gz XEIYZHRQHFPNSW-UHFFFAOYSA-N 1 3 293.455 1.780 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064509 899838862 /nfs/dbraw/zinc/83/88/62/899838862.db2.gz SIRGUTYQGOPMKF-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088327276 906902745 /nfs/dbraw/zinc/90/27/45/906902745.db2.gz JKITWJSGAMTTRO-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168135659 907355991 /nfs/dbraw/zinc/35/59/91/907355991.db2.gz BAIPBZFPKZPLCO-CYBMUJFWSA-N 1 3 299.846 1.567 20 30 CDEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168135659 907355971 /nfs/dbraw/zinc/35/59/71/907355971.db2.gz BAIPBZFPKZPLCO-CYBMUJFWSA-N 1 3 299.846 1.567 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817426 909615159 /nfs/dbraw/zinc/61/51/59/909615159.db2.gz PNAXPMWYUSAZLA-FZKCQIBNSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817426 909615169 /nfs/dbraw/zinc/61/51/69/909615169.db2.gz PNAXPMWYUSAZLA-FZKCQIBNSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172122445 911314617 /nfs/dbraw/zinc/31/46/17/911314617.db2.gz QQRMBOWVDXUUAV-ZSHCYNCHSA-N 1 3 263.429 1.805 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538864 915880873 /nfs/dbraw/zinc/88/08/73/915880873.db2.gz JJPZAGXPEJDUPN-PMPSAXMXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181983824 917524982 /nfs/dbraw/zinc/52/49/82/917524982.db2.gz SOEQRLORDXRYQK-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181983824 917524995 /nfs/dbraw/zinc/52/49/95/917524995.db2.gz SOEQRLORDXRYQK-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184557203 919192225 /nfs/dbraw/zinc/19/22/25/919192225.db2.gz UCWAIAFUOKQRMP-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001486247964 920838881 /nfs/dbraw/zinc/83/88/81/920838881.db2.gz QGDRDEYXRFUQFG-KBPBESRZSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190899111 922284949 /nfs/dbraw/zinc/28/49/49/922284949.db2.gz HQDUIIPYWYOXEC-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190899111 922284961 /nfs/dbraw/zinc/28/49/61/922284961.db2.gz HQDUIIPYWYOXEC-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@](F)(C[NH3+])CC2)nc1 ZINC001205571028 922761660 /nfs/dbraw/zinc/76/16/60/922761660.db2.gz RSPXTRGJIOVVHB-CQSZACIVSA-N 1 3 262.332 1.606 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354208 923028929 /nfs/dbraw/zinc/02/89/29/923028929.db2.gz JLQOORCIUWLAPD-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354208 923028944 /nfs/dbraw/zinc/02/89/44/923028944.db2.gz JLQOORCIUWLAPD-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354209 923030490 /nfs/dbraw/zinc/03/04/90/923030490.db2.gz JLQOORCIUWLAPD-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354209 923030506 /nfs/dbraw/zinc/03/05/06/923030506.db2.gz JLQOORCIUWLAPD-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100920791 936945529 /nfs/dbraw/zinc/94/55/29/936945529.db2.gz AQKNPMRDPDTRFX-UHFFFAOYSA-N 1 3 290.411 1.711 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475486 937058839 /nfs/dbraw/zinc/05/88/39/937058839.db2.gz QQAQIGGIWDVSSY-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475486 937058843 /nfs/dbraw/zinc/05/88/43/937058843.db2.gz QQAQIGGIWDVSSY-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001142924079 937094516 /nfs/dbraw/zinc/09/45/16/937094516.db2.gz ZFFRGNIFGILLJI-HNNXBMFYSA-N 1 3 279.428 1.629 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134606981 929815274 /nfs/dbraw/zinc/81/52/74/929815274.db2.gz CFASDGXBKHMMLL-KBPBESRZSA-N 1 3 279.428 1.367 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCF)CC1 ZINC001146614553 932271828 /nfs/dbraw/zinc/27/18/28/932271828.db2.gz YJEMASAPZPSSTI-ZIAGYGMSSA-N 1 3 297.418 1.174 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC)CC1 ZINC001146608957 932271958 /nfs/dbraw/zinc/27/19/58/932271958.db2.gz BKYBGEQBRYWVLN-KBPBESRZSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN(C)CCC ZINC001148638725 932769228 /nfs/dbraw/zinc/76/92/28/932769228.db2.gz OXJXJMHVJUHSQL-ZDUSSCGKSA-N 1 3 255.406 1.389 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)CC1CC[NH2+]CC1 ZINC001122567595 937942256 /nfs/dbraw/zinc/94/22/56/937942256.db2.gz UZGPPIJSHMDTRY-CYBMUJFWSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158922830 938678619 /nfs/dbraw/zinc/67/86/19/938678619.db2.gz IYCRWTNQMJDZKD-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158922830 938678621 /nfs/dbraw/zinc/67/86/21/938678621.db2.gz IYCRWTNQMJDZKD-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426044 938786185 /nfs/dbraw/zinc/78/61/85/938786185.db2.gz CNQADKKAOTTYFQ-ZDUSSCGKSA-N 1 3 255.406 1.245 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634912 939621165 /nfs/dbraw/zinc/62/11/65/939621165.db2.gz YHIMFEYWOOIPHL-LBPRGKRZSA-N 1 3 273.808 1.319 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837638 940645197 /nfs/dbraw/zinc/64/51/97/940645197.db2.gz QJBYBXFPZAWFAB-KGLIPLIRSA-N 1 3 290.411 1.888 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611055 940833061 /nfs/dbraw/zinc/83/30/61/940833061.db2.gz MQLAFTAGKVZHQB-OAGGEKHMSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551524 940892858 /nfs/dbraw/zinc/89/28/58/940892858.db2.gz UCTNPHVJIWYGJH-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH+]1CCC(CNC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001223374965 941673988 /nfs/dbraw/zinc/67/39/88/941673988.db2.gz WORKJCNKEHYXFR-OAHLLOKOSA-N 1 3 297.418 1.128 20 30 CDEDHO C#CCN1CCC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001225541991 941876873 /nfs/dbraw/zinc/87/68/73/941876873.db2.gz FTFWITCGXDKLQF-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226922103 942094628 /nfs/dbraw/zinc/09/46/28/942094628.db2.gz MFYIENOTSXERLB-OAGGEKHMSA-N 1 3 293.455 1.613 20 30 CDEDHO C#Cc1cccc(-c2cn(CCCC[NH2+]CCCN)nn2)c1 ZINC001254163591 947317332 /nfs/dbraw/zinc/31/73/32/947317332.db2.gz SGRWPSYVTPFVNC-UHFFFAOYSA-N 1 3 297.406 1.645 20 30 CDEDHO N#Cc1cccc(-c2cn(CCCC[NH2+]CCCN)nn2)c1 ZINC001254163660 947317861 /nfs/dbraw/zinc/31/78/61/947317861.db2.gz VKTIWXIMYAHTQS-UHFFFAOYSA-N 1 3 298.394 1.535 20 30 CDEDHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001320022377 958875069 /nfs/dbraw/zinc/87/50/69/958875069.db2.gz VULMZJZJSPWSRN-CYBMUJFWSA-N 1 3 255.406 1.293 20 30 CDEDHO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001320022377 958875083 /nfs/dbraw/zinc/87/50/83/958875083.db2.gz VULMZJZJSPWSRN-CYBMUJFWSA-N 1 3 255.406 1.293 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001340296943 962867697 /nfs/dbraw/zinc/86/76/97/962867697.db2.gz LHFSWCAENJPISG-CHWSQXEVSA-N 1 3 253.390 1.400 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001341715292 963520627 /nfs/dbraw/zinc/52/06/27/963520627.db2.gz TYLYFNHZNOGFSM-HUUCEWRRSA-N 1 3 279.428 1.614 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100383409 968183616 /nfs/dbraw/zinc/18/36/16/968183616.db2.gz ZUXIZIYEJJIPOE-UYSNPLJNSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617274 968803106 /nfs/dbraw/zinc/80/31/06/968803106.db2.gz MENNPTVLOFXMOW-UHFFFAOYSA-N 1 3 299.846 1.565 20 30 CDEDHO CN(CC(=O)N(CCC#N)CCC[NH+](C)C)C1CCC1 ZINC000600826247 342251827 /nfs/dbraw/zinc/25/18/27/342251827.db2.gz YBMNIDAFYWSCAT-UHFFFAOYSA-N 1 3 280.416 1.165 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595959999 343196384 /nfs/dbraw/zinc/19/63/84/343196384.db2.gz RMWXKYQXOPVZKK-BFHYXJOUSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000595959999 343196385 /nfs/dbraw/zinc/19/63/85/343196385.db2.gz RMWXKYQXOPVZKK-BFHYXJOUSA-N 1 3 278.400 1.141 20 30 CDEDHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000595936201 343201853 /nfs/dbraw/zinc/20/18/53/343201853.db2.gz NWZUDCHCWGIGHA-QWHCGFSZSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000595936201 343201856 /nfs/dbraw/zinc/20/18/56/343201856.db2.gz NWZUDCHCWGIGHA-QWHCGFSZSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CN1CCCCC1 ZINC000598721132 343883645 /nfs/dbraw/zinc/88/36/45/343883645.db2.gz SQGCEYKYFVFIIM-HUUCEWRRSA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@H](CNC[C@H](O)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000598721132 343883647 /nfs/dbraw/zinc/88/36/47/343883647.db2.gz SQGCEYKYFVFIIM-HUUCEWRRSA-N 1 3 281.444 1.999 20 30 CDEDHO C[NH+](C)CC1(CNC[C@H](O)CC(C)(C)C#N)CCCC1 ZINC000598722822 343884637 /nfs/dbraw/zinc/88/46/37/343884637.db2.gz BKCUPJPJZCAMDF-CQSZACIVSA-N 1 3 281.444 1.999 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000598724406 343885263 /nfs/dbraw/zinc/88/52/63/343885263.db2.gz OSEAEGZUCORVJB-CQSZACIVSA-N 1 3 281.444 1.999 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000598724406 343885266 /nfs/dbraw/zinc/88/52/66/343885266.db2.gz OSEAEGZUCORVJB-CQSZACIVSA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000602800706 344590886 /nfs/dbraw/zinc/59/08/86/344590886.db2.gz RVJRWXZLTLTWPZ-CVEARBPZSA-N 1 3 290.455 1.638 20 30 CDEDHO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000602800706 344590887 /nfs/dbraw/zinc/59/08/87/344590887.db2.gz RVJRWXZLTLTWPZ-CVEARBPZSA-N 1 3 290.455 1.638 20 30 CDEDHO CC(C#N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000530809698 356766295 /nfs/dbraw/zinc/76/62/95/356766295.db2.gz UAKRWUBDMASAIM-SOUVJXGZSA-N 1 3 292.427 1.163 20 30 CDEDHO CC(C#N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000530809698 356766297 /nfs/dbraw/zinc/76/62/97/356766297.db2.gz UAKRWUBDMASAIM-SOUVJXGZSA-N 1 3 292.427 1.163 20 30 CDEDHO C#C[C@](C)(CC)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000328597261 359071309 /nfs/dbraw/zinc/07/13/09/359071309.db2.gz GHEUEAINMLFRGE-MRXNPFEDSA-N 1 3 265.445 1.794 20 30 CDEDHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000349923049 360963626 /nfs/dbraw/zinc/96/36/26/360963626.db2.gz UXPJZRXSCHYFPP-OLZOCXBDSA-N 1 3 267.373 1.105 20 30 CDEDHO C[NH+]=C(NCc1cccc(OCCN(C)C)c1)NC1CC1 ZINC000103338012 390476408 /nfs/dbraw/zinc/47/64/08/390476408.db2.gz TXBWGDOIRDOEAU-UHFFFAOYSA-N 1 3 290.411 1.454 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000237594338 390857556 /nfs/dbraw/zinc/85/75/56/390857556.db2.gz GCFKKOMZBQDVJE-CQSZACIVSA-N 1 3 293.455 1.779 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000417070771 391340753 /nfs/dbraw/zinc/34/07/53/391340753.db2.gz VTALLLWYZZQXPY-CQSZACIVSA-N 1 3 296.459 1.722 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[NH2+]C)C(C)C ZINC000285784103 391720557 /nfs/dbraw/zinc/72/05/57/391720557.db2.gz NSMWBITVUDJYCW-AWEZNQCLSA-N 1 3 267.417 1.411 20 30 CDEDHO CC(C)N(C)Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262636453 391804790 /nfs/dbraw/zinc/80/47/90/391804790.db2.gz GZFPWKKZCXJLEI-UHFFFAOYSA-N 1 3 274.412 1.918 20 30 CDEDHO C=CCN(CCOCC[NH3+])Cc1ccc(OC)cc1 ZINC000357100488 266248811 /nfs/dbraw/zinc/24/88/11/266248811.db2.gz FZYKKJIAZLHSDB-UHFFFAOYSA-N 1 3 264.369 1.659 20 30 CDEDHO CN1CC[N@H+](CCCNCCC#N)[C@@H](c2ccccc2)C1 ZINC000569228791 327057901 /nfs/dbraw/zinc/05/79/01/327057901.db2.gz HRDQEFRCUZVRGW-QGZVFWFLSA-N 1 3 286.423 1.868 20 30 CDEDHO CN1CC[N@@H+](CCCNCCC#N)[C@@H](c2ccccc2)C1 ZINC000569228791 327057902 /nfs/dbraw/zinc/05/79/02/327057902.db2.gz HRDQEFRCUZVRGW-QGZVFWFLSA-N 1 3 286.423 1.868 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC[NH+](CC)CC)CC1 ZINC000171696025 329078455 /nfs/dbraw/zinc/07/84/55/329078455.db2.gz WWWLJBKSDPXXPW-UHFFFAOYSA-N 1 3 296.459 1.668 20 30 CDEDHO CCCN1CCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000262194720 330001608 /nfs/dbraw/zinc/00/16/08/330001608.db2.gz ZFKKLQAWIFERRI-ZDUSSCGKSA-N 1 3 252.406 1.708 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC2(N(C)C)CCCCCC2)N1 ZINC000262672421 330025999 /nfs/dbraw/zinc/02/59/99/330025999.db2.gz RRPGFNFXSRQSBU-GFCCVEGCSA-N 1 3 252.406 1.578 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC)C12CCC2 ZINC000263176766 330047457 /nfs/dbraw/zinc/04/74/57/330047457.db2.gz SUVLUXQHTPOZDZ-HZSPNIEDSA-N 1 3 294.443 1.333 20 30 CDEDHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424170536 330310748 /nfs/dbraw/zinc/31/07/48/330310748.db2.gz BHLKGXQFSXPNNQ-OCCSQVGLSA-N 1 3 280.416 1.196 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000575733599 335110220 /nfs/dbraw/zinc/11/02/20/335110220.db2.gz GWTCEOLNJPAJOK-AWEZNQCLSA-N 1 3 294.443 1.407 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCN(CC)C[C@H]2C)CC1 ZINC000177907240 333065548 /nfs/dbraw/zinc/06/55/48/333065548.db2.gz YEFCDBLZKVVCDS-ZBFHGGJFSA-N 1 3 265.445 1.957 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000669385690 482763635 /nfs/dbraw/zinc/76/36/35/482763635.db2.gz FGVMLVPSLHQFMT-UONOGXRCSA-N 1 3 282.432 1.331 20 30 CDEDHO C=CCN1CC[C@]2(CCC[N@H+]2CC(C)(C)CN(C)C)C1=O ZINC001272870622 1161425062 /nfs/dbraw/zinc/42/50/62/1161425062.db2.gz RQBVSPDKHAIUCZ-QGZVFWFLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CC[C@]2(CCC[N@@H+]2CC(C)(C)CN(C)C)C1=O ZINC001272870622 1161425067 /nfs/dbraw/zinc/42/50/67/1161425067.db2.gz RQBVSPDKHAIUCZ-QGZVFWFLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353669138 527423325 /nfs/dbraw/zinc/42/33/25/527423325.db2.gz BPNVJWQFGZGPHW-OAHLLOKOSA-N 1 3 281.444 1.923 20 30 CDEDHO CC[NH+](CC)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000344797546 528093781 /nfs/dbraw/zinc/09/37/81/528093781.db2.gz WVBTXNMUIJPKEX-GFCCVEGCSA-N 1 3 251.374 1.726 20 30 CDEDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C#N)s2)CC1 ZINC000268415114 535165114 /nfs/dbraw/zinc/16/51/14/535165114.db2.gz JJOAHRPPDXYKCM-UHFFFAOYSA-N 1 3 293.436 1.945 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256120 613224061 /nfs/dbraw/zinc/22/40/61/613224061.db2.gz CXFULVBHZRKSBS-HUUCEWRRSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972336544 613288856 /nfs/dbraw/zinc/28/88/56/613288856.db2.gz YCNJRGXZKYVOAJ-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972336544 613288857 /nfs/dbraw/zinc/28/88/57/613288857.db2.gz YCNJRGXZKYVOAJ-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000961775516 613562771 /nfs/dbraw/zinc/56/27/71/613562771.db2.gz VBYUHABZZYVHIX-TTZDDIAXSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000961775516 613562772 /nfs/dbraw/zinc/56/27/72/613562772.db2.gz VBYUHABZZYVHIX-TTZDDIAXSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154960 613617880 /nfs/dbraw/zinc/61/78/80/613617880.db2.gz RFJPIXRRSZYOOC-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972154960 613617883 /nfs/dbraw/zinc/61/78/83/613617883.db2.gz RFJPIXRRSZYOOC-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971554097 613632161 /nfs/dbraw/zinc/63/21/61/613632161.db2.gz YMZMTWHXTGKHQT-LSDHHAIUSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962181982 613837031 /nfs/dbraw/zinc/83/70/31/613837031.db2.gz WLSRGKSEDNIFEG-ZSHCYNCHSA-N 1 3 291.439 1.339 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])NCC1CCC1)N1CCCC1 ZINC000104166883 617978545 /nfs/dbraw/zinc/97/85/45/617978545.db2.gz WLAVRZGMGFDPSM-ZDUSSCGKSA-N 1 3 252.406 1.565 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080781175 1161567996 /nfs/dbraw/zinc/56/79/96/1161567996.db2.gz QLCWJXMRSUBVBL-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080781175 1161568001 /nfs/dbraw/zinc/56/80/01/1161568001.db2.gz QLCWJXMRSUBVBL-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCOCCN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277400 1163225167 /nfs/dbraw/zinc/22/51/67/1163225167.db2.gz GRYAERREPOCHIJ-CABCVRRESA-N 1 3 297.443 1.110 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132884628 1163499571 /nfs/dbraw/zinc/49/95/71/1163499571.db2.gz STYMRUKROWVZKU-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133191780 1163602471 /nfs/dbraw/zinc/60/24/71/1163602471.db2.gz SYNIGQBPNTVZSX-CABCVRRESA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001725271518 1181946913 /nfs/dbraw/zinc/94/69/13/1181946913.db2.gz QGDLUALIIXKESQ-ZFWWWQNUSA-N 1 3 281.444 1.585 20 30 CDEDHO C[NH+]=C(NC[C@H]1CCOC1)NCC1(N(C)C)CCCCC1 ZINC000262692055 1182223464 /nfs/dbraw/zinc/22/34/64/1182223464.db2.gz CKPGWJRGDLSGLM-CQSZACIVSA-N 1 3 296.459 1.452 20 30 CDEDHO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001752460753 1184866173 /nfs/dbraw/zinc/86/61/73/1184866173.db2.gz RRGHBPPJKGZIFI-HOTGVXAUSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001752901435 1184957531 /nfs/dbraw/zinc/95/75/31/1184957531.db2.gz QLCGVWLJZMLWGR-IUODEOHRSA-N 1 3 285.407 1.479 20 30 CDEDHO C#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001753474575 1185226750 /nfs/dbraw/zinc/22/67/50/1185226750.db2.gz ZJDBSSKSOXVQPE-CQSZACIVSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CC[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001753508179 1185241116 /nfs/dbraw/zinc/24/11/16/1185241116.db2.gz YXCLMVLQYQTXJX-CQSZACIVSA-N 1 3 279.428 1.533 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001754611875 1185684327 /nfs/dbraw/zinc/68/43/27/1185684327.db2.gz VWIRIDGUPNPGAQ-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001754619884 1185687314 /nfs/dbraw/zinc/68/73/14/1185687314.db2.gz INHNITKLKIVYTK-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001754956054 1185769915 /nfs/dbraw/zinc/76/99/15/1185769915.db2.gz AJWVPTVPNXJXBJ-JYJNAYRXSA-N 1 3 291.439 1.226 20 30 CDEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001755379596 1185935259 /nfs/dbraw/zinc/93/52/59/1185935259.db2.gz QEDCQOYTNDJVQB-CYBMUJFWSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001000190767 796476205 /nfs/dbraw/zinc/47/62/05/796476205.db2.gz HOGNPBDXXOQQTN-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014454186 796498251 /nfs/dbraw/zinc/49/82/51/796498251.db2.gz HEEPZKHMHPWPTE-LSDHHAIUSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001033127563 796690025 /nfs/dbraw/zinc/69/00/25/796690025.db2.gz VUYBHTHSCCJJNT-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001033127563 796690027 /nfs/dbraw/zinc/69/00/27/796690027.db2.gz VUYBHTHSCCJJNT-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035668479 797591057 /nfs/dbraw/zinc/59/10/57/797591057.db2.gz GXVAAQPKRJVXHH-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001000222165 797849525 /nfs/dbraw/zinc/84/95/25/797849525.db2.gz CCNSUJOPLNECTN-OLZOCXBDSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995805155 798031445 /nfs/dbraw/zinc/03/14/45/798031445.db2.gz SVPIEWGIQOSZIA-HUUCEWRRSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980564 912431518 /nfs/dbraw/zinc/43/15/18/912431518.db2.gz LNQXKHWZVHQIAQ-MCIONIFRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980564 912431530 /nfs/dbraw/zinc/43/15/30/912431530.db2.gz LNQXKHWZVHQIAQ-MCIONIFRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106674460 914125664 /nfs/dbraw/zinc/12/56/64/914125664.db2.gz VTBFYGRLKPQSIE-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769400 899352053 /nfs/dbraw/zinc/35/20/53/899352053.db2.gz IJYSMGDGLNNNJL-UHFFFAOYSA-N 1 3 287.835 1.565 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027419481 900487264 /nfs/dbraw/zinc/48/72/64/900487264.db2.gz RARCEDFSNYZZSZ-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027419481 900487269 /nfs/dbraw/zinc/48/72/69/900487269.db2.gz RARCEDFSNYZZSZ-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891698 900949380 /nfs/dbraw/zinc/94/93/80/900949380.db2.gz FXQXCRMDEDNSNK-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027891698 900949387 /nfs/dbraw/zinc/94/93/87/900949387.db2.gz FXQXCRMDEDNSNK-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NCC1CCC1)N1CCCC[C@H]1C ZINC000261964234 904621360 /nfs/dbraw/zinc/62/13/60/904621360.db2.gz AOUTZNQXBHBODM-OLZOCXBDSA-N 1 3 266.433 1.954 20 30 CDEDHO C=CCN1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003421077 921306965 /nfs/dbraw/zinc/30/69/65/921306965.db2.gz ZSBQBSGKCYHQCC-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987521689 907735922 /nfs/dbraw/zinc/73/59/22/907735922.db2.gz CZOKBPFQFPJESR-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CCCC[NH+](C)C ZINC001171575919 910838478 /nfs/dbraw/zinc/83/84/78/910838478.db2.gz KTICTSSOGMHCEU-UHFFFAOYSA-N 1 3 275.824 1.567 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538367 915880695 /nfs/dbraw/zinc/88/06/95/915880695.db2.gz BBKCVPOHLHHPOR-ILXRZTDVSA-N 1 3 279.428 1.483 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000303896214 935046563 /nfs/dbraw/zinc/04/65/63/935046563.db2.gz PVEQIJYYJYEUCZ-YNEHKIRRSA-N 1 3 270.421 1.189 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847344 936183917 /nfs/dbraw/zinc/18/39/17/936183917.db2.gz VNYOTCRQAKWZOQ-LSDHHAIUSA-N 1 3 289.423 1.334 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042240 917895609 /nfs/dbraw/zinc/89/56/09/917895609.db2.gz CBOSALXAZCCATN-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC000996315662 918242326 /nfs/dbraw/zinc/24/23/26/918242326.db2.gz RUFHBCOHDZRKAY-KBPBESRZSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526879 936584374 /nfs/dbraw/zinc/58/43/74/936584374.db2.gz MFWMQHZCRYYSSZ-OAHLLOKOSA-N 1 3 289.423 1.219 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185548419 919649575 /nfs/dbraw/zinc/64/95/75/919649575.db2.gz MNRZMNNGWZVQBX-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999374644 919744771 /nfs/dbraw/zinc/74/47/71/919744771.db2.gz RSSNOUWPZZGYPX-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185750965 919754586 /nfs/dbraw/zinc/75/45/86/919754586.db2.gz NDJYDHXZVXVQEO-HOTGVXAUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001486247967 920839035 /nfs/dbraw/zinc/83/90/35/920839035.db2.gz QGDRDEYXRFUQFG-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320939 922157090 /nfs/dbraw/zinc/15/70/90/922157090.db2.gz XUAVZYVXHCHGIR-HNNXBMFYSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190789554 922198437 /nfs/dbraw/zinc/19/84/37/922198437.db2.gz RYNBINPTBQHSGN-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190789554 922198450 /nfs/dbraw/zinc/19/84/50/922198450.db2.gz RYNBINPTBQHSGN-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385900 922382319 /nfs/dbraw/zinc/38/23/19/922382319.db2.gz ZEFFDRKAPMZRJX-MRXNPFEDSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385900 922382334 /nfs/dbraw/zinc/38/23/34/922382334.db2.gz ZEFFDRKAPMZRJX-MRXNPFEDSA-N 1 3 293.455 1.968 20 30 CDEDHO CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001080054180 924475459 /nfs/dbraw/zinc/47/54/59/924475459.db2.gz QLVYWHFKADJNMT-CZUORRHYSA-N 1 3 296.374 1.408 20 30 CDEDHO CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080054180 924475465 /nfs/dbraw/zinc/47/54/65/924475465.db2.gz QLVYWHFKADJNMT-CZUORRHYSA-N 1 3 296.374 1.408 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102086261 937041156 /nfs/dbraw/zinc/04/11/56/937041156.db2.gz WSJJRCBKNBSVEJ-MGPQQGTHSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102086261 937041158 /nfs/dbraw/zinc/04/11/58/937041158.db2.gz WSJJRCBKNBSVEJ-MGPQQGTHSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202503032 929134364 /nfs/dbraw/zinc/13/43/64/929134364.db2.gz IQEYBDQOMQQDMT-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO CN(C)/C=N/c1ccc(N(C)C(C)(C)C[NH3+])cc1C#N ZINC001170059725 929245251 /nfs/dbraw/zinc/24/52/51/929245251.db2.gz UKGSYOUJCNWNDA-WOJGMQOQSA-N 1 3 273.384 1.953 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001152148471 937338751 /nfs/dbraw/zinc/33/87/51/937338751.db2.gz QELHMQFGJWMNKN-CHWSQXEVSA-N 1 3 253.390 1.141 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134763438 929889256 /nfs/dbraw/zinc/88/92/56/929889256.db2.gz YOETZBUCOLPQDZ-AWEZNQCLSA-N 1 3 267.417 1.531 20 30 CDEDHO N#Cc1cc(C(F)(F)N[C@@H](N)CCC[NH3+])cnc1Cl ZINC001159783421 930842212 /nfs/dbraw/zinc/84/22/12/930842212.db2.gz CWCVMSRZJYWPOF-SECBINFHSA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636121 932767535 /nfs/dbraw/zinc/76/75/35/932767535.db2.gz SWXLWGMOVIGBNL-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932141171 933671092 /nfs/dbraw/zinc/67/10/92/933671092.db2.gz SOJDRSDQESHYQI-OAHLLOKOSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932141171 933671095 /nfs/dbraw/zinc/67/10/95/933671095.db2.gz SOJDRSDQESHYQI-OAHLLOKOSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120208231 937786445 /nfs/dbraw/zinc/78/64/45/937786445.db2.gz WNZMLQSUZXRSJB-UHFFFAOYSA-N 1 3 279.428 1.369 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1CCCCO1 ZINC000305817387 935218920 /nfs/dbraw/zinc/21/89/20/935218920.db2.gz AJUIANXZCCCRHN-UONOGXRCSA-N 1 3 282.432 1.334 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015391724 935566866 /nfs/dbraw/zinc/56/68/66/935566866.db2.gz KCCZQBVCBXCIQP-JKSUJKDBSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015391724 935566869 /nfs/dbraw/zinc/56/68/69/935566869.db2.gz KCCZQBVCBXCIQP-JKSUJKDBSA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001019820562 935718456 /nfs/dbraw/zinc/71/84/56/935718456.db2.gz PGNIHNNVKIOJTM-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039469890 935775820 /nfs/dbraw/zinc/77/58/20/935775820.db2.gz LVTPSMGPLZOSIG-XHSDSOJGSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039469890 935775821 /nfs/dbraw/zinc/77/58/21/935775821.db2.gz LVTPSMGPLZOSIG-XHSDSOJGSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044630459 935866929 /nfs/dbraw/zinc/86/69/29/935866929.db2.gz WLOSMURDJQTCPM-UONOGXRCSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046318332 935941171 /nfs/dbraw/zinc/94/11/71/935941171.db2.gz KLONBJGKLHLLME-WBVHZDCISA-N 1 3 291.439 1.485 20 30 CDEDHO CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121288657 937865158 /nfs/dbraw/zinc/86/51/58/937865158.db2.gz IARIEHQPNMOWFV-UKEPKTAJSA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158195786 938593235 /nfs/dbraw/zinc/59/32/35/938593235.db2.gz DTETYHKKLNSONU-ZDUSSCGKSA-N 1 3 285.819 1.177 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160267062 938778401 /nfs/dbraw/zinc/77/84/01/938778401.db2.gz JUZGRXOEGHCFCB-CYBMUJFWSA-N 1 3 287.835 1.709 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160267062 938778402 /nfs/dbraw/zinc/77/84/02/938778402.db2.gz JUZGRXOEGHCFCB-CYBMUJFWSA-N 1 3 287.835 1.709 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101615 938871468 /nfs/dbraw/zinc/87/14/68/938871468.db2.gz HCGKLJODZBVDDO-UHFFFAOYSA-N 1 3 289.423 1.100 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161650490 938916988 /nfs/dbraw/zinc/91/69/88/938916988.db2.gz FRAYTDVZIYGFPX-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161650490 938916990 /nfs/dbraw/zinc/91/69/90/938916990.db2.gz FRAYTDVZIYGFPX-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO CN(C)/C=N/c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1C#N ZINC001163204233 939225650 /nfs/dbraw/zinc/22/56/50/939225650.db2.gz YDZUXYTYUUGVMY-KNTPFCCGSA-N 1 3 299.378 1.322 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275512 940010417 /nfs/dbraw/zinc/01/04/17/940010417.db2.gz UXOJBWKQZSTXFV-CQSZACIVSA-N 1 3 279.428 1.342 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209641258 940621924 /nfs/dbraw/zinc/62/19/24/940621924.db2.gz HVHTTZQYEZOCOY-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210811406 940714892 /nfs/dbraw/zinc/71/48/92/940714892.db2.gz NOGKDFQBACFJFS-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211257003 940742443 /nfs/dbraw/zinc/74/24/43/940742443.db2.gz OAFMBFCYGQLYIG-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214905123 940844456 /nfs/dbraw/zinc/84/44/56/940844456.db2.gz ZIXTWPXATZSJOJ-OAGGEKHMSA-N 1 3 295.471 1.975 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001224583256 941773529 /nfs/dbraw/zinc/77/35/29/941773529.db2.gz OBBRVKXMWXZZBD-AWEZNQCLSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228434723 942316054 /nfs/dbraw/zinc/31/60/54/942316054.db2.gz FBGUIYQUXATVNI-RBSFLKMASA-N 1 3 279.428 1.223 20 30 CDEDHO C=CCOCCN1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229909020 942552363 /nfs/dbraw/zinc/55/23/63/942552363.db2.gz RJWBSJIYGHEMGA-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCOCCN1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229909020 942552367 /nfs/dbraw/zinc/55/23/67/942552367.db2.gz RJWBSJIYGHEMGA-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001316617388 942661161 /nfs/dbraw/zinc/66/11/61/942661161.db2.gz HFOPNDPGFJOWAI-QLFBSQMISA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235513251 944182729 /nfs/dbraw/zinc/18/27/29/944182729.db2.gz LWORUANNLHQCHM-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235513251 944182733 /nfs/dbraw/zinc/18/27/33/944182733.db2.gz LWORUANNLHQCHM-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001245985640 947879772 /nfs/dbraw/zinc/87/97/72/947879772.db2.gz RVXFUQIWLSOLMN-TWMKSMIVSA-N 1 3 296.455 1.698 20 30 CDEDHO C=CCCCCCC[C@@H](O)CN[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245985640 947879776 /nfs/dbraw/zinc/87/97/76/947879776.db2.gz RVXFUQIWLSOLMN-TWMKSMIVSA-N 1 3 296.455 1.698 20 30 CDEDHO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246466592 948188103 /nfs/dbraw/zinc/18/81/03/948188103.db2.gz PIKUSOGXNDXEOU-HIFRSBDPSA-N 1 3 295.427 1.751 20 30 CDEDHO C=C[C@@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253578285 951966943 /nfs/dbraw/zinc/96/69/43/951966943.db2.gz YHPOANSNZKTJRL-BRWVUGGUSA-N 1 3 294.439 1.214 20 30 CDEDHO C=C[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253578285 951966951 /nfs/dbraw/zinc/96/69/51/951966951.db2.gz YHPOANSNZKTJRL-BRWVUGGUSA-N 1 3 294.439 1.214 20 30 CDEDHO C=C[C@@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253578450 951968297 /nfs/dbraw/zinc/96/82/97/951968297.db2.gz BGKKWUUHHWSIIM-IXDOHACOSA-N 1 3 272.392 1.597 20 30 CDEDHO C=C[C@@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253578450 951968300 /nfs/dbraw/zinc/96/83/00/951968300.db2.gz BGKKWUUHHWSIIM-IXDOHACOSA-N 1 3 272.392 1.597 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001343407763 963971964 /nfs/dbraw/zinc/97/19/64/963971964.db2.gz LEINDFMNDKNFRG-LSDHHAIUSA-N 1 3 281.444 1.907 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824403 967309090 /nfs/dbraw/zinc/30/90/90/967309090.db2.gz FSLHDHKUZXPNRR-HOCLYGCPSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001824403 967309101 /nfs/dbraw/zinc/30/91/01/967309101.db2.gz FSLHDHKUZXPNRR-HOCLYGCPSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248184 1163210387 /nfs/dbraw/zinc/21/03/87/1163210387.db2.gz CRBJARMAVIAXDZ-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000591667755 342641142 /nfs/dbraw/zinc/64/11/42/342641142.db2.gz VSHTWKZZPCNQFO-JKSUJKDBSA-N 1 3 293.455 1.753 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000591667755 342641143 /nfs/dbraw/zinc/64/11/43/342641143.db2.gz VSHTWKZZPCNQFO-JKSUJKDBSA-N 1 3 293.455 1.753 20 30 CDEDHO C#CCN(C)CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000491620991 347584788 /nfs/dbraw/zinc/58/47/88/347584788.db2.gz GKGVIEJNQUJZFD-UHFFFAOYSA-N 1 3 293.455 1.712 20 30 CDEDHO C#CCN(C)CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000491620991 347584794 /nfs/dbraw/zinc/58/47/94/347584794.db2.gz GKGVIEJNQUJZFD-UHFFFAOYSA-N 1 3 293.455 1.712 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1 ZINC000264124087 362973330 /nfs/dbraw/zinc/97/33/30/362973330.db2.gz RTVOXXUVSQJZAT-AWEZNQCLSA-N 1 3 278.375 1.714 20 30 CDEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)C(C)C ZINC000262091375 359134464 /nfs/dbraw/zinc/13/44/64/359134464.db2.gz GKIJKYCJWTUPFC-STQMWFEESA-N 1 3 250.390 1.033 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000358295383 367580397 /nfs/dbraw/zinc/58/03/97/367580397.db2.gz DSEHQTMHXNQLPI-CQSZACIVSA-N 1 3 296.459 1.666 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000358816106 367906901 /nfs/dbraw/zinc/90/69/01/367906901.db2.gz RLJUWNAZPGOOPB-CYBMUJFWSA-N 1 3 282.432 1.276 20 30 CDEDHO C[NH+]=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC1CC1 ZINC000195165156 375991686 /nfs/dbraw/zinc/99/16/86/375991686.db2.gz PWWLDCFCIFMXJF-OAHLLOKOSA-N 1 3 286.423 1.836 20 30 CDEDHO C=CCN1CC[C@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323514 376340066 /nfs/dbraw/zinc/34/00/66/376340066.db2.gz YKAZRVBLYIZNHE-GJZGRUSLSA-N 1 3 277.412 1.095 20 30 CDEDHO CCCNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000104163113 390485979 /nfs/dbraw/zinc/48/59/79/390485979.db2.gz LEYOVGBPVRHMDP-UHFFFAOYSA-N 1 3 278.400 1.441 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426420 391298965 /nfs/dbraw/zinc/29/89/65/391298965.db2.gz LTIXMJNNUMGXEL-HUUCEWRRSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426420 391298968 /nfs/dbraw/zinc/29/89/68/391298968.db2.gz LTIXMJNNUMGXEL-HUUCEWRRSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCN(C)CCN(CC)CC[NH+]1CCCCC1 ZINC000411638546 391494827 /nfs/dbraw/zinc/49/48/27/391494827.db2.gz HLVOKFUXNIZHPL-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO C[C@@H](CCNC1=[NH+]C[C@H](C)N1)N(C)Cc1ccccc1 ZINC000285041652 263089635 /nfs/dbraw/zinc/08/96/35/263089635.db2.gz KOABOAUQECMVDU-KBPBESRZSA-N 1 3 274.412 1.834 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1nccs1 ZINC000290427605 263116527 /nfs/dbraw/zinc/11/65/27/263116527.db2.gz ARGFSWLOOVYACD-GFCCVEGCSA-N 1 3 295.456 1.464 20 30 CDEDHO CC(C#N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000357911801 266383425 /nfs/dbraw/zinc/38/34/25/266383425.db2.gz LUWQFFBLAWRBOK-LBPRGKRZSA-N 1 3 251.374 1.869 20 30 CDEDHO CC(C#N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000357911801 266383427 /nfs/dbraw/zinc/38/34/27/266383427.db2.gz LUWQFFBLAWRBOK-LBPRGKRZSA-N 1 3 251.374 1.869 20 30 CDEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)CN(C)C)cc1 ZINC000291930086 328267427 /nfs/dbraw/zinc/26/74/27/328267427.db2.gz OGKVIYJXNGWWQX-NSHDSACASA-N 1 3 264.373 1.620 20 30 CDEDHO CN1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579388315 324177183 /nfs/dbraw/zinc/17/71/83/324177183.db2.gz NARZNSLSNMVGAA-LBPRGKRZSA-N 1 3 284.367 1.032 20 30 CDEDHO CC[NH+]1CCC(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000584308083 327234187 /nfs/dbraw/zinc/23/41/87/327234187.db2.gz PCWPTPVSFGGIED-UHFFFAOYSA-N 1 3 298.394 1.422 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC[C@@H]1C ZINC000262638566 330023976 /nfs/dbraw/zinc/02/39/76/330023976.db2.gz HGVOBWOZIBPHAA-BFHYXJOUSA-N 1 3 282.432 1.048 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@]1(C)C(C)C ZINC000263072303 330042135 /nfs/dbraw/zinc/04/21/35/330042135.db2.gz GWFZXJUUICTGOW-VNHYZAJKSA-N 1 3 266.433 1.810 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140623 330281241 /nfs/dbraw/zinc/28/12/41/330281241.db2.gz BMBVJKKFNWAXDN-KGLIPLIRSA-N 1 3 280.416 1.244 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045453 333053003 /nfs/dbraw/zinc/05/30/03/333053003.db2.gz JZHMTCRFAHEZLA-UKRRQHHQSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177045453 333053004 /nfs/dbraw/zinc/05/30/04/333053004.db2.gz JZHMTCRFAHEZLA-UKRRQHHQSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947614976 613256702 /nfs/dbraw/zinc/25/67/02/613256702.db2.gz BWZLXSQPPZXHIQ-GJZGRUSLSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330429 613288688 /nfs/dbraw/zinc/28/86/88/613288688.db2.gz GFTGDJVPWQQUHL-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330429 613288689 /nfs/dbraw/zinc/28/86/89/613288689.db2.gz GFTGDJVPWQQUHL-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974991006 613337523 /nfs/dbraw/zinc/33/75/23/613337523.db2.gz AXFKIEPCSJOEBX-OAHLLOKOSA-N 1 3 293.455 1.731 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCCC1 ZINC000104182587 618081999 /nfs/dbraw/zinc/08/19/99/618081999.db2.gz ZDGHABMONOEBAB-AWEZNQCLSA-N 1 3 296.459 1.724 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322377 1158727286 /nfs/dbraw/zinc/72/72/86/1158727286.db2.gz FTWRJOOXWCAXBS-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035197473 1161521498 /nfs/dbraw/zinc/52/14/98/1161521498.db2.gz OLTXZVJSAWYNOX-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035197473 1161521501 /nfs/dbraw/zinc/52/15/01/1161521501.db2.gz OLTXZVJSAWYNOX-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)CCC12CC(C1)C[NH2+]2 ZINC001574920759 1171049597 /nfs/dbraw/zinc/04/95/97/1171049597.db2.gz HJMJWRVMSLTOSN-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673380919 1173850715 /nfs/dbraw/zinc/85/07/15/1173850715.db2.gz OTRVSALTVLECBC-GJZGRUSLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001752901437 1184956870 /nfs/dbraw/zinc/95/68/70/1184956870.db2.gz QLCGVWLJZMLWGR-WFASDCNBSA-N 1 3 285.407 1.479 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001753110461 1185067043 /nfs/dbraw/zinc/06/70/43/1185067043.db2.gz NTORVFGKZIEUAY-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001753511847 1185242444 /nfs/dbraw/zinc/24/24/44/1185242444.db2.gz OYPSZKFPTRQDPC-UHFFFAOYSA-N 1 3 279.428 1.369 20 30 CDEDHO C#CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753874679 1185376263 /nfs/dbraw/zinc/37/62/63/1185376263.db2.gz AKHATCXNMVMRIT-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753874679 1185376267 /nfs/dbraw/zinc/37/62/67/1185376267.db2.gz AKHATCXNMVMRIT-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753877061 1185376380 /nfs/dbraw/zinc/37/63/80/1185376380.db2.gz YHDAYWIMRJCAHS-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753877061 1185376385 /nfs/dbraw/zinc/37/63/85/1185376385.db2.gz YHDAYWIMRJCAHS-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CCN1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001755369046 1185929489 /nfs/dbraw/zinc/92/94/89/1185929489.db2.gz SGGSQXKSMBCYOY-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCSCC1)N1CCCC[C@@H]1C ZINC000262026770 813180206 /nfs/dbraw/zinc/18/02/06/813180206.db2.gz ZRBZVXJRJHDLMJ-STQMWFEESA-N 1 3 284.473 1.613 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049064761 812082178 /nfs/dbraw/zinc/08/21/78/812082178.db2.gz LFKXQIMEGPBOFZ-ZNMIVQPWSA-N 1 3 279.428 1.293 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049064761 812082195 /nfs/dbraw/zinc/08/21/95/812082195.db2.gz LFKXQIMEGPBOFZ-ZNMIVQPWSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057964 812213663 /nfs/dbraw/zinc/21/36/63/812213663.db2.gz TYJBETLVQQHCEY-OAGGEKHMSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057964 812213690 /nfs/dbraw/zinc/21/36/90/812213690.db2.gz TYJBETLVQQHCEY-OAGGEKHMSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001032206365 812344213 /nfs/dbraw/zinc/34/42/13/812344213.db2.gz YGIJVKHYPDTUNM-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003968636 812801796 /nfs/dbraw/zinc/80/17/96/812801796.db2.gz SBRHRRJPWOHXFB-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO N#Cc1ccc(NCCN[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000925893895 812825661 /nfs/dbraw/zinc/82/56/61/812825661.db2.gz RWWTXEBELGKGEW-OLZOCXBDSA-N 1 3 259.357 1.225 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736770 813014030 /nfs/dbraw/zinc/01/40/30/813014030.db2.gz GOVDOKKXZKTRLW-ZBFHGGJFSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736770 813014037 /nfs/dbraw/zinc/01/40/37/813014037.db2.gz GOVDOKKXZKTRLW-ZBFHGGJFSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020590174 813818475 /nfs/dbraw/zinc/81/84/75/813818475.db2.gz OHLCXXSUZABJJP-XEZPLFJOSA-N 1 3 297.418 1.622 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001037859144 813836382 /nfs/dbraw/zinc/83/63/82/813836382.db2.gz IBTDKZCVEJOOIZ-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000855289592 813857385 /nfs/dbraw/zinc/85/73/85/813857385.db2.gz RVEZPCBJVOOJHS-HNNXBMFYSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000855289592 813857386 /nfs/dbraw/zinc/85/73/86/813857386.db2.gz RVEZPCBJVOOJHS-HNNXBMFYSA-N 1 3 291.439 1.321 20 30 CDEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817917450 813874451 /nfs/dbraw/zinc/87/44/51/813874451.db2.gz GVXYZXRMXUFKBZ-DZGCQCFKSA-N 1 3 259.353 1.806 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712499 813923969 /nfs/dbraw/zinc/92/39/69/813923969.db2.gz JMZSMPKTRKTXAD-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712499 813923984 /nfs/dbraw/zinc/92/39/84/813923984.db2.gz JMZSMPKTRKTXAD-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C[NH+](C)CC1(O)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000931481073 814095936 /nfs/dbraw/zinc/09/59/36/814095936.db2.gz CIIUBEIGMWGBJA-STQMWFEESA-N 1 3 251.374 1.067 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985646949 814208860 /nfs/dbraw/zinc/20/88/60/814208860.db2.gz MJJGUTUBZLJUCV-AWEZNQCLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985646949 814208866 /nfs/dbraw/zinc/20/88/66/814208866.db2.gz MJJGUTUBZLJUCV-AWEZNQCLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759511 814605490 /nfs/dbraw/zinc/60/54/90/814605490.db2.gz VYHGCZHPSAWKBQ-JKSUJKDBSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028759511 814605502 /nfs/dbraw/zinc/60/55/02/814605502.db2.gz VYHGCZHPSAWKBQ-JKSUJKDBSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995895925 814642927 /nfs/dbraw/zinc/64/29/27/814642927.db2.gz NEDZJEJIPQCBTR-KBPBESRZSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000876749288 816752636 /nfs/dbraw/zinc/75/26/36/816752636.db2.gz MQRPMRTWEHYMMD-NSHDSACASA-N 1 3 259.781 1.057 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000876749288 816752656 /nfs/dbraw/zinc/75/26/56/816752656.db2.gz MQRPMRTWEHYMMD-NSHDSACASA-N 1 3 259.781 1.057 20 30 CDEDHO C=CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990761257 816803384 /nfs/dbraw/zinc/80/33/84/816803384.db2.gz IGDUFBOQOZCLGY-ANQUJSFKSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990761257 816803386 /nfs/dbraw/zinc/80/33/86/816803386.db2.gz IGDUFBOQOZCLGY-ANQUJSFKSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038268378 816882205 /nfs/dbraw/zinc/88/22/05/816882205.db2.gz IWDHGUOQYYVLSL-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038268378 816882207 /nfs/dbraw/zinc/88/22/07/816882207.db2.gz IWDHGUOQYYVLSL-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001026149200 817227954 /nfs/dbraw/zinc/22/79/54/817227954.db2.gz WRBSDNHNKDLMPK-LFPSSSAGSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001026149200 817227968 /nfs/dbraw/zinc/22/79/68/817227968.db2.gz WRBSDNHNKDLMPK-LFPSSSAGSA-N 1 3 291.439 1.482 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688297 817255605 /nfs/dbraw/zinc/25/56/05/817255605.db2.gz SWVMTGLFKSZNBK-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688297 817255613 /nfs/dbraw/zinc/25/56/13/817255613.db2.gz SWVMTGLFKSZNBK-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001045441416 817344318 /nfs/dbraw/zinc/34/43/18/817344318.db2.gz FGQGFXCPRGJNGW-OAHLLOKOSA-N 1 3 291.439 1.485 20 30 CDEDHO C#CCOCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000851997964 817683942 /nfs/dbraw/zinc/68/39/42/817683942.db2.gz CUCMIPUHYZIUPN-HDICACEKSA-N 1 3 284.403 1.700 20 30 CDEDHO C#CCOCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000851997964 817683947 /nfs/dbraw/zinc/68/39/47/817683947.db2.gz CUCMIPUHYZIUPN-HDICACEKSA-N 1 3 284.403 1.700 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=C)C)C2)CC1 ZINC001021090241 895100963 /nfs/dbraw/zinc/10/09/63/895100963.db2.gz PVICKAOMDLELND-WKILWMFISA-N 1 3 289.423 1.145 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104678817 898876775 /nfs/dbraw/zinc/87/67/75/898876775.db2.gz CNJNCDOUVLSJPL-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809356 899525849 /nfs/dbraw/zinc/52/58/49/899525849.db2.gz GFXGDYXCXLWWPJ-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001176926535 914360367 /nfs/dbraw/zinc/36/03/67/914360367.db2.gz OZHTZRPTGSWURG-CQSZACIVSA-N 1 3 297.418 1.176 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001342174267 900796035 /nfs/dbraw/zinc/79/60/35/900796035.db2.gz OUBDYIDVSAVUFE-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO CN(C)C=Nc1ccc(NC(=N)SCC[NH3+])cc1C#N ZINC001167911563 902105337 /nfs/dbraw/zinc/10/53/37/902105337.db2.gz AFNKJTFXVDXMKZ-RQZCQDPDSA-N 1 3 290.396 1.818 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179587330 915888737 /nfs/dbraw/zinc/88/87/37/915888737.db2.gz YNOQJNUDBGSQKW-INIZCTEOSA-N 1 3 293.455 1.618 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000303905514 935047458 /nfs/dbraw/zinc/04/74/58/935047458.db2.gz ZMGQMYVCYGQFTP-IPYPFGDCSA-N 1 3 284.448 1.436 20 30 CDEDHO C#CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000997367514 919128311 /nfs/dbraw/zinc/12/83/11/919128311.db2.gz KJRSYOGQEVVEFZ-UHFFFAOYSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184858262 919316416 /nfs/dbraw/zinc/31/64/16/919316416.db2.gz IXLPHYSFGRHXDL-RBSFLKMASA-N 1 3 279.428 1.626 20 30 CDEDHO CN(Cc1ccc(C#N)nc1)CC1CC[NH+](C)CC1 ZINC001140543914 936722667 /nfs/dbraw/zinc/72/26/67/936722667.db2.gz VAPDHSORTXLSSR-UHFFFAOYSA-N 1 3 258.369 1.727 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342231 923014382 /nfs/dbraw/zinc/01/43/82/923014382.db2.gz AJGRYOIJQJNADF-LSDHHAIUSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342231 923014396 /nfs/dbraw/zinc/01/43/96/923014396.db2.gz AJGRYOIJQJNADF-LSDHHAIUSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192344454 923016542 /nfs/dbraw/zinc/01/65/42/923016542.db2.gz XCNQFYRJFDCDPE-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192344454 923016559 /nfs/dbraw/zinc/01/65/59/923016559.db2.gz XCNQFYRJFDCDPE-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354206 923029348 /nfs/dbraw/zinc/02/93/48/923029348.db2.gz JLQOORCIUWLAPD-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354206 923029358 /nfs/dbraw/zinc/02/93/58/923029358.db2.gz JLQOORCIUWLAPD-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192948195 923334693 /nfs/dbraw/zinc/33/46/93/923334693.db2.gz PYTDKLWINFMWTO-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192948195 923334704 /nfs/dbraw/zinc/33/47/04/923334704.db2.gz PYTDKLWINFMWTO-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082742850 924991062 /nfs/dbraw/zinc/99/10/62/924991062.db2.gz UQTXRFIFSDGWNF-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369904 937053707 /nfs/dbraw/zinc/05/37/07/937053707.db2.gz JZILUFKKTJLJHD-RRFJBIMHSA-N 1 3 279.428 1.198 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369904 937053711 /nfs/dbraw/zinc/05/37/11/937053711.db2.gz JZILUFKKTJLJHD-RRFJBIMHSA-N 1 3 279.428 1.198 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086217066 926839025 /nfs/dbraw/zinc/83/90/25/926839025.db2.gz MGAGIIACOPBOAV-XHSDSOJGSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086478742 927185392 /nfs/dbraw/zinc/18/53/92/927185392.db2.gz YPWWUTNRFFEKMT-ZRJCITRHSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086478742 927185398 /nfs/dbraw/zinc/18/53/98/927185398.db2.gz YPWWUTNRFFEKMT-ZRJCITRHSA-N 1 3 299.846 1.421 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803664 928645585 /nfs/dbraw/zinc/64/55/85/928645585.db2.gz FCERFAMXCBFASP-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583709 929798470 /nfs/dbraw/zinc/79/84/70/929798470.db2.gz NQDRKGPSKHZPDJ-KGLIPLIRSA-N 1 3 279.428 1.367 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476987 930227382 /nfs/dbraw/zinc/22/73/82/930227382.db2.gz PHFKWIWJEWVLLF-CABCVRRESA-N 1 3 293.455 1.615 20 30 CDEDHO CCCN(C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001148638795 932768434 /nfs/dbraw/zinc/76/84/34/932768434.db2.gz RZEXHARPHBHPGL-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001120536940 937807734 /nfs/dbraw/zinc/80/77/34/937807734.db2.gz SQNVDGPMGKUBGL-GJZGRUSLSA-N 1 3 294.443 1.100 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194505 938333335 /nfs/dbraw/zinc/33/33/35/938333335.db2.gz PSBRMFDPJPPBLH-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194505 938333336 /nfs/dbraw/zinc/33/33/36/938333336.db2.gz PSBRMFDPJPPBLH-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634911 939621291 /nfs/dbraw/zinc/62/12/91/939621291.db2.gz YHIMFEYWOOIPHL-GFCCVEGCSA-N 1 3 273.808 1.319 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677174 939625260 /nfs/dbraw/zinc/62/52/60/939625260.db2.gz GHQOKQVOHZWCPC-ZDUSSCGKSA-N 1 3 253.390 1.000 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461313 939891143 /nfs/dbraw/zinc/89/11/43/939891143.db2.gz HCRNHONMAVNCBS-INIZCTEOSA-N 1 3 293.455 1.731 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206302126 940013484 /nfs/dbraw/zinc/01/34/84/940013484.db2.gz SRFOKAGEXKMBCG-HNNXBMFYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954352 940117168 /nfs/dbraw/zinc/11/71/68/940117168.db2.gz FJGBSNQMGPKLGB-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO CCN1C[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208927736 940408119 /nfs/dbraw/zinc/40/81/19/940408119.db2.gz DPLOUNZOSZAFQP-CALCHBBNSA-N 1 3 269.392 1.984 20 30 CDEDHO CCN1C[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208927736 940408121 /nfs/dbraw/zinc/40/81/21/940408121.db2.gz DPLOUNZOSZAFQP-CALCHBBNSA-N 1 3 269.392 1.984 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642968 940622214 /nfs/dbraw/zinc/62/22/14/940622214.db2.gz QUZWPGDIVDWBID-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220797844 941473012 /nfs/dbraw/zinc/47/30/12/941473012.db2.gz XLCFRRQDZDEZLC-CYBMUJFWSA-N 1 3 265.332 1.127 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccccc1C[NH3+] ZINC001220868382 941478849 /nfs/dbraw/zinc/47/88/49/941478849.db2.gz HRQMZSNKWDUOSA-AWEZNQCLSA-N 1 3 273.380 1.526 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223467397 941679861 /nfs/dbraw/zinc/67/98/61/941679861.db2.gz ZMFKZSVBLHAJFS-MRXNPFEDSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)C(C)(C)N(C)CC)CC1 ZINC001223669399 941691529 /nfs/dbraw/zinc/69/15/29/941691529.db2.gz SPSWQRRBRHDVMD-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560854 941771210 /nfs/dbraw/zinc/77/12/10/941771210.db2.gz YEYCEZYHQNKQFG-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO CC[C@@H](CC#N)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246145361 947986660 /nfs/dbraw/zinc/98/66/60/947986660.db2.gz MONBARIKEXOUBB-STQMWFEESA-N 1 3 250.390 1.142 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC001335263560 959670673 /nfs/dbraw/zinc/67/06/73/959670673.db2.gz IRDOQQZVBFDFTN-QWHCGFSZSA-N 1 3 257.422 1.870 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342399432 963731604 /nfs/dbraw/zinc/73/16/04/963731604.db2.gz VCOVZCLVYGETHA-CYBMUJFWSA-N 1 3 259.353 1.912 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100320574 968006263 /nfs/dbraw/zinc/00/62/63/968006263.db2.gz JGDMUXOCZFTAOB-GPANFISMSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436347 1163290813 /nfs/dbraw/zinc/29/08/13/1163290813.db2.gz KUNYURFEJZGPQL-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132436347 1163290820 /nfs/dbraw/zinc/29/08/20/1163290820.db2.gz KUNYURFEJZGPQL-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)ccc1C#N ZINC000234914759 342047717 /nfs/dbraw/zinc/04/77/17/342047717.db2.gz WNTDVGHQBHLFCV-AWEZNQCLSA-N 1 3 273.380 1.998 20 30 CDEDHO C[C@H](NC(=O)[C@H](N)CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439163 342906768 /nfs/dbraw/zinc/90/67/68/342906768.db2.gz SWJAPEODEWDZSQ-GXTWGEPZSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000595936195 343201786 /nfs/dbraw/zinc/20/17/86/343201786.db2.gz NWZUDCHCWGIGHA-CHWSQXEVSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000595936195 343201788 /nfs/dbraw/zinc/20/17/88/343201788.db2.gz NWZUDCHCWGIGHA-CHWSQXEVSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000602526056 344454071 /nfs/dbraw/zinc/45/40/71/344454071.db2.gz OCITYELSZAKAJN-GJZGRUSLSA-N 1 3 295.427 1.132 20 30 CDEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[NH+](C)C ZINC000602505094 344457352 /nfs/dbraw/zinc/45/73/52/344457352.db2.gz PMRCKKARJFBXBT-CYBMUJFWSA-N 1 3 253.390 1.627 20 30 CDEDHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000365407087 344976383 /nfs/dbraw/zinc/97/63/83/344976383.db2.gz YWBDIMRUGSBIMX-CQSZACIVSA-N 1 3 280.416 1.165 20 30 CDEDHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000365407087 344976387 /nfs/dbraw/zinc/97/63/87/344976387.db2.gz YWBDIMRUGSBIMX-CQSZACIVSA-N 1 3 280.416 1.165 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(O)c1 ZINC000264070056 362956884 /nfs/dbraw/zinc/95/68/84/362956884.db2.gz CWPHDJMQSAXTCP-AWEZNQCLSA-N 1 3 290.411 1.323 20 30 CDEDHO CC(C#N)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000530809695 356766973 /nfs/dbraw/zinc/76/69/73/356766973.db2.gz UAKRWUBDMASAIM-ILXRZTDVSA-N 1 3 292.427 1.163 20 30 CDEDHO N#Cc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420329657 244094277 /nfs/dbraw/zinc/09/42/77/244094277.db2.gz KKZLBYSVKLZSSR-SJORKVTESA-N 1 3 285.391 1.886 20 30 CDEDHO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194535494 375953028 /nfs/dbraw/zinc/95/30/28/375953028.db2.gz UGRYLTAIYCKGAY-CWRNSKLLSA-N 1 3 285.391 1.971 20 30 CDEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194535494 375953036 /nfs/dbraw/zinc/95/30/36/375953036.db2.gz UGRYLTAIYCKGAY-CWRNSKLLSA-N 1 3 285.391 1.971 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000420331414 376328832 /nfs/dbraw/zinc/32/88/32/376328832.db2.gz QTMVSCWFVNXRSV-ILXRZTDVSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417534897 377893177 /nfs/dbraw/zinc/89/31/77/377893177.db2.gz WIAOMGHLOCQKCK-AWEZNQCLSA-N 1 3 294.443 1.468 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417542396 377939223 /nfs/dbraw/zinc/93/92/23/377939223.db2.gz SWIKONFPXWPCNU-CQSZACIVSA-N 1 3 280.416 1.063 20 30 CDEDHO C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062192 391248161 /nfs/dbraw/zinc/24/81/61/391248161.db2.gz ZJHQDEGYGNTEJI-INMHGKMJSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@@H+]1C1CCN(C)CC1 ZINC000339062192 391248164 /nfs/dbraw/zinc/24/81/64/391248164.db2.gz ZJHQDEGYGNTEJI-INMHGKMJSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1C1CCN(C)CC1 ZINC000339062192 391248171 /nfs/dbraw/zinc/24/81/71/391248171.db2.gz ZJHQDEGYGNTEJI-INMHGKMJSA-N 1 3 290.455 1.779 20 30 CDEDHO CCCCNC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270584779 391277360 /nfs/dbraw/zinc/27/73/60/391277360.db2.gz RDCFJQXIAZVTGK-UHFFFAOYSA-N 1 3 293.415 1.226 20 30 CDEDHO C=CC[N@@H+](C)CCN(CC)CCn1ccnc1C ZINC000411647432 391501985 /nfs/dbraw/zinc/50/19/85/391501985.db2.gz YACISCJOKFDIJT-UHFFFAOYSA-N 1 3 250.390 1.631 20 30 CDEDHO C=CC[N@H+](C)CCN(CC)CCn1ccnc1C ZINC000411647432 391501986 /nfs/dbraw/zinc/50/19/86/391501986.db2.gz YACISCJOKFDIJT-UHFFFAOYSA-N 1 3 250.390 1.631 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442712021 391732613 /nfs/dbraw/zinc/73/26/13/391732613.db2.gz FYZOATYEWHXFMB-CABCVRRESA-N 1 3 264.417 1.296 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097247 130371067 /nfs/dbraw/zinc/37/10/67/130371067.db2.gz WHGGREOOTNEVHQ-ZNMIVQPWSA-N 1 3 281.444 1.785 20 30 CDEDHO C[C@H](CN)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423315245 392960353 /nfs/dbraw/zinc/96/03/53/392960353.db2.gz ZIXBNZGMZLEPJS-CYBMUJFWSA-N 1 3 272.396 1.711 20 30 CDEDHO C[N@@H+]1CCC[C@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000520230290 267338348 /nfs/dbraw/zinc/33/83/48/267338348.db2.gz JZKMRUDJPFQVIT-CYBMUJFWSA-N 1 3 298.394 1.422 20 30 CDEDHO C[N@H+]1CCC[C@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000520230290 267338349 /nfs/dbraw/zinc/33/83/49/267338349.db2.gz JZKMRUDJPFQVIT-CYBMUJFWSA-N 1 3 298.394 1.422 20 30 CDEDHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001669909782 1173629816 /nfs/dbraw/zinc/62/98/16/1173629816.db2.gz JHHMYDWHPFKUIK-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001669909782 1173629818 /nfs/dbraw/zinc/62/98/18/1173629818.db2.gz JHHMYDWHPFKUIK-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO CN(C)C(=[NH+]C[C@H](C1CCCCC1)N(C)C)N(C)C ZINC000262014386 329997372 /nfs/dbraw/zinc/99/73/72/329997372.db2.gz VMAQJOLKUSVVHP-CQSZACIVSA-N 1 3 268.449 1.976 20 30 CDEDHO CC/[NH+]=C(\N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262492974 330017413 /nfs/dbraw/zinc/01/74/13/330017413.db2.gz VLOPYUZIBBOTSW-NPIURYIMSA-N 1 3 252.406 1.484 20 30 CDEDHO C#CCNC(NC[C@H](C)N1CCC[C@H](C)C1)=[NH+]CC ZINC000262636102 330023733 /nfs/dbraw/zinc/02/37/33/330023733.db2.gz ZNGIUSGNYXHIKU-KBPBESRZSA-N 1 3 264.417 1.295 20 30 CDEDHO C=CCN1CCC(NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000262665954 330025485 /nfs/dbraw/zinc/02/54/85/330025485.db2.gz JTFLUYCCDDUOHY-UHFFFAOYSA-N 1 3 265.401 1.415 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000272748181 330093375 /nfs/dbraw/zinc/09/33/75/330093375.db2.gz DRNZOSFBXZEHGQ-AWEZNQCLSA-N 1 3 289.423 1.098 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272748181 330093376 /nfs/dbraw/zinc/09/33/76/330093376.db2.gz DRNZOSFBXZEHGQ-AWEZNQCLSA-N 1 3 289.423 1.098 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422981572 330162605 /nfs/dbraw/zinc/16/26/05/330162605.db2.gz SXTICLSPNQGTLI-UKRRQHHQSA-N 1 3 251.418 1.615 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155651 330303438 /nfs/dbraw/zinc/30/34/38/330303438.db2.gz NJAZQUOFQCXWKX-TZMCWYRMSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000424155651 330303439 /nfs/dbraw/zinc/30/34/39/330303439.db2.gz NJAZQUOFQCXWKX-TZMCWYRMSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155650 330303475 /nfs/dbraw/zinc/30/34/75/330303475.db2.gz NJAZQUOFQCXWKX-OCCSQVGLSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000424155650 330303476 /nfs/dbraw/zinc/30/34/76/330303476.db2.gz NJAZQUOFQCXWKX-OCCSQVGLSA-N 1 3 278.400 1.141 20 30 CDEDHO C#CCN(C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000491620429 332246269 /nfs/dbraw/zinc/24/62/69/332246269.db2.gz CIKIXYMHKNPTNR-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747189 613301918 /nfs/dbraw/zinc/30/19/18/613301918.db2.gz TYMXGJZEHUEFFT-ZDUSSCGKSA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369106 613308556 /nfs/dbraw/zinc/30/85/56/613308556.db2.gz BELTXWRFLDBEJF-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369106 613308559 /nfs/dbraw/zinc/30/85/59/613308559.db2.gz BELTXWRFLDBEJF-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968547872 613325400 /nfs/dbraw/zinc/32/54/00/613325400.db2.gz BCVQUTRGYALYLG-HUUCEWRRSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969653875 613485923 /nfs/dbraw/zinc/48/59/23/613485923.db2.gz NJFLNRGGXNPQAR-HOCLYGCPSA-N 1 3 293.455 1.872 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246124 613558077 /nfs/dbraw/zinc/55/80/77/613558077.db2.gz VSKYOIGKGAKSFM-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246124 613558078 /nfs/dbraw/zinc/55/80/78/613558078.db2.gz VSKYOIGKGAKSFM-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971711986 613611539 /nfs/dbraw/zinc/61/15/39/613611539.db2.gz HVWKMPFSLYLDTF-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971711986 613611540 /nfs/dbraw/zinc/61/15/40/613611540.db2.gz HVWKMPFSLYLDTF-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971781394 613614621 /nfs/dbraw/zinc/61/46/21/613614621.db2.gz JCBNHLYEKBWEGH-CHWSQXEVSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971781394 613614625 /nfs/dbraw/zinc/61/46/25/613614625.db2.gz JCBNHLYEKBWEGH-CHWSQXEVSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815853 613678326 /nfs/dbraw/zinc/67/83/26/613678326.db2.gz FFPGMIBFMSIHHC-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815853 613678327 /nfs/dbraw/zinc/67/83/27/613678327.db2.gz FFPGMIBFMSIHHC-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC(NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891522883 617459454 /nfs/dbraw/zinc/45/94/54/617459454.db2.gz XQYZXUJHQLLUCC-UHFFFAOYSA-N 1 3 292.427 1.302 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911833607 629564091 /nfs/dbraw/zinc/56/40/91/629564091.db2.gz YUJUVNWQTKYJSE-OCCSQVGLSA-N 1 3 255.406 1.550 20 30 CDEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001699598962 1176494060 /nfs/dbraw/zinc/49/40/60/1176494060.db2.gz IWPBXXGYDKWAQW-CABCVRRESA-N 1 3 279.428 1.080 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001753460318 1184545014 /nfs/dbraw/zinc/54/50/14/1184545014.db2.gz VSRBEFCIOJUEKN-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001753460318 1184545018 /nfs/dbraw/zinc/54/50/18/1184545018.db2.gz VSRBEFCIOJUEKN-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753815376 1185342321 /nfs/dbraw/zinc/34/23/21/1185342321.db2.gz MCOAXMLSEQLMAT-QWHCGFSZSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001754325829 1185578231 /nfs/dbraw/zinc/57/82/31/1185578231.db2.gz WUIINORTEBCSTK-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001754325829 1185578237 /nfs/dbraw/zinc/57/82/37/1185578237.db2.gz WUIINORTEBCSTK-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)CC[C@H]21 ZINC000886043601 818018733 /nfs/dbraw/zinc/01/87/33/818018733.db2.gz GCPZGKMIULJSNT-OWCLPIDISA-N 1 3 291.439 1.847 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)CC[C@H]21 ZINC000886043601 818018741 /nfs/dbraw/zinc/01/87/41/818018741.db2.gz GCPZGKMIULJSNT-OWCLPIDISA-N 1 3 291.439 1.847 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049891722 818222877 /nfs/dbraw/zinc/22/28/77/818222877.db2.gz WZZIOACNCJXTRE-RRFJBIMHSA-N 1 3 277.412 1.189 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049891722 818222880 /nfs/dbraw/zinc/22/28/80/818222880.db2.gz WZZIOACNCJXTRE-RRFJBIMHSA-N 1 3 277.412 1.189 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759509 818621330 /nfs/dbraw/zinc/62/13/30/818621330.db2.gz VYHGCZHPSAWKBQ-HOTGVXAUSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028759509 818621340 /nfs/dbraw/zinc/62/13/40/818621340.db2.gz VYHGCZHPSAWKBQ-HOTGVXAUSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024800964 818761761 /nfs/dbraw/zinc/76/17/61/818761761.db2.gz KCUWHJKLYLJXLV-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024800964 818761769 /nfs/dbraw/zinc/76/17/69/818761769.db2.gz KCUWHJKLYLJXLV-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999405193 818787649 /nfs/dbraw/zinc/78/76/49/818787649.db2.gz COJJRVFQOGQUIK-IYXRBSQSSA-N 1 3 265.401 1.236 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072815427 819130897 /nfs/dbraw/zinc/13/08/97/819130897.db2.gz YIBWSNVKMUDONN-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072815427 819130900 /nfs/dbraw/zinc/13/09/00/819130900.db2.gz YIBWSNVKMUDONN-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377066 819296665 /nfs/dbraw/zinc/29/66/65/819296665.db2.gz ZVAHQGPTXGUHTF-RDJZCZTQSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046377066 819296670 /nfs/dbraw/zinc/29/66/70/819296670.db2.gz ZVAHQGPTXGUHTF-RDJZCZTQSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996249788 819333724 /nfs/dbraw/zinc/33/37/24/819333724.db2.gz TZAOCXLUOMFECY-UONOGXRCSA-N 1 3 279.428 1.032 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000933355007 819544575 /nfs/dbraw/zinc/54/45/75/819544575.db2.gz MPVKYSXPVPQWOK-MRXNPFEDSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796839 819564939 /nfs/dbraw/zinc/56/49/39/819564939.db2.gz PPHFJIJBVCFQKC-VGWMRTNUSA-N 1 3 291.439 1.509 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000985801674 819626545 /nfs/dbraw/zinc/62/65/45/819626545.db2.gz IAEYPSHHNFVXFC-MRXNPFEDSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000985801674 819626565 /nfs/dbraw/zinc/62/65/65/819626565.db2.gz IAEYPSHHNFVXFC-MRXNPFEDSA-N 1 3 291.439 1.417 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCC1CC1 ZINC000304750068 819841870 /nfs/dbraw/zinc/84/18/70/819841870.db2.gz ICFAESYJBXRAIJ-ZDUSSCGKSA-N 1 3 252.406 1.565 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1CCCCO1 ZINC000305817383 819846300 /nfs/dbraw/zinc/84/63/00/819846300.db2.gz AJUIANXZCCCRHN-KBPBESRZSA-N 1 3 282.432 1.334 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]12 ZINC001026366845 820284035 /nfs/dbraw/zinc/28/40/35/820284035.db2.gz QZAITHHMOIFEIK-VHDGCEQUSA-N 1 3 288.395 1.355 20 30 CDEDHO C[C@@H]1CCCN(C(=[NH2+])NCCN2CCCCCC2)C1 ZINC000104168402 820353263 /nfs/dbraw/zinc/35/32/63/820353263.db2.gz SLCCTFJXJYGUMQ-CQSZACIVSA-N 1 3 266.433 1.909 20 30 CDEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005990444 820817613 /nfs/dbraw/zinc/81/76/13/820817613.db2.gz GYPDMXKBCJCAGO-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994247226 820848012 /nfs/dbraw/zinc/84/80/12/820848012.db2.gz CMKRGCDXOGDWTD-GJZGRUSLSA-N 1 3 291.439 1.627 20 30 CDEDHO CC#CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081143 820886943 /nfs/dbraw/zinc/88/69/43/820886943.db2.gz HHIPFQFUDGZMFA-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567650 821048117 /nfs/dbraw/zinc/04/81/17/821048117.db2.gz DDVSVSSGLXJZDY-RRFJBIMHSA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567650 821048122 /nfs/dbraw/zinc/04/81/22/821048122.db2.gz DDVSVSSGLXJZDY-RRFJBIMHSA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001054742255 821126852 /nfs/dbraw/zinc/12/68/52/821126852.db2.gz YUCMIDXDXOCGJO-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO CCOCCC1(CNC(=[NH2+])NC[C@H]2CCCN2CC)CC1 ZINC000130608410 821324772 /nfs/dbraw/zinc/32/47/72/821324772.db2.gz ITBZLSPKODBOGI-CQSZACIVSA-N 1 3 296.459 1.582 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597139 821363436 /nfs/dbraw/zinc/36/34/36/821363436.db2.gz NGFQLJJKCIJVHY-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597139 821363446 /nfs/dbraw/zinc/36/34/46/821363446.db2.gz NGFQLJJKCIJVHY-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000872284575 821804760 /nfs/dbraw/zinc/80/47/60/821804760.db2.gz TWVZCFZKOSUEAE-LSDHHAIUSA-N 1 3 279.428 1.661 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271761 913523780 /nfs/dbraw/zinc/52/37/80/913523780.db2.gz CTRJFEPQJSPEFD-OAHLLOKOSA-N 1 3 293.455 1.616 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC(=C)C)CC1 ZINC001176925848 914359287 /nfs/dbraw/zinc/35/92/87/914359287.db2.gz CLPJMFZYODCKDC-UHFFFAOYSA-N 1 3 277.412 1.004 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022450 905835084 /nfs/dbraw/zinc/83/50/84/905835084.db2.gz PEFBEYNFOLYOFI-KBPBESRZSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168022450 905835090 /nfs/dbraw/zinc/83/50/90/905835090.db2.gz PEFBEYNFOLYOFI-KBPBESRZSA-N 1 3 299.846 1.852 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179498628 915863867 /nfs/dbraw/zinc/86/38/67/915863867.db2.gz AKZKOQBAGWZOGI-MRXNPFEDSA-N 1 3 295.471 1.862 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107042259 917896612 /nfs/dbraw/zinc/89/66/12/917896612.db2.gz CVARQCVBLBAKFS-OAGGEKHMSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182516106 917928296 /nfs/dbraw/zinc/92/82/96/917928296.db2.gz AEPWYXRXBICDLR-BFYDXBDKSA-N 1 3 295.471 1.833 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107614990 918496670 /nfs/dbraw/zinc/49/66/70/918496670.db2.gz POYFUYLCEGHBTO-NVXWUHKLSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107614990 918496675 /nfs/dbraw/zinc/49/66/75/918496675.db2.gz POYFUYLCEGHBTO-NVXWUHKLSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185751745 919753203 /nfs/dbraw/zinc/75/32/03/919753203.db2.gz QFRPBNPMOCXGTC-HOTGVXAUSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190666241 922108108 /nfs/dbraw/zinc/10/81/08/922108108.db2.gz KWQZUEKLHVWBRU-HOTGVXAUSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190666241 922108114 /nfs/dbraw/zinc/10/81/14/922108114.db2.gz KWQZUEKLHVWBRU-HOTGVXAUSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214204 922545436 /nfs/dbraw/zinc/54/54/36/922545436.db2.gz IWLFPNCPPXUHMG-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214204 922545439 /nfs/dbraw/zinc/54/54/39/922545439.db2.gz IWLFPNCPPXUHMG-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006001348 923675737 /nfs/dbraw/zinc/67/57/37/923675737.db2.gz MPVPCJOYSQGEPL-HIFRSBDPSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001006001348 923675743 /nfs/dbraw/zinc/67/57/43/923675743.db2.gz MPVPCJOYSQGEPL-HIFRSBDPSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434171 937141755 /nfs/dbraw/zinc/14/17/55/937141755.db2.gz SGEOAOVBRKGQAG-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434171 937141757 /nfs/dbraw/zinc/14/17/57/937141757.db2.gz SGEOAOVBRKGQAG-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550480 937146074 /nfs/dbraw/zinc/14/60/74/937146074.db2.gz SDXISKMPSDDLRM-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550480 937146075 /nfs/dbraw/zinc/14/60/75/937146075.db2.gz SDXISKMPSDDLRM-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108785643 928630765 /nfs/dbraw/zinc/63/07/65/928630765.db2.gz KWIAPQVMKJZEGA-XHSDSOJGSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584864 929797670 /nfs/dbraw/zinc/79/76/70/929797670.db2.gz XRISWULTUROXMN-CHWSQXEVSA-N 1 3 267.417 1.530 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467296 930216104 /nfs/dbraw/zinc/21/61/04/930216104.db2.gz FMHGSZJGVJUSAC-UONOGXRCSA-N 1 3 279.428 1.224 20 30 CDEDHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2CCCC#N ZINC001274039744 931139804 /nfs/dbraw/zinc/13/98/04/931139804.db2.gz LYGGYQNLHHFQHU-INIZCTEOSA-N 1 3 292.427 1.309 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171254341 932142017 /nfs/dbraw/zinc/14/20/17/932142017.db2.gz RDBNXVBSOWESLU-HIFRSBDPSA-N 1 3 279.428 1.224 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839514 932795818 /nfs/dbraw/zinc/79/58/18/932795818.db2.gz PRSXITKQNVRVMU-UHFFFAOYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839514 932795824 /nfs/dbraw/zinc/79/58/24/932795824.db2.gz PRSXITKQNVRVMU-UHFFFAOYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925655284 932922520 /nfs/dbraw/zinc/92/25/20/932922520.db2.gz JGRPIBVMYNWFKC-ABDZMETNSA-N 1 3 262.397 1.554 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795069 934969670 /nfs/dbraw/zinc/96/96/70/934969670.db2.gz VJILQBWRUUXIGS-CBBWQLFWSA-N 1 3 279.428 1.195 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795069 934969676 /nfs/dbraw/zinc/96/96/76/934969676.db2.gz VJILQBWRUUXIGS-CBBWQLFWSA-N 1 3 279.428 1.195 20 30 CDEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040260436 935786524 /nfs/dbraw/zinc/78/65/24/935786524.db2.gz FCPPGNLLJSMZSA-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001040260436 935786526 /nfs/dbraw/zinc/78/65/26/935786526.db2.gz FCPPGNLLJSMZSA-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569867 935960361 /nfs/dbraw/zinc/96/03/61/935960361.db2.gz PFKCGMTYIZLPNM-YQQAZPJKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569867 935960362 /nfs/dbraw/zinc/96/03/62/935960362.db2.gz PFKCGMTYIZLPNM-YQQAZPJKSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)CN(C)C3CCC3)C2)C1 ZINC001121238730 937863307 /nfs/dbraw/zinc/86/33/07/937863307.db2.gz TVVYDPOWFNGRJL-UHFFFAOYSA-N 1 3 289.423 1.121 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001121922423 937890869 /nfs/dbraw/zinc/89/08/69/937890869.db2.gz IZQFYQJRRSQNMN-OLZOCXBDSA-N 1 3 269.433 1.763 20 30 CDEDHO C=CCN1CCC[C@H]1CNc1cc(C2C[NH2+]C2)ncn1 ZINC001160957919 938849887 /nfs/dbraw/zinc/84/98/87/938849887.db2.gz XRBMUAWURPDCRF-ZDUSSCGKSA-N 1 3 273.384 1.226 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207801 938879474 /nfs/dbraw/zinc/87/94/74/938879474.db2.gz WQQLEOPYZBHYSF-HOCLYGCPSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207801 938879475 /nfs/dbraw/zinc/87/94/75/938879475.db2.gz WQQLEOPYZBHYSF-HOCLYGCPSA-N 1 3 291.439 1.509 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166425097 939608829 /nfs/dbraw/zinc/60/88/29/939608829.db2.gz PBDMHURNFHYDHG-ZDUSSCGKSA-N 1 3 289.851 1.955 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651589 939699859 /nfs/dbraw/zinc/69/98/59/939699859.db2.gz OFERCIGPFJERDP-HUUCEWRRSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791432 939704301 /nfs/dbraw/zinc/70/43/01/939704301.db2.gz INZHVBAMKGCJOI-UONOGXRCSA-N 1 3 279.428 1.530 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205570747 939904202 /nfs/dbraw/zinc/90/42/02/939904202.db2.gz NYJARERNTPOZRF-CQSZACIVSA-N 1 3 262.332 1.606 20 30 CDEDHO CCN1C[C@@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@H]2C1 ZINC001208927738 940408259 /nfs/dbraw/zinc/40/82/59/940408259.db2.gz DPLOUNZOSZAFQP-IAGOWNOFSA-N 1 3 269.392 1.984 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211279596 940745346 /nfs/dbraw/zinc/74/53/46/940745346.db2.gz YURPIALDYHLPDR-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536212 940892835 /nfs/dbraw/zinc/89/28/35/940892835.db2.gz MOCZOKGGYFYBCD-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919539 941555381 /nfs/dbraw/zinc/55/53/81/941555381.db2.gz UQIRQILEVNBHAA-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919539 941555382 /nfs/dbraw/zinc/55/53/82/941555382.db2.gz UQIRQILEVNBHAA-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001223598108 941687793 /nfs/dbraw/zinc/68/77/93/941687793.db2.gz WPEPFYJGUCXJAA-OAHLLOKOSA-N 1 3 279.428 1.178 20 30 CDEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223846522 941703340 /nfs/dbraw/zinc/70/33/40/941703340.db2.gz NAMZRARCTXOOQQ-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223846522 941703343 /nfs/dbraw/zinc/70/33/43/941703343.db2.gz NAMZRARCTXOOQQ-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224403113 941748995 /nfs/dbraw/zinc/74/89/95/941748995.db2.gz YOOARYCZWQKDCW-MRXNPFEDSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC001263103385 943745217 /nfs/dbraw/zinc/74/52/17/943745217.db2.gz XPWSCPDYGRFFQW-FPMFFAJLSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001263103385 943745220 /nfs/dbraw/zinc/74/52/20/943745220.db2.gz XPWSCPDYGRFFQW-FPMFFAJLSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001263103385 943745223 /nfs/dbraw/zinc/74/52/23/943745223.db2.gz XPWSCPDYGRFFQW-FPMFFAJLSA-N 1 3 265.401 1.269 20 30 CDEDHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943303 944147712 /nfs/dbraw/zinc/14/77/12/944147712.db2.gz RLTGGZKQVSHGOM-UHFFFAOYSA-N 1 3 292.427 1.166 20 30 CDEDHO CC[C@H](CC#N)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246861349 948487124 /nfs/dbraw/zinc/48/71/24/948487124.db2.gz XTLXMEIDKWYPAU-SSZWKKLZSA-N 1 3 291.395 1.009 20 30 CDEDHO N#C[C@@H]1C[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934870 948528918 /nfs/dbraw/zinc/52/89/18/948528918.db2.gz CJDNGDZNXLXXFB-YQQAZPJKSA-N 1 3 290.455 1.875 20 30 CDEDHO N#C[C@@H]1C[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934870 948528922 /nfs/dbraw/zinc/52/89/22/948528922.db2.gz CJDNGDZNXLXXFB-YQQAZPJKSA-N 1 3 290.455 1.875 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001331615659 957169698 /nfs/dbraw/zinc/16/96/98/957169698.db2.gz LTFSUDWHTUXVNM-OLZOCXBDSA-N 1 3 255.406 1.339 20 30 CDEDHO CCN1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001335395424 959771203 /nfs/dbraw/zinc/77/12/03/959771203.db2.gz VGRRRYMUIOBEPO-OLZOCXBDSA-N 1 3 253.390 1.219 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC001353507303 968025625 /nfs/dbraw/zinc/02/56/25/968025625.db2.gz BAYOSZXUAMSBAV-STQMWFEESA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407674 968265469 /nfs/dbraw/zinc/26/54/69/968265469.db2.gz FIIDTGVJLQPUIU-ZALBZXLWSA-N 1 3 279.428 1.387 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100675845 968926660 /nfs/dbraw/zinc/92/66/60/968926660.db2.gz AGMOWJKCBVTUNR-NFOMZHRRSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001357491378 969608333 /nfs/dbraw/zinc/60/83/33/969608333.db2.gz XDVVVTDSMCDYET-UKRRQHHQSA-N 1 3 281.444 1.859 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273230 1163225371 /nfs/dbraw/zinc/22/53/71/1163225371.db2.gz FGBPGYACIDDCMS-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635530641 361767660 /nfs/dbraw/zinc/76/76/60/361767660.db2.gz GIVWBIBYHOOEBA-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635530641 361767664 /nfs/dbraw/zinc/76/76/64/361767664.db2.gz GIVWBIBYHOOEBA-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592619 343839165 /nfs/dbraw/zinc/83/91/65/343839165.db2.gz KEYMRJNGJOLVFT-RBSFLKMASA-N 1 3 279.428 1.703 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592619 343839167 /nfs/dbraw/zinc/83/91/67/343839167.db2.gz KEYMRJNGJOLVFT-RBSFLKMASA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592619 343839168 /nfs/dbraw/zinc/83/91/68/343839168.db2.gz KEYMRJNGJOLVFT-RBSFLKMASA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592619 343839171 /nfs/dbraw/zinc/83/91/71/343839171.db2.gz KEYMRJNGJOLVFT-RBSFLKMASA-N 1 3 279.428 1.703 20 30 CDEDHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612052 343842290 /nfs/dbraw/zinc/84/22/90/343842290.db2.gz YJWUWMYNGDXLPV-ZIAGYGMSSA-N 1 3 267.417 1.703 20 30 CDEDHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612052 343842292 /nfs/dbraw/zinc/84/22/92/343842292.db2.gz YJWUWMYNGDXLPV-ZIAGYGMSSA-N 1 3 267.417 1.703 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722608 343884145 /nfs/dbraw/zinc/88/41/45/343884145.db2.gz BXGBIRSXFCNAFJ-CABCVRRESA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722608 343884147 /nfs/dbraw/zinc/88/41/47/343884147.db2.gz BXGBIRSXFCNAFJ-CABCVRRESA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)CN1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722608 343884148 /nfs/dbraw/zinc/88/41/48/343884148.db2.gz BXGBIRSXFCNAFJ-CABCVRRESA-N 1 3 281.444 1.855 20 30 CDEDHO C=CCN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000151000015 345231536 /nfs/dbraw/zinc/23/15/36/345231536.db2.gz MQQWLTXUIUISKO-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271954311 191428869 /nfs/dbraw/zinc/42/88/69/191428869.db2.gz PQZGZGPPLYUEHH-GFCCVEGCSA-N 1 3 291.370 1.805 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC(CC[NH2+]C)CC1 ZINC000070189673 356861818 /nfs/dbraw/zinc/86/18/18/356861818.db2.gz OPMZWYFYDTWQGA-UHFFFAOYSA-N 1 3 279.428 1.509 20 30 CDEDHO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)C(C)C ZINC000262091373 359134729 /nfs/dbraw/zinc/13/47/29/359134729.db2.gz GKIJKYCJWTUPFC-QWHCGFSZSA-N 1 3 250.390 1.033 20 30 CDEDHO C[C@@H](CC[NH+](C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349872112 360956880 /nfs/dbraw/zinc/95/68/80/360956880.db2.gz BSFUDULTYFUZDI-XJKSGUPXSA-N 1 3 298.390 1.697 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000185367318 372662688 /nfs/dbraw/zinc/66/26/88/372662688.db2.gz YGCRNIMIXWDJPE-HNNXBMFYSA-N 1 3 253.434 1.958 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]([NH3+])CC)CC1 ZINC000417545567 377932005 /nfs/dbraw/zinc/93/20/05/377932005.db2.gz XREIGLFZIGZJKF-GFCCVEGCSA-N 1 3 268.405 1.063 20 30 CDEDHO CN(CCCC#N)CCN(C)C1CC[NH+](C)CC1 ZINC000119723749 390640944 /nfs/dbraw/zinc/64/09/44/390640944.db2.gz TURYVGKEWSDACM-UHFFFAOYSA-N 1 3 252.406 1.248 20 30 CDEDHO CN(CCNC(=[NH2+])Nc1ccccn1)C1CCCC1 ZINC000178569022 391187891 /nfs/dbraw/zinc/18/78/91/391187891.db2.gz BEJHHOOFAKHSNO-UHFFFAOYSA-N 1 3 261.373 1.683 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779913 391312384 /nfs/dbraw/zinc/31/23/84/391312384.db2.gz MCIVSYTVZWHKMA-YVECIDJPSA-N 1 3 251.374 1.629 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779913 391312386 /nfs/dbraw/zinc/31/23/86/391312386.db2.gz MCIVSYTVZWHKMA-YVECIDJPSA-N 1 3 251.374 1.629 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@H]2CCCN(Cc3cccs3)C2)N1 ZINC000262685702 391812507 /nfs/dbraw/zinc/81/25/07/391812507.db2.gz YIFJCTGQSHYDLM-QWHCGFSZSA-N 1 3 292.452 1.897 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364740257 262260947 /nfs/dbraw/zinc/26/09/47/262260947.db2.gz PYUQEWIGWXOFEB-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364740257 262260949 /nfs/dbraw/zinc/26/09/49/262260949.db2.gz PYUQEWIGWXOFEB-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCN1CCC(NC(=O)N(CCC)[C@H]2CC[NH2+]C2)CC1 ZINC000417534268 264422675 /nfs/dbraw/zinc/42/26/75/264422675.db2.gz VVVGGMAUDLAIRS-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO CCN(CC[NH+]1CCCCCC1)C(=O)C(C)C#N ZINC000346311132 279187873 /nfs/dbraw/zinc/18/78/73/279187873.db2.gz YGPZWIKPTCKODX-CYBMUJFWSA-N 1 3 251.374 1.871 20 30 CDEDHO C=C(C)CN1CCC([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000564845608 327009395 /nfs/dbraw/zinc/00/93/95/327009395.db2.gz VEVQXHDSRXSTRP-INIZCTEOSA-N 1 3 281.444 1.072 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC1(C)C ZINC000262398716 330012706 /nfs/dbraw/zinc/01/27/06/330012706.db2.gz NGSUTWYEEVRSGU-RYUDHWBXSA-N 1 3 252.406 1.421 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C1(C)C[NH2+]C1)C(C)C ZINC000423342494 330192112 /nfs/dbraw/zinc/19/21/12/330192112.db2.gz NDOKYYIKHLNXTA-CQSZACIVSA-N 1 3 279.428 1.411 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423372994 330195360 /nfs/dbraw/zinc/19/53/60/330195360.db2.gz GOAZJINXQGWSOR-TZMCWYRMSA-N 1 3 267.417 1.372 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000424056770 330218512 /nfs/dbraw/zinc/21/85/12/330218512.db2.gz HWUBAUYHDVXUGT-GFCCVEGCSA-N 1 3 266.389 1.175 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000424125919 330259104 /nfs/dbraw/zinc/25/91/04/330259104.db2.gz AXGKFRQTLWYEKK-HUUCEWRRSA-N 1 3 292.427 1.484 20 30 CDEDHO C=CCN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000552920318 334350766 /nfs/dbraw/zinc/35/07/66/334350766.db2.gz XCDVKTYUKHYUIS-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000986932523 1160482338 /nfs/dbraw/zinc/48/23/38/1160482338.db2.gz AQRZCCHYBRZNQJ-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836037 1160627180 /nfs/dbraw/zinc/62/71/80/1160627180.db2.gz KCUAWLSSIJASCB-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836037 1160627184 /nfs/dbraw/zinc/62/71/84/1160627184.db2.gz KCUAWLSSIJASCB-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C[NH+](C)C)C(C)C)CC1 ZINC000733164269 575102571 /nfs/dbraw/zinc/10/25/71/575102571.db2.gz NZOZPERAXMOBLL-OAHLLOKOSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000764585828 575923456 /nfs/dbraw/zinc/92/34/56/575923456.db2.gz VYDMJQUYGJFIOW-HNNXBMFYSA-N 1 3 279.428 1.439 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000963912358 612955506 /nfs/dbraw/zinc/95/55/06/612955506.db2.gz KACZXYKLVSLRCC-FHERZECASA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980473052 613095435 /nfs/dbraw/zinc/09/54/35/613095435.db2.gz YMQKDKABWCFJAF-KRWDZBQOSA-N 1 3 299.418 1.528 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050338 613301860 /nfs/dbraw/zinc/30/18/60/613301860.db2.gz MGLCXBMPZVFLRY-AWEZNQCLSA-N 1 3 291.439 1.627 20 30 CDEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598421 613578228 /nfs/dbraw/zinc/57/82/28/613578228.db2.gz XHQQDGXCYQRVED-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000104168033 617985725 /nfs/dbraw/zinc/98/57/25/617985725.db2.gz LGLMJPDUUYGPGV-STQMWFEESA-N 1 3 252.406 1.587 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911699289 629423414 /nfs/dbraw/zinc/42/34/14/629423414.db2.gz PEXULNRLVRNVTI-OLZOCXBDSA-N 1 3 255.406 1.542 20 30 CDEDHO C=CCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001752484727 1184869985 /nfs/dbraw/zinc/86/99/85/1184869985.db2.gz REBZLPPGMZQPKS-ZFWWWQNUSA-N 1 3 279.428 1.389 20 30 CDEDHO C=CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001753014907 1184995614 /nfs/dbraw/zinc/99/56/14/1184995614.db2.gz TZYLUCSRGXIBIY-CJNGLKHVSA-N 1 3 299.434 1.869 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001753109259 1185066505 /nfs/dbraw/zinc/06/65/05/1185066505.db2.gz RKZMKAVVYXZUAV-HNNXBMFYSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001753109259 1185066508 /nfs/dbraw/zinc/06/65/08/1185066508.db2.gz RKZMKAVVYXZUAV-HNNXBMFYSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001754051319 1185442396 /nfs/dbraw/zinc/44/23/96/1185442396.db2.gz GTBKDRUWDFLBNL-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001754051319 1185442398 /nfs/dbraw/zinc/44/23/98/1185442398.db2.gz GTBKDRUWDFLBNL-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754255570 1185532650 /nfs/dbraw/zinc/53/26/50/1185532650.db2.gz RQFRVWMWJUWPJI-CVEARBPZSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CCN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754336409 1185586344 /nfs/dbraw/zinc/58/63/44/1185586344.db2.gz LJAULQRYCMLALN-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755024764 1185789257 /nfs/dbraw/zinc/78/92/57/1185789257.db2.gz IDVGIQGXKRNNTA-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755024764 1185789259 /nfs/dbraw/zinc/78/92/59/1185789259.db2.gz IDVGIQGXKRNNTA-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001755315386 1185913140 /nfs/dbraw/zinc/91/31/40/1185913140.db2.gz ONRTUWNTWWEPFQ-LSDHHAIUSA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001755315386 1185913143 /nfs/dbraw/zinc/91/31/43/1185913143.db2.gz ONRTUWNTWWEPFQ-LSDHHAIUSA-N 1 3 283.460 1.975 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)cc1 ZINC000304748738 828569526 /nfs/dbraw/zinc/56/95/26/828569526.db2.gz HHZRRRPBZBSCRD-MRXNPFEDSA-N 1 3 288.439 1.926 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001023371999 824255024 /nfs/dbraw/zinc/25/50/24/824255024.db2.gz KPBVWWXJBHUCIW-HRCADAONSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023371999 824255033 /nfs/dbraw/zinc/25/50/33/824255033.db2.gz KPBVWWXJBHUCIW-HRCADAONSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016330736 824340812 /nfs/dbraw/zinc/34/08/12/824340812.db2.gz UZFWMCYVXLUCSE-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016330736 824340817 /nfs/dbraw/zinc/34/08/17/824340817.db2.gz UZFWMCYVXLUCSE-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1C#N ZINC000087824047 824353458 /nfs/dbraw/zinc/35/34/58/824353458.db2.gz BVVSNUWSNYAUAK-AWEZNQCLSA-N 1 3 273.380 1.998 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796766 824392276 /nfs/dbraw/zinc/39/22/76/824392276.db2.gz WYWRXLWCFNXCGA-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663586 828656656 /nfs/dbraw/zinc/65/66/56/828656656.db2.gz VRLPEDPODYYUGR-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006001345 824568484 /nfs/dbraw/zinc/56/84/84/824568484.db2.gz MPVPCJOYSQGEPL-DZGCQCFKSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001006001345 824568491 /nfs/dbraw/zinc/56/84/91/824568491.db2.gz MPVPCJOYSQGEPL-DZGCQCFKSA-N 1 3 279.428 1.293 20 30 CDEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447380 824734006 /nfs/dbraw/zinc/73/40/06/824734006.db2.gz VKRGOKXMJAKDFJ-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447380 824734051 /nfs/dbraw/zinc/73/40/51/824734051.db2.gz VKRGOKXMJAKDFJ-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155174946 1167102281 /nfs/dbraw/zinc/10/22/81/1167102281.db2.gz MOOUUORSALRHMO-CABCVRRESA-N 1 3 281.444 1.567 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579539 825212468 /nfs/dbraw/zinc/21/24/68/825212468.db2.gz GVDADPHLFKXYLU-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579539 825212481 /nfs/dbraw/zinc/21/24/81/825212481.db2.gz GVDADPHLFKXYLU-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852410482 825301056 /nfs/dbraw/zinc/30/10/56/825301056.db2.gz MRCLRDMBNUKTDR-LSDHHAIUSA-N 1 3 252.402 1.731 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089212 825652647 /nfs/dbraw/zinc/65/26/47/825652647.db2.gz HAUVQSOYHOLNDE-HZSPNIEDSA-N 1 3 297.830 1.318 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117254 826224311 /nfs/dbraw/zinc/22/43/11/826224311.db2.gz OLOMBHVTHLYPSY-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100129 826343522 /nfs/dbraw/zinc/34/35/22/826343522.db2.gz YPCBHAXJZPMQNJ-LJIZCISZSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100129 826343527 /nfs/dbraw/zinc/34/35/27/826343527.db2.gz YPCBHAXJZPMQNJ-LJIZCISZSA-N 1 3 289.423 1.236 20 30 CDEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001039270237 826806663 /nfs/dbraw/zinc/80/66/63/826806663.db2.gz FXFUTNLJUSQQSC-UYTSQGDYSA-N 1 3 289.423 1.216 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989734904 827015917 /nfs/dbraw/zinc/01/59/17/827015917.db2.gz JVLWDKOIFUOLFA-UHFFFAOYSA-N 1 3 293.455 1.973 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001021896325 827021478 /nfs/dbraw/zinc/02/14/78/827021478.db2.gz XZODAZQQIRJOBJ-GRYCIOLGSA-N 1 3 271.792 1.070 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828917 827059442 /nfs/dbraw/zinc/05/94/42/827059442.db2.gz JRHZJHLIOKUWKS-CABCVRRESA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985468905 827250888 /nfs/dbraw/zinc/25/08/88/827250888.db2.gz CFNDAAMMODCUFZ-MRXNPFEDSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985468905 827250907 /nfs/dbraw/zinc/25/09/07/827250907.db2.gz CFNDAAMMODCUFZ-MRXNPFEDSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036227442 827511440 /nfs/dbraw/zinc/51/14/40/827511440.db2.gz XTYNNMPNJSCTIE-HZPDHXFCSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266439192 894898048 /nfs/dbraw/zinc/89/80/48/894898048.db2.gz JNAJIVUVUGWYEZ-CABCVRRESA-N 1 3 281.444 1.633 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267067091 896674959 /nfs/dbraw/zinc/67/49/59/896674959.db2.gz NGIXNRFCZLBLJO-LSDHHAIUSA-N 1 3 281.444 1.587 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106783293 914296229 /nfs/dbraw/zinc/29/62/29/914296229.db2.gz KZNKBUUSTIGTCK-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167894728 901708705 /nfs/dbraw/zinc/70/87/05/901708705.db2.gz RLSIGVPRPBDTHP-UHFFFAOYSA-N 1 3 276.384 1.323 20 30 CDEDHO C=CCN1CCC[C@H]1C[NH2+]C1CCN(CCCOC)CC1 ZINC001172249751 911520544 /nfs/dbraw/zinc/52/05/44/911520544.db2.gz LDAOICIWJADDOB-KRWDZBQOSA-N 1 3 295.471 1.727 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181672768 917273600 /nfs/dbraw/zinc/27/36/00/917273600.db2.gz BWVJSBJNRILWSC-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072981947 936714459 /nfs/dbraw/zinc/71/44/59/936714459.db2.gz WQAQNPSDFIGTOG-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072981947 936714460 /nfs/dbraw/zinc/71/44/60/936714460.db2.gz WQAQNPSDFIGTOG-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626805 939620348 /nfs/dbraw/zinc/62/03/48/939620348.db2.gz JQVYIBXEEVXHQD-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543178 922628038 /nfs/dbraw/zinc/62/80/38/922628038.db2.gz KRZGNIDKKCUMCA-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCN(C)C ZINC001273712425 924813678 /nfs/dbraw/zinc/81/36/78/924813678.db2.gz VSZXJHBXASVHIB-KRWDZBQOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCN(C)C ZINC001273712425 924813684 /nfs/dbraw/zinc/81/36/84/924813684.db2.gz VSZXJHBXASVHIB-KRWDZBQOSA-N 1 3 293.455 1.971 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201327307 926265017 /nfs/dbraw/zinc/26/50/17/926265017.db2.gz KUKBXDLPAQOUIW-UHFFFAOYSA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201678813 926367794 /nfs/dbraw/zinc/36/77/94/926367794.db2.gz POACEZBOAKNQLC-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C(C)C)C2)CC1 ZINC001086278159 926929886 /nfs/dbraw/zinc/92/98/86/926929886.db2.gz JSYVJBPIPPNIJK-FZNQNYSPSA-N 1 3 291.439 1.224 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115306016 928562778 /nfs/dbraw/zinc/56/27/78/928562778.db2.gz HGMZVUNVABQFSI-JJXSEGSLSA-N 1 3 291.439 1.339 20 30 CDEDHO C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111949043 937258317 /nfs/dbraw/zinc/25/83/17/937258317.db2.gz KTBYABJKDIEBSP-RDJZCZTQSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111949043 937258321 /nfs/dbraw/zinc/25/83/21/937258321.db2.gz KTBYABJKDIEBSP-RDJZCZTQSA-N 1 3 291.439 1.322 20 30 CDEDHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC#CCN(C)C)c1 ZINC001120492817 937803426 /nfs/dbraw/zinc/80/34/26/937803426.db2.gz PMWTUYOUSCACDH-INIZCTEOSA-N 1 3 290.407 1.198 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114853750 935036481 /nfs/dbraw/zinc/03/64/81/935036481.db2.gz GQWYMYOZCWOGSA-LJISPDSOSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114853750 935036488 /nfs/dbraw/zinc/03/64/88/935036488.db2.gz GQWYMYOZCWOGSA-LJISPDSOSA-N 1 3 279.428 1.339 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079556 938580861 /nfs/dbraw/zinc/58/08/61/938580861.db2.gz GWLUOXZOUUMRJQ-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO C#CC[C@H](N)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424512 938902839 /nfs/dbraw/zinc/90/28/39/938902839.db2.gz KCCVYGOQNPUZHA-INIZCTEOSA-N 1 3 285.391 1.118 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166736432 939632950 /nfs/dbraw/zinc/63/29/50/939632950.db2.gz LBDVVSDUSAMAGN-UHFFFAOYSA-N 1 3 281.444 1.780 20 30 CDEDHO C#CCOc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206164242 939988220 /nfs/dbraw/zinc/98/82/20/939988220.db2.gz JVTKAQNNNFEFHY-JKSUJKDBSA-N 1 3 276.355 1.960 20 30 CDEDHO C#CCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206164242 939988223 /nfs/dbraw/zinc/98/82/23/939988223.db2.gz JVTKAQNNNFEFHY-JKSUJKDBSA-N 1 3 276.355 1.960 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339474 940321363 /nfs/dbraw/zinc/32/13/63/940321363.db2.gz AJLCJVTYKPYIMX-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631617 940619908 /nfs/dbraw/zinc/61/99/08/940619908.db2.gz FZTHSQUZMKSEHH-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209634086 940619918 /nfs/dbraw/zinc/61/99/18/940619918.db2.gz ZZNZVARGXGPJDA-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209660374 940624890 /nfs/dbraw/zinc/62/48/90/940624890.db2.gz QHZPMSUWQDNBBW-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210314897 940682506 /nfs/dbraw/zinc/68/25/06/940682506.db2.gz KKBLROSPGVBXDH-UKRRQHHQSA-N 1 3 264.369 1.017 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540775 940893310 /nfs/dbraw/zinc/89/33/10/940893310.db2.gz PRYZHYMJHXZNFC-RRFJBIMHSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215999180 940916089 /nfs/dbraw/zinc/91/60/89/940916089.db2.gz TYAMCIRXTYJAFU-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1=CC(=O)CCC1 ZINC001219885372 941393721 /nfs/dbraw/zinc/39/37/21/941393721.db2.gz NLWSJWHWZAPUES-AWEZNQCLSA-N 1 3 281.400 1.235 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC001220868082 941479058 /nfs/dbraw/zinc/47/90/58/941479058.db2.gz ARTIMTXRYQOXRE-AWEZNQCLSA-N 1 3 265.401 1.143 20 30 CDEDHO CC#CCN1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168389 941827680 /nfs/dbraw/zinc/82/76/80/941827680.db2.gz WCXPSTJWIJOGSO-INIZCTEOSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CCN1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168389 941827685 /nfs/dbraw/zinc/82/76/85/941827685.db2.gz WCXPSTJWIJOGSO-INIZCTEOSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCN1CCC[C@H]([NH2+][C@@H]2CCCN(C)CC2)C1=O ZINC001254510396 947472360 /nfs/dbraw/zinc/47/23/60/947472360.db2.gz VLFSIXPTUQYTFH-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@@H]1CC[C@@H](C#N)C1 ZINC001254646625 947568447 /nfs/dbraw/zinc/56/84/47/947568447.db2.gz NQFTUOHPZIAONO-JHJVBQTASA-N 1 3 296.415 1.858 20 30 CDEDHO CC1(C#N)CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618838 948352723 /nfs/dbraw/zinc/35/27/23/948352723.db2.gz NCXUWQWOKTUTSL-PYBGIAKNSA-N 1 3 276.428 1.485 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491811458 955477960 /nfs/dbraw/zinc/47/79/60/955477960.db2.gz XFDKRKGYGVOIKF-CVEARBPZSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC001341453093 963418854 /nfs/dbraw/zinc/41/88/54/963418854.db2.gz VXSAOFSGSFWDPO-STQMWFEESA-N 1 3 253.390 1.126 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341665842 963504840 /nfs/dbraw/zinc/50/48/40/963504840.db2.gz RAKISFQLAIQDNH-ZNMIVQPWSA-N 1 3 281.444 1.742 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341885309 963571262 /nfs/dbraw/zinc/57/12/62/963571262.db2.gz DJXHOYIZWGUTGY-VPTICVGPSA-N 1 3 251.374 1.056 20 30 CDEDHO CN(C)CC#CC[NH2+]C[C@H](O)CCc1ccccc1 ZINC001346236618 965003685 /nfs/dbraw/zinc/00/36/85/965003685.db2.gz JPOIHJCTGKZRAQ-MRXNPFEDSA-N 1 3 260.381 1.135 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001353536015 968054792 /nfs/dbraw/zinc/05/47/92/968054792.db2.gz XDXCZDWXPGRRPV-HNNXBMFYSA-N 1 3 297.443 1.287 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681853 968940045 /nfs/dbraw/zinc/94/00/45/968940045.db2.gz VQSBCUPJLLLTMJ-UHFFFAOYSA-N 1 3 293.455 1.472 20 30 CDEDHO CC1(C)CC[N@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC001355475784 969172303 /nfs/dbraw/zinc/17/23/03/969172303.db2.gz MQFPAABZBVVGMP-ZDUSSCGKSA-N 1 3 280.416 1.246 20 30 CDEDHO CC1(C)CC[N@@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC001355475784 969172309 /nfs/dbraw/zinc/17/23/09/969172309.db2.gz MQFPAABZBVVGMP-ZDUSSCGKSA-N 1 3 280.416 1.246 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001357363078 969576005 /nfs/dbraw/zinc/57/60/05/969576005.db2.gz VWOVGOGJTFSGCH-GXTWGEPZSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001357363078 969576012 /nfs/dbraw/zinc/57/60/12/969576012.db2.gz VWOVGOGJTFSGCH-GXTWGEPZSA-N 1 3 265.401 1.271 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001569683986 1169965941 /nfs/dbraw/zinc/96/59/41/1169965941.db2.gz VPKSFCUMRNAYPY-HOCLYGCPSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001574902599 1171043497 /nfs/dbraw/zinc/04/34/97/1171043497.db2.gz DCYSLUPVZGPHAW-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO CN1CC[C@]2(C1)CCC[N@H+](CCOCCC#N)C2 ZINC000595504992 343079505 /nfs/dbraw/zinc/07/95/05/343079505.db2.gz OJOMEHUYWNDXNC-AWEZNQCLSA-N 1 3 251.374 1.334 20 30 CDEDHO CN1CC[C@]2(C1)CCC[N@@H+](CCOCCC#N)C2 ZINC000595504992 343079507 /nfs/dbraw/zinc/07/95/07/343079507.db2.gz OJOMEHUYWNDXNC-AWEZNQCLSA-N 1 3 251.374 1.334 20 30 CDEDHO CCNC(=[NH2+])NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000083052692 342377378 /nfs/dbraw/zinc/37/73/78/342377378.db2.gz UTJJFBSFFKPLCY-CYBMUJFWSA-N 1 3 262.401 1.821 20 30 CDEDHO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000600734155 349877790 /nfs/dbraw/zinc/87/77/90/349877790.db2.gz FFMMAPGUYSPPBJ-DOTOQJQBSA-N 1 3 285.391 1.592 20 30 CDEDHO CC(C)[N@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000609921049 346041360 /nfs/dbraw/zinc/04/13/60/346041360.db2.gz GQKSHZQNVWKWNI-LBPRGKRZSA-N 1 3 251.374 1.725 20 30 CDEDHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000609921049 346041362 /nfs/dbraw/zinc/04/13/62/346041362.db2.gz GQKSHZQNVWKWNI-LBPRGKRZSA-N 1 3 251.374 1.725 20 30 CDEDHO C[NH+]1CCC(CCNCc2cccc(C#N)n2)CC1 ZINC000602543307 350123215 /nfs/dbraw/zinc/12/32/15/350123215.db2.gz AIITYJZUWXQSBE-UHFFFAOYSA-N 1 3 258.369 1.775 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1c[nH]nc1C ZINC000264112069 362970284 /nfs/dbraw/zinc/97/02/84/362970284.db2.gz PAYHLDJCTMWXJK-CQSZACIVSA-N 1 3 292.431 1.039 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000178818627 189148456 /nfs/dbraw/zinc/14/84/56/189148456.db2.gz CFGMMLOADRRZHR-INIZCTEOSA-N 1 3 287.407 1.843 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291514 375999576 /nfs/dbraw/zinc/99/95/76/375999576.db2.gz KHTWTGPFXOSYQU-MRXNPFEDSA-N 1 3 286.423 1.989 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417541452 377936715 /nfs/dbraw/zinc/93/67/15/377936715.db2.gz RKBZLOWMVOQBRN-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000152989412 390819162 /nfs/dbraw/zinc/81/91/62/390819162.db2.gz BAGDATFJORLFKH-HOCLYGCPSA-N 1 3 265.445 1.957 20 30 CDEDHO CC(C#N)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352437826 391137788 /nfs/dbraw/zinc/13/77/88/391137788.db2.gz ICNHDPQWJWPUJV-KBMXLJTQSA-N 1 3 283.375 1.736 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000417067385 391341838 /nfs/dbraw/zinc/34/18/38/391341838.db2.gz RDTCSQFFIWROMM-GJZGRUSLSA-N 1 3 296.459 1.674 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN(Cc3cccs3)C2)N1 ZINC000262685700 391812840 /nfs/dbraw/zinc/81/28/40/391812840.db2.gz YIFJCTGQSHYDLM-CHWSQXEVSA-N 1 3 292.452 1.897 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000649297197 391924395 /nfs/dbraw/zinc/92/43/95/391924395.db2.gz UVERJOQOWOYLJG-QXSJWSMHSA-N 1 3 291.439 1.267 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000044809919 175257471 /nfs/dbraw/zinc/25/74/71/175257471.db2.gz FQHOYBXRDORTEQ-ZDUSSCGKSA-N 1 3 259.353 1.784 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000044809919 175257472 /nfs/dbraw/zinc/25/74/72/175257472.db2.gz FQHOYBXRDORTEQ-ZDUSSCGKSA-N 1 3 259.353 1.784 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000069705424 260262530 /nfs/dbraw/zinc/26/25/30/260262530.db2.gz JVJQSHROCSLHRS-CQSZACIVSA-N 1 3 290.411 1.584 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000358792690 266492964 /nfs/dbraw/zinc/49/29/64/266492964.db2.gz WFDYNFYXDCEVQL-UHFFFAOYSA-N 1 3 294.443 1.422 20 30 CDEDHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCSCC2)(N(C)C)C1 ZINC000261976346 329993175 /nfs/dbraw/zinc/99/31/75/329993175.db2.gz GGOQVCDLCOJBJJ-UKRRQHHQSA-N 1 3 298.500 1.860 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422979620 330162527 /nfs/dbraw/zinc/16/25/27/330162527.db2.gz NFTJTQNCMRPWHQ-ZFWWWQNUSA-N 1 3 251.418 1.744 20 30 CDEDHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424085650 330223200 /nfs/dbraw/zinc/22/32/00/330223200.db2.gz ZIDOEYRDUJNIBU-MFKMUULPSA-N 1 3 260.341 1.666 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000424125921 330259109 /nfs/dbraw/zinc/25/91/09/330259109.db2.gz AXGKFRQTLWYEKK-LSDHHAIUSA-N 1 3 292.427 1.484 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000424135312 330269676 /nfs/dbraw/zinc/26/96/76/330269676.db2.gz OXBVWDGXNSLRCX-MGPQQGTHSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000424135312 330269678 /nfs/dbraw/zinc/26/96/78/330269678.db2.gz OXBVWDGXNSLRCX-MGPQQGTHSA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000424139300 330278981 /nfs/dbraw/zinc/27/89/81/330278981.db2.gz ADLXGOGTNNLASA-KBPBESRZSA-N 1 3 278.400 1.094 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424139485 330279029 /nfs/dbraw/zinc/27/90/29/330279029.db2.gz ANMCRVVQCOVBKQ-ZIAGYGMSSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424139485 330279030 /nfs/dbraw/zinc/27/90/30/330279030.db2.gz ANMCRVVQCOVBKQ-ZIAGYGMSSA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424144885 330289993 /nfs/dbraw/zinc/28/99/93/330289993.db2.gz MLKFKSXUOIWHBE-GJZGRUSLSA-N 1 3 292.427 1.342 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000490781173 332115682 /nfs/dbraw/zinc/11/56/82/332115682.db2.gz XWKSEONQBMZLPO-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C)CCCNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000491675938 332281550 /nfs/dbraw/zinc/28/15/50/332281550.db2.gz MYTSRFDOXXXVSU-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCN(C)CCCNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000491675938 332281551 /nfs/dbraw/zinc/28/15/51/332281551.db2.gz MYTSRFDOXXXVSU-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045438 333052987 /nfs/dbraw/zinc/05/29/87/333052987.db2.gz JZHMTCRFAHEZLA-ZFWWWQNUSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177045438 333052988 /nfs/dbraw/zinc/05/29/88/333052988.db2.gz JZHMTCRFAHEZLA-ZFWWWQNUSA-N 1 3 289.423 1.073 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764429282 575906513 /nfs/dbraw/zinc/90/65/13/575906513.db2.gz YKYCNVUSBQLRIS-OKILXGFUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764429282 575906514 /nfs/dbraw/zinc/90/65/14/575906514.db2.gz YKYCNVUSBQLRIS-OKILXGFUSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000969956506 612963995 /nfs/dbraw/zinc/96/39/95/612963995.db2.gz XOCAQHXHDOQDSC-CJNGLKHVSA-N 1 3 295.402 1.023 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971778593 613284649 /nfs/dbraw/zinc/28/46/49/613284649.db2.gz ONVIDVQOQRNIFO-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971778593 613284650 /nfs/dbraw/zinc/28/46/50/613284650.db2.gz ONVIDVQOQRNIFO-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948241170 613701725 /nfs/dbraw/zinc/70/17/25/613701725.db2.gz KSPFLEGJIVBXKK-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948241170 613701728 /nfs/dbraw/zinc/70/17/28/613701728.db2.gz KSPFLEGJIVBXKK-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126378 1164061552 /nfs/dbraw/zinc/06/15/52/1164061552.db2.gz NOWXTSIQCOBZJG-SJORKVTESA-N 1 3 299.418 1.061 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126378 1164061556 /nfs/dbraw/zinc/06/15/56/1164061556.db2.gz NOWXTSIQCOBZJG-SJORKVTESA-N 1 3 299.418 1.061 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743165 1164172872 /nfs/dbraw/zinc/17/28/72/1164172872.db2.gz GDXOSIVHRQXVHD-QWHCGFSZSA-N 1 3 255.406 1.387 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114426055 1164961752 /nfs/dbraw/zinc/96/17/52/1164961752.db2.gz JEFVRJMRNVJUBB-NYTXWWLZSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114426055 1164961758 /nfs/dbraw/zinc/96/17/58/1164961758.db2.gz JEFVRJMRNVJUBB-NYTXWWLZSA-N 1 3 277.412 1.093 20 30 CDEDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC001137120445 1166044049 /nfs/dbraw/zinc/04/40/49/1166044049.db2.gz NFDKYNDREDLOFZ-GASCZTMLSA-N 1 3 271.364 1.582 20 30 CDEDHO CN1C[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC001137120445 1166044055 /nfs/dbraw/zinc/04/40/55/1166044055.db2.gz NFDKYNDREDLOFZ-GASCZTMLSA-N 1 3 271.364 1.582 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001752814954 1184921230 /nfs/dbraw/zinc/92/12/30/1184921230.db2.gz KRRACEGEUBYCIM-HNNXBMFYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001753053789 1185024946 /nfs/dbraw/zinc/02/49/46/1185024946.db2.gz UKAVABYTHGUTPZ-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001753053789 1185024953 /nfs/dbraw/zinc/02/49/53/1185024953.db2.gz UKAVABYTHGUTPZ-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001753726262 1185318272 /nfs/dbraw/zinc/31/82/72/1185318272.db2.gz IIEFDDXMDDHXOL-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1 ZINC001754173034 1185491578 /nfs/dbraw/zinc/49/15/78/1185491578.db2.gz FUHOSLNTBAXAFH-ISZGNANSSA-N 1 3 265.401 1.166 20 30 CDEDHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001755573593 1185994674 /nfs/dbraw/zinc/99/46/74/1185994674.db2.gz USSFZAUDPYYTLY-JKSUJKDBSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262443 1164303338 /nfs/dbraw/zinc/30/33/38/1164303338.db2.gz HCFFYGIUDYUNIC-HUUCEWRRSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322485 833043948 /nfs/dbraw/zinc/04/39/48/833043948.db2.gz BZJSLJKIPYNRJV-HOCLYGCPSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580216 833305882 /nfs/dbraw/zinc/30/58/82/833305882.db2.gz SNQDWUVVHFBZFV-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580216 833305887 /nfs/dbraw/zinc/30/58/87/833305887.db2.gz SNQDWUVVHFBZFV-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO COCC[N@H+](C)CCCNC[C@H](O)c1ccc(C#N)cc1 ZINC000818953307 828876664 /nfs/dbraw/zinc/87/66/64/828876664.db2.gz FZOUJYVRJQJKGY-INIZCTEOSA-N 1 3 291.395 1.150 20 30 CDEDHO COCC[N@@H+](C)CCCNC[C@H](O)c1ccc(C#N)cc1 ZINC000818953307 828876669 /nfs/dbraw/zinc/87/66/69/828876669.db2.gz FZOUJYVRJQJKGY-INIZCTEOSA-N 1 3 291.395 1.150 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098650 833329870 /nfs/dbraw/zinc/32/98/70/833329870.db2.gz ITFJASAAHLLYHW-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033098650 833329872 /nfs/dbraw/zinc/32/98/72/833329872.db2.gz ITFJASAAHLLYHW-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487558 828945542 /nfs/dbraw/zinc/94/55/42/828945542.db2.gz OOHRGDAKNSXRQH-AWEZNQCLSA-N 1 3 277.412 1.239 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999405192 829242454 /nfs/dbraw/zinc/24/24/54/829242454.db2.gz COJJRVFQOGQUIK-HSBZDZAISA-N 1 3 265.401 1.236 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000996993896 829499996 /nfs/dbraw/zinc/49/99/96/829499996.db2.gz GWBPRZQOFNBGMW-GFCCVEGCSA-N 1 3 299.846 1.661 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccco1 ZINC000303793074 829552143 /nfs/dbraw/zinc/55/21/43/829552143.db2.gz YYRZGFFLHQDVFS-GFCCVEGCSA-N 1 3 264.373 1.211 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591164 829687181 /nfs/dbraw/zinc/68/71/81/829687181.db2.gz FJUJSBHUQVJTRR-HOTGVXAUSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028591164 829687226 /nfs/dbraw/zinc/68/72/26/829687226.db2.gz FJUJSBHUQVJTRR-HOTGVXAUSA-N 1 3 291.439 1.036 20 30 CDEDHO C[C@@H]1CCC[C@](C[NH+]=C(N(C)C)N(C)C)(N(C)C)C1 ZINC000261998735 830034371 /nfs/dbraw/zinc/03/43/71/830034371.db2.gz OPKGKHZTEDNXGS-HIFRSBDPSA-N 1 3 268.449 1.976 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052899521 830115013 /nfs/dbraw/zinc/11/50/13/830115013.db2.gz UWNMDGGDTSVHJI-CQSZACIVSA-N 1 3 290.411 1.807 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052899521 830115015 /nfs/dbraw/zinc/11/50/15/830115015.db2.gz UWNMDGGDTSVHJI-CQSZACIVSA-N 1 3 290.411 1.807 20 30 CDEDHO CCCCCCCCNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019047 830209556 /nfs/dbraw/zinc/20/95/56/830209556.db2.gz DDQZUEDRBGBVIA-OAHLLOKOSA-N 1 3 284.448 1.527 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409789 830221194 /nfs/dbraw/zinc/22/11/94/830221194.db2.gz NUHHOQRSQYAPDP-HOTGVXAUSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409789 830221206 /nfs/dbraw/zinc/22/12/06/830221206.db2.gz NUHHOQRSQYAPDP-HOTGVXAUSA-N 1 3 291.439 1.415 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001022107367 830508825 /nfs/dbraw/zinc/50/88/25/830508825.db2.gz VVDDLUXEFOGPMH-RFQIPJPRSA-N 1 3 299.846 1.706 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001022107367 830508836 /nfs/dbraw/zinc/50/88/36/830508836.db2.gz VVDDLUXEFOGPMH-RFQIPJPRSA-N 1 3 299.846 1.706 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044859024 833659915 /nfs/dbraw/zinc/65/99/15/833659915.db2.gz YWTPYSQVWVAQMI-ZIAGYGMSSA-N 1 3 299.846 1.804 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576138 833649162 /nfs/dbraw/zinc/64/91/62/833649162.db2.gz KYXMYSARYBWBQM-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576138 833649186 /nfs/dbraw/zinc/64/91/86/833649186.db2.gz KYXMYSARYBWBQM-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000838520105 832216835 /nfs/dbraw/zinc/21/68/35/832216835.db2.gz XIWVONKMQAWCRX-OAHLLOKOSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CCN1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290928 833973677 /nfs/dbraw/zinc/97/36/77/833973677.db2.gz KMODQLMBDAPONN-HNNXBMFYSA-N 1 3 296.374 1.552 20 30 CDEDHO CC(C)NC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000198936858 832831290 /nfs/dbraw/zinc/83/12/90/832831290.db2.gz AZPFUXVQEVBTMD-JSGCOSHPSA-N 1 3 254.422 1.810 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029004069 833888610 /nfs/dbraw/zinc/88/86/10/833888610.db2.gz SPBGPLHBCRXUIK-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029004069 833888611 /nfs/dbraw/zinc/88/86/11/833888611.db2.gz SPBGPLHBCRXUIK-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993930498 834026263 /nfs/dbraw/zinc/02/62/63/834026263.db2.gz QHWGHXQSWFYFPX-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580217 834332513 /nfs/dbraw/zinc/33/25/13/834332513.db2.gz SNQDWUVVHFBZFV-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580217 834332522 /nfs/dbraw/zinc/33/25/22/834332522.db2.gz SNQDWUVVHFBZFV-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054664955 834738197 /nfs/dbraw/zinc/73/81/97/834738197.db2.gz ZDISHGRTOBLYFK-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996977904 835373430 /nfs/dbraw/zinc/37/34/30/835373430.db2.gz LEZZXGLWIQEKNY-CQSZACIVSA-N 1 3 267.417 1.339 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925892901 835478134 /nfs/dbraw/zinc/47/81/34/835478134.db2.gz HQODNIFBBMKWQW-CHWSQXEVSA-N 1 3 259.357 1.082 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001022070582 835629256 /nfs/dbraw/zinc/62/92/56/835629256.db2.gz XCNGGOBDSDHIOP-HZSPNIEDSA-N 1 3 265.401 1.282 20 30 CDEDHO CC#CC[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001574971887 1167644006 /nfs/dbraw/zinc/64/40/06/1167644006.db2.gz JFNLMUNQGKLUMK-LSDHHAIUSA-N 1 3 279.428 1.498 20 30 CDEDHO CC#CC[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001574971887 1167644009 /nfs/dbraw/zinc/64/40/09/1167644009.db2.gz JFNLMUNQGKLUMK-LSDHHAIUSA-N 1 3 279.428 1.498 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114990250 896648609 /nfs/dbraw/zinc/64/86/09/896648609.db2.gz ZWEXYLQKXKARMG-FXUDXRNXSA-N 1 3 293.455 1.585 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665504 914116028 /nfs/dbraw/zinc/11/60/28/914116028.db2.gz ZDCOWAAUAXPTOK-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676357 898873461 /nfs/dbraw/zinc/87/34/61/898873461.db2.gz GQMCKJOAVTXEPE-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986243 914415285 /nfs/dbraw/zinc/41/52/85/914415285.db2.gz ITNQIYXZUKQAPD-CYBMUJFWSA-N 1 3 287.835 1.709 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027629613 900690221 /nfs/dbraw/zinc/69/02/21/900690221.db2.gz YYWGXIYAXVTZFF-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027629613 900690224 /nfs/dbraw/zinc/69/02/24/900690224.db2.gz YYWGXIYAXVTZFF-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168135660 907357289 /nfs/dbraw/zinc/35/72/89/907357289.db2.gz BAIPBZFPKZPLCO-ZDUSSCGKSA-N 1 3 299.846 1.567 20 30 CDEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168135660 907357310 /nfs/dbraw/zinc/35/73/10/907357310.db2.gz BAIPBZFPKZPLCO-ZDUSSCGKSA-N 1 3 299.846 1.567 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741933 918116135 /nfs/dbraw/zinc/11/61/35/918116135.db2.gz YAEPWEFZZKRLQJ-CZUORRHYSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185659726 919698195 /nfs/dbraw/zinc/69/81/95/919698195.db2.gz PJZXJCGDISISGQ-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203104025 936830334 /nfs/dbraw/zinc/83/03/34/936830334.db2.gz PKUXXTQKTADCKQ-KBPBESRZSA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443631 936972105 /nfs/dbraw/zinc/97/21/05/936972105.db2.gz MCJWLPFOKUWEBO-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443631 936972108 /nfs/dbraw/zinc/97/21/08/936972108.db2.gz MCJWLPFOKUWEBO-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197899384 925264142 /nfs/dbraw/zinc/26/41/42/925264142.db2.gz WRNGEVOSHBXEGS-UHFFFAOYSA-N 1 3 281.444 1.829 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197899384 925264150 /nfs/dbraw/zinc/26/41/50/925264150.db2.gz WRNGEVOSHBXEGS-UHFFFAOYSA-N 1 3 281.444 1.829 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103756244 937154118 /nfs/dbraw/zinc/15/41/18/937154118.db2.gz YPNYDJPERZIIHH-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103756244 937154121 /nfs/dbraw/zinc/15/41/21/937154121.db2.gz YPNYDJPERZIIHH-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)CCC=C)CC1 ZINC001152324326 937353907 /nfs/dbraw/zinc/35/39/07/937353907.db2.gz QJHOUVPJIJBAIH-OAHLLOKOSA-N 1 3 291.439 1.392 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCCC1 ZINC001115713437 937414873 /nfs/dbraw/zinc/41/48/73/937414873.db2.gz NTBIKRLCCMKPGZ-OAHLLOKOSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246651 937863684 /nfs/dbraw/zinc/86/36/84/937863684.db2.gz QJQWQOUELXMCQB-UKEPKTAJSA-N 1 3 291.439 1.530 20 30 CDEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628522 938742591 /nfs/dbraw/zinc/74/25/91/938742591.db2.gz LAOPPRWRXRKBQQ-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628522 938742593 /nfs/dbraw/zinc/74/25/93/938742593.db2.gz LAOPPRWRXRKBQQ-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677555 939625516 /nfs/dbraw/zinc/62/55/16/939625516.db2.gz JYCZMXWTZKBTGS-CABCVRRESA-N 1 3 281.444 1.779 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631616 940620039 /nfs/dbraw/zinc/62/00/39/940620039.db2.gz FZTHSQUZMKSEHH-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO Cc1cc(C#N)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)s1 ZINC001218554461 941235592 /nfs/dbraw/zinc/23/55/92/941235592.db2.gz JRUMQNSGNMLCAD-LLVKDONJSA-N 1 3 278.381 1.194 20 30 CDEDHO N#Cc1ccc(F)c(F)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219314690 941329790 /nfs/dbraw/zinc/32/97/90/941329790.db2.gz MCDLWYMVYYAMKE-GFCCVEGCSA-N 1 3 294.305 1.102 20 30 CDEDHO N#Cc1ccc(NC(=O)[C@H](N)CCC[NH3+])c2cccnc12 ZINC001219466193 941349001 /nfs/dbraw/zinc/34/90/01/941349001.db2.gz YRELUXMHLDFPNJ-GFCCVEGCSA-N 1 3 283.335 1.111 20 30 CDEDHO C=CCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228879126 942387798 /nfs/dbraw/zinc/38/77/98/942387798.db2.gz FDDHLFKGCBZTMT-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO N#Cc1ccc2nc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cn2c1 ZINC001236320836 944468840 /nfs/dbraw/zinc/46/88/40/944468840.db2.gz KNHXAVBEXOIQNR-GASCZTMLSA-N 1 3 295.390 1.637 20 30 CDEDHO C[C@@H](Cc1cccc(C#N)c1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859411 948484252 /nfs/dbraw/zinc/48/42/52/948484252.db2.gz KQDQPAOZGDSWBV-QIXHYMPYSA-N 1 3 285.391 1.395 20 30 CDEDHO C#CC1([NH2+]C[C@H](O)CN(CC)CC)CCCCC1 ZINC001253215667 951816966 /nfs/dbraw/zinc/81/69/66/951816966.db2.gz YSVCWKHJZBOZFA-AWEZNQCLSA-N 1 3 252.402 1.615 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001368715394 959073704 /nfs/dbraw/zinc/07/37/04/959073704.db2.gz BQOGUZORHSXUPY-LBPRGKRZSA-N 1 3 287.835 1.708 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC001340484076 962963023 /nfs/dbraw/zinc/96/30/23/962963023.db2.gz NXMVIPCLKIKPOT-CABCVRRESA-N 1 3 293.455 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001342144815 963654786 /nfs/dbraw/zinc/65/47/86/963654786.db2.gz MWNVQOURWRKAHS-LSDHHAIUSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC001353468496 968000629 /nfs/dbraw/zinc/00/06/29/968000629.db2.gz DNBNIIAQNSVHOW-ZIAGYGMSSA-N 1 3 267.417 1.613 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001374032560 973743159 /nfs/dbraw/zinc/74/31/59/973743159.db2.gz ZSLLGCAHGWGNJT-NSHDSACASA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135061 1163579848 /nfs/dbraw/zinc/57/98/48/1163579848.db2.gz KZLUXGGQGUTGKC-KBPBESRZSA-N 1 3 290.411 1.603 20 30 CDEDHO C=C[C@H](CO)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995668 197555762 /nfs/dbraw/zinc/55/57/62/197555762.db2.gz YUGNFAVVXBPBOQ-UKRRQHHQSA-N 1 3 278.396 1.825 20 30 CDEDHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594438594 342906203 /nfs/dbraw/zinc/90/62/03/342906203.db2.gz KLLQTGCFDLDPPO-LSDHHAIUSA-N 1 3 294.443 1.588 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@H](C[NH3+])OC)C(C)C ZINC000278336763 359579929 /nfs/dbraw/zinc/57/99/29/359579929.db2.gz XAUYXPVYNBAMRQ-CABCVRRESA-N 1 3 297.443 1.165 20 30 CDEDHO CC#CCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157922630 361050496 /nfs/dbraw/zinc/05/04/96/361050496.db2.gz BOHPFAYKXYIKCY-GASCZTMLSA-N 1 3 264.413 1.831 20 30 CDEDHO CC#CCN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157922630 361050500 /nfs/dbraw/zinc/05/05/00/361050500.db2.gz BOHPFAYKXYIKCY-GASCZTMLSA-N 1 3 264.413 1.831 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000529304944 368072011 /nfs/dbraw/zinc/07/20/11/368072011.db2.gz GSVADUIEHMOPRA-HNNXBMFYSA-N 1 3 294.443 1.276 20 30 CDEDHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000448422561 261150145 /nfs/dbraw/zinc/15/01/45/261150145.db2.gz YFBJIQFOIZNCAY-STQMWFEESA-N 1 3 251.374 1.630 20 30 CDEDHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000448422561 261150146 /nfs/dbraw/zinc/15/01/46/261150146.db2.gz YFBJIQFOIZNCAY-STQMWFEESA-N 1 3 251.374 1.630 20 30 CDEDHO C=CCN1CCC(NC(=O)N(CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000417534269 377875933 /nfs/dbraw/zinc/87/59/33/377875933.db2.gz VVVGGMAUDLAIRS-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC[NH3+])C(C)C ZINC000417058148 391341175 /nfs/dbraw/zinc/34/11/75/391341175.db2.gz DRDMWJYYLIDZBP-AWEZNQCLSA-N 1 3 282.432 1.285 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(C)C ZINC000649297071 391924409 /nfs/dbraw/zinc/92/44/09/391924409.db2.gz DRQGJXMMEMZMCR-WCVJEAGWSA-N 1 3 291.439 1.552 20 30 CDEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)COC ZINC000661241473 413913257 /nfs/dbraw/zinc/91/32/57/413913257.db2.gz YVPLWVIEPJQXKQ-QGZVFWFLSA-N 1 3 297.487 1.925 20 30 CDEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)COC ZINC000661241473 413913262 /nfs/dbraw/zinc/91/32/62/413913262.db2.gz YVPLWVIEPJQXKQ-QGZVFWFLSA-N 1 3 297.487 1.925 20 30 CDEDHO C=CCCn1cc(CNCCCC[NH+](C)C)nn1 ZINC000657335098 414190119 /nfs/dbraw/zinc/19/01/19/414190119.db2.gz LJOATDNJXFNQEA-UHFFFAOYSA-N 1 3 251.378 1.286 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000357793858 266363361 /nfs/dbraw/zinc/36/33/61/266363361.db2.gz CAYZAZNJSHAYND-VXGBXAGGSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000357793858 266363364 /nfs/dbraw/zinc/36/33/64/266363364.db2.gz CAYZAZNJSHAYND-VXGBXAGGSA-N 1 3 251.374 1.773 20 30 CDEDHO C=C(C)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368823998 267208126 /nfs/dbraw/zinc/20/81/26/267208126.db2.gz OSTBYSBFOYLMJV-UHFFFAOYSA-N 1 3 265.445 1.912 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1C ZINC000267395166 328177999 /nfs/dbraw/zinc/17/79/99/328177999.db2.gz DWDZDRFZZVFWAG-CYBMUJFWSA-N 1 3 275.400 1.279 20 30 CDEDHO C[C@H]1CCC[C@@](CNC2=[NH+]CCN2C)(N(C)C)C1 ZINC000261588684 329972063 /nfs/dbraw/zinc/97/20/63/329972063.db2.gz VVYIHYKGKFJPKZ-GXTWGEPZSA-N 1 3 252.406 1.388 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCC[C@H]1O ZINC000262430828 330010298 /nfs/dbraw/zinc/01/02/98/330010298.db2.gz OIIDFVLGJFDGNM-IIAWOOMASA-N 1 3 296.459 1.316 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC(C)(C)N2CCC[C@H](C)C2)N1 ZINC000262648903 330024435 /nfs/dbraw/zinc/02/44/35/330024435.db2.gz JZMNFELCVVFBKU-NWDGAFQWSA-N 1 3 252.406 1.434 20 30 CDEDHO C=C(C)CN1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422981196 330162404 /nfs/dbraw/zinc/16/24/04/330162404.db2.gz SFKRWVABJAXOFQ-HIFRSBDPSA-N 1 3 251.418 1.757 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000424056773 330218480 /nfs/dbraw/zinc/21/84/80/330218480.db2.gz HWUBAUYHDVXUGT-LBPRGKRZSA-N 1 3 266.389 1.175 20 30 CDEDHO CCC[NH+]1CCC(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424158584 330305560 /nfs/dbraw/zinc/30/55/60/330305560.db2.gz RHQKBUNOSDXQDW-CQSZACIVSA-N 1 3 280.416 1.246 20 30 CDEDHO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000424177149 330317595 /nfs/dbraw/zinc/31/75/95/330317595.db2.gz POSVNEANDRXGTL-ZDUSSCGKSA-N 1 3 288.351 1.128 20 30 CDEDHO C=CC[C@H](CO)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459460170 331282501 /nfs/dbraw/zinc/28/25/01/331282501.db2.gz IWCSRVWFPHLFCQ-AWEZNQCLSA-N 1 3 275.396 1.825 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@@H]2CCN(Cc3ccccc3)C2)N1 ZINC000261540830 334192021 /nfs/dbraw/zinc/19/20/21/334192021.db2.gz FIBXWUXVAANKRT-ZFWWWQNUSA-N 1 3 272.396 1.446 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001270293224 1160100991 /nfs/dbraw/zinc/10/09/91/1160100991.db2.gz LMUKWYJPNNKDHR-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000763970947 576769553 /nfs/dbraw/zinc/76/95/53/576769553.db2.gz JIGBQUOHOKTAJZ-UHFFFAOYSA-N 1 3 289.423 1.743 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000763970947 576769555 /nfs/dbraw/zinc/76/95/55/576769555.db2.gz JIGBQUOHOKTAJZ-UHFFFAOYSA-N 1 3 289.423 1.743 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604088 613038200 /nfs/dbraw/zinc/03/82/00/613038200.db2.gz FCQOTCJWRPMUPK-KFWWJZLASA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604088 613038202 /nfs/dbraw/zinc/03/82/02/613038202.db2.gz FCQOTCJWRPMUPK-KFWWJZLASA-N 1 3 291.439 1.177 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330430 613283481 /nfs/dbraw/zinc/28/34/81/613283481.db2.gz GFTGDJVPWQQUHL-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330430 613283482 /nfs/dbraw/zinc/28/34/82/613283482.db2.gz GFTGDJVPWQQUHL-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC000960174652 613345270 /nfs/dbraw/zinc/34/52/70/613345270.db2.gz KNHNEUXLNQZSMX-QXSJWSMHSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC000960174652 613345271 /nfs/dbraw/zinc/34/52/71/613345271.db2.gz KNHNEUXLNQZSMX-QXSJWSMHSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(CC)[C@@H]2CC[NH2+]C2)CC1 ZINC000891520212 617458415 /nfs/dbraw/zinc/45/84/15/617458415.db2.gz GGTIFCNFANSERD-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911833605 629564053 /nfs/dbraw/zinc/56/40/53/629564053.db2.gz YUJUVNWQTKYJSE-GXTWGEPZSA-N 1 3 255.406 1.550 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130424969 1162622960 /nfs/dbraw/zinc/62/29/60/1162622960.db2.gz JFJOFFYGYDFXHS-UHFFFAOYSA-N 1 3 255.406 1.389 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086364561 1161973889 /nfs/dbraw/zinc/97/38/89/1161973889.db2.gz JOCWCDVNVXEKQP-JYJNAYRXSA-N 1 3 293.455 1.920 20 30 CDEDHO N#Cc1ccc(C(=O)N2CCC(NC3(C[NH3+])CC3)CC2)cc1 ZINC001173429586 1164294985 /nfs/dbraw/zinc/29/49/85/1164294985.db2.gz SDNHGXSWLHSIOI-UHFFFAOYSA-N 1 3 298.390 1.244 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631379 1167269286 /nfs/dbraw/zinc/26/92/86/1167269286.db2.gz PFQGTRXEVDNFLV-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN(C)CCCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC001574605198 1170995824 /nfs/dbraw/zinc/99/58/24/1170995824.db2.gz YQXGHLAIPNXNBU-MRXNPFEDSA-N 1 3 287.407 1.018 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753084734 1185049380 /nfs/dbraw/zinc/04/93/80/1185049380.db2.gz BEKCGPNGZMSBTF-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753084734 1185049385 /nfs/dbraw/zinc/04/93/85/1185049385.db2.gz BEKCGPNGZMSBTF-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CC[NH2+]CC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001754025219 1185430223 /nfs/dbraw/zinc/43/02/23/1185430223.db2.gz HDVPVMVAIOOPAI-AWEZNQCLSA-N 1 3 287.407 1.479 20 30 CDEDHO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001754325832 1185578461 /nfs/dbraw/zinc/57/84/61/1185578461.db2.gz WUIINORTEBCSTK-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001754325832 1185578452 /nfs/dbraw/zinc/57/84/52/1185578452.db2.gz WUIINORTEBCSTK-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001755386848 1185937230 /nfs/dbraw/zinc/93/72/30/1185937230.db2.gz WFZWVUDEDSBJRE-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743164 1164172970 /nfs/dbraw/zinc/17/29/70/1164172970.db2.gz GDXOSIVHRQXVHD-OLZOCXBDSA-N 1 3 255.406 1.387 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049895950 837766233 /nfs/dbraw/zinc/76/62/33/837766233.db2.gz LARRIJQOGUUZMC-HRCADAONSA-N 1 3 289.423 1.027 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049895950 837766244 /nfs/dbraw/zinc/76/62/44/837766244.db2.gz LARRIJQOGUUZMC-HRCADAONSA-N 1 3 289.423 1.027 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697958 836388070 /nfs/dbraw/zinc/38/80/70/836388070.db2.gz LZVSJPMWFQOULQ-OWCLPIDISA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697958 836388081 /nfs/dbraw/zinc/38/80/81/836388081.db2.gz LZVSJPMWFQOULQ-OWCLPIDISA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697958 836388089 /nfs/dbraw/zinc/38/80/89/836388089.db2.gz LZVSJPMWFQOULQ-OWCLPIDISA-N 1 3 293.455 1.824 20 30 CDEDHO CC[N@@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166100 836494475 /nfs/dbraw/zinc/49/44/75/836494475.db2.gz UBGBRNDVBAQTJX-HIFRSBDPSA-N 1 3 287.411 1.685 20 30 CDEDHO CC[N@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166100 836494482 /nfs/dbraw/zinc/49/44/82/836494482.db2.gz UBGBRNDVBAQTJX-HIFRSBDPSA-N 1 3 287.411 1.685 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596508 836700474 /nfs/dbraw/zinc/70/04/74/836700474.db2.gz CDICVVOGGYRHTL-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015596508 836700508 /nfs/dbraw/zinc/70/05/08/836700508.db2.gz CDICVVOGGYRHTL-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCO[C@H](C)C1 ZINC000261999262 836850480 /nfs/dbraw/zinc/85/04/80/836850480.db2.gz PARVPVRQSXGELU-HZSPNIEDSA-N 1 3 282.432 1.190 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001020980511 837264346 /nfs/dbraw/zinc/26/43/46/837264346.db2.gz LPECZENAUQQQQA-HAQNSBGRSA-N 1 3 262.357 1.074 20 30 CDEDHO CN(C)C(=[NH+]CC(C)(C)N1CCCCC1)N(C)C ZINC000262237569 837292071 /nfs/dbraw/zinc/29/20/71/837292071.db2.gz HLMUXAQIZUMKPB-UHFFFAOYSA-N 1 3 254.422 1.730 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041404396 837857282 /nfs/dbraw/zinc/85/72/82/837857282.db2.gz SWVMTGLFKSZNBK-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041404396 837857284 /nfs/dbraw/zinc/85/72/84/837857284.db2.gz SWVMTGLFKSZNBK-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080570 837970468 /nfs/dbraw/zinc/97/04/68/837970468.db2.gz FSCHYQPJKWBMDQ-JKSUJKDBSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033080570 837970490 /nfs/dbraw/zinc/97/04/90/837970490.db2.gz FSCHYQPJKWBMDQ-JKSUJKDBSA-N 1 3 291.439 1.415 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303773206 838975971 /nfs/dbraw/zinc/97/59/71/838975971.db2.gz FGKIDKLVUXTKRN-LBPRGKRZSA-N 1 3 270.421 1.190 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845911 839039962 /nfs/dbraw/zinc/03/99/62/839039962.db2.gz TUQOVLQYDCRRBJ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845911 839039969 /nfs/dbraw/zinc/03/99/69/839039969.db2.gz TUQOVLQYDCRRBJ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845911 839039994 /nfs/dbraw/zinc/03/99/94/839039994.db2.gz TUQOVLQYDCRRBJ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845911 839040007 /nfs/dbraw/zinc/04/00/07/839040007.db2.gz TUQOVLQYDCRRBJ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041678188 839139531 /nfs/dbraw/zinc/13/95/31/839139531.db2.gz HCLZMBPNVLWILU-NVXWUHKLSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041678188 839139536 /nfs/dbraw/zinc/13/95/36/839139536.db2.gz HCLZMBPNVLWILU-NVXWUHKLSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001007645143 839226026 /nfs/dbraw/zinc/22/60/26/839226026.db2.gz LRESCBGBGMTFGM-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001007645143 839226033 /nfs/dbraw/zinc/22/60/33/839226033.db2.gz LRESCBGBGMTFGM-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001037936178 839227585 /nfs/dbraw/zinc/22/75/85/839227585.db2.gz UMQCEBXAIFPITJ-HIFRSBDPSA-N 1 3 290.411 1.745 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766995 840024036 /nfs/dbraw/zinc/02/40/36/840024036.db2.gz WUCXGBXWCYPZJH-KCYZZUKISA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766995 840024041 /nfs/dbraw/zinc/02/40/41/840024041.db2.gz WUCXGBXWCYPZJH-KCYZZUKISA-N 1 3 289.423 1.073 20 30 CDEDHO CCOC1CC(CCNC(=[NH2+])NC[C@@H]2CCCN2CC)C1 ZINC000190136769 840058129 /nfs/dbraw/zinc/05/81/29/840058129.db2.gz PLEXRFSVFGEVNK-SLTAFYQDSA-N 1 3 296.459 1.580 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996996148 840132786 /nfs/dbraw/zinc/13/27/86/840132786.db2.gz VEZUOZVOEUTQPW-CYBMUJFWSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989491425 841664206 /nfs/dbraw/zinc/66/42/06/841664206.db2.gz GKCPORUCFUACNC-YPMHNXCESA-N 1 3 262.357 1.107 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005998762 841713187 /nfs/dbraw/zinc/71/31/87/841713187.db2.gz VFKDSPAZOKOAQV-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001005998762 841713197 /nfs/dbraw/zinc/71/31/97/841713197.db2.gz VFKDSPAZOKOAQV-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000037887422 841818198 /nfs/dbraw/zinc/81/81/98/841818198.db2.gz SFHBCZARNWIICU-HNNXBMFYSA-N 1 3 259.353 1.275 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000303263641 841829063 /nfs/dbraw/zinc/82/90/63/841829063.db2.gz RGNBVSWXWBRPNA-AGIUHOORSA-N 1 3 254.422 1.810 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995897936 841841258 /nfs/dbraw/zinc/84/12/58/841841258.db2.gz SLCLKDLHJFXOLM-CYBMUJFWSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027442526 841967824 /nfs/dbraw/zinc/96/78/24/841967824.db2.gz WVUVHXJWTXAZMP-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027442526 841967828 /nfs/dbraw/zinc/96/78/28/841967828.db2.gz WVUVHXJWTXAZMP-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC000995876861 842065081 /nfs/dbraw/zinc/06/50/81/842065081.db2.gz BEUKDBPXWBROLN-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045554190 842568307 /nfs/dbraw/zinc/56/83/07/842568307.db2.gz PNNDSFYFYWWMQJ-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045554190 842568324 /nfs/dbraw/zinc/56/83/24/842568324.db2.gz PNNDSFYFYWWMQJ-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC)C2)CC1 ZINC000995231594 842818920 /nfs/dbraw/zinc/81/89/20/842818920.db2.gz NJEGBQQFLNILQW-GDBMZVCRSA-N 1 3 291.439 1.226 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225418 894905875 /nfs/dbraw/zinc/90/58/75/894905875.db2.gz UUAXLXYOJYSCBF-HNNXBMFYSA-N 1 3 293.455 1.923 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350266 914081867 /nfs/dbraw/zinc/08/18/67/914081867.db2.gz APFHLSVRSMLOAJ-GFCCVEGCSA-N 1 3 276.384 1.158 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC(=C)Cl)CC1 ZINC001176925772 914361129 /nfs/dbraw/zinc/36/11/29/914361129.db2.gz BBXAQLUZXSUOCV-UHFFFAOYSA-N 1 3 297.830 1.180 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167835679 901258839 /nfs/dbraw/zinc/25/88/39/901258839.db2.gz KVUZPZSDHFGSRW-UHFFFAOYSA-N 1 3 281.444 1.780 20 30 CDEDHO C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)[C@H](C)C1 ZINC001093224920 909702639 /nfs/dbraw/zinc/70/26/39/909702639.db2.gz GUKDDLRBFYBAMY-OAGGEKHMSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)[C@H](C)C1 ZINC001093224920 909702643 /nfs/dbraw/zinc/70/26/43/909702643.db2.gz GUKDDLRBFYBAMY-OAGGEKHMSA-N 1 3 291.439 1.178 20 30 CDEDHO C[NH+](C)CCNC(=O)C(C#N)Cc1cccs1 ZINC001177905231 915016867 /nfs/dbraw/zinc/01/68/67/915016867.db2.gz SFXUNCHZSPJGTL-JTQLQIEISA-N 1 3 251.355 1.108 20 30 CDEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206454796 917136074 /nfs/dbraw/zinc/13/60/74/917136074.db2.gz GVIKJBRNKSBFIN-QLFBSQMISA-N 1 3 250.386 1.540 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228397 918371595 /nfs/dbraw/zinc/37/15/95/918371595.db2.gz HDUMDAXQYGUCJA-NVXWUHKLSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187291162 920456773 /nfs/dbraw/zinc/45/67/73/920456773.db2.gz LCHMJTUUAQAFQU-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028381 936706627 /nfs/dbraw/zinc/70/66/27/936706627.db2.gz MUMCFPPCOYKSDE-ZIAGYGMSSA-N 1 3 291.439 1.674 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098219661 936746845 /nfs/dbraw/zinc/74/68/45/936746845.db2.gz OLKUEKBDHZQJPM-FPCVCCKLSA-N 1 3 291.439 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098219661 936746847 /nfs/dbraw/zinc/74/68/47/936746847.db2.gz OLKUEKBDHZQJPM-FPCVCCKLSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550729 923125808 /nfs/dbraw/zinc/12/58/08/923125808.db2.gz LAYYVRHDTCOOOY-DZGCQCFKSA-N 1 3 290.411 1.840 20 30 CDEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550729 923125818 /nfs/dbraw/zinc/12/58/18/923125818.db2.gz LAYYVRHDTCOOOY-DZGCQCFKSA-N 1 3 290.411 1.840 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597835 926199601 /nfs/dbraw/zinc/19/96/01/926199601.db2.gz GYKIGEWKLDXZBQ-JKSUJKDBSA-N 1 3 291.439 1.437 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149989 926205380 /nfs/dbraw/zinc/20/53/80/926205380.db2.gz RPVSXQNXOJOLJQ-HNNXBMFYSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCN1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151308383 937278660 /nfs/dbraw/zinc/27/86/60/937278660.db2.gz PAPTXUUPLNWZIF-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCOCC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135437068 930204199 /nfs/dbraw/zinc/20/41/99/930204199.db2.gz MEQRCXMZTHURLY-UHFFFAOYSA-N 1 3 299.459 1.407 20 30 CDEDHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135511649 930242110 /nfs/dbraw/zinc/24/21/10/930242110.db2.gz XABPEXWYGPRPDT-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO CCCCCCCC[C@@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021982 930871704 /nfs/dbraw/zinc/87/17/04/930871704.db2.gz NXGKSOJWPGLHAJ-RRFJBIMHSA-N 1 3 272.433 1.349 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146599337 932269961 /nfs/dbraw/zinc/26/99/61/932269961.db2.gz AXGYEFZCRAVINM-UONOGXRCSA-N 1 3 267.417 1.223 20 30 CDEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651518 932759878 /nfs/dbraw/zinc/75/98/78/932759878.db2.gz HLGKHYCUHPKFCR-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148651518 932759880 /nfs/dbraw/zinc/75/98/80/932759880.db2.gz HLGKHYCUHPKFCR-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237999 937652481 /nfs/dbraw/zinc/65/24/81/937652481.db2.gz UANUMONGBRMHKR-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237999 937652482 /nfs/dbraw/zinc/65/24/82/937652482.db2.gz UANUMONGBRMHKR-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626257 934864136 /nfs/dbraw/zinc/86/41/36/934864136.db2.gz BGHNFQGDGIMSBR-FOLVSLTJSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519107 938794314 /nfs/dbraw/zinc/79/43/14/938794314.db2.gz WVJLBKUUGCJFKP-UHFFFAOYSA-N 1 3 291.439 1.488 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519107 938794316 /nfs/dbraw/zinc/79/43/16/938794316.db2.gz WVJLBKUUGCJFKP-UHFFFAOYSA-N 1 3 291.439 1.488 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504761 938907535 /nfs/dbraw/zinc/90/75/35/938907535.db2.gz RIOZMDHAIISLHB-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504761 938907536 /nfs/dbraw/zinc/90/75/36/938907536.db2.gz RIOZMDHAIISLHB-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163820579 939338229 /nfs/dbraw/zinc/33/82/29/939338229.db2.gz GJURDGNSEAVMEK-CYBMUJFWSA-N 1 3 299.846 1.709 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203650985 939699777 /nfs/dbraw/zinc/69/97/77/939699777.db2.gz KRTASPXGZVVAKQ-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C[C@]1(C[NH3+])CCCN(Cc2cncc(C#N)c2)CC1 ZINC001206318965 940017343 /nfs/dbraw/zinc/01/73/43/940017343.db2.gz WGTYONHROSJQCY-HNNXBMFYSA-N 1 3 258.369 1.904 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414103 940328849 /nfs/dbraw/zinc/32/88/49/940328849.db2.gz HVLZOLVEVQDIJL-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659364 940624709 /nfs/dbraw/zinc/62/47/09/940624709.db2.gz CJVZQLQOELFAKK-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210314694 940682623 /nfs/dbraw/zinc/68/26/23/940682623.db2.gz JGQQYQQFWXWEGO-HIFRSBDPSA-N 1 3 264.369 1.017 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216503379 940942193 /nfs/dbraw/zinc/94/21/93/940942193.db2.gz RAQIXSRTQKWVIC-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218871713 941282533 /nfs/dbraw/zinc/28/25/33/941282533.db2.gz QHVHJWUECLMGJY-IAQYHMDHSA-N 1 3 286.379 1.579 20 30 CDEDHO N#Cc1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254162476 947315808 /nfs/dbraw/zinc/31/58/08/947315808.db2.gz BQSBLHOMLILMJO-UHFFFAOYSA-N 1 3 298.394 1.535 20 30 CDEDHO CN(C)CC#CCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001313439888 956853624 /nfs/dbraw/zinc/85/36/24/956853624.db2.gz XAINDTLCBPVSBW-UHFFFAOYSA-N 1 3 294.443 1.067 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001340296946 962867552 /nfs/dbraw/zinc/86/75/52/962867552.db2.gz LHFSWCAENJPISG-STQMWFEESA-N 1 3 253.390 1.400 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001340296349 962870156 /nfs/dbraw/zinc/87/01/56/962870156.db2.gz HUSDPAAGETWKSV-CVEARBPZSA-N 1 3 287.407 1.673 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001340312125 962883254 /nfs/dbraw/zinc/88/32/54/962883254.db2.gz MAYIZURVVVLHSX-QWHCGFSZSA-N 1 3 253.390 1.318 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340946629 963207150 /nfs/dbraw/zinc/20/71/50/963207150.db2.gz XYAPGPSTONCVAW-CABCVRRESA-N 1 3 299.459 1.559 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC001341698104 963515630 /nfs/dbraw/zinc/51/56/30/963515630.db2.gz YEGQJOMQPFIWPY-CQSZACIVSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001341698104 963515636 /nfs/dbraw/zinc/51/56/36/963515636.db2.gz YEGQJOMQPFIWPY-CQSZACIVSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001357661279 969638750 /nfs/dbraw/zinc/63/87/50/969638750.db2.gz VQIWTASNWYTOIP-ZIAGYGMSSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132931814 1163511675 /nfs/dbraw/zinc/51/16/75/1163511675.db2.gz DLTXPPVCCKCBJA-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135367 1163578763 /nfs/dbraw/zinc/57/87/63/1163578763.db2.gz PZZWYKKMRDSVJR-QWHCGFSZSA-N 1 3 276.384 1.212 20 30 CDEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001570107760 1170081661 /nfs/dbraw/zinc/08/16/61/1170081661.db2.gz ATVQGLJOLYAEBP-CYBMUJFWSA-N 1 3 267.417 1.531 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001574851576 1171025486 /nfs/dbraw/zinc/02/54/86/1171025486.db2.gz HUFADDVWZPBHJP-MNOVXSKESA-N 1 3 259.781 1.009 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001574851576 1171025492 /nfs/dbraw/zinc/02/54/92/1171025492.db2.gz HUFADDVWZPBHJP-MNOVXSKESA-N 1 3 259.781 1.009 20 30 CDEDHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC001576117419 1171335136 /nfs/dbraw/zinc/33/51/36/1171335136.db2.gz OGYQWJOKOAQRCT-XQQFMLRXSA-N 1 3 251.374 1.100 20 30 CDEDHO C#CCNC(=O)CCNCc1cccc(C[N@@H+](C)CC)c1 ZINC000491381869 365581694 /nfs/dbraw/zinc/58/16/94/365581694.db2.gz GSBJMALOCWQSHI-UHFFFAOYSA-N 1 3 287.407 1.367 20 30 CDEDHO C#CCNC(=O)CCNCc1cccc(C[N@H+](C)CC)c1 ZINC000491381869 365581698 /nfs/dbraw/zinc/58/16/98/365581698.db2.gz GSBJMALOCWQSHI-UHFFFAOYSA-N 1 3 287.407 1.367 20 30 CDEDHO C[NH+](C)CC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000597709287 343606619 /nfs/dbraw/zinc/60/66/19/343606619.db2.gz STFBBCJCSRIUKU-MRXNPFEDSA-N 1 3 285.391 1.779 20 30 CDEDHO CN(CC(=O)N(CCC#N)CCC[NH+](C)C)CC(C)(C)C ZINC000602082247 344328508 /nfs/dbraw/zinc/32/85/08/344328508.db2.gz ISAYTUHOCLETGD-UHFFFAOYSA-N 1 3 296.459 1.658 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449548015 362755985 /nfs/dbraw/zinc/75/59/85/362755985.db2.gz KQUKFPLMCZDAEK-YJNKXOJESA-N 1 3 250.386 1.936 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449548015 362755991 /nfs/dbraw/zinc/75/59/91/362755991.db2.gz KQUKFPLMCZDAEK-YJNKXOJESA-N 1 3 250.386 1.936 20 30 CDEDHO CCN(CC)CCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000558725225 356041565 /nfs/dbraw/zinc/04/15/65/356041565.db2.gz HEAKLDTWWILNOA-UHFFFAOYSA-N 1 3 292.431 1.290 20 30 CDEDHO CCN(CC)CCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000558725225 356041567 /nfs/dbraw/zinc/04/15/67/356041567.db2.gz HEAKLDTWWILNOA-UHFFFAOYSA-N 1 3 292.431 1.290 20 30 CDEDHO CC#CCN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420977453 376544888 /nfs/dbraw/zinc/54/48/88/376544888.db2.gz IDTHVOCRTOMNRR-UHFFFAOYSA-N 1 3 263.429 1.502 20 30 CDEDHO COCCC[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442778542 391029604 /nfs/dbraw/zinc/02/96/04/391029604.db2.gz HDQXSFHXLZZWIA-DZGCQCFKSA-N 1 3 265.401 1.769 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1sc(C)nc1C ZINC000267461511 391196671 /nfs/dbraw/zinc/19/66/71/391196671.db2.gz VJHHDGKEMHQZOM-LBPRGKRZSA-N 1 3 295.456 1.649 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000423278386 392960052 /nfs/dbraw/zinc/96/00/52/392960052.db2.gz PTOPZITZOBNCDI-SFHVURJKSA-N 1 3 298.434 1.850 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290785 414617677 /nfs/dbraw/zinc/61/76/77/414617677.db2.gz KKRJTRHPGLTKHN-HIFRSBDPSA-N 1 3 279.428 1.389 20 30 CDEDHO C#CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000491778213 262039138 /nfs/dbraw/zinc/03/91/38/262039138.db2.gz YBNTZCNQBDBIAD-UHFFFAOYSA-N 1 3 270.380 1.398 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1nccs1 ZINC000273355932 263015935 /nfs/dbraw/zinc/01/59/35/263015935.db2.gz BYUCPUWRAHXMCM-RYUDHWBXSA-N 1 3 295.456 1.635 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000334910987 277775422 /nfs/dbraw/zinc/77/54/22/277775422.db2.gz QHNNLGDEZSFZRT-KGLIPLIRSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323516 329762692 /nfs/dbraw/zinc/76/26/92/329762692.db2.gz YKAZRVBLYIZNHE-LSDHHAIUSA-N 1 3 277.412 1.095 20 30 CDEDHO C#CCNC(=[NH+]CC)N1CC[C@@H](N2CCCCC2)C1 ZINC000262427579 330010011 /nfs/dbraw/zinc/01/00/11/330010011.db2.gz DEMOVCUYCFJTJY-CQSZACIVSA-N 1 3 262.401 1.145 20 30 CDEDHO C[C@@H]1CCCN(C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262642006 330024059 /nfs/dbraw/zinc/02/40/59/330024059.db2.gz HZUMTZGPILDBKU-GFCCVEGCSA-N 1 3 252.406 1.388 20 30 CDEDHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424060176 330218737 /nfs/dbraw/zinc/21/87/37/330218737.db2.gz PKJICUZKYXUCCM-CYBMUJFWSA-N 1 3 274.368 1.756 20 30 CDEDHO C[NH+](C)C1(CNC(=O)[C@H](N)CCCC#N)CCCCCC1 ZINC000424145591 330291400 /nfs/dbraw/zinc/29/14/00/330291400.db2.gz ZDDRVPSIUMVSKW-CQSZACIVSA-N 1 3 294.443 1.778 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000491658968 332269476 /nfs/dbraw/zinc/26/94/76/332269476.db2.gz BYOXGDAFVZXPQB-HNNXBMFYSA-N 1 3 294.443 1.067 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000491743323 332321735 /nfs/dbraw/zinc/32/17/35/332321735.db2.gz UGOFKQDDYCVDNJ-AWEZNQCLSA-N 1 3 294.443 1.019 20 30 CDEDHO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001752980912 1184982555 /nfs/dbraw/zinc/98/25/55/1184982555.db2.gz SXXDSAQVXBVNGA-LSDHHAIUSA-N 1 3 279.428 1.369 20 30 CDEDHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001754337188 1185587108 /nfs/dbraw/zinc/58/71/08/1185587108.db2.gz TYCUTXAIVMVYCC-CQSZACIVSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001754337188 1185587113 /nfs/dbraw/zinc/58/71/13/1185587113.db2.gz TYCUTXAIVMVYCC-CQSZACIVSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764311271 575898888 /nfs/dbraw/zinc/89/88/88/575898888.db2.gz SDTYBSSJIXUDQC-OKILXGFUSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764311271 575898889 /nfs/dbraw/zinc/89/88/89/575898889.db2.gz SDTYBSSJIXUDQC-OKILXGFUSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C(C)C)C2)CC1 ZINC000970920801 613131011 /nfs/dbraw/zinc/13/10/11/613131011.db2.gz MHKIGZIDZRYMDA-AWEZNQCLSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256115 613257372 /nfs/dbraw/zinc/25/73/72/613257372.db2.gz CXFULVBHZRKSBS-CABCVRRESA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC000961783574 613279439 /nfs/dbraw/zinc/27/94/39/613279439.db2.gz AQPZIONQZAOFCA-LJIGWXMPSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC000961783574 613279441 /nfs/dbraw/zinc/27/94/41/613279441.db2.gz AQPZIONQZAOFCA-LJIGWXMPSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481029 613337628 /nfs/dbraw/zinc/33/76/28/613337628.db2.gz XUGPVLDBOPWYNJ-CQSZACIVSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485046 613350685 /nfs/dbraw/zinc/35/06/85/613350685.db2.gz FYXLZLGENMNESA-UONOGXRCSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962052704 613841688 /nfs/dbraw/zinc/84/16/88/613841688.db2.gz QZVSIWNUPKLPDK-FVQHAEBGSA-N 1 3 299.418 1.594 20 30 CDEDHO C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)[C@@H]1CCCO1 ZINC000926210220 617544699 /nfs/dbraw/zinc/54/46/99/617544699.db2.gz LHFUDDFWAJMTAF-VEDBGLOESA-N 1 3 292.423 1.399 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](N)c1ccccc1OC ZINC000911665750 629385432 /nfs/dbraw/zinc/38/54/32/629385432.db2.gz SYZVYKDNUIHABO-KGLIPLIRSA-N 1 3 291.395 1.495 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132884626 1163499486 /nfs/dbraw/zinc/49/94/86/1163499486.db2.gz STYMRUKROWVZKU-CABCVRRESA-N 1 3 293.455 1.731 20 30 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C=CC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985468859 844892769 /nfs/dbraw/zinc/89/27/69/844892769.db2.gz AWZMGIRFRSUVSD-UHFFFAOYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152145 844956882 /nfs/dbraw/zinc/95/68/82/844956882.db2.gz AOQIUHBTFJHTGB-NVXWUHKLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152145 844956889 /nfs/dbraw/zinc/95/68/89/844956889.db2.gz AOQIUHBTFJHTGB-NVXWUHKLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537880 845044733 /nfs/dbraw/zinc/04/47/33/845044733.db2.gz UOYXGCCWDHJOHU-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537880 845044738 /nfs/dbraw/zinc/04/47/38/845044738.db2.gz UOYXGCCWDHJOHU-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996679892 845381945 /nfs/dbraw/zinc/38/19/45/845381945.db2.gz RISXLYRXZAWOHU-AWEZNQCLSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675481 845588951 /nfs/dbraw/zinc/58/89/51/845588951.db2.gz VCADJQBKSWKOBY-UHFFFAOYSA-N 1 3 276.384 1.451 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675481 845588955 /nfs/dbraw/zinc/58/89/55/845588955.db2.gz VCADJQBKSWKOBY-UHFFFAOYSA-N 1 3 276.384 1.451 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999373492 845748320 /nfs/dbraw/zinc/74/83/20/845748320.db2.gz QHIZNWXTUWEWCI-ZIAGYGMSSA-N 1 3 265.401 1.093 20 30 CDEDHO C#C[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000818026165 845814919 /nfs/dbraw/zinc/81/49/19/845814919.db2.gz GADXKMCISJZAFF-AWEZNQCLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001074709775 845904134 /nfs/dbraw/zinc/90/41/34/845904134.db2.gz PWIIGIQTJRMNCM-MELADBBJSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[C@@H]1CC[C@@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900138 1167642581 /nfs/dbraw/zinc/64/25/81/1167642581.db2.gz RPZABQOXQNDTKF-VXGBXAGGSA-N 1 3 261.373 1.257 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829442 846356642 /nfs/dbraw/zinc/35/66/42/846356642.db2.gz FSJVSJPYLDDZLF-ZFWWWQNUSA-N 1 3 288.395 1.451 20 30 CDEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829442 846356648 /nfs/dbraw/zinc/35/66/48/846356648.db2.gz FSJVSJPYLDDZLF-ZFWWWQNUSA-N 1 3 288.395 1.451 20 30 CDEDHO C[NH+](C)CC1(O)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000931481072 846394066 /nfs/dbraw/zinc/39/40/66/846394066.db2.gz CIIUBEIGMWGBJA-QWHCGFSZSA-N 1 3 251.374 1.067 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(C)c(C)s1 ZINC000304765178 846566546 /nfs/dbraw/zinc/56/65/46/846566546.db2.gz YYCCQYULTLVEQW-LBPRGKRZSA-N 1 3 295.456 1.649 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003968635 846692999 /nfs/dbraw/zinc/69/29/99/846692999.db2.gz SBRHRRJPWOHXFB-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818371 846788413 /nfs/dbraw/zinc/78/84/13/846788413.db2.gz BDGHDTFCMTVKNS-OWYFMNJBSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818371 846788425 /nfs/dbraw/zinc/78/84/25/846788425.db2.gz BDGHDTFCMTVKNS-OWYFMNJBSA-N 1 3 289.423 1.236 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CCC1 ZINC000305048660 847554111 /nfs/dbraw/zinc/55/41/11/847554111.db2.gz BRRYXAACRNMDHC-AWEZNQCLSA-N 1 3 296.459 1.582 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035720591 847838467 /nfs/dbraw/zinc/83/84/67/847838467.db2.gz KZONWBXDAXSYJO-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378457 847853008 /nfs/dbraw/zinc/85/30/08/847853008.db2.gz VTYXOBXNJAWAJC-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378457 847853014 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C=CCC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480509 896094378 /nfs/dbraw/zinc/09/43/78/896094378.db2.gz IMUGDQFANAMGKZ-UHFFFAOYSA-N 1 3 281.444 1.780 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106663005 914108729 /nfs/dbraw/zinc/10/87/29/914108729.db2.gz NDKWWPQLOJVRTF-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CCN1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207419 902339470 /nfs/dbraw/zinc/33/94/70/902339470.db2.gz QNUDMBNPKVYOCW-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087797203 905851476 /nfs/dbraw/zinc/85/14/76/905851476.db2.gz CLBGSOVKKSCMLF-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087797203 905851489 /nfs/dbraw/zinc/85/14/89/905851489.db2.gz CLBGSOVKKSCMLF-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001494202458 921210057 /nfs/dbraw/zinc/21/00/57/921210057.db2.gz UTMSDGOBAZFFBP-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001494202458 921210067 /nfs/dbraw/zinc/21/00/67/921210067.db2.gz UTMSDGOBAZFFBP-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO COCCC[NH+]1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001172247214 911514294 /nfs/dbraw/zinc/51/42/94/911514294.db2.gz KCMNHIVVRQJRCD-UHFFFAOYSA-N 1 3 294.374 1.427 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042290 917896576 /nfs/dbraw/zinc/89/65/76/917896576.db2.gz FLHIYKJPGUYSOW-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182941205 918217131 /nfs/dbraw/zinc/21/71/31/918217131.db2.gz DCPVJQKRBQUQLE-GDBMZVCRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192969156 923391921 /nfs/dbraw/zinc/39/19/21/923391921.db2.gz HOZMGLDIESZJJH-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192969156 923391932 /nfs/dbraw/zinc/39/19/32/923391932.db2.gz HOZMGLDIESZJJH-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193621575 923813161 /nfs/dbraw/zinc/81/31/61/923813161.db2.gz HXKDPBZEJBRDMZ-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193621575 923813168 /nfs/dbraw/zinc/81/31/68/923813168.db2.gz HXKDPBZEJBRDMZ-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382576 924546898 /nfs/dbraw/zinc/54/68/98/924546898.db2.gz RYQOFZVROXFADK-UKRRQHHQSA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CCN1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345033 936969798 /nfs/dbraw/zinc/96/97/98/936969798.db2.gz QILUDKBLYGDMIX-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101397739 936970974 /nfs/dbraw/zinc/97/09/74/936970974.db2.gz FGRLKKZTAQVORA-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101397739 936970975 /nfs/dbraw/zinc/97/09/75/936970975.db2.gz FGRLKKZTAQVORA-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047428 937038932 /nfs/dbraw/zinc/03/89/32/937038932.db2.gz GUASZZUQDNZXTR-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047428 937038935 /nfs/dbraw/zinc/03/89/35/937038935.db2.gz GUASZZUQDNZXTR-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001086102340 926705608 /nfs/dbraw/zinc/70/56/08/926705608.db2.gz RXUUHVODYMMSBQ-XHSDSOJGSA-N 1 3 293.455 1.921 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086497267 927214511 /nfs/dbraw/zinc/21/45/11/927214511.db2.gz FDBWZAUMBBHJMC-BZUAXINKSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663477 937150427 /nfs/dbraw/zinc/15/04/27/937150427.db2.gz CXUWPLNNABEAPX-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663477 937150428 /nfs/dbraw/zinc/15/04/28/937150428.db2.gz CXUWPLNNABEAPX-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001149891255 937209745 /nfs/dbraw/zinc/20/97/45/937209745.db2.gz YBEVMZLCZZKUSD-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001149891255 937209747 /nfs/dbraw/zinc/20/97/47/937209747.db2.gz YBEVMZLCZZKUSD-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481352 930218741 /nfs/dbraw/zinc/21/87/41/930218741.db2.gz UAUBLWLXNNBKES-HUUCEWRRSA-N 1 3 295.471 1.861 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C)CC1 ZINC001146571077 932266856 /nfs/dbraw/zinc/26/68/56/932266856.db2.gz KRFQXRRNNFEYFL-CABCVRRESA-N 1 3 291.439 1.391 20 30 CDEDHO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593574 932270679 /nfs/dbraw/zinc/27/06/79/932270679.db2.gz QCYLDKPDJPEAIS-LSDHHAIUSA-N 1 3 299.459 1.402 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC001149124979 932563579 /nfs/dbraw/zinc/56/35/79/932563579.db2.gz ZMSPXODEONANQX-LLVKDONJSA-N 1 3 264.373 1.321 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148277627 932689490 /nfs/dbraw/zinc/68/94/90/932689490.db2.gz JCITWYYGGUPBSU-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001121916488 937890012 /nfs/dbraw/zinc/89/00/12/937890012.db2.gz AHCQRRZQCXKFRY-UONOGXRCSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157799312 938547347 /nfs/dbraw/zinc/54/73/47/938547347.db2.gz KAORGCCDEFRBFE-RDBSUJKOSA-N 1 3 267.417 1.646 20 30 CDEDHO C[C@@H]1CCN(Cc2cncc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205625941 939910155 /nfs/dbraw/zinc/91/01/55/939910155.db2.gz CRXBVEDDGIXMEI-DOMZBBRYSA-N 1 3 258.369 1.760 20 30 CDEDHO C=CCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208106670 940290078 /nfs/dbraw/zinc/29/00/78/940290078.db2.gz JKVZNRVHIBFFSW-UHFFFAOYSA-N 1 3 251.418 1.522 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209632974 940620366 /nfs/dbraw/zinc/62/03/66/940620366.db2.gz QNAPSSDQAZAOOC-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209669638 940624697 /nfs/dbraw/zinc/62/46/97/940624697.db2.gz RFBATQGOTQOROV-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210032871 940658706 /nfs/dbraw/zinc/65/87/06/940658706.db2.gz CMZXWUGTHKPUSZ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210032871 940658704 /nfs/dbraw/zinc/65/87/04/940658704.db2.gz CMZXWUGTHKPUSZ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCCCC1 ZINC001221276451 941509306 /nfs/dbraw/zinc/50/93/06/941509306.db2.gz YUAMGQZWCYESSD-CQSZACIVSA-N 1 3 289.423 1.313 20 30 CDEDHO C#CC1(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCCCC1 ZINC001221276451 941509308 /nfs/dbraw/zinc/50/93/08/941509308.db2.gz YUAMGQZWCYESSD-CQSZACIVSA-N 1 3 289.423 1.313 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224545991 941768040 /nfs/dbraw/zinc/76/80/40/941768040.db2.gz DXECKFOPTHCPMO-AWEZNQCLSA-N 1 3 279.428 1.342 20 30 CDEDHO C=CCCCCCC[C@@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246024545 947903425 /nfs/dbraw/zinc/90/34/25/947903425.db2.gz USCRKBYTJWOHIK-ZNMIVQPWSA-N 1 3 270.417 1.125 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001491833984 955458954 /nfs/dbraw/zinc/45/89/54/955458954.db2.gz XFDKRKGYGVOIKF-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC001342631104 963780047 /nfs/dbraw/zinc/78/00/47/963780047.db2.gz NBRFYNRHUQVYDI-OLZOCXBDSA-N 1 3 268.405 1.244 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444321912 965792811 /nfs/dbraw/zinc/79/28/11/965792811.db2.gz KIOWQUVZKUTUFK-LLVKDONJSA-N 1 3 287.835 1.565 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001353536018 968054302 /nfs/dbraw/zinc/05/43/02/968054302.db2.gz XDXCZDWXPGRRPV-OAHLLOKOSA-N 1 3 297.443 1.287 20 30 CDEDHO C[C@H](CCNCCC(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC001356594239 969439584 /nfs/dbraw/zinc/43/95/84/969439584.db2.gz CGHJDXQSWFYBMS-CYBMUJFWSA-N 1 3 288.395 1.817 20 30 CDEDHO C[C@H](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)N(C)C ZINC001356594239 969439587 /nfs/dbraw/zinc/43/95/87/969439587.db2.gz CGHJDXQSWFYBMS-CYBMUJFWSA-N 1 3 288.395 1.817 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001378601451 975412382 /nfs/dbraw/zinc/41/23/82/975412382.db2.gz MLXMNTWYOKDBQL-WCQYABFASA-N 1 3 289.851 1.667 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@@H+](C)C(C)C ZINC001574857420 1171029763 /nfs/dbraw/zinc/02/97/63/1171029763.db2.gz SQIKBKUDXLTBDE-LLVKDONJSA-N 1 3 261.797 1.303 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[N@H+](C)C(C)C ZINC001574857420 1171029772 /nfs/dbraw/zinc/02/97/72/1171029772.db2.gz SQIKBKUDXLTBDE-LLVKDONJSA-N 1 3 261.797 1.303 20 30 CDEDHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H](O)CC1(C#N)CC1 ZINC001575453561 1171176368 /nfs/dbraw/zinc/17/63/68/1171176368.db2.gz RQZWEQHMFFXIDF-QWHCGFSZSA-N 1 3 253.390 1.346 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000068775248 342182663 /nfs/dbraw/zinc/18/26/63/342182663.db2.gz KIZXQVCSQFLDEW-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000442765383 362088656 /nfs/dbraw/zinc/08/86/56/362088656.db2.gz JKUUMHCNPJDBRB-FMKPAKJESA-N 1 3 277.412 1.769 20 30 CDEDHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000595936199 343201648 /nfs/dbraw/zinc/20/16/48/343201648.db2.gz NWZUDCHCWGIGHA-OLZOCXBDSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000595936199 343201649 /nfs/dbraw/zinc/20/16/49/343201649.db2.gz NWZUDCHCWGIGHA-OLZOCXBDSA-N 1 3 280.416 1.244 20 30 CDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084187586 342378363 /nfs/dbraw/zinc/37/83/63/342378363.db2.gz OWEOKZUIEUCAIQ-UHFFFAOYSA-N 1 3 294.424 1.185 20 30 CDEDHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=CCN(C)CC1 ZINC000598724032 343885356 /nfs/dbraw/zinc/88/53/56/343885356.db2.gz LGXYCVBHLWBYEJ-GXTWGEPZSA-N 1 3 265.401 1.527 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000066124851 347477741 /nfs/dbraw/zinc/47/77/41/347477741.db2.gz LTYZKULULXWISW-AWEZNQCLSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000066124851 347477743 /nfs/dbraw/zinc/47/77/43/347477743.db2.gz LTYZKULULXWISW-AWEZNQCLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000337187233 360031403 /nfs/dbraw/zinc/03/14/03/360031403.db2.gz PXAZIIJUIVEEOG-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO N#Cc1ccc(CN2CCC(NC3C[NH2+]C3)CC2)cc1 ZINC000580946158 363955873 /nfs/dbraw/zinc/95/58/73/363955873.db2.gz CEDZLOQQJILLSE-UHFFFAOYSA-N 1 3 270.380 1.084 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661833093 1172451843 /nfs/dbraw/zinc/45/18/43/1172451843.db2.gz VYVBTEMNQWKPQU-JKSUJKDBSA-N 1 3 293.455 1.424 20 30 CDEDHO C[NH+]=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC1CC1 ZINC000195165147 375990762 /nfs/dbraw/zinc/99/07/62/375990762.db2.gz PWWLDCFCIFMXJF-HNNXBMFYSA-N 1 3 286.423 1.836 20 30 CDEDHO C=C[C@H](CO)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000657791363 413026451 /nfs/dbraw/zinc/02/64/51/413026451.db2.gz VZIJPPUIVIVORC-CQSZACIVSA-N 1 3 264.369 1.264 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CO)c1 ZINC000178567709 391188261 /nfs/dbraw/zinc/18/82/61/391188261.db2.gz NHEWAFHIOGLGPI-OAHLLOKOSA-N 1 3 290.411 1.068 20 30 CDEDHO C=CC[C@@]1(C(=O)N[C@H](C)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000662887522 413660033 /nfs/dbraw/zinc/66/00/33/413660033.db2.gz ZFEBIAGOERFUGH-WBVHZDCISA-N 1 3 293.455 1.921 20 30 CDEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])NCCOC ZINC000161479322 261247915 /nfs/dbraw/zinc/24/79/15/261247915.db2.gz RXDRGLOWHGNZMN-UHFFFAOYSA-N 1 3 292.427 1.579 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185774136 262069596 /nfs/dbraw/zinc/06/95/96/262069596.db2.gz DSIWWDXYDAXGTQ-GOEBONIOSA-N 1 3 278.444 1.684 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000417060343 263779347 /nfs/dbraw/zinc/77/93/47/263779347.db2.gz JVNIOZCGPWPVGM-ZIAGYGMSSA-N 1 3 282.432 1.331 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366670116 328256263 /nfs/dbraw/zinc/25/62/63/328256263.db2.gz HEFNIEJQUZVYKX-CZUORRHYSA-N 1 3 277.412 1.143 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000263065520 330041598 /nfs/dbraw/zinc/04/15/98/330041598.db2.gz GCSISKKBKIGNLC-XDQVBPFNSA-N 1 3 282.432 1.189 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423367899 330194750 /nfs/dbraw/zinc/19/47/50/330194750.db2.gz ATRVZQNTPSPIBA-JSGCOSHPSA-N 1 3 265.401 1.141 20 30 CDEDHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424085652 330223265 /nfs/dbraw/zinc/22/32/65/330223265.db2.gz ZIDOEYRDUJNIBU-ZWNOBZJWSA-N 1 3 260.341 1.666 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424138018 330275065 /nfs/dbraw/zinc/27/50/65/330275065.db2.gz CSGQVOYXVFFKDT-KGLIPLIRSA-N 1 3 280.416 1.102 20 30 CDEDHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424138018 330275067 /nfs/dbraw/zinc/27/50/67/330275067.db2.gz CSGQVOYXVFFKDT-KGLIPLIRSA-N 1 3 280.416 1.102 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000424148945 330295590 /nfs/dbraw/zinc/29/55/90/330295590.db2.gz VKKMVDZBUAOYMV-HNNXBMFYSA-N 1 3 294.443 1.780 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC#N ZINC000424160791 330306277 /nfs/dbraw/zinc/30/62/77/330306277.db2.gz UVDLPVACLUDVNA-CABCVRRESA-N 1 3 294.443 1.778 20 30 CDEDHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC#N ZINC000424160791 330306278 /nfs/dbraw/zinc/30/62/78/330306278.db2.gz UVDLPVACLUDVNA-CABCVRRESA-N 1 3 294.443 1.778 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000577592695 335374972 /nfs/dbraw/zinc/37/49/72/335374972.db2.gz KDZIQDNAOBZKRT-UHFFFAOYSA-N 1 3 294.443 1.326 20 30 CDEDHO C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001754933227 1159489291 /nfs/dbraw/zinc/48/92/91/1159489291.db2.gz PBUUDLNDCIMCCU-CQSZACIVSA-N 1 3 290.411 1.747 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001752815287 1160498236 /nfs/dbraw/zinc/49/82/36/1160498236.db2.gz PDDHQRMEMJORPD-OAHLLOKOSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000665946470 482864028 /nfs/dbraw/zinc/86/40/28/482864028.db2.gz ZOBOCWYXXKSAGM-HNNXBMFYSA-N 1 3 296.459 1.620 20 30 CDEDHO C=CCCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000665946470 482864032 /nfs/dbraw/zinc/86/40/32/482864032.db2.gz ZOBOCWYXXKSAGM-HNNXBMFYSA-N 1 3 296.459 1.620 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000669465234 483173018 /nfs/dbraw/zinc/17/30/18/483173018.db2.gz BMWXRUGSXLLYRJ-CYBMUJFWSA-N 1 3 280.416 1.078 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001752788454 1184914334 /nfs/dbraw/zinc/91/43/34/1184914334.db2.gz JYHLFUISUIKDRU-OAHLLOKOSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001752788454 1184914343 /nfs/dbraw/zinc/91/43/43/1184914343.db2.gz JYHLFUISUIKDRU-OAHLLOKOSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000334893155 526429344 /nfs/dbraw/zinc/42/93/44/526429344.db2.gz SKLIMQOKFIQREJ-CHWSQXEVSA-N 1 3 280.416 1.029 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000764429281 575906473 /nfs/dbraw/zinc/90/64/73/575906473.db2.gz YKYCNVUSBQLRIS-KBPBESRZSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000764608768 575925486 /nfs/dbraw/zinc/92/54/86/575925486.db2.gz CJFSAQFADJTZTF-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743295 613161392 /nfs/dbraw/zinc/16/13/92/613161392.db2.gz QGPHKKUXZAIUHU-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256118 613257193 /nfs/dbraw/zinc/25/71/93/613257193.db2.gz CXFULVBHZRKSBS-GJZGRUSLSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971201497 613284404 /nfs/dbraw/zinc/28/44/04/613284404.db2.gz OKYDBNJBWOFABT-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971201497 613284406 /nfs/dbraw/zinc/28/44/06/613284406.db2.gz OKYDBNJBWOFABT-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792527 613301644 /nfs/dbraw/zinc/30/16/44/613301644.db2.gz KEKSLEFWEZHVNG-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969792527 613301646 /nfs/dbraw/zinc/30/16/46/613301646.db2.gz KEKSLEFWEZHVNG-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812950 613314501 /nfs/dbraw/zinc/31/45/01/613314501.db2.gz PEWWAFBRWPLPFI-HNNXBMFYSA-N 1 3 290.411 1.841 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812950 613314503 /nfs/dbraw/zinc/31/45/03/613314503.db2.gz PEWWAFBRWPLPFI-HNNXBMFYSA-N 1 3 290.411 1.841 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947979646 613520624 /nfs/dbraw/zinc/52/06/24/613520624.db2.gz JMJZPBZMPKDLTK-GXTWGEPZSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947979646 613520626 /nfs/dbraw/zinc/52/06/26/613520626.db2.gz JMJZPBZMPKDLTK-GXTWGEPZSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330841 613628056 /nfs/dbraw/zinc/62/80/56/613628056.db2.gz IBULEJCKVYUPEV-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330841 613628057 /nfs/dbraw/zinc/62/80/57/613628057.db2.gz IBULEJCKVYUPEV-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO COc1ccc(C(C)=NNC(N)=[NH2+])cc1CN1CCCC1 ZINC000915051243 631638374 /nfs/dbraw/zinc/63/83/74/631638374.db2.gz YYWHROKBKZWOOI-UHFFFAOYSA-N 1 3 289.383 1.498 20 30 CDEDHO CN(C)/C=[NH+]/c1ccc(NCC2CN(C)C2)cc1C#N ZINC001170256434 1162319119 /nfs/dbraw/zinc/31/91/19/1162319119.db2.gz LZSFPWUWUDPZQL-WOJGMQOQSA-N 1 3 271.368 1.753 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706351 1164169816 /nfs/dbraw/zinc/16/98/16/1164169816.db2.gz SUCPSIMQCBAEGT-KBPBESRZSA-N 1 3 267.417 1.224 20 30 CDEDHO COC(=O)[C@@H]1CN(CC2CCC(C#N)CC2)CC12C[NH2+]C2 ZINC001578795856 1172011321 /nfs/dbraw/zinc/01/13/21/1172011321.db2.gz DRDPWFGEZIRKOH-RUXDESIVSA-N 1 3 291.395 1.011 20 30 CDEDHO C=C(C)C[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001713561912 1178650079 /nfs/dbraw/zinc/65/00/79/1178650079.db2.gz HLNDZDIAXSJCRI-OAHLLOKOSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001713561912 1178650085 /nfs/dbraw/zinc/65/00/85/1178650085.db2.gz HLNDZDIAXSJCRI-OAHLLOKOSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001754038257 1185437138 /nfs/dbraw/zinc/43/71/38/1185437138.db2.gz DJJWAWDLSNIZBO-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001755618915 1186013874 /nfs/dbraw/zinc/01/38/74/1186013874.db2.gz PZKYFCFDTHXRIE-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020932511 697848433 /nfs/dbraw/zinc/84/84/33/697848433.db2.gz LEEOLDUWGSMVQW-HAQNSBGRSA-N 1 3 283.803 1.072 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016827517 697925976 /nfs/dbraw/zinc/92/59/76/697925976.db2.gz WVIAIPYYPBCCFE-CABCVRRESA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814396 698011162 /nfs/dbraw/zinc/01/11/62/698011162.db2.gz CJLSWHBZSHNFRX-HNNXBMFYSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814396 698011164 /nfs/dbraw/zinc/01/11/64/698011164.db2.gz CJLSWHBZSHNFRX-HNNXBMFYSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575785 698027149 /nfs/dbraw/zinc/02/71/49/698027149.db2.gz DVZIACPDUYTGNO-GJZGRUSLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027575785 698027153 /nfs/dbraw/zinc/02/71/53/698027153.db2.gz DVZIACPDUYTGNO-GJZGRUSLSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606935 698302013 /nfs/dbraw/zinc/30/20/13/698302013.db2.gz XCOJEDYGPVCVBB-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014708397 698322167 /nfs/dbraw/zinc/32/21/67/698322167.db2.gz XEEDIGFDPLBTAL-HOTGVXAUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014708397 698322169 /nfs/dbraw/zinc/32/21/69/698322169.db2.gz XEEDIGFDPLBTAL-HOTGVXAUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399496 698327548 /nfs/dbraw/zinc/32/75/48/698327548.db2.gz TXNKVEWVLROKRU-MRXNPFEDSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CCCC)C2)CC1 ZINC001032207412 698358913 /nfs/dbraw/zinc/35/89/13/698358913.db2.gz QEYQSCMNMXFIPK-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046834241 698494539 /nfs/dbraw/zinc/49/45/39/698494539.db2.gz PEOIOIKYPFNKQY-ZFWWWQNUSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046834241 698494554 /nfs/dbraw/zinc/49/45/54/698494554.db2.gz PEOIOIKYPFNKQY-ZFWWWQNUSA-N 1 3 265.401 1.095 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001824401 698614088 /nfs/dbraw/zinc/61/40/88/698614088.db2.gz FSLHDHKUZXPNRR-GOEBONIOSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001824401 698614110 /nfs/dbraw/zinc/61/41/10/698614110.db2.gz FSLHDHKUZXPNRR-GOEBONIOSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016830980 698826706 /nfs/dbraw/zinc/82/67/06/698826706.db2.gz YWSWEIGLRCDFQK-CABCVRRESA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(C)CC1 ZINC000886574718 698844627 /nfs/dbraw/zinc/84/46/27/698844627.db2.gz QBXDDYXTHUOAPU-JKSUJKDBSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCN(C)CC1 ZINC000886574718 698844632 /nfs/dbraw/zinc/84/46/32/698844632.db2.gz QBXDDYXTHUOAPU-JKSUJKDBSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897158 698864538 /nfs/dbraw/zinc/86/45/38/698864538.db2.gz GUURXZWWXMIBMS-AWEZNQCLSA-N 1 3 288.395 1.255 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001052897158 698864541 /nfs/dbraw/zinc/86/45/41/698864541.db2.gz GUURXZWWXMIBMS-AWEZNQCLSA-N 1 3 288.395 1.255 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133820102 1163909735 /nfs/dbraw/zinc/90/97/35/1163909735.db2.gz YKRSGWRCOLZXDJ-ZIAGYGMSSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950698 704886064 /nfs/dbraw/zinc/88/60/64/704886064.db2.gz SDEYCGVAMMBFSK-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950698 704886065 /nfs/dbraw/zinc/88/60/65/704886065.db2.gz SDEYCGVAMMBFSK-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NCC1C[NH2+]C1 ZINC001357443046 969589674 /nfs/dbraw/zinc/58/96/74/969589674.db2.gz CVQJDKNABOWFJG-CYBMUJFWSA-N 1 3 255.406 1.400 20 30 CDEDHO CN(C(=[NH2+])NCC(C)(C)N1CCCCC1)C1CC1 ZINC000305831774 848043284 /nfs/dbraw/zinc/04/32/84/848043284.db2.gz UQESNOHDVSFHDD-UHFFFAOYSA-N 1 3 252.406 1.660 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215391 848105067 /nfs/dbraw/zinc/10/50/67/848105067.db2.gz YWFXWCQELHQMOW-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034215391 848105070 /nfs/dbraw/zinc/10/50/70/848105070.db2.gz YWFXWCQELHQMOW-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979800 848552827 /nfs/dbraw/zinc/55/28/27/848552827.db2.gz MBBDFSBMPZMPAG-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979800 848552834 /nfs/dbraw/zinc/55/28/34/848552834.db2.gz MBBDFSBMPZMPAG-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034363580 848795448 /nfs/dbraw/zinc/79/54/48/848795448.db2.gz PAFBUJZYOHPWAP-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034363580 848795453 /nfs/dbraw/zinc/79/54/53/848795453.db2.gz PAFBUJZYOHPWAP-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042873 849226913 /nfs/dbraw/zinc/22/69/13/849226913.db2.gz MTZRIGCKRZPVBH-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042873 849226929 /nfs/dbraw/zinc/22/69/29/849226929.db2.gz MTZRIGCKRZPVBH-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044748526 849304910 /nfs/dbraw/zinc/30/49/10/849304910.db2.gz FBAZJQAKNQKAFN-CHWSQXEVSA-N 1 3 276.384 1.497 20 30 CDEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NCCCOCC ZINC000303895528 849814277 /nfs/dbraw/zinc/81/42/77/849814277.db2.gz TYMRYNQQWADXLN-HNNXBMFYSA-N 1 3 298.475 1.972 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001001002376 850044366 /nfs/dbraw/zinc/04/43/66/850044366.db2.gz OXQIARNRGRGHEH-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260646 894989468 /nfs/dbraw/zinc/98/94/68/894989468.db2.gz CHEXQYFZMPQCJJ-AWEZNQCLSA-N 1 3 279.428 1.226 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176752961 914257926 /nfs/dbraw/zinc/25/79/26/914257926.db2.gz BPCMAIBPRQDRJK-HNNXBMFYSA-N 1 3 281.444 1.615 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC=C(C)C)CC1 ZINC001176926084 914360886 /nfs/dbraw/zinc/36/08/86/914360886.db2.gz FYDRBJVIUQXVME-UHFFFAOYSA-N 1 3 291.439 1.394 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168346194 909137481 /nfs/dbraw/zinc/13/74/81/909137481.db2.gz XANBXXMXLUGUGN-OAHLLOKOSA-N 1 3 293.455 1.923 20 30 CDEDHO C#CCOCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119263 911304056 /nfs/dbraw/zinc/30/40/56/911304056.db2.gz XIGHFSSCNOGJOK-PHZGNYQRSA-N 1 3 280.412 1.258 20 30 CDEDHO C#CCOCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119263 911304073 /nfs/dbraw/zinc/30/40/73/911304073.db2.gz XIGHFSSCNOGJOK-PHZGNYQRSA-N 1 3 280.412 1.258 20 30 CDEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042637 917896083 /nfs/dbraw/zinc/89/60/83/917896083.db2.gz WIRGCTBRPWWTBY-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228300 918370818 /nfs/dbraw/zinc/37/08/18/918370818.db2.gz GAMHYEQZAWAXSO-GDBMZVCRSA-N 1 3 279.428 1.036 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255223 918412215 /nfs/dbraw/zinc/41/22/15/918412215.db2.gz LFZZFVDXYOQOJF-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255223 918412227 /nfs/dbraw/zinc/41/22/27/918412227.db2.gz LFZZFVDXYOQOJF-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185203229 919476647 /nfs/dbraw/zinc/47/66/47/919476647.db2.gz DYOSVCFAHMUGDJ-KGLIPLIRSA-N 1 3 290.411 1.603 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185659725 919697463 /nfs/dbraw/zinc/69/74/63/919697463.db2.gz PJZXJCGDISISGQ-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385316 923048829 /nfs/dbraw/zinc/04/88/29/923048829.db2.gz GAAIPNSYYDJXLL-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385316 923048847 /nfs/dbraw/zinc/04/88/47/923048847.db2.gz GAAIPNSYYDJXLL-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039179 924028894 /nfs/dbraw/zinc/02/88/94/924028894.db2.gz LDCQOMDBVLPEGR-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039179 924028899 /nfs/dbraw/zinc/02/88/99/924028899.db2.gz LDCQOMDBVLPEGR-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085973028 926563208 /nfs/dbraw/zinc/56/32/08/926563208.db2.gz NFQCVRWCTMXEMP-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085973028 926563217 /nfs/dbraw/zinc/56/32/17/926563217.db2.gz NFQCVRWCTMXEMP-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152451627 937363642 /nfs/dbraw/zinc/36/36/42/937363642.db2.gz BADFYVDTSYLRQH-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115591701 937397489 /nfs/dbraw/zinc/39/74/89/937397489.db2.gz AIEGXXFJIHTHAW-CQSZACIVSA-N 1 3 279.428 1.369 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580005 937560502 /nfs/dbraw/zinc/56/05/02/937560502.db2.gz KBXSRLOHERFPFI-OAHLLOKOSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580005 937560504 /nfs/dbraw/zinc/56/05/04/937560504.db2.gz KBXSRLOHERFPFI-OAHLLOKOSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC)CC1 ZINC001146609688 932271607 /nfs/dbraw/zinc/27/16/07/932271607.db2.gz GAYSRCIDXLBCFM-HUUCEWRRSA-N 1 3 293.455 1.615 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574499 939495112 /nfs/dbraw/zinc/49/51/12/939495112.db2.gz OGCOHUFIDIALBS-STQMWFEESA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574499 939495114 /nfs/dbraw/zinc/49/51/14/939495114.db2.gz OGCOHUFIDIALBS-STQMWFEESA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166707815 939629668 /nfs/dbraw/zinc/62/96/68/939629668.db2.gz JGLRLLAXUQPVHR-ZYHUDNBSSA-N 1 3 273.808 1.033 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166707815 939629669 /nfs/dbraw/zinc/62/96/69/939629669.db2.gz JGLRLLAXUQPVHR-ZYHUDNBSSA-N 1 3 273.808 1.033 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414083 940329359 /nfs/dbraw/zinc/32/93/59/940329359.db2.gz HMMJLKORBHLMOQ-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208454677 940332199 /nfs/dbraw/zinc/33/21/99/940332199.db2.gz ZFLZEXSEFKELAL-CQSZACIVSA-N 1 3 279.428 1.321 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209634085 940620601 /nfs/dbraw/zinc/62/06/01/940620601.db2.gz ZZNZVARGXGPJDA-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210316168 940682735 /nfs/dbraw/zinc/68/27/35/940682735.db2.gz VMICLZNZWSQSNB-GOEBONIOSA-N 1 3 296.411 1.196 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NCCCC[NH2+]C ZINC001220077730 941412180 /nfs/dbraw/zinc/41/21/80/941412180.db2.gz UZUFYPJMBUSWKO-ZDUSSCGKSA-N 1 3 255.406 1.566 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223487743 941681418 /nfs/dbraw/zinc/68/14/18/941681418.db2.gz OVUXQYYJHGEQKB-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224537567 941766775 /nfs/dbraw/zinc/76/67/75/941766775.db2.gz RTDQXTVPHSLUBB-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228661097 942350899 /nfs/dbraw/zinc/35/08/99/942350899.db2.gz NMLSRAJGGBOFLC-KFWWJZLASA-N 1 3 281.444 1.920 20 30 CDEDHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(CCC#N)C2 ZINC001277938872 944131418 /nfs/dbraw/zinc/13/14/18/944131418.db2.gz GYRHZISJNRZQDW-HNNXBMFYSA-N 1 3 264.417 1.250 20 30 CDEDHO N#Cc1cccc(CCCN2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235994659 944363700 /nfs/dbraw/zinc/36/37/00/944363700.db2.gz ULTHJVNNKUTGFC-SJPCQFCGSA-N 1 3 285.391 1.396 20 30 CDEDHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC#CCN(C)C ZINC001335381730 959756683 /nfs/dbraw/zinc/75/66/83/959756683.db2.gz MKZPJKAXSKFMCB-ZBFHGGJFSA-N 1 3 260.381 1.306 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001341605549 963479827 /nfs/dbraw/zinc/47/98/27/963479827.db2.gz OKYCZNRSDHEONV-HUUCEWRRSA-N 1 3 279.428 1.757 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC1CCN(CC=C)CC1 ZINC001341698000 963515798 /nfs/dbraw/zinc/51/57/98/963515798.db2.gz XRZKRVCDNOADMO-CQSZACIVSA-N 1 3 265.401 1.437 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100675846 968926346 /nfs/dbraw/zinc/92/63/46/968926346.db2.gz AGMOWJKCBVTUNR-WLYUNCDWSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC001357326825 969570656 /nfs/dbraw/zinc/57/06/56/969570656.db2.gz OGTYONAHRIYWBN-AWEZNQCLSA-N 1 3 267.417 1.661 20 30 CDEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001499339543 974239347 /nfs/dbraw/zinc/23/93/47/974239347.db2.gz MXAQGZCGNUYYDH-CQSZACIVSA-N 1 3 281.444 1.777 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001499935783 974340273 /nfs/dbraw/zinc/34/02/73/974340273.db2.gz MTQQWECTAGOMRT-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574908414 1171047097 /nfs/dbraw/zinc/04/70/97/1171047097.db2.gz MXFSPYKAVMKNDT-GJZGRUSLSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001574908414 1171047105 /nfs/dbraw/zinc/04/71/05/1171047105.db2.gz MXFSPYKAVMKNDT-GJZGRUSLSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001574908414 1171047113 /nfs/dbraw/zinc/04/71/13/1171047113.db2.gz MXFSPYKAVMKNDT-GJZGRUSLSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC3(CCC[C@H]3C[NH3+])CC2)C1=O ZINC001574936962 1171055784 /nfs/dbraw/zinc/05/57/84/1171055784.db2.gz QGEHFJYVXGJUSH-LSDHHAIUSA-N 1 3 291.439 1.614 20 30 CDEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC#N)CC1 ZINC000591570968 342637520 /nfs/dbraw/zinc/63/75/20/342637520.db2.gz MFAWLLUKGQTRKR-GDBMZVCRSA-N 1 3 278.444 1.875 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000333571173 539052751 /nfs/dbraw/zinc/05/27/51/539052751.db2.gz UDOUDZWUMXFWDX-SLBVQIDZSA-N 1 3 277.412 1.646 20 30 CDEDHO C[N@H+](CCNC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594440529 342907111 /nfs/dbraw/zinc/90/71/11/342907111.db2.gz DWHJQVPYRILYBH-OAHLLOKOSA-N 1 3 294.443 1.778 20 30 CDEDHO C[N@@H+](CCNC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594440529 342907112 /nfs/dbraw/zinc/90/71/12/342907112.db2.gz DWHJQVPYRILYBH-OAHLLOKOSA-N 1 3 294.443 1.778 20 30 CDEDHO CC[NH+](CC)CCCNC[C@H](O)CC(C)(C)C#N ZINC000598705056 343877310 /nfs/dbraw/zinc/87/73/10/343877310.db2.gz XSKQKYVMPAQHGD-CYBMUJFWSA-N 1 3 255.406 1.609 20 30 CDEDHO CCN(CC)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598705056 343877311 /nfs/dbraw/zinc/87/73/11/343877311.db2.gz XSKQKYVMPAQHGD-CYBMUJFWSA-N 1 3 255.406 1.609 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000598715243 343880994 /nfs/dbraw/zinc/88/09/94/343880994.db2.gz NLRXHVLOSYOTJC-MJBXVCDLSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000598715243 343880996 /nfs/dbraw/zinc/88/09/96/343880996.db2.gz NLRXHVLOSYOTJC-MJBXVCDLSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000598720416 343883182 /nfs/dbraw/zinc/88/31/82/343883182.db2.gz MXNAOBFQVXGZPJ-HNNXBMFYSA-N 1 3 279.428 1.751 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1F ZINC000264059839 362953522 /nfs/dbraw/zinc/95/35/22/362953522.db2.gz CJLJFJJJZUQBGW-AWEZNQCLSA-N 1 3 292.402 1.757 20 30 CDEDHO CCNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264070926 362957901 /nfs/dbraw/zinc/95/79/01/362957901.db2.gz DCQJNKUQYXZKSM-UHFFFAOYSA-N 1 3 280.441 1.884 20 30 CDEDHO CCNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264087967 362962974 /nfs/dbraw/zinc/96/29/74/362962974.db2.gz KBFJKCYACZQIIJ-UHFFFAOYSA-N 1 3 264.373 1.051 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)c1 ZINC000264121347 362972053 /nfs/dbraw/zinc/97/20/53/362972053.db2.gz REWBLMRRZVSQND-CQSZACIVSA-N 1 3 290.411 1.584 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(CC)CC[NH3+])CC1 ZINC000626970099 367104047 /nfs/dbraw/zinc/10/40/47/367104047.db2.gz GOVSTEYGTPVUBQ-UHFFFAOYSA-N 1 3 268.405 1.017 20 30 CDEDHO C[C@@H](C(=O)N(C)CCC#N)N1CCC(CC[NH+](C)C)CC1 ZINC000056524045 375805184 /nfs/dbraw/zinc/80/51/84/375805184.db2.gz HGZHOSATSWDEAQ-AWEZNQCLSA-N 1 3 294.443 1.411 20 30 CDEDHO C=CCOCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638973052 376302581 /nfs/dbraw/zinc/30/25/81/376302581.db2.gz XBCJCBKRFCEEQV-UHFFFAOYSA-N 1 3 256.390 1.014 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000417518295 377791054 /nfs/dbraw/zinc/79/10/54/377791054.db2.gz BCLBPINBANOYHO-ZFWWWQNUSA-N 1 3 294.443 1.467 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)C(C)C ZINC000296361814 378727910 /nfs/dbraw/zinc/72/79/10/378727910.db2.gz JNMOQIMRTKKLRF-ZBFHGGJFSA-N 1 3 293.455 1.942 20 30 CDEDHO CN(CCCNC(=[NH2+])N1CCOCC1)Cc1ccccc1 ZINC000104157418 390485518 /nfs/dbraw/zinc/48/55/18/390485518.db2.gz VFQFBJDKVVUXRT-UHFFFAOYSA-N 1 3 290.411 1.155 20 30 CDEDHO COC[C@@H](C)NC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000104171801 390485548 /nfs/dbraw/zinc/48/55/48/390485548.db2.gz SODNPJNBTHWRIQ-GFCCVEGCSA-N 1 3 278.400 1.187 20 30 CDEDHO CCN1CCN(CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442724361 391747823 /nfs/dbraw/zinc/74/78/23/391747823.db2.gz ZHCQOTVYWMMBRQ-HZPDHXFCSA-N 1 3 278.444 1.686 20 30 CDEDHO C[C@H](NCCOCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000219309872 140166905 /nfs/dbraw/zinc/16/69/05/140166905.db2.gz DXMHCROVGHYAJX-ZDUSSCGKSA-N 1 3 261.369 1.787 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357959074 266389462 /nfs/dbraw/zinc/38/94/62/266389462.db2.gz ODZDJLCLEXPMMZ-CQSZACIVSA-N 1 3 296.459 1.665 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357959074 266389465 /nfs/dbraw/zinc/38/94/65/266389465.db2.gz ODZDJLCLEXPMMZ-CQSZACIVSA-N 1 3 296.459 1.665 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367664014 267107148 /nfs/dbraw/zinc/10/71/48/267107148.db2.gz HQEGTDCZWUBXKZ-WMLDXEAASA-N 1 3 291.439 1.533 20 30 CDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1 ZINC000103211855 270234214 /nfs/dbraw/zinc/23/42/14/270234214.db2.gz DQIXKOHKZYJHCV-UHFFFAOYSA-N 1 3 288.395 1.124 20 30 CDEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000333562042 303160607 /nfs/dbraw/zinc/16/06/07/303160607.db2.gz LCTLRSRZJIOKLK-XLWJZTARSA-N 1 3 263.385 1.425 20 30 CDEDHO CC/[NH+]=C(\N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262492973 330017437 /nfs/dbraw/zinc/01/74/37/330017437.db2.gz VLOPYUZIBBOTSW-LTOKCNDWSA-N 1 3 252.406 1.484 20 30 CDEDHO CC[NH+]=C(NC[C@H](C)N1CCCC[C@H]1C)NC1CC1 ZINC000263226637 330049829 /nfs/dbraw/zinc/04/98/29/330049829.db2.gz GRXDIPOLAIPMTQ-OLZOCXBDSA-N 1 3 266.433 1.967 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000424125632 330258723 /nfs/dbraw/zinc/25/87/23/330258723.db2.gz ALDICFSKARGKKG-OAHLLOKOSA-N 1 3 292.427 1.484 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424144884 330290020 /nfs/dbraw/zinc/29/00/20/330290020.db2.gz MLKFKSXUOIWHBE-CABCVRRESA-N 1 3 292.427 1.342 20 30 CDEDHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)CCCC#N ZINC000424149278 330295815 /nfs/dbraw/zinc/29/58/15/330295815.db2.gz WFAXKFDTVMQBKM-UONOGXRCSA-N 1 3 280.416 1.340 20 30 CDEDHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](N)CCCC#N ZINC000424149278 330295816 /nfs/dbraw/zinc/29/58/16/330295816.db2.gz WFAXKFDTVMQBKM-UONOGXRCSA-N 1 3 280.416 1.340 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000490604074 332094760 /nfs/dbraw/zinc/09/47/60/332094760.db2.gz HKHPGJBVYRMPFH-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC000763952850 576767848 /nfs/dbraw/zinc/76/78/48/576767848.db2.gz NSHOVASCSJEWME-UHFFFAOYSA-N 1 3 253.390 1.096 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974993598 613036895 /nfs/dbraw/zinc/03/68/95/613036895.db2.gz IPZIQQDOUJYXPT-HNNXBMFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560783 613632192 /nfs/dbraw/zinc/63/21/92/613632192.db2.gz LAUCZLNGWYUHPY-HZSPNIEDSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560783 613632193 /nfs/dbraw/zinc/63/21/93/613632193.db2.gz LAUCZLNGWYUHPY-HZSPNIEDSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CCNC(NC[C@@H]1CN2CCC[C@H]2CO1)=[NH+]C(C)(C)C ZINC000912496757 630029965 /nfs/dbraw/zinc/02/99/65/630029965.db2.gz FKHHKGCKUPAKBK-UONOGXRCSA-N 1 3 294.443 1.369 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135007 1163579061 /nfs/dbraw/zinc/57/90/61/1163579061.db2.gz JSTXPABNSBPSST-UONOGXRCSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCC[N@@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001698997233 1176027388 /nfs/dbraw/zinc/02/73/88/1176027388.db2.gz VULMZJZJSPWSRN-ZDUSSCGKSA-N 1 3 255.406 1.293 20 30 CDEDHO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](CC)N(C)C ZINC001698997233 1176027398 /nfs/dbraw/zinc/02/73/98/1176027398.db2.gz VULMZJZJSPWSRN-ZDUSSCGKSA-N 1 3 255.406 1.293 20 30 CDEDHO C=C(C)C[N@H+](C)CCCNC(=O)Cc1nc[nH]c1C ZINC001752103676 1184820837 /nfs/dbraw/zinc/82/08/37/1184820837.db2.gz IWNHWPHITAOVTJ-UHFFFAOYSA-N 1 3 264.373 1.275 20 30 CDEDHO C=C(C)C[N@@H+](C)CCCNC(=O)Cc1nc[nH]c1C ZINC001752103676 1184820842 /nfs/dbraw/zinc/82/08/42/1184820842.db2.gz IWNHWPHITAOVTJ-UHFFFAOYSA-N 1 3 264.373 1.275 20 30 CDEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752516874 1184875484 /nfs/dbraw/zinc/87/54/84/1184875484.db2.gz IVAOJQQSPNTLQE-CQSZACIVSA-N 1 3 290.411 1.699 20 30 CDEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752516874 1184875491 /nfs/dbraw/zinc/87/54/91/1184875491.db2.gz IVAOJQQSPNTLQE-CQSZACIVSA-N 1 3 290.411 1.699 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755391342 1185939654 /nfs/dbraw/zinc/93/96/54/1185939654.db2.gz JENOXHRIZAUGRT-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052869434 705612652 /nfs/dbraw/zinc/61/26/52/705612652.db2.gz DONUAEPCMYVYFO-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052869434 705612655 /nfs/dbraw/zinc/61/26/55/705612655.db2.gz DONUAEPCMYVYFO-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045638552 705731293 /nfs/dbraw/zinc/73/12/93/705731293.db2.gz GTFQTJJLQZKIRW-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045638552 705731294 /nfs/dbraw/zinc/73/12/94/705731294.db2.gz GTFQTJJLQZKIRW-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000813618490 705859987 /nfs/dbraw/zinc/85/99/87/705859987.db2.gz LUAALNQZTWDPFI-HNNXBMFYSA-N 1 3 293.386 1.662 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046328429 705901421 /nfs/dbraw/zinc/90/14/21/705901421.db2.gz DSTYBCLJNBZGLO-FMKPAKJESA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046328429 705901425 /nfs/dbraw/zinc/90/14/25/705901425.db2.gz DSTYBCLJNBZGLO-FMKPAKJESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001000187330 705959164 /nfs/dbraw/zinc/95/91/64/705959164.db2.gz WXMVIUNYLQQJIU-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC000996137843 706206705 /nfs/dbraw/zinc/20/67/05/706206705.db2.gz SHMSVGRAQKTHHS-AWEZNQCLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041678190 709732525 /nfs/dbraw/zinc/73/25/25/709732525.db2.gz HCLZMBPNVLWILU-RDJZCZTQSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041678190 709732534 /nfs/dbraw/zinc/73/25/34/709732534.db2.gz HCLZMBPNVLWILU-RDJZCZTQSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986352525 709804353 /nfs/dbraw/zinc/80/43/53/709804353.db2.gz HJJGZLFVKONQBD-UKRRQHHQSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001054742264 709810491 /nfs/dbraw/zinc/81/04/91/709810491.db2.gz YUCMIDXDXOCGJO-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)SC ZINC000305183872 709814398 /nfs/dbraw/zinc/81/43/98/709814398.db2.gz DBTDTWONIPRVOZ-QWRGUYRKSA-N 1 3 258.435 1.127 20 30 CDEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696124 709853110 /nfs/dbraw/zinc/85/31/10/709853110.db2.gz XRQYJGSMHWZBOX-CVEARBPZSA-N 1 3 291.439 1.580 20 30 CDEDHO C[NH+](C)CC1(O)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000931481071 709854572 /nfs/dbraw/zinc/85/45/72/709854572.db2.gz CIIUBEIGMWGBJA-OLZOCXBDSA-N 1 3 251.374 1.067 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001020151026 709861805 /nfs/dbraw/zinc/86/18/05/709861805.db2.gz IGKWMDGWYLJDCN-HDJSIYSDSA-N 1 3 277.412 1.121 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020589732 709878642 /nfs/dbraw/zinc/87/86/42/709878642.db2.gz APYPPARTUZCILN-XJKCOSOUSA-N 1 3 295.402 1.069 20 30 CDEDHO CCOCCCNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000104153831 709904792 /nfs/dbraw/zinc/90/47/92/709904792.db2.gz WBQUIGCPPBDBKH-UHFFFAOYSA-N 1 3 272.437 1.436 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217079 710054905 /nfs/dbraw/zinc/05/49/05/710054905.db2.gz OPCBLJGUIVZPRT-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217079 710054911 /nfs/dbraw/zinc/05/49/11/710054911.db2.gz OPCBLJGUIVZPRT-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2CC)CC1(C)C ZINC000996669470 710055247 /nfs/dbraw/zinc/05/52/47/710055247.db2.gz GAKQBEBWIFIQNO-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1ccc(C#N)cn1 ZINC000925893134 710172685 /nfs/dbraw/zinc/17/26/85/710172685.db2.gz LQNVXTVSTLYCQQ-GXTWGEPZSA-N 1 3 273.384 1.343 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995920943 710229350 /nfs/dbraw/zinc/22/93/50/710229350.db2.gz WOVKYGNWKXXFMI-HNNXBMFYSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001376588 710292143 /nfs/dbraw/zinc/29/21/43/710292143.db2.gz OUXSCGPAUFMXSF-UHFFFAOYSA-N 1 3 275.396 1.017 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC000820196646 710359861 /nfs/dbraw/zinc/35/98/61/710359861.db2.gz GPEIPHMSUKVVAZ-UHFFFAOYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038622267 710586674 /nfs/dbraw/zinc/58/66/74/710586674.db2.gz IPQNYPFAQVHYKE-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001038622267 710586677 /nfs/dbraw/zinc/58/66/77/710586677.db2.gz IPQNYPFAQVHYKE-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1C[NH+](C)C ZINC000876712428 710747980 /nfs/dbraw/zinc/74/79/80/710747980.db2.gz RGRSXYAIBFXXDJ-AWEZNQCLSA-N 1 3 295.814 1.834 20 30 CDEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998188817 710802416 /nfs/dbraw/zinc/80/24/16/710802416.db2.gz KNKFRTSLCQOKFH-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998188817 710802419 /nfs/dbraw/zinc/80/24/19/710802419.db2.gz KNKFRTSLCQOKFH-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021088331 711595233 /nfs/dbraw/zinc/59/52/33/711595233.db2.gz NAHVPBJNQXNBQE-AAVRWANBSA-N 1 3 299.846 1.849 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015859021 711704126 /nfs/dbraw/zinc/70/41/26/711704126.db2.gz ZTBNWMOYOMNZKV-QGZVFWFLSA-N 1 3 299.418 1.576 20 30 CDEDHO C#CCCN1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032095051 711704413 /nfs/dbraw/zinc/70/44/13/711704413.db2.gz UAQHSGZLFIPXKC-UHFFFAOYSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884657 711732408 /nfs/dbraw/zinc/73/24/08/711732408.db2.gz NWZRGYRAVUNVSM-LSDHHAIUSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001005416637 711816362 /nfs/dbraw/zinc/81/63/62/711816362.db2.gz WKBSKQYZBXFHSL-JKSUJKDBSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005416637 711816363 /nfs/dbraw/zinc/81/63/63/711816363.db2.gz WKBSKQYZBXFHSL-JKSUJKDBSA-N 1 3 293.455 1.826 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005994727 711836331 /nfs/dbraw/zinc/83/63/31/711836331.db2.gz HQOYUHQXZHLGPW-OAHLLOKOSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406352 1164848016 /nfs/dbraw/zinc/84/80/16/1164848016.db2.gz AQHSWGYVPCXWOC-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406352 1164848022 /nfs/dbraw/zinc/84/80/22/1164848022.db2.gz AQHSWGYVPCXWOC-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167628331 897097347 /nfs/dbraw/zinc/09/73/47/897097347.db2.gz ZKIHCVIBGSMWGQ-HNNXBMFYSA-N 1 3 279.428 1.369 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345593 909135677 /nfs/dbraw/zinc/13/56/77/909135677.db2.gz RMMJZRJMEYVUSS-UHFFFAOYSA-N 1 3 279.428 1.226 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766209 915751883 /nfs/dbraw/zinc/75/18/83/915751883.db2.gz CMWDKCXUHOPLDQ-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766209 915751897 /nfs/dbraw/zinc/75/18/97/915751897.db2.gz CMWDKCXUHOPLDQ-JKSUJKDBSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180121725 916167637 /nfs/dbraw/zinc/16/76/37/916167637.db2.gz TUZCXZRWHVJBCG-UHFFFAOYSA-N 1 3 269.433 1.780 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181885192 917445227 /nfs/dbraw/zinc/44/52/27/917445227.db2.gz SBBKBTIVJXBREL-IIAWOOMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183241037 918403484 /nfs/dbraw/zinc/40/34/84/918403484.db2.gz ZRKMQHCDUCFZMX-CYBMUJFWSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039174 924026998 /nfs/dbraw/zinc/02/69/98/924026998.db2.gz LDCQOMDBVLPEGR-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039174 924027008 /nfs/dbraw/zinc/02/70/08/924027008.db2.gz LDCQOMDBVLPEGR-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029503 925038916 /nfs/dbraw/zinc/03/89/16/925038916.db2.gz SWUVJSZFTGEMQP-UHFFFAOYSA-N 1 3 253.390 1.049 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088158 937041608 /nfs/dbraw/zinc/04/16/08/937041608.db2.gz PLSCRLFIAQKYKT-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088158 937041610 /nfs/dbraw/zinc/04/16/10/937041610.db2.gz PLSCRLFIAQKYKT-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001490768828 927340074 /nfs/dbraw/zinc/34/00/74/927340074.db2.gz VLCQWOVBXZTMJF-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001490768828 927340085 /nfs/dbraw/zinc/34/00/85/927340085.db2.gz VLCQWOVBXZTMJF-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=N)c1ccc(F)cn1)C2 ZINC001169098597 927698355 /nfs/dbraw/zinc/69/83/55/927698355.db2.gz JMEZHTNUAIYQKD-CNDDSTCGSA-N 1 3 262.332 1.551 20 30 CDEDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=N)c1ccc(F)cn1)C2 ZINC001169098597 927698360 /nfs/dbraw/zinc/69/83/60/927698360.db2.gz JMEZHTNUAIYQKD-CNDDSTCGSA-N 1 3 262.332 1.551 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036879 930614855 /nfs/dbraw/zinc/61/48/55/930614855.db2.gz ZMOKDDRQNCZXKV-RYUDHWBXSA-N 1 3 276.384 1.157 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001121924251 937890629 /nfs/dbraw/zinc/89/06/29/937890629.db2.gz YYCQNDXWEMHEKD-MJBXVCDLSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001122153593 937909389 /nfs/dbraw/zinc/90/93/89/937909389.db2.gz GFHKEBLZFKCQIC-CABCVRRESA-N 1 3 295.427 1.040 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915774 938759942 /nfs/dbraw/zinc/75/99/42/938759942.db2.gz NQSBCOOEVINGPV-ZFWWWQNUSA-N 1 3 281.444 1.777 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203650984 939699743 /nfs/dbraw/zinc/69/97/43/939699743.db2.gz KRTASPXGZVVAKQ-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799193 939791858 /nfs/dbraw/zinc/79/18/58/939791858.db2.gz SJTFOMVHHIBEHH-AWEZNQCLSA-N 1 3 299.846 1.661 20 30 CDEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575103 940342951 /nfs/dbraw/zinc/34/29/51/940342951.db2.gz IMTNFQNYNZIZRZ-BZUAXINKSA-N 1 3 293.455 1.567 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642476 940622342 /nfs/dbraw/zinc/62/23/42/940622342.db2.gz NPVLJDPIRYEMDI-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO Cc1noc([N-]C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1C#N ZINC001218504727 941226044 /nfs/dbraw/zinc/22/60/44/941226044.db2.gz WVBHMVJPCCWJRF-LBPRGKRZSA-N 1 3 293.371 1.289 20 30 CDEDHO Cc1noc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1C#N ZINC001218504727 941226046 /nfs/dbraw/zinc/22/60/46/941226046.db2.gz WVBHMVJPCCWJRF-LBPRGKRZSA-N 1 3 293.371 1.289 20 30 CDEDHO N#Cc1c(NC(=O)[C@@H](N)CCCC[NH3+])sc2c1CCC2 ZINC001218549439 941235201 /nfs/dbraw/zinc/23/52/01/941235201.db2.gz WKUQKKRBSBIIAA-NSHDSACASA-N 1 3 292.408 1.503 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001316604427 942461836 /nfs/dbraw/zinc/46/18/36/942461836.db2.gz MASIXCZXFFVBOH-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001316604427 942461838 /nfs/dbraw/zinc/46/18/38/942461838.db2.gz MASIXCZXFFVBOH-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO COCCC1([NH3+])CCN(C2CCC(C#N)CC2)CC1 ZINC001256962791 948465830 /nfs/dbraw/zinc/46/58/30/948465830.db2.gz YLJFFAWUTMIRTB-UHFFFAOYSA-N 1 3 265.401 1.899 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001340882235 956754806 /nfs/dbraw/zinc/75/48/06/956754806.db2.gz XCLPWAMHHIBMJN-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001340882235 956754799 /nfs/dbraw/zinc/75/47/99/956754799.db2.gz XCLPWAMHHIBMJN-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001366469573 956853886 /nfs/dbraw/zinc/85/38/86/956853886.db2.gz GQBUMGICFANPBQ-GFCCVEGCSA-N 1 3 287.835 1.708 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2cccc(F)c2)CC1 ZINC001335989027 960140559 /nfs/dbraw/zinc/14/05/59/960140559.db2.gz YLXIGTKOHWEJPI-QGZVFWFLSA-N 1 3 290.382 1.936 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001340185665 962802374 /nfs/dbraw/zinc/80/23/74/962802374.db2.gz VYHKHWHJYAWGJV-QWHCGFSZSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC001341641705 963494468 /nfs/dbraw/zinc/49/44/68/963494468.db2.gz CLRHCSXLGTWNPG-CYBMUJFWSA-N 1 3 274.368 1.349 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001341777905 963539585 /nfs/dbraw/zinc/53/95/85/963539585.db2.gz NHPAODGEVWOILQ-OAGGEKHMSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001343085096 963902517 /nfs/dbraw/zinc/90/25/17/963902517.db2.gz KRMJZFKVKMUXRD-OLZOCXBDSA-N 1 3 253.390 1.318 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCC(C)CC1 ZINC001343378484 963962703 /nfs/dbraw/zinc/96/27/03/963962703.db2.gz RTWGKDCGRRSYMQ-CQSZACIVSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001343378484 963962709 /nfs/dbraw/zinc/96/27/09/963962709.db2.gz RTWGKDCGRRSYMQ-CQSZACIVSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC001353507302 968025523 /nfs/dbraw/zinc/02/55/23/968025523.db2.gz BAYOSZXUAMSBAV-QWHCGFSZSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001353726312 968188576 /nfs/dbraw/zinc/18/85/76/968188576.db2.gz AFNZBRGRRGBILE-RDBSUJKOSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001353726312 968188580 /nfs/dbraw/zinc/18/85/80/968188580.db2.gz AFNZBRGRRGBILE-RDBSUJKOSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001354189624 968527943 /nfs/dbraw/zinc/52/79/43/968527943.db2.gz BHCZAFKUVBIHQL-CQSZACIVSA-N 1 3 267.417 1.614 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N(C)CCN1CCCCC1 ZINC001354189624 968527951 /nfs/dbraw/zinc/52/79/51/968527951.db2.gz BHCZAFKUVBIHQL-CQSZACIVSA-N 1 3 267.417 1.614 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100618681 968799919 /nfs/dbraw/zinc/79/99/19/968799919.db2.gz SYQILFRDBOLWHC-UHFFFAOYSA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273629 1163224308 /nfs/dbraw/zinc/22/43/08/1163224308.db2.gz HZGXDHNOXYMZKP-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132884629 1163500339 /nfs/dbraw/zinc/50/03/39/1163500339.db2.gz STYMRUKROWVZKU-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H](O)CC1(C#N)CCC1 ZINC001575452069 1171175935 /nfs/dbraw/zinc/17/59/35/1171175935.db2.gz BWQBXHOSEPYWRE-KGLIPLIRSA-N 1 3 267.417 1.736 20 30 CDEDHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H](O)CC1(C#N)CC1 ZINC001575453560 1171176000 /nfs/dbraw/zinc/17/60/00/1171176000.db2.gz RQZWEQHMFFXIDF-OLZOCXBDSA-N 1 3 253.390 1.346 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1 ZINC000264069185 362956826 /nfs/dbraw/zinc/95/68/26/362956826.db2.gz FVRVXHXNZQXWJL-GJZGRUSLSA-N 1 3 290.411 1.109 20 30 CDEDHO C=CCNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264079819 362960472 /nfs/dbraw/zinc/96/04/72/362960472.db2.gz GYFHIKDNVRSIPW-UHFFFAOYSA-N 1 3 276.384 1.217 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(F)c1 ZINC000264107436 362969769 /nfs/dbraw/zinc/96/97/69/362969769.db2.gz OCSIPXYQAZIQPD-AWEZNQCLSA-N 1 3 278.375 1.714 20 30 CDEDHO CC#CCN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375240326 370799968 /nfs/dbraw/zinc/79/99/68/370799968.db2.gz WWVVYKNJZSEEKS-UHFFFAOYSA-N 1 3 263.429 1.359 20 30 CDEDHO COc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1C#N ZINC000414800107 241394151 /nfs/dbraw/zinc/39/41/51/241394151.db2.gz KSFFKFMCQAWGJA-JSGCOSHPSA-N 1 3 259.353 1.784 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664017713 413022500 /nfs/dbraw/zinc/02/25/00/413022500.db2.gz ZOEHYCGTLSBTAW-CQSZACIVSA-N 1 3 296.459 1.666 20 30 CDEDHO CC(C)CNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000104180669 390486657 /nfs/dbraw/zinc/48/66/57/390486657.db2.gz XQQWXBAKZHXOEG-UHFFFAOYSA-N 1 3 292.427 1.687 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000491393753 391107022 /nfs/dbraw/zinc/10/70/22/391107022.db2.gz JRVVKNKTXGSHSP-UHFFFAOYSA-N 1 3 294.443 1.114 20 30 CDEDHO C=CCC[C@H](O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423716 391162756 /nfs/dbraw/zinc/16/27/56/391162756.db2.gz XDBBLVVNXZIZGV-FXUDXRNXSA-N 1 3 282.428 1.497 20 30 CDEDHO CCNC(=[NH2+])NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277290116 263040564 /nfs/dbraw/zinc/04/05/64/263040564.db2.gz KOPZHEVXRVWRCW-HNNXBMFYSA-N 1 3 290.411 1.202 20 30 CDEDHO C=CCC[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000438987306 263087686 /nfs/dbraw/zinc/08/76/86/263087686.db2.gz PMKRBVHXWHKTMQ-AWEZNQCLSA-N 1 3 252.402 1.778 20 30 CDEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000356999385 266228303 /nfs/dbraw/zinc/22/83/03/266228303.db2.gz BPUHODCCTXOJHU-LSDHHAIUSA-N 1 3 294.443 1.553 20 30 CDEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000356999385 266228305 /nfs/dbraw/zinc/22/83/05/266228305.db2.gz BPUHODCCTXOJHU-LSDHHAIUSA-N 1 3 294.443 1.553 20 30 CDEDHO C[C@@H](NCCSCc1ccccc1C#N)C1C[NH2+]C1 ZINC000422986007 278347977 /nfs/dbraw/zinc/34/79/77/278347977.db2.gz GIATZCNGJPLAKU-GFCCVEGCSA-N 1 3 275.421 1.989 20 30 CDEDHO C[C@@H]([NH2+]CCSCc1ccccc1C#N)C1CNC1 ZINC000422986007 278347979 /nfs/dbraw/zinc/34/79/79/278347979.db2.gz GIATZCNGJPLAKU-GFCCVEGCSA-N 1 3 275.421 1.989 20 30 CDEDHO C=CCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377728203 329027295 /nfs/dbraw/zinc/02/72/95/329027295.db2.gz WRWIMLIZTQGOKA-HNNXBMFYSA-N 1 3 251.418 1.664 20 30 CDEDHO C=CCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377728203 329027297 /nfs/dbraw/zinc/02/72/97/329027297.db2.gz WRWIMLIZTQGOKA-HNNXBMFYSA-N 1 3 251.418 1.664 20 30 CDEDHO C#CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177506164 329185193 /nfs/dbraw/zinc/18/51/93/329185193.db2.gz DSOSVCZMGOFUJZ-GASCZTMLSA-N 1 3 264.413 1.831 20 30 CDEDHO CN1CC=C(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000263165663 330046903 /nfs/dbraw/zinc/04/69/03/330046903.db2.gz PXROODXEQCRHDY-UHFFFAOYSA-N 1 3 264.417 1.875 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422861796 330158170 /nfs/dbraw/zinc/15/81/70/330158170.db2.gz OZRPNIFITHOFSS-HUUCEWRRSA-N 1 3 251.418 1.886 20 30 CDEDHO C[N@H+](CCNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424132034 330264198 /nfs/dbraw/zinc/26/41/98/330264198.db2.gz KBAGIWOVEGRSGX-AWEZNQCLSA-N 1 3 280.416 1.388 20 30 CDEDHO C[N@@H+](CCNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424132034 330264200 /nfs/dbraw/zinc/26/42/00/330264200.db2.gz KBAGIWOVEGRSGX-AWEZNQCLSA-N 1 3 280.416 1.388 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000491373826 332199693 /nfs/dbraw/zinc/19/96/93/332199693.db2.gz OVUIJAMRZZVYPG-OAHLLOKOSA-N 1 3 294.443 1.115 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001755604508 1160305805 /nfs/dbraw/zinc/30/58/05/1160305805.db2.gz XCOKVQIUHBVTDY-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000352815313 526592172 /nfs/dbraw/zinc/59/21/72/526592172.db2.gz ATXDRGDJZCCABB-ZDUSSCGKSA-N 1 3 282.432 1.276 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971679777 613290304 /nfs/dbraw/zinc/29/03/04/613290304.db2.gz UYZFVHBTVXLCTN-GJZGRUSLSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971679777 613290306 /nfs/dbraw/zinc/29/03/06/613290306.db2.gz UYZFVHBTVXLCTN-GJZGRUSLSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149206 613332691 /nfs/dbraw/zinc/33/26/91/613332691.db2.gz CQISJQQWZZRVDI-HOCLYGCPSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961465000 613562154 /nfs/dbraw/zinc/56/21/54/613562154.db2.gz OWWMGHJTFVQQLS-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961465000 613562155 /nfs/dbraw/zinc/56/21/55/613562155.db2.gz OWWMGHJTFVQQLS-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734363 613628670 /nfs/dbraw/zinc/62/86/70/613628670.db2.gz XPYYUTBFUYWQGU-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734363 613628672 /nfs/dbraw/zinc/62/86/72/613628672.db2.gz XPYYUTBFUYWQGU-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000970796678 613865267 /nfs/dbraw/zinc/86/52/67/613865267.db2.gz PJCWWOQFDZNYMK-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706100 1164169941 /nfs/dbraw/zinc/16/99/41/1164169941.db2.gz OXCPGBJPLQXHIR-KGLIPLIRSA-N 1 3 269.433 1.777 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001732327745 1182907080 /nfs/dbraw/zinc/90/70/80/1182907080.db2.gz UPWCJSQVYYHGSW-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001734298993 1183719295 /nfs/dbraw/zinc/71/92/95/1183719295.db2.gz RNSAAEFRBMSCOU-CABCVRRESA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001753460319 1184545816 /nfs/dbraw/zinc/54/58/16/1184545816.db2.gz VSRBEFCIOJUEKN-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001753460319 1184545821 /nfs/dbraw/zinc/54/58/21/1184545821.db2.gz VSRBEFCIOJUEKN-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001752952360 1184974950 /nfs/dbraw/zinc/97/49/50/1184974950.db2.gz XITSBXVECKUXIQ-OAHLLOKOSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCN(CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001753160169 1185092425 /nfs/dbraw/zinc/09/24/25/1185092425.db2.gz UOYDHRZXAPILQO-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN(CCNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001753160169 1185092428 /nfs/dbraw/zinc/09/24/28/1185092428.db2.gz UOYDHRZXAPILQO-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001753632179 1185277855 /nfs/dbraw/zinc/27/78/55/1185277855.db2.gz ITCJKGVNICDUKB-LSDHHAIUSA-N 1 3 279.428 1.226 20 30 CDEDHO C=C(C)C[NH2+]C/C=C/CNC(=O)CN1CC[C@H](C)C1 ZINC001754173035 1185491629 /nfs/dbraw/zinc/49/16/29/1185491629.db2.gz FUHOSLNTBAXAFH-NNTXTVRGSA-N 1 3 265.401 1.166 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001022070201 711872091 /nfs/dbraw/zinc/87/20/91/711872091.db2.gz RVVMGJOXKIUTGG-QLFBSQMISA-N 1 3 279.428 1.672 20 30 CDEDHO C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046318273 711903915 /nfs/dbraw/zinc/90/39/15/711903915.db2.gz WRWRLTZAAOIORC-RDJZCZTQSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046318273 711903916 /nfs/dbraw/zinc/90/39/16/711903916.db2.gz WRWRLTZAAOIORC-RDJZCZTQSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996311354 711987298 /nfs/dbraw/zinc/98/72/98/711987298.db2.gz RZKWHNQQDRYZKN-AWEZNQCLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632310 711987782 /nfs/dbraw/zinc/98/77/82/711987782.db2.gz XDJVSEOLGNIRFG-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038632310 711987783 /nfs/dbraw/zinc/98/77/83/711987783.db2.gz XDJVSEOLGNIRFG-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054664292 712072675 /nfs/dbraw/zinc/07/26/75/712072675.db2.gz XRJOGXZSUANRTJ-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015999406 712085306 /nfs/dbraw/zinc/08/53/06/712085306.db2.gz VBRCWEVWNDYEEE-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015999406 712085312 /nfs/dbraw/zinc/08/53/12/712085312.db2.gz VBRCWEVWNDYEEE-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995924614 712399224 /nfs/dbraw/zinc/39/92/24/712399224.db2.gz IHQSAVHXAIVPAL-CABCVRRESA-N 1 3 295.471 1.975 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001033365642 712436830 /nfs/dbraw/zinc/43/68/30/712436830.db2.gz JFQNXBAONNFWTM-CQSZACIVSA-N 1 3 291.395 1.674 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001033365642 712436833 /nfs/dbraw/zinc/43/68/33/712436833.db2.gz JFQNXBAONNFWTM-CQSZACIVSA-N 1 3 291.395 1.674 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033472073 712521536 /nfs/dbraw/zinc/52/15/36/712521536.db2.gz RLSBTMBRGXUPQC-HNNXBMFYSA-N 1 3 279.428 1.437 20 30 CDEDHO CC#CCN1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072081145 712524498 /nfs/dbraw/zinc/52/44/98/712524498.db2.gz HHIPFQFUDGZMFA-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249221 913713345 /nfs/dbraw/zinc/71/33/45/913713345.db2.gz CTISVYTVVTVCML-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209474635 894747934 /nfs/dbraw/zinc/74/79/34/894747934.db2.gz IEGBJXLWDZVRDB-LSDHHAIUSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104290057 895390348 /nfs/dbraw/zinc/39/03/48/895390348.db2.gz ZGNFSRDVGCDBFO-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633592 914081268 /nfs/dbraw/zinc/08/12/68/914081268.db2.gz OCQBRZAEBUFVIN-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088327642 906903540 /nfs/dbraw/zinc/90/35/40/906903540.db2.gz SODKEQIIGYXNNH-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985647943 906945114 /nfs/dbraw/zinc/94/51/14/906945114.db2.gz SBJIMHGGLLIMJJ-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985647943 906945127 /nfs/dbraw/zinc/94/51/27/906945127.db2.gz SBJIMHGGLLIMJJ-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088381750 907064993 /nfs/dbraw/zinc/06/49/93/907064993.db2.gz LJZHAALYTONQJG-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001088383766 907081495 /nfs/dbraw/zinc/08/14/95/907081495.db2.gz MHMUBMYOWZKIEZ-GJZGRUSLSA-N 1 3 279.428 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989491424 908910233 /nfs/dbraw/zinc/91/02/33/908910233.db2.gz GKCPORUCFUACNC-WCQYABFASA-N 1 3 262.357 1.107 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178759227 915616294 /nfs/dbraw/zinc/61/62/94/915616294.db2.gz AKZKOQBAGWZOGI-INIZCTEOSA-N 1 3 295.471 1.862 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178985835 915720268 /nfs/dbraw/zinc/72/02/68/915720268.db2.gz ZUZACUGKTDSHJA-SOUVJXGZSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179763912 915976947 /nfs/dbraw/zinc/97/69/47/915976947.db2.gz PWWGVOGOAZODEC-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052711978 936397649 /nfs/dbraw/zinc/39/76/49/936397649.db2.gz CIDJBEOSIPIQBI-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052711978 936397653 /nfs/dbraw/zinc/39/76/53/936397653.db2.gz CIDJBEOSIPIQBI-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181884616 917445565 /nfs/dbraw/zinc/44/55/65/917445565.db2.gz HMLIQFTZLUSWTQ-BFYDXBDKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001001401180 936551528 /nfs/dbraw/zinc/55/15/28/936551528.db2.gz CAIMVCDVXRTSJG-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050545398 936561164 /nfs/dbraw/zinc/56/11/64/936561164.db2.gz DRHJTGZVOBPKNU-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050564616 936561210 /nfs/dbraw/zinc/56/12/10/936561210.db2.gz SKDDTUBRQIOGQK-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973719 936648933 /nfs/dbraw/zinc/64/89/33/936648933.db2.gz MZMUEPLKIXCTQL-UHFFFAOYSA-N 1 3 293.455 1.712 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188118135 920844150 /nfs/dbraw/zinc/84/41/50/920844150.db2.gz JOWTZFGBRWACMM-MRXNPFEDSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035731870 923041163 /nfs/dbraw/zinc/04/11/63/923041163.db2.gz PKZNAMHUZUQVAD-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550642 923126702 /nfs/dbraw/zinc/12/67/02/923126702.db2.gz JWQJYJAGEFRZGL-AWEZNQCLSA-N 1 3 276.384 1.451 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550642 923126713 /nfs/dbraw/zinc/12/67/13/923126713.db2.gz JWQJYJAGEFRZGL-AWEZNQCLSA-N 1 3 276.384 1.451 20 30 CDEDHO C=CCOCCN(C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193291211 923591612 /nfs/dbraw/zinc/59/16/12/923591612.db2.gz FYZXDWSTPVHVLE-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCOCCN(C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193291211 923591623 /nfs/dbraw/zinc/59/16/23/923591623.db2.gz FYZXDWSTPVHVLE-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036614 924024752 /nfs/dbraw/zinc/02/47/52/924024752.db2.gz AZJGKXFBWAVADS-AWEZNQCLSA-N 1 3 265.401 1.191 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036614 924024764 /nfs/dbraw/zinc/02/47/64/924024764.db2.gz AZJGKXFBWAVADS-AWEZNQCLSA-N 1 3 265.401 1.191 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377267 937054912 /nfs/dbraw/zinc/05/49/12/937054912.db2.gz WSJJRCBKNBSVEJ-MCIONIFRSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377267 937054914 /nfs/dbraw/zinc/05/49/14/937054914.db2.gz WSJJRCBKNBSVEJ-MCIONIFRSA-N 1 3 267.417 1.197 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CCCO1 ZINC001201930529 926424183 /nfs/dbraw/zinc/42/41/83/926424183.db2.gz COLJPNYGPCWFLS-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688349 929009081 /nfs/dbraw/zinc/00/90/81/929009081.db2.gz KTWJBLJFLZOQDL-FXUDXRNXSA-N 1 3 291.439 1.317 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCC(C)C)CC1 ZINC001152323903 937353585 /nfs/dbraw/zinc/35/35/85/937353585.db2.gz HCZVDDZFXIYVAS-UHFFFAOYSA-N 1 3 293.455 1.474 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134606982 929814835 /nfs/dbraw/zinc/81/48/35/929814835.db2.gz CFASDGXBKHMMLL-KGLIPLIRSA-N 1 3 279.428 1.367 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115593215 937398221 /nfs/dbraw/zinc/39/82/21/937398221.db2.gz CIQURXBHNVMJKX-OAHLLOKOSA-N 1 3 293.455 1.759 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743596 930394132 /nfs/dbraw/zinc/39/41/32/930394132.db2.gz MTAJNABNAFSXCB-OLZOCXBDSA-N 1 3 289.851 1.954 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032248 930610413 /nfs/dbraw/zinc/61/04/13/930610413.db2.gz YAYDOUOJKUPZEE-RYUDHWBXSA-N 1 3 278.400 1.710 20 30 CDEDHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCC#N)cc1 ZINC000817965903 930636675 /nfs/dbraw/zinc/63/66/75/930636675.db2.gz WWKQOFUCEAIRCT-ABAIWWIYSA-N 1 3 259.353 1.977 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924657017 932809444 /nfs/dbraw/zinc/80/94/44/932809444.db2.gz FEIRNYLTCZNVNV-HNNXBMFYSA-N 1 3 280.460 1.932 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001019394501 935704208 /nfs/dbraw/zinc/70/42/08/935704208.db2.gz JODPGZBIRNOZAJ-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712280 935802787 /nfs/dbraw/zinc/80/27/87/935802787.db2.gz MMZNLAIQGYLFFB-INIZCTEOSA-N 1 3 288.395 1.453 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712280 935802792 /nfs/dbraw/zinc/80/27/92/935802792.db2.gz MMZNLAIQGYLFFB-INIZCTEOSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001121916489 937890020 /nfs/dbraw/zinc/89/00/20/937890020.db2.gz AHCQRRZQCXKFRY-ZIAGYGMSSA-N 1 3 265.401 1.367 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158118236 938585182 /nfs/dbraw/zinc/58/51/82/938585182.db2.gz WHNBFXVYXOHKIW-HZPDHXFCSA-N 1 3 293.455 1.663 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158118236 938585183 /nfs/dbraw/zinc/58/51/83/938585183.db2.gz WHNBFXVYXOHKIW-HZPDHXFCSA-N 1 3 293.455 1.663 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(C)c(C#N)cn1 ZINC001163125505 939205809 /nfs/dbraw/zinc/20/58/09/939205809.db2.gz DFZJZXBQDHBHIV-UHFFFAOYSA-N 1 3 274.372 1.540 20 30 CDEDHO C#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165609852 939572256 /nfs/dbraw/zinc/57/22/56/939572256.db2.gz LSDKIJDHIXDZMD-AWEZNQCLSA-N 1 3 279.428 1.082 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208374499 940325403 /nfs/dbraw/zinc/32/54/03/940325403.db2.gz ZCYGRDPZQFFICG-GJZGRUSLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210219673 940672674 /nfs/dbraw/zinc/67/26/74/940672674.db2.gz TUZOYTMJBRCPBU-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)ccn3)[C@@H]2C1 ZINC001276688109 940704576 /nfs/dbraw/zinc/70/45/76/940704576.db2.gz LKOBZQBXNLDVIM-DOTOQJQBSA-N 1 3 299.422 1.021 20 30 CDEDHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)ccn3)[C@@H]2C1 ZINC001276688109 940704577 /nfs/dbraw/zinc/70/45/77/940704577.db2.gz LKOBZQBXNLDVIM-DOTOQJQBSA-N 1 3 299.422 1.021 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1C ZINC001214754802 940838297 /nfs/dbraw/zinc/83/82/97/940838297.db2.gz HSBVJFLGBJEYTR-QLFBSQMISA-N 1 3 297.418 1.126 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473755 940888345 /nfs/dbraw/zinc/88/83/45/940888345.db2.gz GDVAFJRPNIBMIK-BZUAXINKSA-N 1 3 295.471 1.975 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H](C#N)c1ccccc1 ZINC001219558880 941355014 /nfs/dbraw/zinc/35/50/14/941355014.db2.gz YUJMNWHZSCFRBA-LSDHHAIUSA-N 1 3 288.395 1.427 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560383 941771187 /nfs/dbraw/zinc/77/11/87/941771187.db2.gz SMTIWLBASUAHNC-HNNXBMFYSA-N 1 3 293.455 1.733 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001224592926 941774782 /nfs/dbraw/zinc/77/47/82/941774782.db2.gz WPEPFYJGUCXJAA-HNNXBMFYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228646533 942347724 /nfs/dbraw/zinc/34/77/24/942347724.db2.gz HKBQXPAWCHHGDU-MCIONIFRSA-N 1 3 267.417 1.530 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC001263092641 943741371 /nfs/dbraw/zinc/74/13/71/943741371.db2.gz ZNZJCGKEYPMQNG-GFCCVEGCSA-N 1 3 255.406 1.374 20 30 CDEDHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1C#N)N(C)C ZINC001262565779 946715262 /nfs/dbraw/zinc/71/52/62/946715262.db2.gz WEFQFJVHPYEZLR-ZFWWWQNUSA-N 1 3 291.395 1.228 20 30 CDEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246417740 948164804 /nfs/dbraw/zinc/16/48/04/948164804.db2.gz OTDBTNFDDVAMHV-DOMZBBRYSA-N 1 3 288.395 1.062 20 30 CDEDHO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246466595 948188747 /nfs/dbraw/zinc/18/87/47/948188747.db2.gz PIKUSOGXNDXEOU-UKRRQHHQSA-N 1 3 295.427 1.751 20 30 CDEDHO C=CCOC[C@@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC001252494539 951366313 /nfs/dbraw/zinc/36/63/13/951366313.db2.gz YYYMKRVMMBPTFT-HNNXBMFYSA-N 1 3 270.417 1.260 20 30 CDEDHO C=CCC[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001492084981 955646465 /nfs/dbraw/zinc/64/64/65/955646465.db2.gz HLOOIXLTXQLJAH-KGLIPLIRSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001340103618 962743350 /nfs/dbraw/zinc/74/33/50/962743350.db2.gz AOFPAFJUZRYMAF-KBPBESRZSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC001340103618 962743362 /nfs/dbraw/zinc/74/33/62/962743362.db2.gz AOFPAFJUZRYMAF-KBPBESRZSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001340312127 962883515 /nfs/dbraw/zinc/88/35/15/962883515.db2.gz MAYIZURVVVLHSX-STQMWFEESA-N 1 3 253.390 1.318 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001340350575 962902433 /nfs/dbraw/zinc/90/24/33/962902433.db2.gz XYUKSGDAIYSIKR-KBPBESRZSA-N 1 3 273.380 1.587 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001340753165 963107956 /nfs/dbraw/zinc/10/79/56/963107956.db2.gz OCBJVYGQWVCFLR-WTUNAVPPSA-N 1 3 265.401 1.411 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001340753165 963107967 /nfs/dbraw/zinc/10/79/67/963107967.db2.gz OCBJVYGQWVCFLR-WTUNAVPPSA-N 1 3 265.401 1.411 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001521434202 970296678 /nfs/dbraw/zinc/29/66/78/970296678.db2.gz XIJCKXQHIVMKAG-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001521434202 970296681 /nfs/dbraw/zinc/29/66/81/970296681.db2.gz XIJCKXQHIVMKAG-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345941 1163648416 /nfs/dbraw/zinc/64/84/16/1163648416.db2.gz IITZCZJDWZICRK-JKSUJKDBSA-N 1 3 295.471 1.977 20 30 CDEDHO CCNC(=[NH2+])NCC[C@H](C)N(C)Cc1ccccc1 ZINC000083052694 342111130 /nfs/dbraw/zinc/11/11/30/342111130.db2.gz UTJJFBSFFKPLCY-ZDUSSCGKSA-N 1 3 262.401 1.821 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612972175 347349859 /nfs/dbraw/zinc/34/98/59/347349859.db2.gz YXGPMTPRSNACPC-AWEZNQCLSA-N 1 3 292.427 1.078 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417528533 377876982 /nfs/dbraw/zinc/87/69/82/377876982.db2.gz OXRKNTBKAVBHFV-OAHLLOKOSA-N 1 3 296.459 1.652 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417541451 377937408 /nfs/dbraw/zinc/93/74/08/377937408.db2.gz RKBZLOWMVOQBRN-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000104171796 390485556 /nfs/dbraw/zinc/48/55/56/390485556.db2.gz SODNPJNBTHWRIQ-LBPRGKRZSA-N 1 3 278.400 1.187 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000236913677 390486641 /nfs/dbraw/zinc/48/66/41/390486641.db2.gz PXSYTPUNOQGUJF-YPMHNXCESA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000370844461 390590337 /nfs/dbraw/zinc/59/03/37/390590337.db2.gz VFLPWEOQKHFDPC-OAHLLOKOSA-N 1 3 265.401 1.143 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426418 391298813 /nfs/dbraw/zinc/29/88/13/391298813.db2.gz LTIXMJNNUMGXEL-GJZGRUSLSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426418 391298819 /nfs/dbraw/zinc/29/88/19/391298819.db2.gz LTIXMJNNUMGXEL-GJZGRUSLSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000519753915 391700533 /nfs/dbraw/zinc/70/05/33/391700533.db2.gz ZIAKMVYEIZHYLM-CQSZACIVSA-N 1 3 294.443 1.326 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000285806909 391721102 /nfs/dbraw/zinc/72/11/02/391721102.db2.gz QYFFMOSQXPQFKJ-KGLIPLIRSA-N 1 3 267.417 1.396 20 30 CDEDHO C[NH+]=C(NCc1ccco1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158356592 261163893 /nfs/dbraw/zinc/16/38/93/261163893.db2.gz GWOHDYFMUBRRGL-OCCSQVGLSA-N 1 3 278.400 1.673 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001666804682 1173186471 /nfs/dbraw/zinc/18/64/71/1173186471.db2.gz MXZWEJBALRWZGI-OAHLLOKOSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CCN1CC[C@H](N(C)C[C@H]2CC[NH2+][C@H](C)C2)C1=O ZINC000414756364 263039218 /nfs/dbraw/zinc/03/92/18/263039218.db2.gz QOKZRWFEEKIQMY-RDBSUJKOSA-N 1 3 265.401 1.093 20 30 CDEDHO C#Cc1ccc(CNCCC[N@@H+](C)CCOC)cc1 ZINC000289188396 275387745 /nfs/dbraw/zinc/38/77/45/275387745.db2.gz GQOJFOINQDPTIX-UHFFFAOYSA-N 1 3 260.381 1.726 20 30 CDEDHO C#Cc1ccc(CNCCC[N@H+](C)CCOC)cc1 ZINC000289188396 275387746 /nfs/dbraw/zinc/38/77/46/275387746.db2.gz GQOJFOINQDPTIX-UHFFFAOYSA-N 1 3 260.381 1.726 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[NH2+]C)C(C)C ZINC000285784108 277850139 /nfs/dbraw/zinc/85/01/39/277850139.db2.gz NSMWBITVUDJYCW-CQSZACIVSA-N 1 3 267.417 1.411 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185881511 329334502 /nfs/dbraw/zinc/33/45/02/329334502.db2.gz ATYPTMXMIVOHRM-HZPDHXFCSA-N 1 3 278.444 1.686 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022717076 1159125009 /nfs/dbraw/zinc/12/50/09/1159125009.db2.gz OVXMZCCVNPHPBD-OKILXGFUSA-N 1 3 279.428 1.531 20 30 CDEDHO COC[C@@]1(CNC2CCC(C)(C#N)CC2)CCC[NH2+]1 ZINC000423412424 330197254 /nfs/dbraw/zinc/19/72/54/330197254.db2.gz HQIQXBJTPXMFEC-NRXISQOPSA-N 1 3 265.401 1.817 20 30 CDEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001755385686 1160124634 /nfs/dbraw/zinc/12/46/34/1160124634.db2.gz AYHPCDHMTJHALL-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001755311451 1185911019 /nfs/dbraw/zinc/91/10/19/1185911019.db2.gz OPYDEKJJVMDECK-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000740738200 576512938 /nfs/dbraw/zinc/51/29/38/576512938.db2.gz YMJKDEYSRWZGPS-OAHLLOKOSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC000763043230 576703178 /nfs/dbraw/zinc/70/31/78/576703178.db2.gz OSEJCDATRMMHOY-UHFFFAOYSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCNC(=S)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000751012797 577023099 /nfs/dbraw/zinc/02/30/99/577023099.db2.gz ZVDVUBRQQASLNX-CQSZACIVSA-N 1 3 298.500 1.395 20 30 CDEDHO C=CCNC(=S)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000751012797 577023100 /nfs/dbraw/zinc/02/31/00/577023100.db2.gz ZVDVUBRQQASLNX-CQSZACIVSA-N 1 3 298.500 1.395 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 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293.455 1.757 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CN(CC)CC ZINC001153653830 937459426 /nfs/dbraw/zinc/45/94/26/937459426.db2.gz HJGBQOWHYJCSJG-KGLIPLIRSA-N 1 3 287.423 1.679 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CN(CC)CC ZINC001153653830 937459427 /nfs/dbraw/zinc/45/94/27/937459427.db2.gz HJGBQOWHYJCSJG-KGLIPLIRSA-N 1 3 287.423 1.679 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050367 932912702 /nfs/dbraw/zinc/91/27/02/932912702.db2.gz RZGZNXOXXJRPCV-CJNGLKHVSA-N 1 3 288.395 1.309 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050367 932912707 /nfs/dbraw/zinc/91/27/07/932912707.db2.gz RZGZNXOXXJRPCV-CJNGLKHVSA-N 1 3 288.395 1.309 20 30 CDEDHO C[C@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164491 933048934 /nfs/dbraw/zinc/04/89/34/933048934.db2.gz LDFWGPHIASJASG-GXTWGEPZSA-N 1 3 273.384 1.437 20 30 CDEDHO C[C@H]1C[C@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000927164491 933048937 /nfs/dbraw/zinc/04/89/37/933048937.db2.gz LDFWGPHIASJASG-GXTWGEPZSA-N 1 3 273.384 1.437 20 30 CDEDHO C[C@@H]1CN(CCCC[NH2+]C[C@H](C#N)CCC#N)C[C@@H](C)O1 ZINC001120480897 937802000 /nfs/dbraw/zinc/80/20/00/937802000.db2.gz GYXPYDMQVVQPBJ-OAGGEKHMSA-N 1 3 292.427 1.909 20 30 CDEDHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](C#N)CCC#N)C[C@H](C)O1 ZINC001120480898 937802068 /nfs/dbraw/zinc/80/20/68/937802068.db2.gz GYXPYDMQVVQPBJ-OWCLPIDISA-N 1 3 292.427 1.909 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762608 935412968 /nfs/dbraw/zinc/41/29/68/935412968.db2.gz VAWODYODYMYWHI-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001038622272 935414700 /nfs/dbraw/zinc/41/47/00/935414700.db2.gz IPQNYPFAQVHYKE-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001038622272 935414702 /nfs/dbraw/zinc/41/47/02/935414702.db2.gz IPQNYPFAQVHYKE-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001040853108 935790560 /nfs/dbraw/zinc/79/05/60/935790560.db2.gz JEHUSMUFYPXBLU-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041405369 935798717 /nfs/dbraw/zinc/79/87/17/935798717.db2.gz BUIBCSHDUAABLL-WBVHZDCISA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041405369 935798719 /nfs/dbraw/zinc/79/87/19/935798719.db2.gz BUIBCSHDUAABLL-WBVHZDCISA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857282 935872206 /nfs/dbraw/zinc/87/22/06/935872206.db2.gz HOZDKOWWCCREJV-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059507 936106361 /nfs/dbraw/zinc/10/63/61/936106361.db2.gz RXLUTTDOLDIBJL-OAGGEKHMSA-N 1 3 291.439 1.295 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059507 936106363 /nfs/dbraw/zinc/10/63/63/936106363.db2.gz RXLUTTDOLDIBJL-OAGGEKHMSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC001122004972 937898491 /nfs/dbraw/zinc/89/84/91/937898491.db2.gz UDGINLZQJXGYFX-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001122153595 937909167 /nfs/dbraw/zinc/90/91/67/937909167.db2.gz GFHKEBLZFKCQIC-HUUCEWRRSA-N 1 3 295.427 1.040 20 30 CDEDHO N#Cc1ccc(Cl)nc1C(F)(F)N[C@H](N)CCC[NH3+] ZINC001159783086 938752566 /nfs/dbraw/zinc/75/25/66/938752566.db2.gz BDAUXYFQLKLYAU-VIFPVBQESA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883774 938837224 /nfs/dbraw/zinc/83/72/24/938837224.db2.gz UYIWHFDGLHFGEX-UONOGXRCSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160966837 938852232 /nfs/dbraw/zinc/85/22/32/938852232.db2.gz DGHIGIXMCLOYQK-RYUDHWBXSA-N 1 3 289.370 1.645 20 30 CDEDHO N[C@H](CCC[NH3+])C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161150070 938876849 /nfs/dbraw/zinc/87/68/49/938876849.db2.gz DFNCBRHYURCQFZ-QGZVFWFLSA-N 1 3 299.418 1.343 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161207878 938879296 /nfs/dbraw/zinc/87/92/96/938879296.db2.gz XLQQGLBSNHUDJQ-OAHLLOKOSA-N 1 3 289.423 1.242 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161207878 938879298 /nfs/dbraw/zinc/87/92/98/938879298.db2.gz XLQQGLBSNHUDJQ-OAHLLOKOSA-N 1 3 289.423 1.242 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485548 939567487 /nfs/dbraw/zinc/56/74/87/939567487.db2.gz YUFRBSNQXPTBKY-OAHLLOKOSA-N 1 3 293.455 1.779 20 30 CDEDHO N#Cc1cc(CN2CCC[C@@](O)(C[NH3+])CC2)ccc1F ZINC001205208209 939835792 /nfs/dbraw/zinc/83/57/92/939835792.db2.gz BYVZLEVQAFIQBT-HNNXBMFYSA-N 1 3 277.343 1.373 20 30 CDEDHO C[N+](C)(C)C[C@@H](CC#N)OCCN1CCCCC1 ZINC001206709067 940080890 /nfs/dbraw/zinc/08/08/90/940080890.db2.gz BIEQIEFFXOCAKA-CQSZACIVSA-N 1 3 254.398 1.477 20 30 CDEDHO CCOC(=O)C1(C#N)CCN(CC2CC[NH2+]CC2)CC1 ZINC001207441128 940196805 /nfs/dbraw/zinc/19/68/05/940196805.db2.gz SMVDZCZIZQQDPJ-UHFFFAOYSA-N 1 3 279.384 1.155 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414497 940330514 /nfs/dbraw/zinc/33/05/14/940330514.db2.gz RFBATQGOTQOROV-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530198 940338334 /nfs/dbraw/zinc/33/83/34/940338334.db2.gz JLWVELLXTCWATI-RBSFLKMASA-N 1 3 279.428 1.032 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530198 940338336 /nfs/dbraw/zinc/33/83/36/940338336.db2.gz JLWVELLXTCWATI-RBSFLKMASA-N 1 3 279.428 1.032 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837637 940645799 /nfs/dbraw/zinc/64/57/99/940645799.db2.gz QJBYBXFPZAWFAB-KBPBESRZSA-N 1 3 290.411 1.888 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844889 940968903 /nfs/dbraw/zinc/96/89/03/940968903.db2.gz NAGUKIJITTYIGG-OAGGEKHMSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN(CC)CC)CC1 ZINC001224911071 941805023 /nfs/dbraw/zinc/80/50/23/941805023.db2.gz IJIKEVUJHGBTNE-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877555 942240287 /nfs/dbraw/zinc/24/02/87/942240287.db2.gz TVYDUHYUSYOYSE-HNNXBMFYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877555 942240289 /nfs/dbraw/zinc/24/02/89/942240289.db2.gz TVYDUHYUSYOYSE-HNNXBMFYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC001263149307 943764343 /nfs/dbraw/zinc/76/43/43/943764343.db2.gz APVGITATJLRIPK-MELADBBJSA-N 1 3 267.417 1.646 20 30 CDEDHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]2CC1 ZINC001277943030 944147338 /nfs/dbraw/zinc/14/73/38/944147338.db2.gz KLRKVAQWPOWNIC-GASCZTMLSA-N 1 3 292.427 1.022 20 30 CDEDHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCCC#N)C[C@H]2CC1 ZINC001277943030 944147341 /nfs/dbraw/zinc/14/73/41/944147341.db2.gz KLRKVAQWPOWNIC-GASCZTMLSA-N 1 3 292.427 1.022 20 30 CDEDHO N#Cc1cc(-c2ncc3c(n2)CNCC3)cc(C2C[NH2+]C2)c1 ZINC001240337979 945795630 /nfs/dbraw/zinc/79/56/30/945795630.db2.gz YSSZOINRBQZACN-UHFFFAOYSA-N 1 3 291.358 1.348 20 30 CDEDHO N#Cc1cc(-c2ccnc(CN)c2)cc(C2C[NH2+]C2)c1 ZINC001240350735 945800980 /nfs/dbraw/zinc/80/09/80/945800980.db2.gz IUANQNMDKQPJJS-UHFFFAOYSA-N 1 3 264.332 1.766 20 30 CDEDHO C=C[C@H](O)CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253581049 951971513 /nfs/dbraw/zinc/97/15/13/951971513.db2.gz GDSVCHLEHDEPAQ-GJZGRUSLSA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253581049 951971520 /nfs/dbraw/zinc/97/15/20/951971520.db2.gz GDSVCHLEHDEPAQ-GJZGRUSLSA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253581049 951971525 /nfs/dbraw/zinc/97/15/25/951971525.db2.gz GDSVCHLEHDEPAQ-GJZGRUSLSA-N 1 3 252.402 1.874 20 30 CDEDHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569146968 1169691698 /nfs/dbraw/zinc/69/16/98/1169691698.db2.gz OGRJZNNWGSORQV-ZIAGYGMSSA-N 1 3 267.417 1.032 20 30 CDEDHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001569146968 1169691701 /nfs/dbraw/zinc/69/17/01/1169691701.db2.gz OGRJZNNWGSORQV-ZIAGYGMSSA-N 1 3 267.417 1.032 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC001340075633 962727414 /nfs/dbraw/zinc/72/74/14/962727414.db2.gz OLNRJPDHUYSIRU-ZDUSSCGKSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC001340075633 962727419 /nfs/dbraw/zinc/72/74/19/962727419.db2.gz OLNRJPDHUYSIRU-ZDUSSCGKSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340180757 962791027 /nfs/dbraw/zinc/79/10/27/962791027.db2.gz FRLBDPCSJKEYOU-RKDXNWHRSA-N 1 3 267.295 1.066 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001340180747 962796292 /nfs/dbraw/zinc/79/62/92/962796292.db2.gz FRLBDPCSJKEYOU-DTWKUNHWSA-N 1 3 267.295 1.066 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340180744 962796346 /nfs/dbraw/zinc/79/63/46/962796346.db2.gz FRLBDPCSJKEYOU-BDAKNGLRSA-N 1 3 267.295 1.066 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001341764846 963535707 /nfs/dbraw/zinc/53/57/07/963535707.db2.gz KSDXHIWVKLXGGV-LPWJVIDDSA-N 1 3 253.390 1.267 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001349474909 966359599 /nfs/dbraw/zinc/35/95/99/966359599.db2.gz ZIYWQBDMIPZHRK-OAHLLOKOSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001353726293 968188246 /nfs/dbraw/zinc/18/82/46/968188246.db2.gz AFNZBRGRRGBILE-HZSPNIEDSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001353726293 968188250 /nfs/dbraw/zinc/18/82/50/968188250.db2.gz AFNZBRGRRGBILE-HZSPNIEDSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100427712 968316376 /nfs/dbraw/zinc/31/63/76/968316376.db2.gz CWLQOARNPVOPLT-NRXISQOPSA-N 1 3 281.444 1.633 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC001521424229 970295463 /nfs/dbraw/zinc/29/54/63/970295463.db2.gz AYGXYGJIKOXDBU-KGLIPLIRSA-N 1 3 269.433 1.763 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001495943216 972713732 /nfs/dbraw/zinc/71/37/32/972713732.db2.gz DKHWYKCHEKVDTM-AWEZNQCLSA-N 1 3 279.428 1.369 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000593324050 342788370 /nfs/dbraw/zinc/78/83/70/342788370.db2.gz XNUDLOIYUBRHBO-QGZVFWFLSA-N 1 3 284.407 1.474 20 30 CDEDHO C#CCNC(N[C@H]1CCN(C2CCCC2)C1)=[NH+]CC ZINC000083513885 347122472 /nfs/dbraw/zinc/12/24/72/347122472.db2.gz AVQBNBZNWNZIJW-ZDUSSCGKSA-N 1 3 262.401 1.192 20 30 CDEDHO CN(C)CCOc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000264081622 362960437 /nfs/dbraw/zinc/96/04/37/362960437.db2.gz IPUVSRLOBKIRSL-UHFFFAOYSA-N 1 3 292.427 1.830 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1F ZINC000264112052 362970149 /nfs/dbraw/zinc/97/01/49/362970149.db2.gz PAKIIOMXEYRIKM-ZDUSSCGKSA-N 1 3 296.365 1.853 20 30 CDEDHO CC(C)CNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738315 357222801 /nfs/dbraw/zinc/22/28/01/357222801.db2.gz MCSWMNPSKYXYRI-UHFFFAOYSA-N 1 3 289.427 1.858 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)C(C)C ZINC000278336764 359579958 /nfs/dbraw/zinc/57/99/58/359579958.db2.gz XAUYXPVYNBAMRQ-GJZGRUSLSA-N 1 3 297.443 1.165 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1nccs1 ZINC000170909287 365159757 /nfs/dbraw/zinc/15/97/57/365159757.db2.gz YXAZJUNWBLAXRP-NSHDSACASA-N 1 3 281.429 1.074 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417527872 377840327 /nfs/dbraw/zinc/84/03/27/377840327.db2.gz OAFIPRXIMXURIN-ZFWWWQNUSA-N 1 3 294.443 1.406 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417521529 377818219 /nfs/dbraw/zinc/81/82/19/377818219.db2.gz FMEYGLCINLWATN-UKRRQHHQSA-N 1 3 294.443 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417518293 377791310 /nfs/dbraw/zinc/79/13/10/377791310.db2.gz BCLBPINBANOYHO-HIFRSBDPSA-N 1 3 294.443 1.467 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)nc1 ZINC000104160486 390486238 /nfs/dbraw/zinc/48/62/38/390486238.db2.gz XNLLYGZZMUZHLA-LBPRGKRZSA-N 1 3 295.818 1.624 20 30 CDEDHO C=CCNC(=[NH2+])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058184935 391916183 /nfs/dbraw/zinc/91/61/83/391916183.db2.gz NMODIIPCQRNMIB-MRXNPFEDSA-N 1 3 286.423 1.989 20 30 CDEDHO C=CCC[C@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659468 413344809 /nfs/dbraw/zinc/34/48/09/413344809.db2.gz PPHWVHLXGLEJHY-LSDHHAIUSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659468 413344820 /nfs/dbraw/zinc/34/48/20/413344820.db2.gz PPHWVHLXGLEJHY-LSDHHAIUSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2CC)CC1 ZINC000353441873 263056230 /nfs/dbraw/zinc/05/62/30/263056230.db2.gz FNJAXZIOOAHPFC-ZIAGYGMSSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN(CC)CC)CC1 ZINC000171714575 329078780 /nfs/dbraw/zinc/07/87/80/329078780.db2.gz QOUDXFHFKZDNCP-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1C ZINC000262195403 330001710 /nfs/dbraw/zinc/00/17/10/330001710.db2.gz RNIXKPJIVPIBJO-MGPQQGTHSA-N 1 3 266.433 1.811 20 30 CDEDHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424131736 330263928 /nfs/dbraw/zinc/26/39/28/330263928.db2.gz JQZRQDWXPGWEEC-CABCVRRESA-N 1 3 294.443 1.634 20 30 CDEDHO CC(C)[NH+](CCNC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424137241 330274633 /nfs/dbraw/zinc/27/46/33/330274633.db2.gz OQMUXGSCKAWFKH-ZDUSSCGKSA-N 1 3 268.405 1.243 20 30 CDEDHO C[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145724 330291474 /nfs/dbraw/zinc/29/14/74/330291474.db2.gz OILXAGLXCCSZIS-NEPJUHHUSA-N 1 3 268.405 1.100 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669465053 483173218 /nfs/dbraw/zinc/17/32/18/483173218.db2.gz QNQXPDMUPKEYCG-UHFFFAOYSA-N 1 3 280.416 1.078 20 30 CDEDHO C=CCN1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473233 613827088 /nfs/dbraw/zinc/82/70/88/613827088.db2.gz WMUAQQYHPMKBOC-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473233 613827090 /nfs/dbraw/zinc/82/70/90/613827090.db2.gz WMUAQQYHPMKBOC-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800761 613832377 /nfs/dbraw/zinc/83/23/77/613832377.db2.gz KDPZXDAZOXYDBP-OKILXGFUSA-N 1 3 288.395 1.309 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800761 613832379 /nfs/dbraw/zinc/83/23/79/613832379.db2.gz KDPZXDAZOXYDBP-OKILXGFUSA-N 1 3 288.395 1.309 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001753712610 1159892542 /nfs/dbraw/zinc/89/25/42/1159892542.db2.gz OCPREOXOHVQFJC-CQSZACIVSA-N 1 3 283.460 1.977 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132884627 1163500206 /nfs/dbraw/zinc/50/02/06/1163500206.db2.gz STYMRUKROWVZKU-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752807459 1184918860 /nfs/dbraw/zinc/91/88/60/1184918860.db2.gz HIEJFJJTHGNOGT-ZDUSSCGKSA-N 1 3 276.384 1.357 20 30 CDEDHO C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753816057 1185343218 /nfs/dbraw/zinc/34/32/18/1185343218.db2.gz QOGORKAJHVAMAV-ZIAGYGMSSA-N 1 3 290.411 1.745 20 30 CDEDHO CC#CC[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001755074944 1185808435 /nfs/dbraw/zinc/80/84/35/1185808435.db2.gz RKMBULFOEBJLFA-UHFFFAOYSA-N 1 3 293.455 1.711 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001755604505 1186010045 /nfs/dbraw/zinc/01/00/45/1186010045.db2.gz XCOKVQIUHBVTDY-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155289045 1167115230 /nfs/dbraw/zinc/11/52/30/1167115230.db2.gz HQQBKWPAPPQGQY-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155289045 1167115235 /nfs/dbraw/zinc/11/52/35/1167115235.db2.gz HQQBKWPAPPQGQY-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291625 895428737 /nfs/dbraw/zinc/42/87/37/895428737.db2.gz QNRXCPKRJOCCRJ-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106674075 914123362 /nfs/dbraw/zinc/12/33/62/914123362.db2.gz QIIQXWRSSNAXPO-MCIONIFRSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167628368 897098594 /nfs/dbraw/zinc/09/85/94/897098594.db2.gz ZZUCUQPLVMBVAJ-AWEZNQCLSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@H](C)F)CC1 ZINC001176926533 914358048 /nfs/dbraw/zinc/35/80/48/914358048.db2.gz OZHTZRPTGSWURG-AWEZNQCLSA-N 1 3 297.418 1.176 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571794 907990758 /nfs/dbraw/zinc/99/07/58/907990758.db2.gz NPHZSRZNZWLCLY-KBMXLJTQSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579627 908142248 /nfs/dbraw/zinc/14/22/48/908142248.db2.gz SVXNQPHDLCQCAC-FXUDXRNXSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579627 908142257 /nfs/dbraw/zinc/14/22/57/908142257.db2.gz SVXNQPHDLCQCAC-FXUDXRNXSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732166 915572848 /nfs/dbraw/zinc/57/28/48/915572848.db2.gz NUELWUOMNWCXKD-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732166 915572858 /nfs/dbraw/zinc/57/28/58/915572858.db2.gz NUELWUOMNWCXKD-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549538 915881431 /nfs/dbraw/zinc/88/14/31/915881431.db2.gz DEIOPZDBYBMSAL-GJZGRUSLSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179587304 915887847 /nfs/dbraw/zinc/88/78/47/915887847.db2.gz YDGDLQALNLYQCZ-HNNXBMFYSA-N 1 3 279.428 1.228 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779846 915958488 /nfs/dbraw/zinc/95/84/88/915958488.db2.gz ZCWWLUJXZFKZIQ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182589285 917979631 /nfs/dbraw/zinc/97/96/31/917979631.db2.gz BPRFSHXGPDZFTJ-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001182589285 917979642 /nfs/dbraw/zinc/97/96/42/917979642.db2.gz BPRFSHXGPDZFTJ-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190664838 922107923 /nfs/dbraw/zinc/10/79/23/922107923.db2.gz HCPJJGQBPDCDIM-HUUCEWRRSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190664838 922107934 /nfs/dbraw/zinc/10/79/34/922107934.db2.gz HCPJJGQBPDCDIM-HUUCEWRRSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033390307 922196682 /nfs/dbraw/zinc/19/66/82/922196682.db2.gz JIDUWOFGYHDGEP-OAHLLOKOSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342476 923015372 /nfs/dbraw/zinc/01/53/72/923015372.db2.gz FWTOFNHQCNCFCZ-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342476 923015392 /nfs/dbraw/zinc/01/53/92/923015392.db2.gz FWTOFNHQCNCFCZ-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN(CC)CC ZINC001168764342 924123541 /nfs/dbraw/zinc/12/35/41/924123541.db2.gz ZLDKVLPLZZREPF-UHFFFAOYSA-N 1 3 255.406 1.390 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001085196931 924384423 /nfs/dbraw/zinc/38/44/23/924384423.db2.gz VDQDEDPJQNTOOI-OAGGEKHMSA-N 1 3 291.439 1.509 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741807 924990674 /nfs/dbraw/zinc/99/06/74/924990674.db2.gz DFTYQSMASKKTJK-OUCADQQQSA-N 1 3 299.846 1.517 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741807 924990676 /nfs/dbraw/zinc/99/06/76/924990676.db2.gz DFTYQSMASKKTJK-OUCADQQQSA-N 1 3 299.846 1.517 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443267 936972040 /nfs/dbraw/zinc/97/20/40/936972040.db2.gz BVCTXMOMJNUGRW-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443267 936972042 /nfs/dbraw/zinc/97/20/42/936972042.db2.gz BVCTXMOMJNUGRW-WBVHZDCISA-N 1 3 293.455 1.685 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207782 925676575 /nfs/dbraw/zinc/67/65/75/925676575.db2.gz FUNXAVWOBUSKDQ-UHFFFAOYSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629600 926230420 /nfs/dbraw/zinc/23/04/20/926230420.db2.gz YBSHYPLWUNJAPI-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085629600 926230427 /nfs/dbraw/zinc/23/04/27/926230427.db2.gz YBSHYPLWUNJAPI-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583803 929797868 /nfs/dbraw/zinc/79/78/68/929797868.db2.gz ORTFRNKVSVKWFJ-KBPBESRZSA-N 1 3 281.444 1.920 20 30 CDEDHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152439250 937361799 /nfs/dbraw/zinc/36/17/99/937361799.db2.gz GXAUXDSLFOHGNJ-UHFFFAOYSA-N 1 3 288.395 1.104 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCCC1 ZINC001115582172 937396890 /nfs/dbraw/zinc/39/68/90/937396890.db2.gz NTBIKRLCCMKPGZ-HNNXBMFYSA-N 1 3 293.455 1.615 20 30 CDEDHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2CCCC#N ZINC001274039745 931139558 /nfs/dbraw/zinc/13/95/58/931139558.db2.gz LYGGYQNLHHFQHU-MRXNPFEDSA-N 1 3 292.427 1.309 20 30 CDEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001171225000 932029934 /nfs/dbraw/zinc/02/99/34/932029934.db2.gz WNYKQXOTVRANGU-XYPHTWIQSA-N 1 3 269.392 1.983 20 30 CDEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001171225000 932029942 /nfs/dbraw/zinc/02/99/42/932029942.db2.gz WNYKQXOTVRANGU-XYPHTWIQSA-N 1 3 269.392 1.983 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171234995 932082003 /nfs/dbraw/zinc/08/20/03/932082003.db2.gz BDRHFVMMEVFSMP-OAHLLOKOSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]CC=C)C2)CC1 ZINC001091377291 932117607 /nfs/dbraw/zinc/11/76/07/932117607.db2.gz FOHFXGYZPBPPRF-UHFFFAOYSA-N 1 3 289.423 1.002 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]C(C)C)CC1 ZINC001146610917 932271399 /nfs/dbraw/zinc/27/13/99/932271399.db2.gz KUENXHUNSQLSQS-GJZGRUSLSA-N 1 3 293.455 1.613 20 30 CDEDHO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155263317 937655165 /nfs/dbraw/zinc/65/51/65/937655165.db2.gz QHNZLZNCEUBQMP-CQSZACIVSA-N 1 3 281.444 1.424 20 30 CDEDHO C#CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155263317 937655166 /nfs/dbraw/zinc/65/51/66/937655166.db2.gz QHNZLZNCEUBQMP-CQSZACIVSA-N 1 3 281.444 1.424 20 30 CDEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121799032 937883131 /nfs/dbraw/zinc/88/31/31/937883131.db2.gz YLBUCDNTQGGEFE-LETWWHAPSA-N 1 3 293.455 1.920 20 30 CDEDHO CN1CCC(CNc2ccnc(CC#N)c2)([NH+](C)C)CC1 ZINC001164216913 939432111 /nfs/dbraw/zinc/43/21/11/939432111.db2.gz MIMCXDOXQUUAQR-UHFFFAOYSA-N 1 3 287.411 1.007 20 30 CDEDHO C=CC(NCC1CN(Cc2ccccc2)C1)=[NH+]COC ZINC001165427668 939563140 /nfs/dbraw/zinc/56/31/40/939563140.db2.gz UYPDXOPGZAPZBI-UHFFFAOYSA-N 1 3 273.380 1.896 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677844 939625919 /nfs/dbraw/zinc/62/59/19/939625919.db2.gz OGGOYERNJGLMMD-CQSZACIVSA-N 1 3 267.417 1.390 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953535 940117484 /nfs/dbraw/zinc/11/74/84/940117484.db2.gz QBKCAHYZXPBRDA-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341360 940322072 /nfs/dbraw/zinc/32/20/72/940322072.db2.gz ZRUWNBGANWFPRR-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001220868337 941478774 /nfs/dbraw/zinc/47/87/74/941478774.db2.gz GOEFHLYUSMPPRO-MELADBBJSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001220868841 941479910 /nfs/dbraw/zinc/47/99/10/941479910.db2.gz WQDXONSXTMZFRG-KGLIPLIRSA-N 1 3 297.443 1.286 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227817124 942232095 /nfs/dbraw/zinc/23/20/95/942232095.db2.gz JSNIPABUESPVIO-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO N#Cc1ccc(CCC[N@H+]2CC[C@H]3C[C@@]3(N)C2)cc1 ZINC001235166016 944076088 /nfs/dbraw/zinc/07/60/88/944076088.db2.gz NPALKPXOIIRPMA-JKSUJKDBSA-N 1 3 255.365 1.914 20 30 CDEDHO N#Cc1ccc(CCC[N@@H+]2CC[C@H]3C[C@@]3(N)C2)cc1 ZINC001235166016 944076092 /nfs/dbraw/zinc/07/60/92/944076092.db2.gz NPALKPXOIIRPMA-JKSUJKDBSA-N 1 3 255.365 1.914 20 30 CDEDHO CC#CC[N@H+](CC)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001266102524 944683761 /nfs/dbraw/zinc/68/37/61/944683761.db2.gz BEVBAJVLAVPXBO-HNNXBMFYSA-N 1 3 281.444 1.424 20 30 CDEDHO CC#CC[N@@H+](CC)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001266102524 944683765 /nfs/dbraw/zinc/68/37/65/944683765.db2.gz BEVBAJVLAVPXBO-HNNXBMFYSA-N 1 3 281.444 1.424 20 30 CDEDHO C=CCC[C@@H](C)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258732743 945397647 /nfs/dbraw/zinc/39/76/47/945397647.db2.gz POMPSSXDEKHPOJ-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCC[C@@H](C)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258732743 945397653 /nfs/dbraw/zinc/39/76/53/945397653.db2.gz POMPSSXDEKHPOJ-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCOC[C@H](O)CN(CCC)CCC[NH+](C)C ZINC001252473183 951325340 /nfs/dbraw/zinc/32/53/40/951325340.db2.gz IEKUHWWWTDTTMP-CQSZACIVSA-N 1 3 258.406 1.214 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001341746712 963526907 /nfs/dbraw/zinc/52/69/07/963526907.db2.gz BAODSESFSIPMDY-AWEZNQCLSA-N 1 3 291.399 1.430 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001403232091 976830401 /nfs/dbraw/zinc/83/04/01/976830401.db2.gz PDSLTIYBIWZCIT-CYBMUJFWSA-N 1 3 299.846 1.661 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC3(CCC[C@@H]3C[NH3+])CC2)C1=O ZINC001574936960 1171055583 /nfs/dbraw/zinc/05/55/83/1171055583.db2.gz QGEHFJYVXGJUSH-HUUCEWRRSA-N 1 3 291.439 1.614 20 30 CDEDHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1C#N ZINC000591281888 342624346 /nfs/dbraw/zinc/62/43/46/342624346.db2.gz RRIUAOWNNVAINB-OAHLLOKOSA-N 1 3 271.364 1.799 20 30 CDEDHO CC[NH+]1CCC(N2CCCN(CCCC#N)CC2)CC1 ZINC000595547460 343084142 /nfs/dbraw/zinc/08/41/42/343084142.db2.gz UDMHWYBBQIIZER-UHFFFAOYSA-N 1 3 278.444 1.782 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000595960001 343196406 /nfs/dbraw/zinc/19/64/06/343196406.db2.gz RMWXKYQXOPVZKK-MELADBBJSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000595960001 343196407 /nfs/dbraw/zinc/19/64/07/343196407.db2.gz RMWXKYQXOPVZKK-MELADBBJSA-N 1 3 278.400 1.141 20 30 CDEDHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCCC#N ZINC000595944673 343205345 /nfs/dbraw/zinc/20/53/45/343205345.db2.gz UVHBQCLTYODAGV-KGLIPLIRSA-N 1 3 280.416 1.244 20 30 CDEDHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612049 343842098 /nfs/dbraw/zinc/84/20/98/343842098.db2.gz YJWUWMYNGDXLPV-KBPBESRZSA-N 1 3 267.417 1.703 20 30 CDEDHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612049 343842099 /nfs/dbraw/zinc/84/20/99/343842099.db2.gz YJWUWMYNGDXLPV-KBPBESRZSA-N 1 3 267.417 1.703 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449548014 362756684 /nfs/dbraw/zinc/75/66/84/362756684.db2.gz KQUKFPLMCZDAEK-XQLPTFJDSA-N 1 3 250.386 1.936 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449548014 362756686 /nfs/dbraw/zinc/75/66/86/362756686.db2.gz KQUKFPLMCZDAEK-XQLPTFJDSA-N 1 3 250.386 1.936 20 30 CDEDHO CC#CC[C@@H](CO)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000641769000 365835835 /nfs/dbraw/zinc/83/58/35/365835835.db2.gz NQYLSXZTTGULCW-INIZCTEOSA-N 1 3 290.407 1.491 20 30 CDEDHO CC[C@@H](C)NC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264100163 362966693 /nfs/dbraw/zinc/96/66/93/362966693.db2.gz MNWPCQCSNXGDDW-CYBMUJFWSA-N 1 3 292.427 1.830 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000449324618 358349283 /nfs/dbraw/zinc/34/92/83/358349283.db2.gz GJQJCOCEOJEOID-BZUAXINKSA-N 1 3 293.455 1.657 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC000178114830 372162001 /nfs/dbraw/zinc/16/20/01/372162001.db2.gz PGHYRAXXOYESDY-ZDUSSCGKSA-N 1 3 253.390 1.093 20 30 CDEDHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442771443 378522893 /nfs/dbraw/zinc/52/28/93/378522893.db2.gz TVKHRCNFRBCTTL-RBSFLKMASA-N 1 3 265.401 1.361 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062190 391248491 /nfs/dbraw/zinc/24/84/91/391248491.db2.gz ZJHQDEGYGNTEJI-HLLBOEOZSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1C1CCN(C)CC1 ZINC000339062190 391248495 /nfs/dbraw/zinc/24/84/95/391248495.db2.gz ZJHQDEGYGNTEJI-HLLBOEOZSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C1CCN(C)CC1 ZINC000339062190 391248498 /nfs/dbraw/zinc/24/84/98/391248498.db2.gz ZJHQDEGYGNTEJI-HLLBOEOZSA-N 1 3 290.455 1.779 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976129 391372892 /nfs/dbraw/zinc/37/28/92/391372892.db2.gz KKHOCVCZNHQUJP-ZNMIVQPWSA-N 1 3 279.428 1.389 20 30 CDEDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C#N)cc1 ZINC000271851320 392637301 /nfs/dbraw/zinc/63/73/01/392637301.db2.gz IPWAJQPBVRSSPC-ZDUSSCGKSA-N 1 3 273.380 1.666 20 30 CDEDHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423199549 397602408 /nfs/dbraw/zinc/60/24/08/397602408.db2.gz BYNFMCNJDGHMSQ-LBPRGKRZSA-N 1 3 276.359 1.253 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(F)c1 ZINC000264107439 262872606 /nfs/dbraw/zinc/87/26/06/262872606.db2.gz OCSIPXYQAZIQPD-CQSZACIVSA-N 1 3 278.375 1.714 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1nccs1 ZINC000290427609 263116611 /nfs/dbraw/zinc/11/66/11/263116611.db2.gz ARGFSWLOOVYACD-LBPRGKRZSA-N 1 3 295.456 1.464 20 30 CDEDHO C=C(CC)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341141305 263324334 /nfs/dbraw/zinc/32/43/34/263324334.db2.gz WDJSIXJYVBAEDS-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=C(CC)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341141305 263324337 /nfs/dbraw/zinc/32/43/37/263324337.db2.gz WDJSIXJYVBAEDS-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000417067387 263779820 /nfs/dbraw/zinc/77/98/20/263779820.db2.gz RDTCSQFFIWROMM-LSDHHAIUSA-N 1 3 296.459 1.674 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754326022 1159130036 /nfs/dbraw/zinc/13/00/36/1159130036.db2.gz BFQPPEUSCHEDBV-HOTGVXAUSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754326022 1159130038 /nfs/dbraw/zinc/13/00/38/1159130038.db2.gz BFQPPEUSCHEDBV-HOTGVXAUSA-N 1 3 293.455 1.709 20 30 CDEDHO CN(C)CC1(C[NH+]=C(N(C)C)N(C)C)CCCC1 ZINC000262399699 330008023 /nfs/dbraw/zinc/00/80/23/330008023.db2.gz UQJMPOCFSHFMFI-UHFFFAOYSA-N 1 3 254.422 1.588 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C(C)C ZINC000263101279 330043781 /nfs/dbraw/zinc/04/37/81/330043781.db2.gz KACGMDWXDMYDAO-FRRDWIJNSA-N 1 3 252.406 1.420 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CCC1 ZINC000263175004 330047406 /nfs/dbraw/zinc/04/74/06/330047406.db2.gz SPHJFPFBPYBCTI-GFCCVEGCSA-N 1 3 263.389 1.069 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000424071380 330220090 /nfs/dbraw/zinc/22/00/90/330220090.db2.gz BHBCOJHCSUFIHA-CQSZACIVSA-N 1 3 272.352 1.292 20 30 CDEDHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424141263 330282482 /nfs/dbraw/zinc/28/24/82/330282482.db2.gz XAGTWVIMMLISIK-AWEZNQCLSA-N 1 3 280.416 1.339 20 30 CDEDHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424143371 330287083 /nfs/dbraw/zinc/28/70/83/330287083.db2.gz GCFKBHOYJPKJIW-MGPQQGTHSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424143371 330287084 /nfs/dbraw/zinc/28/70/84/330287084.db2.gz GCFKBHOYJPKJIW-MGPQQGTHSA-N 1 3 280.416 1.244 20 30 CDEDHO C[NH+](C)CCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424153218 330299880 /nfs/dbraw/zinc/29/98/80/330299880.db2.gz JTUHSJKLQYGYTI-OAHLLOKOSA-N 1 3 288.395 1.750 20 30 CDEDHO C=C(C)CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000681405930 482842128 /nfs/dbraw/zinc/84/21/28/482842128.db2.gz LWJZFYDEOCJINK-OAHLLOKOSA-N 1 3 251.418 1.664 20 30 CDEDHO C=C(C)CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000681405930 482842133 /nfs/dbraw/zinc/84/21/33/482842133.db2.gz LWJZFYDEOCJINK-OAHLLOKOSA-N 1 3 251.418 1.664 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001752832918 1160612611 /nfs/dbraw/zinc/61/26/11/1160612611.db2.gz RYUOQQIIXHSFNM-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001717458881 1180680628 /nfs/dbraw/zinc/68/06/28/1180680628.db2.gz INJKBXDCWGQUNP-AWEZNQCLSA-N 1 3 283.460 1.977 20 30 CDEDHO CC(C)(C)[NH2+]CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000352578718 526331103 /nfs/dbraw/zinc/33/11/03/526331103.db2.gz ZLBWSSDXORAIBL-HNNXBMFYSA-N 1 3 298.390 1.745 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000334910985 526587915 /nfs/dbraw/zinc/58/79/15/526587915.db2.gz QHNNLGDEZSFZRT-KBPBESRZSA-N 1 3 294.443 1.419 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000764608766 575925442 /nfs/dbraw/zinc/92/54/42/575925442.db2.gz CJFSAQFADJTZTF-GASCZTMLSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CCCN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000743491498 576642792 /nfs/dbraw/zinc/64/27/92/576642792.db2.gz IOIKGYWTATWEPV-UHFFFAOYSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000970803047 612961983 /nfs/dbraw/zinc/96/19/83/612961983.db2.gz GABONNOAFUJSNQ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192793 613015409 /nfs/dbraw/zinc/01/54/09/613015409.db2.gz SOKHUOPIQHIFDV-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]C(C)C)C2)CC1 ZINC000962807443 613129969 /nfs/dbraw/zinc/12/99/69/613129969.db2.gz FZAMINQUFBZPKV-UHFFFAOYSA-N 1 3 291.439 1.224 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779637 613700808 /nfs/dbraw/zinc/70/08/08/613700808.db2.gz QPNRUBPLMPPCFD-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779637 613700809 /nfs/dbraw/zinc/70/08/09/613700809.db2.gz QPNRUBPLMPPCFD-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739070 629459445 /nfs/dbraw/zinc/45/94/45/629459445.db2.gz PJERVSYRNGMWNH-KBPBESRZSA-N 1 3 269.433 1.872 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911846660 629585970 /nfs/dbraw/zinc/58/59/70/629585970.db2.gz QAQPKJKZIJPCRF-LBPRGKRZSA-N 1 3 257.422 1.918 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911883803 629611491 /nfs/dbraw/zinc/61/14/91/629611491.db2.gz ZYYPPLCXDXCODK-QLFBSQMISA-N 1 3 299.459 1.639 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000852357625 678016485 /nfs/dbraw/zinc/01/64/85/678016485.db2.gz FHJGUSGXCKXLSO-AWEZNQCLSA-N 1 3 294.443 1.114 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000852357625 678016489 /nfs/dbraw/zinc/01/64/89/678016489.db2.gz FHJGUSGXCKXLSO-AWEZNQCLSA-N 1 3 294.443 1.114 20 30 CDEDHO N#Cc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261802906 678024546 /nfs/dbraw/zinc/02/45/46/678024546.db2.gz ROOROAKHDBYONG-INIZCTEOSA-N 1 3 270.380 1.038 20 30 CDEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305841684 678164804 /nfs/dbraw/zinc/16/48/04/678164804.db2.gz ZORYDQKBZNOJAZ-GFCCVEGCSA-N 1 3 266.433 1.906 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314645 678189773 /nfs/dbraw/zinc/18/97/73/678189773.db2.gz UKHFPLZHGLIKDT-CABCVRRESA-N 1 3 289.423 1.191 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CCCC[C@@H]1C ZINC000262018648 678635789 /nfs/dbraw/zinc/63/57/89/678635789.db2.gz XATLOTFZANIRDO-NWDGAFQWSA-N 1 3 254.422 1.952 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314647 678655224 /nfs/dbraw/zinc/65/52/24/678655224.db2.gz UKHFPLZHGLIKDT-HUUCEWRRSA-N 1 3 289.423 1.191 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)CC[C@@H]21 ZINC000886043602 678730976 /nfs/dbraw/zinc/73/09/76/678730976.db2.gz GCPZGKMIULJSNT-PMPSAXMXSA-N 1 3 291.439 1.847 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CC3(C#N)CCC3)CC[C@@H]21 ZINC000886043602 678730981 /nfs/dbraw/zinc/73/09/81/678730981.db2.gz GCPZGKMIULJSNT-PMPSAXMXSA-N 1 3 291.439 1.847 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)N1CCCC1 ZINC000303887012 679038902 /nfs/dbraw/zinc/03/89/02/679038902.db2.gz KQJVUAZCMFIBFO-KBPBESRZSA-N 1 3 266.433 1.907 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884654 679082973 /nfs/dbraw/zinc/08/29/73/679082973.db2.gz NWZRGYRAVUNVSM-CABCVRRESA-N 1 3 277.412 1.095 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028538033 679425411 /nfs/dbraw/zinc/42/54/11/679425411.db2.gz XZXJMNFVBGRVDQ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028538033 679425418 /nfs/dbraw/zinc/42/54/18/679425418.db2.gz XZXJMNFVBGRVDQ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014404461 679575418 /nfs/dbraw/zinc/57/54/18/679575418.db2.gz CVAXDWHSGQZVHX-GJZGRUSLSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014404461 679575424 /nfs/dbraw/zinc/57/54/24/679575424.db2.gz CVAXDWHSGQZVHX-GJZGRUSLSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307042 679646916 /nfs/dbraw/zinc/64/69/16/679646916.db2.gz MHBQZYNMNYQBCJ-UHFFFAOYSA-N 1 3 265.401 1.239 20 30 CDEDHO C#CCCN1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992996 679656506 /nfs/dbraw/zinc/65/65/06/679656506.db2.gz JFHUMAVXCVKKTB-HNNXBMFYSA-N 1 3 289.423 1.219 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435954 1162475012 /nfs/dbraw/zinc/47/50/12/1162475012.db2.gz KPKFQJXCTJSEME-OCCSQVGLSA-N 1 3 267.417 1.387 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001574604341 1170996398 /nfs/dbraw/zinc/99/63/98/1170996398.db2.gz MRGWJEKOLONYOJ-SAABIXHNSA-N 1 3 299.418 1.117 20 30 CDEDHO C=CCO[C@H]1CCN(CCC2([NH3+])CCOCC2)C1 ZINC001574942591 1171052974 /nfs/dbraw/zinc/05/29/74/1171052974.db2.gz CCIFBNMQHFFCBY-ZDUSSCGKSA-N 1 3 254.374 1.161 20 30 CDEDHO CC#CC[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC001574963886 1171064822 /nfs/dbraw/zinc/06/48/22/1171064822.db2.gz ZICGXUGKAJDYNW-AWEZNQCLSA-N 1 3 293.436 1.379 20 30 CDEDHO C[C@H]1CC2(CN1Cc1cc(C#N)ccn1)CC[NH2+]CC2 ZINC001576637902 1171474667 /nfs/dbraw/zinc/47/46/67/1171474667.db2.gz KWCUWPUSKJTMKB-ZDUSSCGKSA-N 1 3 270.380 1.917 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001722904285 1181490368 /nfs/dbraw/zinc/49/03/68/1181490368.db2.gz CAJPQIQAIHMHJR-KBPBESRZSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001722904285 1181490375 /nfs/dbraw/zinc/49/03/75/1181490375.db2.gz CAJPQIQAIHMHJR-KBPBESRZSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753084732 1185048180 /nfs/dbraw/zinc/04/81/80/1185048180.db2.gz BEKCGPNGZMSBTF-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753084732 1185048190 /nfs/dbraw/zinc/04/81/90/1185048190.db2.gz BEKCGPNGZMSBTF-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001754025220 1185430176 /nfs/dbraw/zinc/43/01/76/1185430176.db2.gz HDVPVMVAIOOPAI-CQSZACIVSA-N 1 3 287.407 1.479 20 30 CDEDHO CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754808080 1185735812 /nfs/dbraw/zinc/73/58/12/1185735812.db2.gz XKMCPWMEPVEREC-HUUCEWRRSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001755351658 1185925344 /nfs/dbraw/zinc/92/53/44/1185925344.db2.gz XXRFPTQBCABJOL-HNNXBMFYSA-N 1 3 292.427 1.991 20 30 CDEDHO C=CCCC[N@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001273487926 1164359690 /nfs/dbraw/zinc/35/96/90/1164359690.db2.gz VUVFPRWUSJAZOZ-MRXNPFEDSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCCC[N@@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001273487926 1164359698 /nfs/dbraw/zinc/35/96/98/1164359698.db2.gz VUVFPRWUSJAZOZ-MRXNPFEDSA-N 1 3 279.428 1.581 20 30 CDEDHO N#Cc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261802909 913239011 /nfs/dbraw/zinc/23/90/11/913239011.db2.gz ROOROAKHDBYONG-MRXNPFEDSA-N 1 3 270.380 1.038 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001208260909 894158702 /nfs/dbraw/zinc/15/87/02/894158702.db2.gz HLZPZTUBAJKSTG-GJZGRUSLSA-N 1 3 297.418 1.270 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C/C=C/Cl)CC1 ZINC001176926638 914360339 /nfs/dbraw/zinc/36/03/39/914360339.db2.gz QYQWVLJKEMMVIQ-XVNBXDOJSA-N 1 3 297.830 1.180 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088327644 906907288 /nfs/dbraw/zinc/90/72/88/906907288.db2.gz SODKEQIIGYXNNH-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO CC(C)N1CCN(CC[NH2+][C@H](C)CCCC#N)CC1 ZINC001172483523 911687918 /nfs/dbraw/zinc/68/79/18/911687918.db2.gz RTJPFFYQYWCBOG-OAHLLOKOSA-N 1 3 266.433 1.684 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180369367 916316986 /nfs/dbraw/zinc/31/69/86/916316986.db2.gz AXZVZHMZNWAOPA-INIZCTEOSA-N 1 3 293.455 1.760 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001183760374 918659478 /nfs/dbraw/zinc/65/94/78/918659478.db2.gz WQYNUANUQPTXIS-CQSZACIVSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071192 937040584 /nfs/dbraw/zinc/04/05/84/937040584.db2.gz HBGZYHVJEMJSEQ-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071192 937040586 /nfs/dbraw/zinc/04/05/86/937040586.db2.gz HBGZYHVJEMJSEQ-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201320851 926264015 /nfs/dbraw/zinc/26/40/15/926264015.db2.gz ACCVUGDNQVSZAZ-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755863 937153869 /nfs/dbraw/zinc/15/38/69/937153869.db2.gz QXDNCLAWQXPFDY-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755863 937153872 /nfs/dbraw/zinc/15/38/72/937153872.db2.gz QXDNCLAWQXPFDY-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN1CCC(C)CC1 ZINC001169127630 927739753 /nfs/dbraw/zinc/73/97/53/927739753.db2.gz SFLLTBADHZGZKL-UHFFFAOYSA-N 1 3 287.835 1.567 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123255 937506169 /nfs/dbraw/zinc/50/61/69/937506169.db2.gz RAQJHZQUGKODQD-HZPDHXFCSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123255 937506171 /nfs/dbraw/zinc/50/61/71/937506171.db2.gz RAQJHZQUGKODQD-HZPDHXFCSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCN1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148292910 932693149 /nfs/dbraw/zinc/69/31/49/932693149.db2.gz ZTJMIQCHJSHDGG-UHFFFAOYSA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCN1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148292910 932693154 /nfs/dbraw/zinc/69/31/54/932693154.db2.gz ZTJMIQCHJSHDGG-UHFFFAOYSA-N 1 3 291.439 1.132 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155283726 937656557 /nfs/dbraw/zinc/65/65/57/937656557.db2.gz XRMGBRVWGKDHGR-OLZOCXBDSA-N 1 3 255.406 1.339 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155283726 937656558 /nfs/dbraw/zinc/65/65/58/937656558.db2.gz XRMGBRVWGKDHGR-OLZOCXBDSA-N 1 3 255.406 1.339 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794561 934970009 /nfs/dbraw/zinc/97/00/09/934970009.db2.gz LCIWYBGWKLKHSZ-FXUDXRNXSA-N 1 3 293.455 1.585 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794561 934970012 /nfs/dbraw/zinc/97/00/12/934970012.db2.gz LCIWYBGWKLKHSZ-FXUDXRNXSA-N 1 3 293.455 1.585 20 30 CDEDHO [NH3+]C1CCN(c2cccc(NCCCS)n2)CC1 ZINC001159869670 938758006 /nfs/dbraw/zinc/75/80/06/938758006.db2.gz OZRVUVHCTYXUQB-UHFFFAOYSA-N 1 3 266.414 1.741 20 30 CDEDHO CN1CCC[C@](C)(Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001162330169 939025943 /nfs/dbraw/zinc/02/59/43/939025943.db2.gz ASMMMXHTHAYJAY-KRWDZBQOSA-N 1 3 299.422 1.885 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793336 939704461 /nfs/dbraw/zinc/70/44/61/939704461.db2.gz SBBJWYKXICIOQQ-HUUCEWRRSA-N 1 3 293.455 1.920 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793746 939704809 /nfs/dbraw/zinc/70/48/09/939704809.db2.gz TVQLFMNWGRYJTJ-HUUCEWRRSA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642475 940622298 /nfs/dbraw/zinc/62/22/98/940622298.db2.gz NPVLJDPIRYEMDI-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257004 940742550 /nfs/dbraw/zinc/74/25/50/940742550.db2.gz OAFMBFCYGQLYIG-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO N#Cc1c[nH]c2cc(NC(=O)[C@@H](N)CCCC[NH3+])ccc12 ZINC001219044914 941303054 /nfs/dbraw/zinc/30/30/54/941303054.db2.gz QMHSKUJGAYNCPE-ZDUSSCGKSA-N 1 3 285.351 1.434 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402448 941749204 /nfs/dbraw/zinc/74/92/04/941749204.db2.gz HTABZYREWNVFMU-MRXNPFEDSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226783111 942069425 /nfs/dbraw/zinc/06/94/25/942069425.db2.gz UDEWHHANVFUJKP-ZIAGYGMSSA-N 1 3 277.412 1.121 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230101729 942583915 /nfs/dbraw/zinc/58/39/15/942583915.db2.gz ZVPWZHRAMHCTEV-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001230101729 942583919 /nfs/dbraw/zinc/58/39/19/942583919.db2.gz ZVPWZHRAMHCTEV-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C[NH+]1CCC2(CCN(Cc3cc(C#N)ccn3)C2)CC1 ZINC001232479630 943292541 /nfs/dbraw/zinc/29/25/41/943292541.db2.gz UQANXYLSSVIHIH-UHFFFAOYSA-N 1 3 270.380 1.871 20 30 CDEDHO CC[C@@H](CC#N)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686968 948396588 /nfs/dbraw/zinc/39/65/88/948396588.db2.gz YADMDMRAFFSAII-NFOMZHRRSA-N 1 3 265.401 1.912 20 30 CDEDHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001253405136 951887390 /nfs/dbraw/zinc/88/73/90/951887390.db2.gz PZBRVUVFRUKUEQ-AVGNSLFASA-N 1 3 253.390 1.407 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC001336771615 960568180 /nfs/dbraw/zinc/56/81/80/960568180.db2.gz TVECKCFWQDOAAG-UHFFFAOYSA-N 1 3 273.380 1.194 20 30 CDEDHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001336810912 960615631 /nfs/dbraw/zinc/61/56/31/960615631.db2.gz KZGAGCGGSUFEEW-KGLIPLIRSA-N 1 3 267.417 1.609 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001343489912 964006822 /nfs/dbraw/zinc/00/68/22/964006822.db2.gz ZNOZOYFLJIFLJD-FVCCEPFGSA-N 1 3 253.390 1.173 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CCC)CC1 ZINC001353446961 967985341 /nfs/dbraw/zinc/98/53/41/967985341.db2.gz AVRYTBUYXLDTDD-CQSZACIVSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001353646484 968123877 /nfs/dbraw/zinc/12/38/77/968123877.db2.gz RZKBUMSXJJJVOF-UWVGGRQHSA-N 1 3 294.424 1.581 20 30 CDEDHO C#CCNCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790723 1163479656 /nfs/dbraw/zinc/47/96/56/1163479656.db2.gz JWMNGWHLZYXFMX-HNNXBMFYSA-N 1 3 277.412 1.123 20 30 CDEDHO C#CCNCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790723 1163479657 /nfs/dbraw/zinc/47/96/57/1163479657.db2.gz JWMNGWHLZYXFMX-HNNXBMFYSA-N 1 3 277.412 1.123 20 30 CDEDHO C[NH+](C)CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594437095 342898166 /nfs/dbraw/zinc/89/81/66/342898166.db2.gz HWVIKNSRUIFAFH-ZIAGYGMSSA-N 1 3 296.459 1.880 20 30 CDEDHO C[C@H]1CCC[N@H+](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440247 342907143 /nfs/dbraw/zinc/90/71/43/342907143.db2.gz AXEQVHNMGZJZNA-UONOGXRCSA-N 1 3 280.416 1.246 20 30 CDEDHO C[C@H]1CCC[N@@H+](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440247 342907144 /nfs/dbraw/zinc/90/71/44/342907144.db2.gz AXEQVHNMGZJZNA-UONOGXRCSA-N 1 3 280.416 1.246 20 30 CDEDHO CC(C)C[NH+]1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598721323 343883694 /nfs/dbraw/zinc/88/36/94/343883694.db2.gz VDTNQSIOHOSSGO-HNNXBMFYSA-N 1 3 281.444 1.997 20 30 CDEDHO C[C@H](CCC#N)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602548989 344463745 /nfs/dbraw/zinc/46/37/45/344463745.db2.gz QAUFVBNAZNDORN-HUUCEWRRSA-N 1 3 278.444 1.684 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccn1 ZINC000264123922 362973241 /nfs/dbraw/zinc/97/32/41/362973241.db2.gz RQNMOIWFMYYBFD-CQSZACIVSA-N 1 3 275.400 1.013 20 30 CDEDHO C[NH+](C)C[C@H]1CCN(CCCC2(C#N)CCOCC2)C1 ZINC000337191342 360017656 /nfs/dbraw/zinc/01/76/56/360017656.db2.gz SKAUHRGYFQTBEM-OAHLLOKOSA-N 1 3 279.428 1.970 20 30 CDEDHO CCN1CCN(CCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947231 189016328 /nfs/dbraw/zinc/01/63/28/189016328.db2.gz UETOAZWLVADUNX-UHFFFAOYSA-N 1 3 292.452 1.737 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000572162936 377745512 /nfs/dbraw/zinc/74/55/12/377745512.db2.gz NTSDHKWFLUNXPD-ZNMIVQPWSA-N 1 3 279.428 1.539 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000345855256 391320418 /nfs/dbraw/zinc/32/04/18/391320418.db2.gz WTKJYPYJBBGRSQ-STQMWFEESA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000345855256 391320422 /nfs/dbraw/zinc/32/04/22/391320422.db2.gz WTKJYPYJBBGRSQ-STQMWFEESA-N 1 3 251.374 1.917 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058384 391341164 /nfs/dbraw/zinc/34/11/64/391341164.db2.gz FOILLPQGPIWOAI-HUUCEWRRSA-N 1 3 294.443 1.346 20 30 CDEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC#N ZINC000360154170 391643620 /nfs/dbraw/zinc/64/36/20/391643620.db2.gz GRWUXGVKXRHZBG-HNNXBMFYSA-N 1 3 294.443 1.555 20 30 CDEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC#N ZINC000360154170 391643624 /nfs/dbraw/zinc/64/36/24/391643624.db2.gz GRWUXGVKXRHZBG-HNNXBMFYSA-N 1 3 294.443 1.555 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442710319 391728179 /nfs/dbraw/zinc/72/81/79/391728179.db2.gz CGXMPEOKZIRFLP-DZGCQCFKSA-N 1 3 264.417 1.294 20 30 CDEDHO C[NH+]=C(NCc1cccn1C)NC1CCN(C2CC2)CC1 ZINC000262803728 391826002 /nfs/dbraw/zinc/82/60/02/391826002.db2.gz RVEBTPMHCPUBIM-UHFFFAOYSA-N 1 3 289.427 1.317 20 30 CDEDHO C=CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414692200 263032827 /nfs/dbraw/zinc/03/28/27/263032827.db2.gz KIUKGLJXQCDSCS-AWEZNQCLSA-N 1 3 265.401 1.082 20 30 CDEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000280821566 263064374 /nfs/dbraw/zinc/06/43/74/263064374.db2.gz NHALNKXPGBZOTC-SWLSCSKDSA-N 1 3 284.363 1.307 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417527375 328496166 /nfs/dbraw/zinc/49/61/66/328496166.db2.gz NLIYKCWTIMGUDH-CYBMUJFWSA-N 1 3 282.432 1.454 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000098092855 328701625 /nfs/dbraw/zinc/70/16/25/328701625.db2.gz XQMMCKHFXFGJIY-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@](C)(OC)C1(C)C ZINC000262528083 330019671 /nfs/dbraw/zinc/01/96/71/330019671.db2.gz MAOVGKFQBSKHAA-WWGRRREGSA-N 1 3 296.459 1.579 20 30 CDEDHO CC1(C)CCCN1CCNC(=[NH2+])NCC1CCC1 ZINC000263151181 330046097 /nfs/dbraw/zinc/04/60/97/330046097.db2.gz PMPOCKOUNAEWRX-UHFFFAOYSA-N 1 3 252.406 1.565 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424139482 330278969 /nfs/dbraw/zinc/27/89/69/330278969.db2.gz ANMCRVVQCOVBKQ-KGLIPLIRSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424139482 330278970 /nfs/dbraw/zinc/27/89/70/330278970.db2.gz ANMCRVVQCOVBKQ-KGLIPLIRSA-N 1 3 280.416 1.244 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000424143203 330287021 /nfs/dbraw/zinc/28/70/21/330287021.db2.gz ZJVQQEANMXVPBW-HZSPNIEDSA-N 1 3 265.401 1.148 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC#N ZINC000424160792 330306321 /nfs/dbraw/zinc/30/63/21/330306321.db2.gz UVDLPVACLUDVNA-GJZGRUSLSA-N 1 3 294.443 1.778 20 30 CDEDHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC#N ZINC000424160792 330306322 /nfs/dbraw/zinc/30/63/22/330306322.db2.gz UVDLPVACLUDVNA-GJZGRUSLSA-N 1 3 294.443 1.778 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC001122011035 1161114193 /nfs/dbraw/zinc/11/41/93/1161114193.db2.gz GGSSFWFOZJHHHH-OAHLLOKOSA-N 1 3 275.396 1.658 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792526 613302357 /nfs/dbraw/zinc/30/23/57/613302357.db2.gz KEKSLEFWEZHVNG-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969792526 613302358 /nfs/dbraw/zinc/30/23/58/613302358.db2.gz KEKSLEFWEZHVNG-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971777517 613610346 /nfs/dbraw/zinc/61/03/46/613610346.db2.gz DOZLECBBHKXUMU-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000925892473 617985901 /nfs/dbraw/zinc/98/59/01/617985901.db2.gz BMOVOGPWSCSYMZ-XHSDSOJGSA-N 1 3 299.422 1.875 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651679 629397022 /nfs/dbraw/zinc/39/70/22/629397022.db2.gz CJPBEASDNSNJIE-CHWSQXEVSA-N 1 3 255.406 1.624 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758199 679699985 /nfs/dbraw/zinc/69/99/85/679699985.db2.gz IDSWOCBZLTUPNJ-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041402339 679722669 /nfs/dbraw/zinc/72/26/69/679722669.db2.gz HRMHOCGYDMOVBV-NVXWUHKLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041402339 679722672 /nfs/dbraw/zinc/72/26/72/679722672.db2.gz HRMHOCGYDMOVBV-NVXWUHKLSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001074888532 679736916 /nfs/dbraw/zinc/73/69/16/679736916.db2.gz IJXXBIYAVMPDFD-AVGNSLFASA-N 1 3 253.390 1.092 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001023130179 679772112 /nfs/dbraw/zinc/77/21/12/679772112.db2.gz CVVWPPBWERSWRV-GASCZTMLSA-N 1 3 287.407 1.785 20 30 CDEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035797383 679845917 /nfs/dbraw/zinc/84/59/17/679845917.db2.gz ZZAZPZBALKTHOH-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022714609 679847831 /nfs/dbraw/zinc/84/78/31/679847831.db2.gz XFCUIVRNUJQSFF-MELADBBJSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000985482511 681235316 /nfs/dbraw/zinc/23/53/16/681235316.db2.gz VESAYKMEYRTEJM-HNNXBMFYSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000985482511 681235326 /nfs/dbraw/zinc/23/53/26/681235326.db2.gz VESAYKMEYRTEJM-HNNXBMFYSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000876751724 681834503 /nfs/dbraw/zinc/83/45/03/681834503.db2.gz WMTSPJKHPOYGIM-NEPJUHHUSA-N 1 3 273.808 1.447 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000876751724 681834505 /nfs/dbraw/zinc/83/45/05/681834505.db2.gz WMTSPJKHPOYGIM-NEPJUHHUSA-N 1 3 273.808 1.447 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743623 681839667 /nfs/dbraw/zinc/83/96/67/681839667.db2.gz WGCKIMMZAJBUGI-HNNXBMFYSA-N 1 3 289.423 1.049 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924657020 682306611 /nfs/dbraw/zinc/30/66/11/682306611.db2.gz FEIRNYLTCZNVNV-OAHLLOKOSA-N 1 3 280.460 1.932 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526878 682720342 /nfs/dbraw/zinc/72/03/42/682720342.db2.gz MFWMQHZCRYYSSZ-HNNXBMFYSA-N 1 3 289.423 1.219 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987521693 682821300 /nfs/dbraw/zinc/82/13/00/682821300.db2.gz CZOKBPFQFPJESR-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000261979816 683163775 /nfs/dbraw/zinc/16/37/75/683163775.db2.gz HLTJWPHRXNQYNB-VXGBXAGGSA-N 1 3 254.422 1.810 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046597216 683230949 /nfs/dbraw/zinc/23/09/49/683230949.db2.gz GIELEPBAMHQGTC-HNNXBMFYSA-N 1 3 265.401 1.095 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NCCCOCC ZINC000303895529 683343830 /nfs/dbraw/zinc/34/38/30/683343830.db2.gz TYMRYNQQWADXLN-OAHLLOKOSA-N 1 3 298.475 1.972 20 30 CDEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997100698 684118301 /nfs/dbraw/zinc/11/83/01/684118301.db2.gz OERLIBRVPMTITC-IIAWOOMASA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997100698 684118307 /nfs/dbraw/zinc/11/83/07/684118307.db2.gz OERLIBRVPMTITC-IIAWOOMASA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647901 684146145 /nfs/dbraw/zinc/14/61/45/684146145.db2.gz PKVLXDGBURFCJX-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647901 684146146 /nfs/dbraw/zinc/14/61/46/684146146.db2.gz PKVLXDGBURFCJX-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027465097 684212219 /nfs/dbraw/zinc/21/22/19/684212219.db2.gz RXVRRSBEBPVIME-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027465097 684212220 /nfs/dbraw/zinc/21/22/20/684212220.db2.gz RXVRRSBEBPVIME-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995804215 684241495 /nfs/dbraw/zinc/24/14/95/684241495.db2.gz RDKGBHIROFSOTR-LSDHHAIUSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001054735294 684289801 /nfs/dbraw/zinc/28/98/01/684289801.db2.gz CFKCBUHGSZKRSL-GXTWGEPZSA-N 1 3 265.401 1.093 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133183371 1163598898 /nfs/dbraw/zinc/59/88/98/1163598898.db2.gz ZMACWHLFPOZVKW-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCCC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273487882 1164359467 /nfs/dbraw/zinc/35/94/67/1164359467.db2.gz UMHPNRPXYBMMLP-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001752850934 1184933865 /nfs/dbraw/zinc/93/38/65/1184933865.db2.gz SCVVJKZOALXWMR-UHFFFAOYSA-N 1 3 277.412 1.121 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001753331902 1185157636 /nfs/dbraw/zinc/15/76/36/1185157636.db2.gz CVMNEJQAPIUVKI-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001753331902 1185157640 /nfs/dbraw/zinc/15/76/40/1185157640.db2.gz CVMNEJQAPIUVKI-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001753359812 1185168588 /nfs/dbraw/zinc/16/85/88/1185168588.db2.gz LYTJBUZAIARNHF-AWEZNQCLSA-N 1 3 267.417 1.293 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001753359812 1185168591 /nfs/dbraw/zinc/16/85/91/1185168591.db2.gz LYTJBUZAIARNHF-AWEZNQCLSA-N 1 3 267.417 1.293 20 30 CDEDHO C=CC[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001753508178 1185241388 /nfs/dbraw/zinc/24/13/88/1185241388.db2.gz YXCLMVLQYQTXJX-AWEZNQCLSA-N 1 3 279.428 1.533 20 30 CDEDHO C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753816054 1185343035 /nfs/dbraw/zinc/34/30/35/1185343035.db2.gz QOGORKAJHVAMAV-KBPBESRZSA-N 1 3 290.411 1.745 20 30 CDEDHO C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794615 1185733759 /nfs/dbraw/zinc/73/37/59/1185733759.db2.gz DWPJVKBMMBOIJM-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794832 1185734185 /nfs/dbraw/zinc/73/41/85/1185734185.db2.gz HXOOSFHCOVDXHC-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001754837322 1185744114 /nfs/dbraw/zinc/74/41/14/1185744114.db2.gz GXNWTGVPTQAZNY-UHFFFAOYSA-N 1 3 298.390 1.757 20 30 CDEDHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001755756815 1186059388 /nfs/dbraw/zinc/05/93/88/1186059388.db2.gz GSYSJIRLSKFHNT-HNNXBMFYSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856502 1163933815 /nfs/dbraw/zinc/93/38/15/1163933815.db2.gz HKPRJGVKJNSWKY-INIZCTEOSA-N 1 3 299.434 1.871 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246570 913709567 /nfs/dbraw/zinc/70/95/67/913709567.db2.gz OUONUFHEHCDDRZ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633405 914080290 /nfs/dbraw/zinc/08/02/90/914080290.db2.gz JMTUBYCPMZRIIU-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064424 899838899 /nfs/dbraw/zinc/83/88/99/899838899.db2.gz OCUCQOZZAMBXTH-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779198 915959195 /nfs/dbraw/zinc/95/91/95/915959195.db2.gz DVYRPCHWVDYGOV-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653065 917246150 /nfs/dbraw/zinc/24/61/50/917246150.db2.gz VBRPNTDMNOKBMC-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182607695 918009654 /nfs/dbraw/zinc/00/96/54/918009654.db2.gz JVYCMVIPGXEJJW-BFYDXBDKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228738 918370529 /nfs/dbraw/zinc/37/05/29/918370529.db2.gz RUBODQSBAMRASL-GDBMZVCRSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184557204 919192250 /nfs/dbraw/zinc/19/22/50/919192250.db2.gz UCWAIAFUOKQRMP-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158469 920907272 /nfs/dbraw/zinc/90/72/72/920907272.db2.gz PKSGLDPOIZJXHM-HUUCEWRRSA-N 1 3 281.444 1.872 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192188991 922939331 /nfs/dbraw/zinc/93/93/31/922939331.db2.gz AEJBVXANUJCVKQ-LSDHHAIUSA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192188991 922939339 /nfs/dbraw/zinc/93/93/39/922939339.db2.gz AEJBVXANUJCVKQ-LSDHHAIUSA-N 1 3 279.428 1.129 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368538 937054542 /nfs/dbraw/zinc/05/45/42/937054542.db2.gz ZGWZMBVSEDIGIG-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368538 937054545 /nfs/dbraw/zinc/05/45/45/937054545.db2.gz ZGWZMBVSEDIGIG-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102381840 937056323 /nfs/dbraw/zinc/05/63/23/937056323.db2.gz DRMLGYXBKSIQAM-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102381840 937056326 /nfs/dbraw/zinc/05/63/26/937056326.db2.gz DRMLGYXBKSIQAM-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086084881 926679690 /nfs/dbraw/zinc/67/96/90/926679690.db2.gz JOCWCDVNVXEKQP-XHSDSOJGSA-N 1 3 293.455 1.920 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086216885 926838966 /nfs/dbraw/zinc/83/89/66/926838966.db2.gz FDBWZAUMBBHJMC-OWCLPIDISA-N 1 3 291.439 1.367 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084093 937121113 /nfs/dbraw/zinc/12/11/13/937121113.db2.gz YADYLBONFFALRK-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084093 937121115 /nfs/dbraw/zinc/12/11/15/937121115.db2.gz YADYLBONFFALRK-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC[NH+]1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001169230830 927838173 /nfs/dbraw/zinc/83/81/73/927838173.db2.gz LTJSHWRVIIEZSY-UHFFFAOYSA-N 1 3 266.776 1.925 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303370 937346079 /nfs/dbraw/zinc/34/60/79/937346079.db2.gz BXBDATQTURTUNU-FOLVSLTJSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303370 937346083 /nfs/dbraw/zinc/34/60/83/937346083.db2.gz BXBDATQTURTUNU-FOLVSLTJSA-N 1 3 279.428 1.339 20 30 CDEDHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001152439539 937361734 /nfs/dbraw/zinc/36/17/34/937361734.db2.gz ODYYHEBUNJHVQZ-UHFFFAOYSA-N 1 3 288.395 1.104 20 30 CDEDHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC001275828721 932071467 /nfs/dbraw/zinc/07/14/67/932071467.db2.gz HGMDIQCZJIPEFO-ZWKOTPCHSA-N 1 3 298.434 1.626 20 30 CDEDHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC001275828721 932071471 /nfs/dbraw/zinc/07/14/71/932071471.db2.gz HGMDIQCZJIPEFO-ZWKOTPCHSA-N 1 3 298.434 1.626 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001091376172 932120377 /nfs/dbraw/zinc/12/03/77/932120377.db2.gz OFPODQRZWHWXTI-UHFFFAOYSA-N 1 3 299.418 1.479 20 30 CDEDHO CC(C)N1CCC[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000930702510 933433881 /nfs/dbraw/zinc/43/38/81/933433881.db2.gz GNGBZLRRDINRKN-HNNXBMFYSA-N 1 3 294.443 1.553 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001120536939 937807558 /nfs/dbraw/zinc/80/75/58/937807558.db2.gz SQNVDGPMGKUBGL-CABCVRRESA-N 1 3 294.443 1.100 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001007645141 935388606 /nfs/dbraw/zinc/38/86/06/935388606.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001007645141 935388612 /nfs/dbraw/zinc/38/86/12/935388612.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161699568 938922216 /nfs/dbraw/zinc/92/22/16/938922216.db2.gz VCAXJZRSVWADRT-MRXNPFEDSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161699568 938922217 /nfs/dbraw/zinc/92/22/17/938922217.db2.gz VCAXJZRSVWADRT-MRXNPFEDSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165617966 939572111 /nfs/dbraw/zinc/57/21/11/939572111.db2.gz STDZACYIJPJIBZ-HNNXBMFYSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627392 939620810 /nfs/dbraw/zinc/62/08/10/939620810.db2.gz UUFOFVTZXFENNR-GJZGRUSLSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677557 939625282 /nfs/dbraw/zinc/62/52/82/939625282.db2.gz JYCZMXWTZKBTGS-HUUCEWRRSA-N 1 3 281.444 1.779 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206275168 940010216 /nfs/dbraw/zinc/01/02/16/940010216.db2.gz PCUOGAJQMMFZRE-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccsc2)C1 ZINC001210315207 940682588 /nfs/dbraw/zinc/68/25/88/940682588.db2.gz MLSSTIRRJCOPAX-DGCLKSJQSA-N 1 3 280.393 1.749 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccsc2)C1 ZINC001210315207 940682589 /nfs/dbraw/zinc/68/25/89/940682589.db2.gz MLSSTIRRJCOPAX-DGCLKSJQSA-N 1 3 280.393 1.749 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210313970 940682788 /nfs/dbraw/zinc/68/27/88/940682788.db2.gz CSTFFMXNEHAGEI-HIFRSBDPSA-N 1 3 266.385 1.570 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426645 940690180 /nfs/dbraw/zinc/69/01/80/940690180.db2.gz JUKIKDVEWOSNJA-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053467 940918614 /nfs/dbraw/zinc/91/86/14/940918614.db2.gz OEHXUROZZQQINO-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851627 940968571 /nfs/dbraw/zinc/96/85/71/940968571.db2.gz CRIKZZUCFXMQTD-ZIAGYGMSSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220664027 941462523 /nfs/dbraw/zinc/46/25/23/941462523.db2.gz UPSLPAJCNQVEDC-GXTWGEPZSA-N 1 3 291.395 1.495 20 30 CDEDHO C=CC[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001221361463 941521796 /nfs/dbraw/zinc/52/17/96/941521796.db2.gz UHDDPPDCXHFEGE-HUUCEWRRSA-N 1 3 285.391 1.229 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001227907914 942243247 /nfs/dbraw/zinc/24/32/47/942243247.db2.gz JABGAXJKKRWEIC-HNNXBMFYSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCN1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228053928 942263420 /nfs/dbraw/zinc/26/34/20/942263420.db2.gz LSIWGLBFRIWJOX-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228053928 942263424 /nfs/dbraw/zinc/26/34/24/942263424.db2.gz LSIWGLBFRIWJOX-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282414164 942709013 /nfs/dbraw/zinc/70/90/13/942709013.db2.gz VSMYFPLNUHYSGE-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001282414164 942709016 /nfs/dbraw/zinc/70/90/16/942709016.db2.gz VSMYFPLNUHYSGE-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO CC(C)N1CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254643666 947565260 /nfs/dbraw/zinc/56/52/60/947565260.db2.gz QPYTYYFYLVTSJP-HUUCEWRRSA-N 1 3 264.417 1.294 20 30 CDEDHO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246158882 947998441 /nfs/dbraw/zinc/99/84/41/947998441.db2.gz VBDSNUAPJZUSFZ-HNNXBMFYSA-N 1 3 287.407 1.233 20 30 CDEDHO C=C[C@](C)(O)C[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001252557387 951450877 /nfs/dbraw/zinc/45/08/77/951450877.db2.gz LZLRRAUNOONVGG-INIZCTEOSA-N 1 3 282.428 1.499 20 30 CDEDHO C=C[C@](C)(O)CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001252572373 951464293 /nfs/dbraw/zinc/46/42/93/951464293.db2.gz PVBDWIYLYSIYJC-KKUMJFAQSA-N 1 3 254.418 1.881 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253586499 951977043 /nfs/dbraw/zinc/97/70/43/951977043.db2.gz NVUVLGYTCAQXFJ-BZSNNMDCSA-N 1 3 286.419 1.987 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253586499 951977050 /nfs/dbraw/zinc/97/70/50/951977050.db2.gz NVUVLGYTCAQXFJ-BZSNNMDCSA-N 1 3 286.419 1.987 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC001340484079 962961814 /nfs/dbraw/zinc/96/18/14/962961814.db2.gz NXMVIPCLKIKPOT-LSDHHAIUSA-N 1 3 293.455 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001341659750 963500418 /nfs/dbraw/zinc/50/04/18/963500418.db2.gz SGKYYYXFFJTWLT-CABCVRRESA-N 1 3 279.428 1.757 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC001353468494 968000158 /nfs/dbraw/zinc/00/01/58/968000158.db2.gz DNBNIIAQNSVHOW-KGLIPLIRSA-N 1 3 267.417 1.613 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397624730 975658620 /nfs/dbraw/zinc/65/86/20/975658620.db2.gz MENNPTVLOFXMOW-BETUJISGSA-N 1 3 299.846 1.565 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153465 1163182422 /nfs/dbraw/zinc/18/24/22/1163182422.db2.gz QWBNIZXMNMPNLZ-GJZGRUSLSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132153465 1163182425 /nfs/dbraw/zinc/18/24/25/1163182425.db2.gz QWBNIZXMNMPNLZ-GJZGRUSLSA-N 1 3 293.455 1.709 20 30 CDEDHO CC1(C)CCNCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001576446602 1171423523 /nfs/dbraw/zinc/42/35/23/1171423523.db2.gz UGRLCKKGQHQECP-CYBMUJFWSA-N 1 3 265.401 1.505 20 30 CDEDHO CC1(C)CCNCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001576446602 1171423527 /nfs/dbraw/zinc/42/35/27/1171423527.db2.gz UGRLCKKGQHQECP-CYBMUJFWSA-N 1 3 265.401 1.505 20 30 CDEDHO C=CCNC(=[NH2+])NCC[C@H](C)N(C)Cc1ccccc1 ZINC000081781012 342373675 /nfs/dbraw/zinc/37/36/75/342373675.db2.gz DPQWAGVPAREKPJ-AWEZNQCLSA-N 1 3 274.412 1.987 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612878832 347311449 /nfs/dbraw/zinc/31/14/49/347311449.db2.gz OBBUQAXZULPBLY-HNNXBMFYSA-N 1 3 280.416 1.078 20 30 CDEDHO C=CCN1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000178769016 189144584 /nfs/dbraw/zinc/14/45/84/189144584.db2.gz ONLNBCLMVCZWJM-UHFFFAOYSA-N 1 3 273.380 1.526 20 30 CDEDHO CN(C)C(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000170911494 365161163 /nfs/dbraw/zinc/16/11/63/365161163.db2.gz YHLUZQSUJNDJGF-LBPRGKRZSA-N 1 3 280.441 1.836 20 30 CDEDHO CC[C@H](CNC(=[NH2+])Nc1ccccn1)N1CCCC1 ZINC000170912881 365162408 /nfs/dbraw/zinc/16/24/08/365162408.db2.gz OWCNYNLZUMEDCL-GFCCVEGCSA-N 1 3 261.373 1.683 20 30 CDEDHO CCN1CCN(CCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000075800635 374199245 /nfs/dbraw/zinc/19/92/45/374199245.db2.gz AGVNMZVDLZPALO-UHFFFAOYSA-N 1 3 286.423 1.675 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417521555 377818599 /nfs/dbraw/zinc/81/85/99/377818599.db2.gz FNTXGUUARKGRAC-MRXNPFEDSA-N 1 3 294.443 1.326 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442712023 391732736 /nfs/dbraw/zinc/73/27/36/391732736.db2.gz FYZOATYEWHXFMB-GJZGRUSLSA-N 1 3 264.417 1.296 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN(Cc3cccs3)C2)N1 ZINC000262685701 391812960 /nfs/dbraw/zinc/81/29/60/391812960.db2.gz YIFJCTGQSHYDLM-OLZOCXBDSA-N 1 3 292.452 1.897 20 30 CDEDHO CNC[C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423284362 392960001 /nfs/dbraw/zinc/96/00/01/392960001.db2.gz YFKDRLTXVIVZDN-AWEZNQCLSA-N 1 3 286.423 1.972 20 30 CDEDHO C[NH2+]C[C@H](C)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423284362 392960002 /nfs/dbraw/zinc/96/00/02/392960002.db2.gz YFKDRLTXVIVZDN-AWEZNQCLSA-N 1 3 286.423 1.972 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000619672673 393177262 /nfs/dbraw/zinc/17/72/62/393177262.db2.gz MENWKZDTKUGYKQ-KKUMJFAQSA-N 1 3 276.428 1.437 20 30 CDEDHO CN1CCN(CCNC(=[NH2+])Nc2ccccc2)CC1(C)C ZINC000281770373 263072018 /nfs/dbraw/zinc/07/20/18/263072018.db2.gz MDWQJCXFCKQWOC-UHFFFAOYSA-N 1 3 289.427 1.439 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417527870 264415736 /nfs/dbraw/zinc/41/57/36/264415736.db2.gz OAFIPRXIMXURIN-HIFRSBDPSA-N 1 3 294.443 1.406 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000357168178 266259375 /nfs/dbraw/zinc/25/93/75/266259375.db2.gz BFYRSDTWFLYFMX-HOCLYGCPSA-N 1 3 293.455 1.657 20 30 CDEDHO CC(C#N)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000357811205 266369744 /nfs/dbraw/zinc/36/97/44/266369744.db2.gz DXXKSPSVGGPHOX-UPJWGTAASA-N 1 3 251.374 1.630 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000334910991 277775333 /nfs/dbraw/zinc/77/53/33/277775333.db2.gz QHNNLGDEZSFZRT-UONOGXRCSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000340598865 328295678 /nfs/dbraw/zinc/29/56/78/328295678.db2.gz ASGQJUVZAGGZGN-CQSZACIVSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC000171714506 329078763 /nfs/dbraw/zinc/07/87/63/329078763.db2.gz UDPCYDLBIHVGTD-UHFFFAOYSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000422861790 330157982 /nfs/dbraw/zinc/15/79/82/330157982.db2.gz OZRPNIFITHOFSS-CABCVRRESA-N 1 3 251.418 1.886 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423372993 330195171 /nfs/dbraw/zinc/19/51/71/330195171.db2.gz GOAZJINXQGWSOR-OCCSQVGLSA-N 1 3 267.417 1.372 20 30 CDEDHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424170539 330310750 /nfs/dbraw/zinc/31/07/50/330310750.db2.gz BHLKGXQFSXPNNQ-TZMCWYRMSA-N 1 3 280.416 1.196 20 30 CDEDHO C=CCN1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458339623 331249484 /nfs/dbraw/zinc/24/94/84/331249484.db2.gz SUDCIPWJWAICMR-UHFFFAOYSA-N 1 3 282.432 1.276 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000491666862 332275319 /nfs/dbraw/zinc/27/53/19/332275319.db2.gz QXWMRFYXPRYGTH-UHFFFAOYSA-N 1 3 296.459 1.361 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000491813100 332365146 /nfs/dbraw/zinc/36/51/46/332365146.db2.gz PXLWZYWHYQAJNQ-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000491813100 332365148 /nfs/dbraw/zinc/36/51/48/332365148.db2.gz PXLWZYWHYQAJNQ-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)C[N@@H+](C)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001752060485 1184815848 /nfs/dbraw/zinc/81/58/48/1184815848.db2.gz TXJFXYBPTFZQIK-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO C=C(C)C[N@H+](C)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001752060485 1184815853 /nfs/dbraw/zinc/81/58/53/1184815853.db2.gz TXJFXYBPTFZQIK-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001753053349 1185024059 /nfs/dbraw/zinc/02/40/59/1185024059.db2.gz ORWCTBKVBCMLRZ-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001753053349 1185024065 /nfs/dbraw/zinc/02/40/65/1185024065.db2.gz ORWCTBKVBCMLRZ-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO C#CCN(CCC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753144994 1185083229 /nfs/dbraw/zinc/08/32/29/1185083229.db2.gz QGFNTEIAQSTYDJ-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCN(CCC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001753144994 1185083235 /nfs/dbraw/zinc/08/32/35/1185083235.db2.gz QGFNTEIAQSTYDJ-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001755165951 1185837523 /nfs/dbraw/zinc/83/75/23/1185837523.db2.gz UQYUBBJLTDDNOV-KGLIPLIRSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001755165951 1185837527 /nfs/dbraw/zinc/83/75/27/1185837527.db2.gz UQYUBBJLTDDNOV-KGLIPLIRSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCNC(C)(C)C2)CC1 ZINC000334905466 526429901 /nfs/dbraw/zinc/42/99/01/526429901.db2.gz AOAJQOHEEALQKL-UHFFFAOYSA-N 1 3 280.416 1.030 20 30 CDEDHO C=C(CN(C)C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000764495392 575916093 /nfs/dbraw/zinc/91/60/93/575916093.db2.gz SUUNAKPVWLHGGS-UHFFFAOYSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970452909 612962782 /nfs/dbraw/zinc/96/27/82/612962782.db2.gz LKQJEKJGVIRPQW-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970452909 612962784 /nfs/dbraw/zinc/96/27/84/612962784.db2.gz LKQJEKJGVIRPQW-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604089 613031974 /nfs/dbraw/zinc/03/19/74/613031974.db2.gz FCQOTCJWRPMUPK-RBSFLKMASA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604089 613031975 /nfs/dbraw/zinc/03/19/75/613031975.db2.gz FCQOTCJWRPMUPK-RBSFLKMASA-N 1 3 291.439 1.177 20 30 CDEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036260 613488856 /nfs/dbraw/zinc/48/88/56/613488856.db2.gz AYXYWYKDHXCNKT-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036260 613488857 /nfs/dbraw/zinc/48/88/57/613488857.db2.gz AYXYWYKDHXCNKT-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948246111 613501007 /nfs/dbraw/zinc/50/10/07/613501007.db2.gz VPGFXBNNEPNMTP-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948246111 613501009 /nfs/dbraw/zinc/50/10/09/613501009.db2.gz VPGFXBNNEPNMTP-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980476538 613614674 /nfs/dbraw/zinc/61/46/74/613614674.db2.gz SNDXUVXLJTZIPS-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980476538 613614676 /nfs/dbraw/zinc/61/46/76/613614676.db2.gz SNDXUVXLJTZIPS-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO CCN(CC)C(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000104155069 617617203 /nfs/dbraw/zinc/61/72/03/617617203.db2.gz FGDAMXSNBFEKFG-UHFFFAOYSA-N 1 3 254.422 1.907 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000908436176 628198812 /nfs/dbraw/zinc/19/88/12/628198812.db2.gz CNKMFIGMNXVNJG-HNNXBMFYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000908436176 628198813 /nfs/dbraw/zinc/19/88/13/628198813.db2.gz CNKMFIGMNXVNJG-HNNXBMFYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911726219 629443689 /nfs/dbraw/zinc/44/36/89/629443689.db2.gz RTISKHSMFXUBEV-XQQFMLRXSA-N 1 3 253.390 1.174 20 30 CDEDHO C#CCN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000886208918 684336031 /nfs/dbraw/zinc/33/60/31/684336031.db2.gz ADRUMHDXTNULGQ-JYJNAYRXSA-N 1 3 261.413 1.300 20 30 CDEDHO C#CCN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000886208918 684336039 /nfs/dbraw/zinc/33/60/39/684336039.db2.gz ADRUMHDXTNULGQ-JYJNAYRXSA-N 1 3 261.413 1.300 20 30 CDEDHO CCCC1(CNC(=[NH2+])NC[C@@H]2CCCN2CC)CC1 ZINC000305098315 685469807 /nfs/dbraw/zinc/46/98/07/685469807.db2.gz WOXWRGHMWCAFGX-ZDUSSCGKSA-N 1 3 266.433 1.955 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000985638587 684381719 /nfs/dbraw/zinc/38/17/19/684381719.db2.gz QBHHLWHRYQGPGA-OAHLLOKOSA-N 1 3 279.428 1.129 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000985638587 684381724 /nfs/dbraw/zinc/38/17/24/684381724.db2.gz QBHHLWHRYQGPGA-OAHLLOKOSA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046318263 684462952 /nfs/dbraw/zinc/46/29/52/684462952.db2.gz WRWRLTZAAOIORC-DOTOQJQBSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046318263 684462959 /nfs/dbraw/zinc/46/29/59/684462959.db2.gz WRWRLTZAAOIORC-DOTOQJQBSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044859021 684473685 /nfs/dbraw/zinc/47/36/85/684473685.db2.gz YWTPYSQVWVAQMI-KBPBESRZSA-N 1 3 299.846 1.804 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950695 684636845 /nfs/dbraw/zinc/63/68/45/684636845.db2.gz SDEYCGVAMMBFSK-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950695 684636846 /nfs/dbraw/zinc/63/68/46/684636846.db2.gz SDEYCGVAMMBFSK-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001072990299 684853149 /nfs/dbraw/zinc/85/31/49/684853149.db2.gz WMZUIWHKYLMSES-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001072990299 684853150 /nfs/dbraw/zinc/85/31/50/684853150.db2.gz WMZUIWHKYLMSES-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CC1 ZINC000305187365 684895695 /nfs/dbraw/zinc/89/56/95/684895695.db2.gz XMSTXEZQLMZHTC-CYBMUJFWSA-N 1 3 282.432 1.192 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696133 685965096 /nfs/dbraw/zinc/96/50/96/685965096.db2.gz XRQYJGSMHWZBOX-JKSUJKDBSA-N 1 3 291.439 1.580 20 30 CDEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)NC1CC1 ZINC000303387432 686937470 /nfs/dbraw/zinc/93/74/70/686937470.db2.gz BHLWRTWVJNMTDT-WFASDCNBSA-N 1 3 266.433 1.824 20 30 CDEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035669481 686997372 /nfs/dbraw/zinc/99/73/72/686997372.db2.gz RQEFNLSQMYHJKB-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCN(C)CC1 ZINC000886577294 687680818 /nfs/dbraw/zinc/68/08/18/687680818.db2.gz CRCYHUASSYMKCV-GJZGRUSLSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCN(C)CC1 ZINC000886577294 687680825 /nfs/dbraw/zinc/68/08/25/687680825.db2.gz CRCYHUASSYMKCV-GJZGRUSLSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCOc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1 ZINC001222537902 1159640950 /nfs/dbraw/zinc/64/09/50/1159640950.db2.gz IFYVCIZNGFHSHW-UHFFFAOYSA-N 1 3 276.355 1.961 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001481439290 1159699549 /nfs/dbraw/zinc/69/95/49/1159699549.db2.gz UGDJJUNCQYMWIE-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001481439290 1159699550 /nfs/dbraw/zinc/69/95/50/1159699550.db2.gz UGDJJUNCQYMWIE-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423889 1163276771 /nfs/dbraw/zinc/27/67/71/1163276771.db2.gz 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1185981911 /nfs/dbraw/zinc/98/19/11/1185981911.db2.gz DORWYHMXLBACAA-UHFFFAOYSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001755530448 1185981914 /nfs/dbraw/zinc/98/19/14/1185981914.db2.gz DORWYHMXLBACAA-UHFFFAOYSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154000985 1165841835 /nfs/dbraw/zinc/84/18/35/1165841835.db2.gz NMCAGTDKGHWZQJ-HUUCEWRRSA-N 1 3 299.459 1.356 20 30 CDEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154000985 1165841844 /nfs/dbraw/zinc/84/18/44/1165841844.db2.gz NMCAGTDKGHWZQJ-HUUCEWRRSA-N 1 3 299.459 1.356 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175317194 913540403 /nfs/dbraw/zinc/54/04/03/913540403.db2.gz MTYQXUUSXYSRNV-KBPBESRZSA-N 1 3 267.417 1.224 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266353089 894516235 /nfs/dbraw/zinc/51/62/35/894516235.db2.gz OCUFPLRCPOFZPR-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209474633 894746660 /nfs/dbraw/zinc/74/66/60/894746660.db2.gz IEGBJXLWDZVRDB-HUUCEWRRSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104290522 895423083 /nfs/dbraw/zinc/42/30/83/895423083.db2.gz BHRKSLQAEILPAM-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676715 898873673 /nfs/dbraw/zinc/87/36/73/898873673.db2.gz VGVMOMTYQNTCON-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482236258 904024190 /nfs/dbraw/zinc/02/41/90/904024190.db2.gz CIKKPXQKBTVRRA-CYBMUJFWSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001482236258 904024201 /nfs/dbraw/zinc/02/42/01/904024201.db2.gz CIKKPXQKBTVRRA-CYBMUJFWSA-N 1 3 299.846 1.709 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001088327641 906903575 /nfs/dbraw/zinc/90/35/75/906903575.db2.gz SODKEQIIGYXNNH-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@H]1CCCN1C(C)C ZINC001127082310 911316784 /nfs/dbraw/zinc/31/67/84/911316784.db2.gz PJBXXQJVNFMZNZ-CQSZACIVSA-N 1 3 267.417 1.531 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[NH+]1CCCCC1 ZINC000691601330 915685312 /nfs/dbraw/zinc/68/53/12/915685312.db2.gz LILFJDAKQWSGAJ-ZIAGYGMSSA-N 1 3 280.416 1.388 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178990298 915717292 /nfs/dbraw/zinc/71/72/92/915717292.db2.gz QUOWPXQHDAAYGC-SOUVJXGZSA-N 1 3 281.444 1.872 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179498936 915863087 /nfs/dbraw/zinc/86/30/87/915863087.db2.gz JEBXTRVRCJXRLN-MRXNPFEDSA-N 1 3 295.471 1.862 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131594 916148151 /nfs/dbraw/zinc/14/81/51/916148151.db2.gz HRDUUVOWHTYNHF-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609327 919214781 /nfs/dbraw/zinc/21/47/81/919214781.db2.gz MBBWMOYKDTUUSW-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609327 919214795 /nfs/dbraw/zinc/21/47/95/919214795.db2.gz MBBWMOYKDTUUSW-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185217938 919481854 /nfs/dbraw/zinc/48/18/54/919481854.db2.gz XQVHAIMOXZHOBT-KBPBESRZSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185335166 919556270 /nfs/dbraw/zinc/55/62/70/919556270.db2.gz APMXXWPJOHRGJX-LSDHHAIUSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190435849 922011392 /nfs/dbraw/zinc/01/13/92/922011392.db2.gz KCYPCMCJYDVPCM-LSDHHAIUSA-N 1 3 299.434 1.775 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190435849 922011397 /nfs/dbraw/zinc/01/13/97/922011397.db2.gz KCYPCMCJYDVPCM-LSDHHAIUSA-N 1 3 299.434 1.775 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001191030526 922361742 /nfs/dbraw/zinc/36/17/42/922361742.db2.gz URXSWUXOGJSUHZ-AWEZNQCLSA-N 1 3 279.428 1.273 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001191030526 922361756 /nfs/dbraw/zinc/36/17/56/922361756.db2.gz URXSWUXOGJSUHZ-AWEZNQCLSA-N 1 3 279.428 1.273 20 30 CDEDHO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550730 923125436 /nfs/dbraw/zinc/12/54/36/923125436.db2.gz LAYYVRHDTCOOOY-HIFRSBDPSA-N 1 3 290.411 1.840 20 30 CDEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550730 923125446 /nfs/dbraw/zinc/12/54/46/923125446.db2.gz LAYYVRHDTCOOOY-HIFRSBDPSA-N 1 3 290.411 1.840 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192948194 923332392 /nfs/dbraw/zinc/33/23/92/923332392.db2.gz PYTDKLWINFMWTO-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192948194 923332408 /nfs/dbraw/zinc/33/24/08/923332408.db2.gz PYTDKLWINFMWTO-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266701 924140618 /nfs/dbraw/zinc/14/06/18/924140618.db2.gz YSSTYGOLGZSRNL-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266701 924140625 /nfs/dbraw/zinc/14/06/25/924140625.db2.gz YSSTYGOLGZSRNL-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO N#Cc1cccc(CCCN2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205664889 924224653 /nfs/dbraw/zinc/22/46/53/924224653.db2.gz PHIPZXKBYBZBJM-QGZVFWFLSA-N 1 3 287.407 1.667 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCCCC)CC1 ZINC001152330228 925115146 /nfs/dbraw/zinc/11/51/46/925115146.db2.gz JOSZTQSSHBCAJT-UHFFFAOYSA-N 1 3 293.455 1.618 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226616 937140536 /nfs/dbraw/zinc/14/05/36/937140536.db2.gz LHXCREGDWPLSHV-UHFFFAOYSA-N 1 3 255.406 1.389 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108784167 928634945 /nfs/dbraw/zinc/63/49/45/928634945.db2.gz KZNHNCMHKCVXEA-XHSDSOJGSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585982 929203552 /nfs/dbraw/zinc/20/35/52/929203552.db2.gz BXOZJCGHZCJXJO-RDJZCZTQSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152458191 937361950 /nfs/dbraw/zinc/36/19/50/937361950.db2.gz MMHQJXZZHNJQIB-CYBMUJFWSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135440254 930209807 /nfs/dbraw/zinc/20/98/07/930209807.db2.gz ISYZQVIPMMTLML-UHFFFAOYSA-N 1 3 269.433 1.780 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135745954 930393137 /nfs/dbraw/zinc/39/31/37/930393137.db2.gz CNSLTZKAKTYUJF-KBPBESRZSA-N 1 3 267.417 1.224 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153381207 937443733 /nfs/dbraw/zinc/44/37/33/937443733.db2.gz FVRYGXTUVKYYOG-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085014 937632236 /nfs/dbraw/zinc/63/22/36/937632236.db2.gz GXGJWIOSGQXPPI-HUUCEWRRSA-N 1 3 281.444 1.423 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085014 937632237 /nfs/dbraw/zinc/63/22/37/937632237.db2.gz GXGJWIOSGQXPPI-HUUCEWRRSA-N 1 3 281.444 1.423 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001122055747 937902554 /nfs/dbraw/zinc/90/25/54/937902554.db2.gz NCMDJXQNHGEHRC-CVEARBPZSA-N 1 3 293.455 1.908 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092119 938452950 /nfs/dbraw/zinc/45/29/50/938452950.db2.gz LRZIISTZTUWNBN-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001157108764 938455259 /nfs/dbraw/zinc/45/52/59/938455259.db2.gz DHIAGIXPVQHZBV-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001157108764 938455262 /nfs/dbraw/zinc/45/52/62/938455262.db2.gz DHIAGIXPVQHZBV-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687278 939626830 /nfs/dbraw/zinc/62/68/30/939626830.db2.gz LMDIKXUQIJHXTB-MRXNPFEDSA-N 1 3 297.418 1.318 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523289 939691055 /nfs/dbraw/zinc/69/10/55/939691055.db2.gz QEEYNJZLHZIFDU-CABCVRRESA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651584 939699759 /nfs/dbraw/zinc/69/97/59/939699759.db2.gz OFERCIGPFJERDP-CABCVRRESA-N 1 3 293.455 1.921 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469592 939891954 /nfs/dbraw/zinc/89/19/54/939891954.db2.gz NRRSXXGCDHIEOD-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205462471 939892605 /nfs/dbraw/zinc/89/26/05/939892605.db2.gz ZDVFRTIRHJRRTF-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205516314 939895473 /nfs/dbraw/zinc/89/54/73/939895473.db2.gz YSZWWHUICCKZFL-CQSZACIVSA-N 1 3 267.417 1.341 20 30 CDEDHO C[C@]1(C[NH3+])CCCN(Cc2cc(C#N)ccn2)CC1 ZINC001206317502 940017204 /nfs/dbraw/zinc/01/72/04/940017204.db2.gz GLEKPBVUOSJQLM-HNNXBMFYSA-N 1 3 258.369 1.904 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890463 940108144 /nfs/dbraw/zinc/10/81/44/940108144.db2.gz SRIPHQHSWWYHEG-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515605 940336651 /nfs/dbraw/zinc/33/66/51/940336651.db2.gz WBNHDOQUJATAFL-RBSFLKMASA-N 1 3 281.444 1.585 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515605 940336656 /nfs/dbraw/zinc/33/66/56/940336656.db2.gz WBNHDOQUJATAFL-RBSFLKMASA-N 1 3 281.444 1.585 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001210314110 940682794 /nfs/dbraw/zinc/68/27/94/940682794.db2.gz FLYUVYRTIRWKFA-GFCCVEGCSA-N 1 3 296.321 1.496 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211282848 940745552 /nfs/dbraw/zinc/74/55/52/940745552.db2.gz DGVSXWZNQYTKBU-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001218871170 941282551 /nfs/dbraw/zinc/28/25/51/941282551.db2.gz HYZVSXWHIIBYLW-SMDDNHRTSA-N 1 3 284.363 1.061 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224752761 941789639 /nfs/dbraw/zinc/78/96/39/941789639.db2.gz DFDOQIOKMGJTCX-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150228 942141702 /nfs/dbraw/zinc/14/17/02/942141702.db2.gz NGYJGALYSFTMAQ-HUUCEWRRSA-N 1 3 293.455 1.757 20 30 CDEDHO C=CCOCCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904526 942390782 /nfs/dbraw/zinc/39/07/82/942390782.db2.gz KSNNHAXWWOERHA-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230366809 942611570 /nfs/dbraw/zinc/61/15/70/942611570.db2.gz IVRSTQIFLAPVOW-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001263111187 943751533 /nfs/dbraw/zinc/75/15/33/943751533.db2.gz VBENSUUWHDKLJF-CQSZACIVSA-N 1 3 267.417 1.659 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCC#N ZINC001277945094 944154718 /nfs/dbraw/zinc/15/47/18/944154718.db2.gz MAWAIIWYRKKESG-KBPBESRZSA-N 1 3 250.390 1.000 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2CCCC#N ZINC001277945094 944154723 /nfs/dbraw/zinc/15/47/23/944154723.db2.gz MAWAIIWYRKKESG-KBPBESRZSA-N 1 3 250.390 1.000 20 30 CDEDHO N#Cc1cc(-c2ncc3c(n2)CCNC3)cc(C2C[NH2+]C2)c1 ZINC001240337495 945795192 /nfs/dbraw/zinc/79/51/92/945795192.db2.gz LEIRNTABYQETHG-UHFFFAOYSA-N 1 3 291.358 1.348 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669843 963062487 /nfs/dbraw/zinc/06/24/87/963062487.db2.gz AOUGHCPQHXCZPJ-HZPDHXFCSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001340669843 963062498 /nfs/dbraw/zinc/06/24/98/963062498.db2.gz AOUGHCPQHXCZPJ-HZPDHXFCSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340864738 963158270 /nfs/dbraw/zinc/15/82/70/963158270.db2.gz JIDQPWXSWUPRSN-XQQFMLRXSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001340864738 963158275 /nfs/dbraw/zinc/15/82/75/963158275.db2.gz JIDQPWXSWUPRSN-XQQFMLRXSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001341605547 963480107 /nfs/dbraw/zinc/48/01/07/963480107.db2.gz OKYCZNRSDHEONV-CABCVRRESA-N 1 3 279.428 1.757 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001341677878 963508095 /nfs/dbraw/zinc/50/80/95/963508095.db2.gz USYBTJNERMUTEN-GJZGRUSLSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001341677878 963508099 /nfs/dbraw/zinc/50/80/99/963508099.db2.gz USYBTJNERMUTEN-GJZGRUSLSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001341777907 963538757 /nfs/dbraw/zinc/53/87/57/963538757.db2.gz NHPAODGEVWOILQ-XHSDSOJGSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001354189621 968527405 /nfs/dbraw/zinc/52/74/05/968527405.db2.gz BHCZAFKUVBIHQL-AWEZNQCLSA-N 1 3 267.417 1.614 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N(C)CCN1CCCCC1 ZINC001354189621 968527409 /nfs/dbraw/zinc/52/74/09/968527409.db2.gz BHCZAFKUVBIHQL-AWEZNQCLSA-N 1 3 267.417 1.614 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135006 1163579126 /nfs/dbraw/zinc/57/91/26/1163579126.db2.gz JSTXPABNSBPSST-KGLIPLIRSA-N 1 3 288.395 1.050 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccsc1 ZINC000170903929 342524764 /nfs/dbraw/zinc/52/47/64/342524764.db2.gz OWXBMNBYFPZFFR-ZDUSSCGKSA-N 1 3 280.441 1.679 20 30 CDEDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000439708672 361831291 /nfs/dbraw/zinc/83/12/91/361831291.db2.gz ZSNXFIQMKWDOAA-STQMWFEESA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000439708672 361831297 /nfs/dbraw/zinc/83/12/97/361831297.db2.gz ZSNXFIQMKWDOAA-STQMWFEESA-N 1 3 251.374 1.773 20 30 CDEDHO C[NH+](C)CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594437092 342898164 /nfs/dbraw/zinc/89/81/64/342898164.db2.gz HWVIKNSRUIFAFH-KBPBESRZSA-N 1 3 296.459 1.880 20 30 CDEDHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594438593 342906264 /nfs/dbraw/zinc/90/62/64/342906264.db2.gz KLLQTGCFDLDPPO-HUUCEWRRSA-N 1 3 294.443 1.588 20 30 CDEDHO N#Cc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594494629 342913957 /nfs/dbraw/zinc/91/39/57/342913957.db2.gz ODMRXGDWQGAPKJ-QGZVFWFLSA-N 1 3 285.391 1.901 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595992428 343213350 /nfs/dbraw/zinc/21/33/50/343213350.db2.gz QSUUMVLQAMFALP-GJZGRUSLSA-N 1 3 292.427 1.246 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992428 343213351 /nfs/dbraw/zinc/21/33/51/343213351.db2.gz QSUUMVLQAMFALP-GJZGRUSLSA-N 1 3 292.427 1.246 20 30 CDEDHO CNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264114981 362971129 /nfs/dbraw/zinc/97/11/29/362971129.db2.gz SHOSMWUUSJSCRK-UHFFFAOYSA-N 1 3 266.414 1.494 20 30 CDEDHO C=C(C)CN1CCC([NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629561699 363007466 /nfs/dbraw/zinc/00/74/66/363007466.db2.gz XPMLGFKCOZDDNN-MRXNPFEDSA-N 1 3 281.444 1.073 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000337141824 360005859 /nfs/dbraw/zinc/00/58/59/360005859.db2.gz SQQZEPHPGFYQEM-CQSZACIVSA-N 1 3 265.401 1.047 20 30 CDEDHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000349923048 360962622 /nfs/dbraw/zinc/96/26/22/360962622.db2.gz UXPJZRXSCHYFPP-CHWSQXEVSA-N 1 3 267.373 1.105 20 30 CDEDHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(C)C#N)CC2)CC1 ZINC000434434977 361326607 /nfs/dbraw/zinc/32/66/07/361326607.db2.gz OBGYITMBRKNIDO-CQSZACIVSA-N 1 3 292.427 1.163 20 30 CDEDHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(C#N)cs1 ZINC000514666430 374106172 /nfs/dbraw/zinc/10/61/72/374106172.db2.gz PZQRPZHMXTVRSY-UHFFFAOYSA-N 1 3 294.468 1.935 20 30 CDEDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(C#N)cs1 ZINC000514666430 374106182 /nfs/dbraw/zinc/10/61/82/374106182.db2.gz PZQRPZHMXTVRSY-UHFFFAOYSA-N 1 3 294.468 1.935 20 30 CDEDHO CN(CCCN(C)Cc1cc(C#N)cs1)CC[NH+](C)C ZINC000514666430 374106189 /nfs/dbraw/zinc/10/61/89/374106189.db2.gz PZQRPZHMXTVRSY-UHFFFAOYSA-N 1 3 294.468 1.935 20 30 CDEDHO C=C(C)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130655595 375317068 /nfs/dbraw/zinc/31/70/68/375317068.db2.gz BSWJTMLWLFCKKE-UHFFFAOYSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417532294 377889503 /nfs/dbraw/zinc/88/95/03/377889503.db2.gz FBODJSLZDKCAHQ-CQSZACIVSA-N 1 3 282.432 1.309 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097257 378184610 /nfs/dbraw/zinc/18/46/10/378184610.db2.gz WHGGREOOTNEVHQ-KFWWJZLASA-N 1 3 281.444 1.785 20 30 CDEDHO CC[C@]1(NCC#CC[NH2+][C@@]2(CC)CCOC2)CCOC1 ZINC000671243687 483198129 /nfs/dbraw/zinc/19/81/29/483198129.db2.gz JKXYFMQSBOSJJN-HOTGVXAUSA-N 1 3 280.412 1.307 20 30 CDEDHO C[NH+]=C(NCc1ccc(OCCN(C)C)cc1)NC1CC1 ZINC000103338009 390476361 /nfs/dbraw/zinc/47/63/61/390476361.db2.gz KOXQMYCUVWOBED-UHFFFAOYSA-N 1 3 290.411 1.454 20 30 CDEDHO CCCNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000104168663 390485683 /nfs/dbraw/zinc/48/56/83/390485683.db2.gz YCZPPPIXBHRSIX-UHFFFAOYSA-N 1 3 274.412 1.749 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000417070769 391340291 /nfs/dbraw/zinc/34/02/91/391340291.db2.gz VTALLLWYZZQXPY-AWEZNQCLSA-N 1 3 296.459 1.722 20 30 CDEDHO C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261952061 391739778 /nfs/dbraw/zinc/73/97/78/391739778.db2.gz HRJFGEKUKOSHDQ-FZMZJTMJSA-N 1 3 292.431 1.112 20 30 CDEDHO CC(C#N)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347479248 226179151 /nfs/dbraw/zinc/17/91/51/226179151.db2.gz KEDWLZNGKYCGRI-GFCCVEGCSA-N 1 3 251.374 1.726 20 30 CDEDHO C[NH+]=C(NCc1ccn(C)c1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158524250 261166676 /nfs/dbraw/zinc/16/66/76/261166676.db2.gz JVKKOFZEOPOVKF-HIFRSBDPSA-N 1 3 291.443 1.419 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185774173 329331580 /nfs/dbraw/zinc/33/15/80/329331580.db2.gz DSIWWDXYDAXGTQ-GDBMZVCRSA-N 1 3 278.444 1.684 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCS1 ZINC000262163654 330001146 /nfs/dbraw/zinc/00/11/46/330001146.db2.gz BLMLVDMINVTLIV-CHWSQXEVSA-N 1 3 284.473 1.661 20 30 CDEDHO C#CCNC(NCC(C)(C)N1CCC[C@@H](C)C1)=[NH+]CC ZINC000262627853 330023417 /nfs/dbraw/zinc/02/34/17/330023417.db2.gz UDWGRNCBOZRUAD-CQSZACIVSA-N 1 3 278.444 1.685 20 30 CDEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN1CC1CCCCC1 ZINC000262661826 330025063 /nfs/dbraw/zinc/02/50/63/330025063.db2.gz NCRYTMOPDHUNAQ-HNNXBMFYSA-N 1 3 278.444 1.922 20 30 CDEDHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424170533 330310859 /nfs/dbraw/zinc/31/08/59/330310859.db2.gz BHLKGXQFSXPNNQ-JSGCOSHPSA-N 1 3 280.416 1.196 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000490590333 332093855 /nfs/dbraw/zinc/09/38/55/332093855.db2.gz QSROJDROBFIOKB-CVEARBPZSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000490590333 332093856 /nfs/dbraw/zinc/09/38/56/332093856.db2.gz QSROJDROBFIOKB-CVEARBPZSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN(C)CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000491210607 332167116 /nfs/dbraw/zinc/16/71/16/332167116.db2.gz WNNCYCMOOPSPOQ-UHFFFAOYSA-N 1 3 265.445 1.794 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001725271515 1181947499 /nfs/dbraw/zinc/94/74/99/1181947499.db2.gz QGDLUALIIXKESQ-DZGCQCFKSA-N 1 3 281.444 1.585 20 30 CDEDHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001755288332 1185890380 /nfs/dbraw/zinc/89/03/80/1185890380.db2.gz TZEXYCADSPXTGD-UHFFFAOYSA-N 1 3 281.444 1.424 20 30 CDEDHO C#CCC[N@@H+](C)CCN(C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001755812477 1186076561 /nfs/dbraw/zinc/07/65/61/1186076561.db2.gz QYOZRNNLAORFKT-OAHLLOKOSA-N 1 3 281.444 1.519 20 30 CDEDHO C#CCC[N@H+](C)CCN(C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001755812477 1186076565 /nfs/dbraw/zinc/07/65/65/1186076565.db2.gz QYOZRNNLAORFKT-OAHLLOKOSA-N 1 3 281.444 1.519 20 30 CDEDHO C#CCCN1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000773117488 575784366 /nfs/dbraw/zinc/78/43/66/575784366.db2.gz RFENPJJVQHJYIT-AWEZNQCLSA-N 1 3 293.455 1.757 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC000961768617 613344440 /nfs/dbraw/zinc/34/44/40/613344440.db2.gz COGZCMNLAUEZGT-NYTXWWLZSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC000961768617 613344441 /nfs/dbraw/zinc/34/44/41/613344441.db2.gz COGZCMNLAUEZGT-NYTXWWLZSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891520136 617458204 /nfs/dbraw/zinc/45/82/04/617458204.db2.gz DTQFHNDYOLNYHG-GASCZTMLSA-N 1 3 292.427 1.173 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891522174 617459075 /nfs/dbraw/zinc/45/90/75/617459075.db2.gz NTWMFSIDSILKNO-GJZGRUSLSA-N 1 3 292.427 1.173 20 30 CDEDHO CC#CC[C@H](CO)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000895096182 619285736 /nfs/dbraw/zinc/28/57/36/619285736.db2.gz MRLBRVRXKBISCS-CQSZACIVSA-N 1 3 252.402 1.613 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900597810 623275552 /nfs/dbraw/zinc/27/55/52/623275552.db2.gz AEARQTCZVTWJQP-CVEARBPZSA-N 1 3 291.439 1.770 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900597810 623275572 /nfs/dbraw/zinc/27/55/72/623275572.db2.gz AEARQTCZVTWJQP-CVEARBPZSA-N 1 3 291.439 1.770 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996245339 693884544 /nfs/dbraw/zinc/88/45/44/693884544.db2.gz IHQSAVHXAIVPAL-HUUCEWRRSA-N 1 3 295.471 1.975 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995928415 694071138 /nfs/dbraw/zinc/07/11/38/694071138.db2.gz TZAOCXLUOMFECY-KGLIPLIRSA-N 1 3 279.428 1.032 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001074877970 694348185 /nfs/dbraw/zinc/34/81/85/694348185.db2.gz UJUWNTSUERTOFK-KKUMJFAQSA-N 1 3 279.428 1.626 20 30 CDEDHO CC(C)CCNC(=[NH2+])NCCN1CCCCCC1 ZINC000303891340 694436346 /nfs/dbraw/zinc/43/63/46/694436346.db2.gz NARCNSXITCXSKD-UHFFFAOYSA-N 1 3 254.422 1.813 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996245346 694480011 /nfs/dbraw/zinc/48/00/11/694480011.db2.gz IHQSAVHXAIVPAL-LSDHHAIUSA-N 1 3 295.471 1.975 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999408558 692243017 /nfs/dbraw/zinc/24/30/17/692243017.db2.gz LHSRXOOXPBQHAV-WLYUNCDWSA-N 1 3 279.428 1.483 20 30 CDEDHO CC[N@@H+]1CC[C@@H](NCCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166102 692277101 /nfs/dbraw/zinc/27/71/01/692277101.db2.gz UBGBRNDVBAQTJX-UKRRQHHQSA-N 1 3 287.411 1.685 20 30 CDEDHO CC[N@H+]1CC[C@@H](NCCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000927166102 692277106 /nfs/dbraw/zinc/27/71/06/692277106.db2.gz UBGBRNDVBAQTJX-UKRRQHHQSA-N 1 3 287.411 1.685 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020170923 692893664 /nfs/dbraw/zinc/89/36/64/692893664.db2.gz DFQBGZZDBFTMAD-FDYHWXHSSA-N 1 3 285.819 1.316 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020170923 692893667 /nfs/dbraw/zinc/89/36/67/692893667.db2.gz DFQBGZZDBFTMAD-FDYHWXHSSA-N 1 3 285.819 1.316 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001045440478 693268521 /nfs/dbraw/zinc/26/85/21/693268521.db2.gz MOWOIGJPXVUFPV-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045440478 693268531 /nfs/dbraw/zinc/26/85/31/693268531.db2.gz MOWOIGJPXVUFPV-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024762356 694692700 /nfs/dbraw/zinc/69/27/00/694692700.db2.gz QJOCUYPFLTWOBB-OAHLLOKOSA-N 1 3 289.423 1.076 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014628587 694804127 /nfs/dbraw/zinc/80/41/27/694804127.db2.gz JFANWBKXHQGPIF-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014628587 694804128 /nfs/dbraw/zinc/80/41/28/694804128.db2.gz JFANWBKXHQGPIF-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035667906 694611221 /nfs/dbraw/zinc/61/12/21/694611221.db2.gz AWLFMSZQFGCNQG-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036225471 694769039 /nfs/dbraw/zinc/76/90/39/694769039.db2.gz OTXMFPDKEHCRLF-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC000987257384 694867247 /nfs/dbraw/zinc/86/72/47/694867247.db2.gz WJOCXYNIXMNBAM-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347758 1163649865 /nfs/dbraw/zinc/64/98/65/1163649865.db2.gz ZHJHCCYTALROPI-GJZGRUSLSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001755267500 1185883945 /nfs/dbraw/zinc/88/39/45/1185883945.db2.gz BLOJJVRLXPVWEU-KBPBESRZSA-N 1 3 269.433 1.776 20 30 CDEDHO C=CC[NH2+][C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001755348895 1185925514 /nfs/dbraw/zinc/92/55/14/1185925514.db2.gz KULMVMVMSRAPPE-JKSUJKDBSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127556 723273449 /nfs/dbraw/zinc/27/34/49/723273449.db2.gz VUMKJSYITYLGHV-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001033127556 723273458 /nfs/dbraw/zinc/27/34/58/723273458.db2.gz VUMKJSYITYLGHV-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001036054217 723375967 /nfs/dbraw/zinc/37/59/67/723375967.db2.gz JXPIUDPCEQJUAK-HIFRSBDPSA-N 1 3 279.428 1.483 20 30 CDEDHO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000923383894 723537201 /nfs/dbraw/zinc/53/72/01/723537201.db2.gz NXQCUQFTNGHENY-RBSFLKMASA-N 1 3 259.353 1.451 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449529 723665411 /nfs/dbraw/zinc/66/54/11/723665411.db2.gz IPDVYJKDCYNVJA-KGLIPLIRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001574902540 1167642355 /nfs/dbraw/zinc/64/23/55/1167642355.db2.gz CBQJKROCPMIZAT-ZFWWWQNUSA-N 1 3 265.401 1.271 20 30 CDEDHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001272566063 913455338 /nfs/dbraw/zinc/45/53/38/913455338.db2.gz QYVPJHHPEHBOAI-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175314781 913536405 /nfs/dbraw/zinc/53/64/05/913536405.db2.gz BOKQWAXSHZDKEW-CABCVRRESA-N 1 3 281.444 1.615 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760077 914262284 /nfs/dbraw/zinc/26/22/84/914262284.db2.gz PQDLNXVQBXCYCN-CVEARBPZSA-N 1 3 293.455 1.759 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784929 914300959 /nfs/dbraw/zinc/30/09/59/914300959.db2.gz OLRZAFINYXHDRK-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001026560697 899985767 /nfs/dbraw/zinc/98/57/67/899985767.db2.gz BUSDFTSAADBYEX-NFOMZHRRSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400821 921475684 /nfs/dbraw/zinc/47/56/84/921475684.db2.gz OLWJLKQTVDFMTR-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400821 921475688 /nfs/dbraw/zinc/47/56/88/921475688.db2.gz OLWJLKQTVDFMTR-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273495205 919357366 /nfs/dbraw/zinc/35/73/66/919357366.db2.gz QIFNHWHSLCSLIK-KRWDZBQOSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273495205 919357382 /nfs/dbraw/zinc/35/73/82/919357382.db2.gz QIFNHWHSLCSLIK-KRWDZBQOSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186412883 920021599 /nfs/dbraw/zinc/02/15/99/920021599.db2.gz WMLFMROEAKRVJY-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283493 924160663 /nfs/dbraw/zinc/16/06/63/924160663.db2.gz CFPWTAWHLAMLDD-CQSZACIVSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283493 924160669 /nfs/dbraw/zinc/16/06/69/924160669.db2.gz CFPWTAWHLAMLDD-CQSZACIVSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769493 936933897 /nfs/dbraw/zinc/93/38/97/936933897.db2.gz MIRISIUIYRVWIM-UHFFFAOYSA-N 1 3 267.417 1.389 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC001085217621 925810254 /nfs/dbraw/zinc/81/02/54/925810254.db2.gz JSKUICNBDCNTIX-OAGGEKHMSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525735 937063013 /nfs/dbraw/zinc/06/30/13/937063013.db2.gz SDRTYXOOIFTMGS-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525735 937063016 /nfs/dbraw/zinc/06/30/16/937063016.db2.gz SDRTYXOOIFTMGS-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123254 937506299 /nfs/dbraw/zinc/50/62/99/937506299.db2.gz RAQJHZQUGKODQD-CVEARBPZSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123254 937506300 /nfs/dbraw/zinc/50/63/00/937506300.db2.gz RAQJHZQUGKODQD-CVEARBPZSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148292529 932691552 /nfs/dbraw/zinc/69/15/52/932691552.db2.gz JQHRCHBDCWLPAI-UHFFFAOYSA-N 1 3 293.455 1.685 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148292529 932691555 /nfs/dbraw/zinc/69/15/55/932691555.db2.gz JQHRCHBDCWLPAI-UHFFFAOYSA-N 1 3 293.455 1.685 20 30 CDEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000924753306 932819290 /nfs/dbraw/zinc/81/92/90/932819290.db2.gz CWPIOHYYISPUMA-QWHCGFSZSA-N 1 3 253.390 1.361 20 30 CDEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091782774 932884648 /nfs/dbraw/zinc/88/46/48/932884648.db2.gz FGUYUZSORLXJOQ-INMHGKMJSA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091782774 932884652 /nfs/dbraw/zinc/88/46/52/932884652.db2.gz FGUYUZSORLXJOQ-INMHGKMJSA-N 1 3 291.439 1.130 20 30 CDEDHO CC(C)[N@H+](C)CCCNC[C@@H](O)CC(C)(C)C#N ZINC001120569557 937811510 /nfs/dbraw/zinc/81/15/10/937811510.db2.gz BMSUGGJDEGDXNX-ZDUSSCGKSA-N 1 3 255.406 1.607 20 30 CDEDHO CC(C)[N@@H+](C)CCCNC[C@@H](O)CC(C)(C)C#N ZINC001120569557 937811512 /nfs/dbraw/zinc/81/15/12/937811512.db2.gz BMSUGGJDEGDXNX-ZDUSSCGKSA-N 1 3 255.406 1.607 20 30 CDEDHO C=C[C@H](O)C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001253585271 935269003 /nfs/dbraw/zinc/26/90/03/935269003.db2.gz WPYMYOKQUCPAQZ-AWEZNQCLSA-N 1 3 256.365 1.432 20 30 CDEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041684216 935802351 /nfs/dbraw/zinc/80/23/51/935802351.db2.gz BUIBCSHDUAABLL-DOTOQJQBSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041684216 935802354 /nfs/dbraw/zinc/80/23/54/935802354.db2.gz BUIBCSHDUAABLL-DOTOQJQBSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962706 935846100 /nfs/dbraw/zinc/84/61/00/935846100.db2.gz ATMWTZNLDIQNKX-PMPSAXMXSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001121957260 937894245 /nfs/dbraw/zinc/89/42/45/937894245.db2.gz RBYFWGZYWSMPJW-ILXRZTDVSA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001121957260 937894247 /nfs/dbraw/zinc/89/42/47/937894247.db2.gz RBYFWGZYWSMPJW-ILXRZTDVSA-N 1 3 279.428 1.613 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628781 938742517 /nfs/dbraw/zinc/74/25/17/938742517.db2.gz PWMMXYSHSPHSSC-INIZCTEOSA-N 1 3 289.423 1.242 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628781 938742520 /nfs/dbraw/zinc/74/25/20/938742520.db2.gz PWMMXYSHSPHSSC-INIZCTEOSA-N 1 3 289.423 1.242 20 30 CDEDHO C=C(C)CN(CC)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160687840 938814626 /nfs/dbraw/zinc/81/46/26/938814626.db2.gz JHOJAWQQXDVOSY-ZDUSSCGKSA-N 1 3 265.401 1.285 20 30 CDEDHO C=C(C)CN(CC)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160687840 938814627 /nfs/dbraw/zinc/81/46/27/938814627.db2.gz JHOJAWQQXDVOSY-ZDUSSCGKSA-N 1 3 265.401 1.285 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(OC)c(C#N)cn1 ZINC001163123242 939205291 /nfs/dbraw/zinc/20/52/91/939205291.db2.gz ZUKHSBUUFGHZOZ-UHFFFAOYSA-N 1 3 290.371 1.240 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203520001 939691024 /nfs/dbraw/zinc/69/10/24/939691024.db2.gz CJEUBHFYADEVNX-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCN(CCN1CCC(C[NH+](C)C)CC1)C(=O)OCC ZINC001209022270 940425034 /nfs/dbraw/zinc/42/50/34/940425034.db2.gz TYHWVABNGUDBRF-UHFFFAOYSA-N 1 3 297.443 1.905 20 30 CDEDHO C=CCCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213764750 940785452 /nfs/dbraw/zinc/78/54/52/940785452.db2.gz ASVLPTPFDYNYNY-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213764750 940785454 /nfs/dbraw/zinc/78/54/54/940785454.db2.gz ASVLPTPFDYNYNY-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220868394 941478975 /nfs/dbraw/zinc/47/89/75/941478975.db2.gz IBXBZVJWUSLWHO-QWHCGFSZSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472368 941679930 /nfs/dbraw/zinc/67/99/30/941679930.db2.gz PCRAWAYLAIUULH-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCCC#N)C2 ZINC001277945076 944154251 /nfs/dbraw/zinc/15/42/51/944154251.db2.gz LJSSFDJBSFYYSB-MRXNPFEDSA-N 1 3 278.444 1.640 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCCC#N)C2 ZINC001277945076 944154255 /nfs/dbraw/zinc/15/42/55/944154255.db2.gz LJSSFDJBSFYYSB-MRXNPFEDSA-N 1 3 278.444 1.640 20 30 CDEDHO N#C[C@H]1CC[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647405 947569929 /nfs/dbraw/zinc/56/99/29/947569929.db2.gz CKBXQYFPMKWHPD-XDQVBPFNSA-N 1 3 263.385 1.649 20 30 CDEDHO N#Cc1ccc(F)c(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247829835 948804289 /nfs/dbraw/zinc/80/42/89/948804289.db2.gz JYFJUONFVCVRKM-LLVKDONJSA-N 1 3 299.309 1.024 20 30 CDEDHO C=C[C@H](COC)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329941207 956189734 /nfs/dbraw/zinc/18/97/34/956189734.db2.gz NTSVEQPWNYNWMM-OCCSQVGLSA-N 1 3 254.374 1.030 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001341715291 963520576 /nfs/dbraw/zinc/52/05/76/963520576.db2.gz TYLYFNHZNOGFSM-GJZGRUSLSA-N 1 3 279.428 1.614 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001341777906 963539147 /nfs/dbraw/zinc/53/91/47/963539147.db2.gz NHPAODGEVWOILQ-PMPSAXMXSA-N 1 3 293.455 1.908 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100457125 968409101 /nfs/dbraw/zinc/40/91/01/968409101.db2.gz PYUDXHKIKKTKKV-UHFFFAOYSA-N 1 3 279.428 1.224 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132931485 1163511428 /nfs/dbraw/zinc/51/14/28/1163511428.db2.gz AFXNMKXGAKUVTP-LSDHHAIUSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347760 1163649899 /nfs/dbraw/zinc/64/98/99/1163649899.db2.gz ZHJHCCYTALROPI-LSDHHAIUSA-N 1 3 279.428 1.034 20 30 CDEDHO N#Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596649728 343370923 /nfs/dbraw/zinc/37/09/23/343370923.db2.gz GIEOPUGNEPLTIH-FGTMMUONSA-N 1 3 299.418 1.847 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000602508284 344457968 /nfs/dbraw/zinc/45/79/68/344457968.db2.gz LWIONNDEDBNHRX-AWEZNQCLSA-N 1 3 266.433 1.542 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602548993 344463926 /nfs/dbraw/zinc/46/39/26/344463926.db2.gz QAUFVBNAZNDORN-LSDHHAIUSA-N 1 3 278.444 1.684 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccco1 ZINC000066244980 348977328 /nfs/dbraw/zinc/97/73/28/348977328.db2.gz OKOZMEIQEWEPRE-LLVKDONJSA-N 1 3 250.346 1.168 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264070289 362958483 /nfs/dbraw/zinc/95/84/83/362958483.db2.gz DBDUFTLGLZNJLJ-UHFFFAOYSA-N 1 3 294.399 1.390 20 30 CDEDHO CCNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264093866 362965514 /nfs/dbraw/zinc/96/55/14/362965514.db2.gz LZQCXUJFYONDMN-GFCCVEGCSA-N 1 3 280.441 1.884 20 30 CDEDHO CCCN(C)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000355468454 366102541 /nfs/dbraw/zinc/10/25/41/366102541.db2.gz DZSQPJXADDILNF-UHFFFAOYSA-N 1 3 268.405 1.022 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000358816108 367906803 /nfs/dbraw/zinc/90/68/03/367906803.db2.gz RLJUWNAZPGOOPB-ZDUSSCGKSA-N 1 3 282.432 1.276 20 30 CDEDHO C=CCCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000276439079 193331778 /nfs/dbraw/zinc/33/17/78/193331778.db2.gz OLOHCPMIIWOVHC-MRXNPFEDSA-N 1 3 289.423 1.913 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000417518814 377821227 /nfs/dbraw/zinc/82/12/27/377821227.db2.gz DDSOBQOCBNBQSU-AWEZNQCLSA-N 1 3 294.443 1.326 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1ccccn1 ZINC000269371611 391248284 /nfs/dbraw/zinc/24/82/84/391248284.db2.gz MIDIFZYZOFDFLZ-HNNXBMFYSA-N 1 3 289.427 1.403 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@@H]2CCCN(Cc3cccs3)C2)N1 ZINC000262685703 391812885 /nfs/dbraw/zinc/81/28/85/391812885.db2.gz YIFJCTGQSHYDLM-STQMWFEESA-N 1 3 292.452 1.897 20 30 CDEDHO CC(C)([NH3+])CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423286671 392960941 /nfs/dbraw/zinc/96/09/41/392960941.db2.gz ICGYJYACVRCAAJ-UHFFFAOYSA-N 1 3 272.396 1.854 20 30 CDEDHO C[NH+]1CCC(N2CCC(NC(=O)CCCC#N)CC2)CC1 ZINC000330908881 264075688 /nfs/dbraw/zinc/07/56/88/264075688.db2.gz XHELHGCXUWHVRW-UHFFFAOYSA-N 1 3 292.427 1.355 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417536970 264427684 /nfs/dbraw/zinc/42/76/84/264427684.db2.gz YYJQQSFHBMEXCM-UONOGXRCSA-N 1 3 294.443 1.263 20 30 CDEDHO C=CC[C@]1(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662679967 424300387 /nfs/dbraw/zinc/30/03/87/424300387.db2.gz QNYHMOZUAQQWHR-ZMSDIMECSA-N 1 3 293.455 1.921 20 30 CDEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCCC#N)C1 ZINC000350366293 528146080 /nfs/dbraw/zinc/14/60/80/528146080.db2.gz MATHRHKTAVJOAL-CQSZACIVSA-N 1 3 253.390 1.723 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449348014 327166131 /nfs/dbraw/zinc/16/61/31/327166131.db2.gz SPVYDIHGFYCOOP-DZGCQCFKSA-N 1 3 279.428 1.661 20 30 CDEDHO CN(C)C1(CNC(=[NH2+])Nc2ccccn2)CCCC1 ZINC000262254440 330002925 /nfs/dbraw/zinc/00/29/25/330002925.db2.gz IXIYTPBYJLJISZ-UHFFFAOYSA-N 1 3 261.373 1.683 20 30 CDEDHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424142994 330286674 /nfs/dbraw/zinc/28/66/74/330286674.db2.gz JFTPRDQOJSAFAS-ZIAGYGMSSA-N 1 3 280.416 1.198 20 30 CDEDHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424142994 330286675 /nfs/dbraw/zinc/28/66/75/330286675.db2.gz JFTPRDQOJSAFAS-ZIAGYGMSSA-N 1 3 280.416 1.198 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424144886 330290071 /nfs/dbraw/zinc/29/00/71/330290071.db2.gz MLKFKSXUOIWHBE-HUUCEWRRSA-N 1 3 292.427 1.342 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424161707 330307284 /nfs/dbraw/zinc/30/72/84/330307284.db2.gz VYOCOGAFSWATLJ-OAHLLOKOSA-N 1 3 292.427 1.484 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000424161707 330307285 /nfs/dbraw/zinc/30/72/85/330307285.db2.gz VYOCOGAFSWATLJ-OAHLLOKOSA-N 1 3 292.427 1.484 20 30 CDEDHO C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001753726263 1185318854 /nfs/dbraw/zinc/31/88/54/1185318854.db2.gz IIEFDDXMDDHXOL-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C[NH+]1CCC(NCCOc2ccc(C#N)cc2)CC1 ZINC000156164150 523775806 /nfs/dbraw/zinc/77/58/06/523775806.db2.gz YBWLARGMPDYHPK-UHFFFAOYSA-N 1 3 259.353 1.621 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001690045217 1175355108 /nfs/dbraw/zinc/35/51/08/1175355108.db2.gz NEWYWGDHOUMETH-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947614978 613222220 /nfs/dbraw/zinc/22/22/20/613222220.db2.gz BWZLXSQPPZXHIQ-LSDHHAIUSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555460 613256456 /nfs/dbraw/zinc/25/64/56/613256456.db2.gz KMIFEOKCUBLWSA-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406702 613288762 /nfs/dbraw/zinc/28/87/62/613288762.db2.gz RESAUXXMRGTTER-AWEZNQCLSA-N 1 3 265.401 1.191 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406702 613288763 /nfs/dbraw/zinc/28/87/63/613288763.db2.gz RESAUXXMRGTTER-AWEZNQCLSA-N 1 3 265.401 1.191 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972335089 613612389 /nfs/dbraw/zinc/61/23/89/613612389.db2.gz MTOOOIRTVMDXCH-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972335089 613612392 /nfs/dbraw/zinc/61/23/92/613612392.db2.gz MTOOOIRTVMDXCH-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971678502 613615195 /nfs/dbraw/zinc/61/51/95/613615195.db2.gz NAIJJWBPYIGSKO-ZIAGYGMSSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971678502 613615196 /nfs/dbraw/zinc/61/51/96/613615196.db2.gz NAIJJWBPYIGSKO-ZIAGYGMSSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862300 613626446 /nfs/dbraw/zinc/62/64/46/613626446.db2.gz YKMHSAFCYUABPP-AWEZNQCLSA-N 1 3 277.412 1.334 20 30 CDEDHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000925608008 617550001 /nfs/dbraw/zinc/55/00/01/617550001.db2.gz DXTYJLOECNWXJT-CZUORRHYSA-N 1 3 299.422 1.652 20 30 CDEDHO CCN1CCN(CCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000893328433 617580997 /nfs/dbraw/zinc/58/09/97/617580997.db2.gz XYBYMJWVRRIBRY-UHFFFAOYSA-N 1 3 285.435 1.655 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)CC1 ZINC000910287019 628962696 /nfs/dbraw/zinc/96/26/96/628962696.db2.gz JLLJUAWQFKDLOC-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CC)C[C@H]2C)CC1 ZINC000910287019 628962698 /nfs/dbraw/zinc/96/26/98/628962698.db2.gz JLLJUAWQFKDLOC-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO CCn1ccnc1C(C#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001649246317 1158987183 /nfs/dbraw/zinc/98/71/83/1158987183.db2.gz BAMKBKNDRVYHAH-AWEZNQCLSA-N 1 3 286.379 1.954 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001000194496 695239814 /nfs/dbraw/zinc/23/98/14/695239814.db2.gz VUQFNAIJVCSMGF-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139788 695443269 /nfs/dbraw/zinc/44/32/69/695443269.db2.gz SRNTXFWEVZDQMZ-ZVDSWSACSA-N 1 3 291.439 1.339 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995895943 695497998 /nfs/dbraw/zinc/49/79/98/695497998.db2.gz NEDZJEJIPQCBTR-ZIAGYGMSSA-N 1 3 279.428 1.339 20 30 CDEDHO C#CCN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000886208919 695840498 /nfs/dbraw/zinc/84/04/98/695840498.db2.gz ADRUMHDXTNULGQ-OWCLPIDISA-N 1 3 261.413 1.300 20 30 CDEDHO C#CCN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000886208919 695840499 /nfs/dbraw/zinc/84/04/99/695840499.db2.gz ADRUMHDXTNULGQ-OWCLPIDISA-N 1 3 261.413 1.300 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044796346 695859803 /nfs/dbraw/zinc/85/98/03/695859803.db2.gz JSEPUOGYZFMSQY-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001037936185 695866528 /nfs/dbraw/zinc/86/65/28/695866528.db2.gz UMQCEBXAIFPITJ-ZFWWWQNUSA-N 1 3 290.411 1.745 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596507 695881133 /nfs/dbraw/zinc/88/11/33/695881133.db2.gz CDICVVOGGYRHTL-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015596507 695881135 /nfs/dbraw/zinc/88/11/35/695881135.db2.gz CDICVVOGGYRHTL-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989826703 696167266 /nfs/dbraw/zinc/16/72/66/696167266.db2.gz RUOREFISENCXJG-YOEHRIQHSA-N 1 3 299.418 1.574 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996299940 696176918 /nfs/dbraw/zinc/17/69/18/696176918.db2.gz HDCKINABNVCWGE-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133183374 1163598824 /nfs/dbraw/zinc/59/88/24/1163598824.db2.gz ZMACWHLFPOZVKW-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274440 1163622626 /nfs/dbraw/zinc/62/26/26/1163622626.db2.gz IDXHETBSKKVWHU-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275606 1163622908 /nfs/dbraw/zinc/62/29/08/1163622908.db2.gz VEQJYTBOGGALHJ-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773144 1164104580 /nfs/dbraw/zinc/10/45/80/1164104580.db2.gz LYEIGGVYNGTKNA-ZIAGYGMSSA-N 1 3 281.444 1.613 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114410713 1164899833 /nfs/dbraw/zinc/89/98/33/1164899833.db2.gz ZCBVVXZPVDDAEY-FXUDXRNXSA-N 1 3 291.439 1.339 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114410713 1164899839 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C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001753074261 1185039881 /nfs/dbraw/zinc/03/98/81/1185039881.db2.gz FLEHHXDVESKYPB-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001753852894 1185362311 /nfs/dbraw/zinc/36/23/11/1185362311.db2.gz DNNQGIFHHQHOQM-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753852894 1185362306 /nfs/dbraw/zinc/36/23/06/1185362306.db2.gz DNNQGIFHHQHOQM-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001755573591 1185994306 /nfs/dbraw/zinc/99/43/06/1185994306.db2.gz USSFZAUDPYYTLY-HZPDHXFCSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985646952 723761827 /nfs/dbraw/zinc/76/18/27/723761827.db2.gz MJJGUTUBZLJUCV-CQSZACIVSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985646952 723761830 /nfs/dbraw/zinc/76/18/30/723761830.db2.gz MJJGUTUBZLJUCV-CQSZACIVSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000129140764 724108950 /nfs/dbraw/zinc/10/89/50/724108950.db2.gz BPJAMWHVQZMSSZ-CYBMUJFWSA-N 1 3 250.390 1.179 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365887 724788919 /nfs/dbraw/zinc/78/89/19/724788919.db2.gz KZHQNAZJMDBSQQ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365887 724788924 /nfs/dbraw/zinc/78/89/24/724788924.db2.gz KZHQNAZJMDBSQQ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816829 723902380 /nfs/dbraw/zinc/90/23/80/723902380.db2.gz BJDJEOHUZWOPHS-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816829 723902384 /nfs/dbraw/zinc/90/23/84/723902384.db2.gz BJDJEOHUZWOPHS-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001021088585 725185424 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C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000933355006 725411904 /nfs/dbraw/zinc/41/19/04/725411904.db2.gz MPVKYSXPVPQWOK-INIZCTEOSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2CC)CC1(C)C ZINC000996674747 725472894 /nfs/dbraw/zinc/47/28/94/725472894.db2.gz WFHBSUVSKWMTDL-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723396 725494904 /nfs/dbraw/zinc/49/49/04/725494904.db2.gz OWLCEAHNBOZNDS-HOTGVXAUSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723396 725494908 /nfs/dbraw/zinc/49/49/08/725494908.db2.gz OWLCEAHNBOZNDS-HOTGVXAUSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029004066 725933279 /nfs/dbraw/zinc/93/32/79/725933279.db2.gz SPBGPLHBCRXUIK-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029004066 725933283 /nfs/dbraw/zinc/93/32/83/725933283.db2.gz SPBGPLHBCRXUIK-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001054742272 725972496 /nfs/dbraw/zinc/97/24/96/725972496.db2.gz YUCMIDXDXOCGJO-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175265487 913516783 /nfs/dbraw/zinc/51/67/83/913516783.db2.gz YKTZGHITWYDNGA-HOTGVXAUSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176279320 914014437 /nfs/dbraw/zinc/01/44/37/914014437.db2.gz LVECAIJQLLGPEH-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531127 901010934 /nfs/dbraw/zinc/01/09/34/901010934.db2.gz GYJOWOAUURVULY-ZOBUZTSGSA-N 1 3 293.455 1.731 20 30 CDEDHO C[C@@]1(C[NH3+])CCCN(Cc2cncc(C#N)c2)CC1 ZINC001206318966 915276438 /nfs/dbraw/zinc/27/64/38/915276438.db2.gz WGTYONHROSJQCY-OAHLLOKOSA-N 1 3 258.369 1.904 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087797202 905855298 /nfs/dbraw/zinc/85/52/98/905855298.db2.gz CLBGSOVKKSCMLF-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087797202 905855305 /nfs/dbraw/zinc/85/53/05/905855305.db2.gz CLBGSOVKKSCMLF-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088105783 906321358 /nfs/dbraw/zinc/32/13/58/906321358.db2.gz CPEXAYUTQONBCO-XHSDSOJGSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088105783 906321375 /nfs/dbraw/zinc/32/13/75/906321375.db2.gz CPEXAYUTQONBCO-XHSDSOJGSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171501994 910805428 /nfs/dbraw/zinc/80/54/28/910805428.db2.gz ZNAQASKTZVSQRB-ZIAGYGMSSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181983823 917524023 /nfs/dbraw/zinc/52/40/23/917524023.db2.gz SOEQRLORDXRYQK-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181983823 917524035 /nfs/dbraw/zinc/52/40/35/917524035.db2.gz SOEQRLORDXRYQK-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185357702 919544578 /nfs/dbraw/zinc/54/45/78/919544578.db2.gz DSOZMXFVTNMPMR-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185660129 919698604 /nfs/dbraw/zinc/69/86/04/919698604.db2.gz YOVCHAGAMKDOQF-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190774883 922188939 /nfs/dbraw/zinc/18/89/39/922188939.db2.gz AEJBVXANUJCVKQ-GJZGRUSLSA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190774883 922188949 /nfs/dbraw/zinc/18/89/49/922188949.db2.gz AEJBVXANUJCVKQ-GJZGRUSLSA-N 1 3 279.428 1.129 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190768 922939015 /nfs/dbraw/zinc/93/90/15/922939015.db2.gz RYNBINPTBQHSGN-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192190768 922939019 /nfs/dbraw/zinc/93/90/19/922939019.db2.gz RYNBINPTBQHSGN-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354494 923030221 /nfs/dbraw/zinc/03/02/21/923030221.db2.gz LZBTYFLZSAHBAK-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354494 923030228 /nfs/dbraw/zinc/03/02/28/923030228.db2.gz LZBTYFLZSAHBAK-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226368 924124606 /nfs/dbraw/zinc/12/46/06/924124606.db2.gz AVWXFBOPANWAFS-HNNXBMFYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001080329561 924535777 /nfs/dbraw/zinc/53/57/77/924535777.db2.gz DTWLNPRHNHJQRF-FXUDXRNXSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080329561 924535785 /nfs/dbraw/zinc/53/57/85/924535785.db2.gz DTWLNPRHNHJQRF-FXUDXRNXSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046142 937038646 /nfs/dbraw/zinc/03/86/46/937038646.db2.gz ORVFCJJJTUZUOX-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046142 937038649 /nfs/dbraw/zinc/03/86/49/937038649.db2.gz ORVFCJJJTUZUOX-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046157 937038741 /nfs/dbraw/zinc/03/87/41/937038741.db2.gz PMJKWFAECLFIDY-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046157 937038742 /nfs/dbraw/zinc/03/87/42/937038742.db2.gz PMJKWFAECLFIDY-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597833 926199051 /nfs/dbraw/zinc/19/90/51/926199051.db2.gz GYKIGEWKLDXZBQ-HOTGVXAUSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086084770 926677885 /nfs/dbraw/zinc/67/78/85/926677885.db2.gz FXBUIVHSQPMDFH-QLFBSQMISA-N 1 3 279.428 1.530 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031471 930610222 /nfs/dbraw/zinc/61/02/22/930610222.db2.gz LPDXVSRHDMRHNP-MNOVXSKESA-N 1 3 264.373 1.320 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000890078327 931405451 /nfs/dbraw/zinc/40/54/51/931405451.db2.gz AOTYFRGTTKVMEG-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000890078327 931405453 /nfs/dbraw/zinc/40/54/53/931405453.db2.gz AOTYFRGTTKVMEG-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001157108763 938455016 /nfs/dbraw/zinc/45/50/16/938455016.db2.gz DHIAGIXPVQHZBV-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001157108763 938455018 /nfs/dbraw/zinc/45/50/18/938455018.db2.gz DHIAGIXPVQHZBV-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158473940 938628641 /nfs/dbraw/zinc/62/86/41/938628641.db2.gz QUFLMINQVPCJEW-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001158473940 938628643 /nfs/dbraw/zinc/62/86/43/938628643.db2.gz QUFLMINQVPCJEW-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687731 939626867 /nfs/dbraw/zinc/62/68/67/939626867.db2.gz YEWHPZKJLRVMJH-MRXNPFEDSA-N 1 3 299.434 1.871 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205492645 939893774 /nfs/dbraw/zinc/89/37/74/939893774.db2.gz GASUUPJQZVBTNY-INIZCTEOSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275618 940009796 /nfs/dbraw/zinc/00/97/96/940009796.db2.gz XBILOKSMEJGGOK-OAHLLOKOSA-N 1 3 293.455 1.733 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210812278 940715113 /nfs/dbraw/zinc/71/51/13/940715113.db2.gz WAZKKMOPNUZILY-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215569160 940893771 /nfs/dbraw/zinc/89/37/71/940893771.db2.gz WGCLUDCJDAFUOV-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218871289 941282232 /nfs/dbraw/zinc/28/22/32/941282232.db2.gz KJULHNVFSPTGHK-DXCKQFNASA-N 1 3 298.390 1.451 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](C#N)c1ccccc1 ZINC001219558879 941355245 /nfs/dbraw/zinc/35/52/45/941355245.db2.gz YUJMNWHZSCFRBA-GJZGRUSLSA-N 1 3 288.395 1.427 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226799514 942073214 /nfs/dbraw/zinc/07/32/14/942073214.db2.gz BEJUQGCOVKQJDK-OAGGEKHMSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800613 942073825 /nfs/dbraw/zinc/07/38/25/942073825.db2.gz MVRCVMZZRRUFGQ-OAGGEKHMSA-N 1 3 293.455 1.920 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229933601 942554160 /nfs/dbraw/zinc/55/41/60/942554160.db2.gz RHGXJLMSXXVQKE-ZIAGYGMSSA-N 1 3 288.395 1.301 20 30 CDEDHO CCCCN(CCC#N)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246771197 948432028 /nfs/dbraw/zinc/43/20/28/948432028.db2.gz WKAUPDQDQBQGNR-CYBMUJFWSA-N 1 3 250.390 1.096 20 30 CDEDHO C[NH+](C)CC#CCNC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001336785341 960587321 /nfs/dbraw/zinc/58/73/21/960587321.db2.gz YRYAXRDKYVGHNY-CQSZACIVSA-N 1 3 284.762 1.667 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001343391391 963965819 /nfs/dbraw/zinc/96/58/19/963965819.db2.gz IRYQDRQQPKVPSO-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC001343391391 963965823 /nfs/dbraw/zinc/96/58/23/963965823.db2.gz IRYQDRQQPKVPSO-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001353495982 968020090 /nfs/dbraw/zinc/02/00/90/968020090.db2.gz QOLBWSOXQLSUFD-KBPBESRZSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001353495982 968020096 /nfs/dbraw/zinc/02/00/96/968020096.db2.gz QOLBWSOXQLSUFD-KBPBESRZSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCNC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849006623 969399111 /nfs/dbraw/zinc/39/91/11/969399111.db2.gz UVACSKXPJUVOKF-UHFFFAOYSA-N 1 3 294.443 1.710 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001521434200 970296406 /nfs/dbraw/zinc/29/64/06/970296406.db2.gz XIJCKXQHIVMKAG-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001521434200 970296413 /nfs/dbraw/zinc/29/64/13/970296413.db2.gz XIJCKXQHIVMKAG-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001522325281 970421111 /nfs/dbraw/zinc/42/11/11/970421111.db2.gz CARCAQKSFBBYFD-TZMCWYRMSA-N 1 3 286.379 1.487 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419746 1163686759 /nfs/dbraw/zinc/68/67/59/1163686759.db2.gz WWCFWVGNGANVSB-CYBMUJFWSA-N 1 3 255.406 1.245 20 30 CDEDHO C=CCN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635531154 361776626 /nfs/dbraw/zinc/77/66/26/361776626.db2.gz PARDOQULUFYPLK-UHFFFAOYSA-N 1 3 265.401 1.095 20 30 CDEDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(C#N)cc1 ZINC000596651449 343371432 /nfs/dbraw/zinc/37/14/32/343371432.db2.gz QFACYPZKYDDUQH-VBNZEHGJSA-N 1 3 273.380 1.443 20 30 CDEDHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651449 343371435 /nfs/dbraw/zinc/37/14/35/343371435.db2.gz QFACYPZKYDDUQH-VBNZEHGJSA-N 1 3 273.380 1.443 20 30 CDEDHO C[C@H](CCC#N)C[NH+](CCN(C)C)CCN(C)C ZINC000602655392 344517769 /nfs/dbraw/zinc/51/77/69/344517769.db2.gz GJMOTYKNDNSFRG-CQSZACIVSA-N 1 3 254.422 1.351 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393613 346777008 /nfs/dbraw/zinc/77/70/08/346777008.db2.gz XZRFVENGKYJNPN-QGZVFWFLSA-N 1 3 299.418 1.982 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393590 346777095 /nfs/dbraw/zinc/77/70/95/346777095.db2.gz XZRFVENGKYJNPN-KRWDZBQOSA-N 1 3 299.418 1.982 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000068102897 349050291 /nfs/dbraw/zinc/05/02/91/349050291.db2.gz ICHPKPRLFNDHKD-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448451520 360727245 /nfs/dbraw/zinc/72/72/45/360727245.db2.gz YTUXTVJQHDCVCV-BZPMIXESSA-N 1 3 261.369 1.621 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448451520 360727251 /nfs/dbraw/zinc/72/72/51/360727251.db2.gz YTUXTVJQHDCVCV-BZPMIXESSA-N 1 3 261.369 1.621 20 30 CDEDHO [NH2+]=C(NCCN1CCCCCC1)Nc1ccccn1 ZINC000170913371 365162048 /nfs/dbraw/zinc/16/20/48/365162048.db2.gz VHMXHWYAPMXUIO-UHFFFAOYSA-N 1 3 261.373 1.684 20 30 CDEDHO C[C@H](CCNC1=[NH+]CCN1C)N(C)Cc1ccccc1 ZINC000284926589 377724051 /nfs/dbraw/zinc/72/40/51/377724051.db2.gz CGXAOOKTQIXGRU-CQSZACIVSA-N 1 3 274.412 1.788 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534271 377875601 /nfs/dbraw/zinc/87/56/01/377875601.db2.gz VVZWDBTZFKKDMN-KGLIPLIRSA-N 1 3 294.443 1.454 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(O)c(F)c1 ZINC000267474223 391197107 /nfs/dbraw/zinc/19/71/07/391197107.db2.gz YZNJZESWJJBRAA-GFCCVEGCSA-N 1 3 294.374 1.420 20 30 CDEDHO C=CCC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339658309 391320861 /nfs/dbraw/zinc/32/08/61/391320861.db2.gz RMZRROPSWGKYSC-FCLJQHQZSA-N 1 3 296.455 1.887 20 30 CDEDHO C=CCC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339658309 391320864 /nfs/dbraw/zinc/32/08/64/391320864.db2.gz RMZRROPSWGKYSC-FCLJQHQZSA-N 1 3 296.455 1.887 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000285806911 391721292 /nfs/dbraw/zinc/72/12/92/391721292.db2.gz QYFFMOSQXPQFKJ-UONOGXRCSA-N 1 3 267.417 1.396 20 30 CDEDHO C=CCN1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649323722 392027043 /nfs/dbraw/zinc/02/70/43/392027043.db2.gz UASCNBVELWLEQK-UHFFFAOYSA-N 1 3 253.390 1.271 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](N)C3CC3)CC2)cc1 ZINC000423328915 392962450 /nfs/dbraw/zinc/96/24/50/392962450.db2.gz SRVJKCZSZSVAPH-GOSISDBHSA-N 1 3 298.434 1.850 20 30 CDEDHO N#Cc1ccc(CN2CCC(NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000423328915 392962459 /nfs/dbraw/zinc/96/24/59/392962459.db2.gz SRVJKCZSZSVAPH-GOSISDBHSA-N 1 3 298.434 1.850 20 30 CDEDHO C=CCN1CC[C@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291143 414618053 /nfs/dbraw/zinc/61/80/53/414618053.db2.gz BVCLQKDHNYSYPT-CVEARBPZSA-N 1 3 291.439 1.485 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000347062848 226010935 /nfs/dbraw/zinc/01/09/35/226010935.db2.gz HAPIZPDKJWFHGL-GFCCVEGCSA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000347062848 226010938 /nfs/dbraw/zinc/01/09/38/226010938.db2.gz HAPIZPDKJWFHGL-GFCCVEGCSA-N 1 3 251.374 1.917 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364740252 262260888 /nfs/dbraw/zinc/26/08/88/262260888.db2.gz PYUQEWIGWXOFEB-CVEARBPZSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364740252 262260890 /nfs/dbraw/zinc/26/08/90/262260890.db2.gz PYUQEWIGWXOFEB-CVEARBPZSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000417539804 328496898 /nfs/dbraw/zinc/49/68/98/328496898.db2.gz OYTDEXXENVZPLC-ZDUSSCGKSA-N 1 3 282.432 1.454 20 30 CDEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)C(C)(C)C ZINC000262334095 330006565 /nfs/dbraw/zinc/00/65/65/330006565.db2.gz WIFOWCKEROHBDW-OLZOCXBDSA-N 1 3 264.417 1.423 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262379999 330011733 /nfs/dbraw/zinc/01/17/33/330011733.db2.gz GVPAXLXFLOHIHR-NEPJUHHUSA-N 1 3 288.386 1.810 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000263176768 330047427 /nfs/dbraw/zinc/04/74/27/330047427.db2.gz SUVLUXQHTPOZDZ-MGPQQGTHSA-N 1 3 294.443 1.333 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422979618 330162572 /nfs/dbraw/zinc/16/25/72/330162572.db2.gz NFTJTQNCMRPWHQ-HIFRSBDPSA-N 1 3 251.418 1.744 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417545878 482595217 /nfs/dbraw/zinc/59/52/17/482595217.db2.gz YLJQVIGDXYYNME-DZGCQCFKSA-N 1 3 294.443 1.596 20 30 CDEDHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345037157 529001660 /nfs/dbraw/zinc/00/16/60/529001660.db2.gz PKFCYRBFHBACMA-ZDUSSCGKSA-N 1 3 292.427 1.400 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000764429305 575906463 /nfs/dbraw/zinc/90/64/63/575906463.db2.gz ZENIWNZWXDZZQH-CYBMUJFWSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000764429305 575906466 /nfs/dbraw/zinc/90/64/66/575906466.db2.gz ZENIWNZWXDZZQH-CYBMUJFWSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC000969791534 613485817 /nfs/dbraw/zinc/48/58/17/613485817.db2.gz FPXQNJSJIZBDMA-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944444614 613535765 /nfs/dbraw/zinc/53/57/65/613535765.db2.gz KUQBZJBISDLEMF-JSGCOSHPSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944444614 613535769 /nfs/dbraw/zinc/53/57/69/613535769.db2.gz KUQBZJBISDLEMF-JSGCOSHPSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CCS(=O)(=O)CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925634273 617580106 /nfs/dbraw/zinc/58/01/06/617580106.db2.gz JBYFDTKANCJXTH-OAHLLOKOSA-N 1 3 296.436 1.657 20 30 CDEDHO CN1CCC([N@@H+]2CC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC000892948690 617957746 /nfs/dbraw/zinc/95/77/46/617957746.db2.gz XPRCVSDEJPURSH-SFHVURJKSA-N 1 3 297.446 1.796 20 30 CDEDHO CN1CCC([N@H+]2CC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC000892948690 617957757 /nfs/dbraw/zinc/95/77/57/617957757.db2.gz 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C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192344455 923017430 /nfs/dbraw/zinc/01/74/30/923017430.db2.gz XCNQFYRJFDCDPE-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192344455 923017444 /nfs/dbraw/zinc/01/74/44/923017444.db2.gz XCNQFYRJFDCDPE-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629381 925313280 /nfs/dbraw/zinc/31/32/80/925313280.db2.gz UEAWJZHOEKCCOU-HZPDHXFCSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101351 937041709 /nfs/dbraw/zinc/04/17/09/937041709.db2.gz ZQVGNUNGQUOQKV-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102101351 937041711 /nfs/dbraw/zinc/04/17/11/937041711.db2.gz ZQVGNUNGQUOQKV-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370007 937054029 /nfs/dbraw/zinc/05/40/29/937054029.db2.gz NVQBXJGBBUZGGJ-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370007 937054032 /nfs/dbraw/zinc/05/40/32/937054032.db2.gz NVQBXJGBBUZGGJ-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102380748 937056414 /nfs/dbraw/zinc/05/64/14/937056414.db2.gz VHWFKWQTXPHEGD-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102380748 937056415 /nfs/dbraw/zinc/05/64/15/937056415.db2.gz VHWFKWQTXPHEGD-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152236889 937346765 /nfs/dbraw/zinc/34/67/65/937346765.db2.gz HORJVSXRKSQTRO-UHFFFAOYSA-N 1 3 275.396 1.644 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583710 929799173 /nfs/dbraw/zinc/79/91/73/929799173.db2.gz NQDRKGPSKHZPDJ-UONOGXRCSA-N 1 3 279.428 1.367 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135977757 930586280 /nfs/dbraw/zinc/58/62/80/930586280.db2.gz YNSWLUKOOSSACE-CHWSQXEVSA-N 1 3 289.851 1.954 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879877 937479739 /nfs/dbraw/zinc/47/97/39/937479739.db2.gz OJEXVUOBHGYVRD-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879877 937479740 /nfs/dbraw/zinc/47/97/40/937479740.db2.gz OJEXVUOBHGYVRD-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC001160510573 931676324 /nfs/dbraw/zinc/67/63/24/931676324.db2.gz DDFUJBMVODURTA-ZDUSSCGKSA-N 1 3 253.390 1.400 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001091213660 932015416 /nfs/dbraw/zinc/01/54/16/932015416.db2.gz RISYJHIGLTZXIN-UHFFFAOYSA-N 1 3 299.846 1.565 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148656735 932760018 /nfs/dbraw/zinc/76/00/18/932760018.db2.gz BJWZOOZRTZZWHI-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148656735 932760023 /nfs/dbraw/zinc/76/00/23/932760023.db2.gz BJWZOOZRTZZWHI-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367425 932881355 /nfs/dbraw/zinc/88/13/55/932881355.db2.gz MBMMKGWWPTUVSW-CABCVRRESA-N 1 3 281.444 1.470 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226066 937651131 /nfs/dbraw/zinc/65/11/31/937651131.db2.gz GKWWVECCTSFNHT-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226066 937651134 /nfs/dbraw/zinc/65/11/34/937651134.db2.gz GKWWVECCTSFNHT-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C[C@H](C#N)OCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000687819615 934459684 /nfs/dbraw/zinc/45/96/84/934459684.db2.gz NDUJQQCHHJNIDN-NXHRZFHOSA-N 1 3 299.418 1.979 20 30 CDEDHO C[C@H](C#N)OCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000687819615 934459692 /nfs/dbraw/zinc/45/96/92/934459692.db2.gz NDUJQQCHHJNIDN-NXHRZFHOSA-N 1 3 299.418 1.979 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207780 937786456 /nfs/dbraw/zinc/78/64/56/937786456.db2.gz FSPNNZNGWMSCLT-UHFFFAOYSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)CC1CC[NH2+]CC1 ZINC001122567597 937942278 /nfs/dbraw/zinc/94/22/78/937942278.db2.gz UZGPPIJSHMDTRY-ZDUSSCGKSA-N 1 3 253.390 1.128 20 30 CDEDHO CCCCN(CC#N)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160735006 938822434 /nfs/dbraw/zinc/82/24/34/938822434.db2.gz OFRUDKKNCAILEA-AWEZNQCLSA-N 1 3 282.432 1.634 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651339 939699669 /nfs/dbraw/zinc/69/96/69/939699669.db2.gz NBCBLCIAQUTHEA-CABCVRRESA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668716 940624664 /nfs/dbraw/zinc/62/46/64/940624664.db2.gz HGRZFCUVQYMNEG-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209661182 940624702 /nfs/dbraw/zinc/62/47/02/940624702.db2.gz UIVJUHZGVHWFDG-CQSZACIVSA-N 1 3 281.444 1.731 20 30 CDEDHO N#CCc1cccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218987888 941297765 /nfs/dbraw/zinc/29/77/65/941297765.db2.gz OKLPBIDKQNHHAM-CQSZACIVSA-N 1 3 272.352 1.018 20 30 CDEDHO N#C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001219557453 941355240 /nfs/dbraw/zinc/35/52/40/941355240.db2.gz AKBVGAJJWMYYQL-HUUCEWRRSA-N 1 3 298.390 1.242 20 30 CDEDHO N#C[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001219557453 941355242 /nfs/dbraw/zinc/35/52/42/941355242.db2.gz AKBVGAJJWMYYQL-HUUCEWRRSA-N 1 3 298.390 1.242 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CC[NH3+])CC(F)(F)F ZINC001263180304 943776640 /nfs/dbraw/zinc/77/66/40/943776640.db2.gz IXMSUZPGMUEUTH-VIFPVBQESA-N 1 3 267.295 1.020 20 30 CDEDHO CCCCCCCC[C@@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246012600 947890769 /nfs/dbraw/zinc/89/07/69/947890769.db2.gz BJXBSBYPNKQBFU-LSDHHAIUSA-N 1 3 271.449 1.249 20 30 CDEDHO N=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cn1 ZINC001246216129 948033116 /nfs/dbraw/zinc/03/31/16/948033116.db2.gz XBTHGDYGUXYZOD-ZACCUICWSA-N 1 3 264.760 1.723 20 30 CDEDHO CC(C)(S)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685927 948395537 /nfs/dbraw/zinc/39/55/37/948395537.db2.gz ISRXSAHRHQLGLF-UHFFFAOYSA-N 1 3 272.458 1.928 20 30 CDEDHO C[C@@H]1CC[C@@H](N2CCC3SC(=O)C=C3C2)C[NH2+]1 ZINC001246695844 948406145 /nfs/dbraw/zinc/40/61/45/948406145.db2.gz QSKVWCOZOXXTFJ-JLLWLGSASA-N 1 3 252.383 1.401 20 30 CDEDHO C=C[C@](C)(O)CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001252558449 951451708 /nfs/dbraw/zinc/45/17/08/951451708.db2.gz WUQRWEKWIHZNOT-HNNXBMFYSA-N 1 3 261.369 1.449 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC001333666224 958493863 /nfs/dbraw/zinc/49/38/63/958493863.db2.gz BPJWCOUZAGPTHI-AWEZNQCLSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001333666224 958493868 /nfs/dbraw/zinc/49/38/68/958493868.db2.gz BPJWCOUZAGPTHI-AWEZNQCLSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC001340151806 962778733 /nfs/dbraw/zinc/77/87/33/962778733.db2.gz OBQBNVBISISOBM-AWEZNQCLSA-N 1 3 267.417 1.662 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH2+]C ZINC001341027695 963241770 /nfs/dbraw/zinc/24/17/70/963241770.db2.gz KGJWQOBINGKUBD-HZPDHXFCSA-N 1 3 289.423 1.617 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001341767618 963534369 /nfs/dbraw/zinc/53/43/69/963534369.db2.gz OOCURBSCMDLWCJ-QWHCGFSZSA-N 1 3 253.390 1.257 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636878 968840603 /nfs/dbraw/zinc/84/06/03/968840603.db2.gz PQHUNQQJQGROHM-UHFFFAOYSA-N 1 3 273.808 1.175 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001496612451 972989269 /nfs/dbraw/zinc/98/92/69/972989269.db2.gz NYLNSNJTWJHTIT-KBPBESRZSA-N 1 3 269.433 1.633 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001158773577 1163566137 /nfs/dbraw/zinc/56/61/37/1163566137.db2.gz SEWPSIXVJNMJOT-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001158773577 1163566144 /nfs/dbraw/zinc/56/61/44/1163566144.db2.gz SEWPSIXVJNMJOT-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO CC#CC[C@H](N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001574973224 1171070393 /nfs/dbraw/zinc/07/03/93/1171070393.db2.gz ULAYFJFYBJXFJP-AWEZNQCLSA-N 1 3 279.428 1.498 20 30 CDEDHO C[C@@H](CCNC(=O)[C@H](N)CCCC#N)[NH+]1CCCCC1 ZINC001575962538 1171305390 /nfs/dbraw/zinc/30/53/90/1171305390.db2.gz SWCQKQMQBZHFQS-UONOGXRCSA-N 1 3 280.416 1.388 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000591667752 342641125 /nfs/dbraw/zinc/64/11/25/342641125.db2.gz VSHTWKZZPCNQFO-CVEARBPZSA-N 1 3 293.455 1.753 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000591667752 342641126 /nfs/dbraw/zinc/64/11/26/342641126.db2.gz VSHTWKZZPCNQFO-CVEARBPZSA-N 1 3 293.455 1.753 20 30 CDEDHO CN1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000442877700 362099859 /nfs/dbraw/zinc/09/98/59/362099859.db2.gz ROKYXLUTICKIQY-KGLIPLIRSA-N 1 3 264.417 1.294 20 30 CDEDHO C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000597992982 343683102 /nfs/dbraw/zinc/68/31/02/343683102.db2.gz QKLGNLPXRUZWHL-CZUORRHYSA-N 1 3 298.390 1.697 20 30 CDEDHO COCC#CCN1CCC2(C[NH2+][C@@H]2C(C)C)CC1 ZINC001578948756 1172058960 /nfs/dbraw/zinc/05/89/60/1172058960.db2.gz GCJFOHSNPZAZBR-CQSZACIVSA-N 1 3 250.386 1.346 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000491661197 347585367 /nfs/dbraw/zinc/58/53/67/347585367.db2.gz DGNUEADWWFIXRN-HNNXBMFYSA-N 1 3 294.443 1.148 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccnc1 ZINC000264076566 362958971 /nfs/dbraw/zinc/95/89/71/362958971.db2.gz HNWYYPMFBZRJFY-AWEZNQCLSA-N 1 3 275.400 1.013 20 30 CDEDHO CCNC(NCc1cccc(OCCN(C)C)c1)=[NH+]CC ZINC000264112024 362970197 /nfs/dbraw/zinc/97/01/97/362970197.db2.gz OZKGQYABPDGTSG-UHFFFAOYSA-N 1 3 292.427 1.702 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[NH3+])C(C)C ZINC000236680280 358795341 /nfs/dbraw/zinc/79/53/41/358795341.db2.gz XLZGCVHBILXCEZ-CYBMUJFWSA-N 1 3 253.390 1.150 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236688308 358799000 /nfs/dbraw/zinc/79/90/00/358799000.db2.gz ZKETVNLKVABJOF-ARFHVFGLSA-N 1 3 293.455 1.929 20 30 CDEDHO C=CCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000338669386 360954280 /nfs/dbraw/zinc/95/42/80/360954280.db2.gz XNMFENHRSMVZQD-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000338669386 360954286 /nfs/dbraw/zinc/95/42/86/360954286.db2.gz XNMFENHRSMVZQD-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(CC[NH2+]C)CC2)C1=O ZINC000420299381 376323540 /nfs/dbraw/zinc/32/35/40/376323540.db2.gz BAIHOXDKHAIOSX-AWEZNQCLSA-N 1 3 265.401 1.095 20 30 CDEDHO N#Cc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000383522353 378660415 /nfs/dbraw/zinc/66/04/15/378660415.db2.gz IPSGCPLKVSWBDJ-INIZCTEOSA-N 1 3 270.380 1.038 20 30 CDEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158952529 390938387 /nfs/dbraw/zinc/93/83/87/390938387.db2.gz BLYGZXCEBIXAGW-ZNMIVQPWSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158952529 390938388 /nfs/dbraw/zinc/93/83/88/390938388.db2.gz BLYGZXCEBIXAGW-ZNMIVQPWSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158952529 390938389 /nfs/dbraw/zinc/93/83/89/390938389.db2.gz BLYGZXCEBIXAGW-ZNMIVQPWSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158952529 390938390 /nfs/dbraw/zinc/93/83/90/390938390.db2.gz BLYGZXCEBIXAGW-ZNMIVQPWSA-N 1 3 252.402 1.730 20 30 CDEDHO C[C@@H]1CN(CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345952298 391323941 /nfs/dbraw/zinc/32/39/41/391323941.db2.gz NEHNRLAXSGTHED-CVEARBPZSA-N 1 3 292.471 1.884 20 30 CDEDHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345116410 392019592 /nfs/dbraw/zinc/01/95/92/392019592.db2.gz VUEBXSDWLMUPJY-HUUCEWRRSA-N 1 3 294.443 1.553 20 30 CDEDHO C[NH+](C)CCOCCNCc1cc(C#N)cs1 ZINC000230004694 140206033 /nfs/dbraw/zinc/20/60/33/140206033.db2.gz BBMWTVSUVAYFOB-UHFFFAOYSA-N 1 3 253.371 1.288 20 30 CDEDHO CC[NH+](CC)CCOCCNCc1cc(C#N)n(C)c1 ZINC000359669210 158330216 /nfs/dbraw/zinc/33/02/16/158330216.db2.gz DQXVODPTIIKTTF-UHFFFAOYSA-N 1 3 278.400 1.345 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000236960814 260632794 /nfs/dbraw/zinc/63/27/94/260632794.db2.gz PXSYTPUNOQGUJF-DGCLKSJQSA-N 1 3 253.390 1.126 20 30 CDEDHO C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158197075 261160605 /nfs/dbraw/zinc/16/06/05/261160605.db2.gz DGBDNCAKHULQDQ-SMDDNHRTSA-N 1 3 293.415 1.377 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000165201150 264209821 /nfs/dbraw/zinc/20/98/21/264209821.db2.gz VXBONYRNEWTCNJ-HOTGVXAUSA-N 1 3 293.455 1.943 20 30 CDEDHO CC(C#N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000357911800 266383662 /nfs/dbraw/zinc/38/36/62/266383662.db2.gz LUWQFFBLAWRBOK-GFCCVEGCSA-N 1 3 251.374 1.869 20 30 CDEDHO CC(C#N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000357911800 266383667 /nfs/dbraw/zinc/38/36/67/266383667.db2.gz LUWQFFBLAWRBOK-GFCCVEGCSA-N 1 3 251.374 1.869 20 30 CDEDHO C=CCN(CC=C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422825750 330156475 /nfs/dbraw/zinc/15/64/75/330156475.db2.gz BAKFWAIADPBAOI-HOCLYGCPSA-N 1 3 265.445 1.883 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000424125917 330258988 /nfs/dbraw/zinc/25/89/88/330258988.db2.gz AXGKFRQTLWYEKK-GJZGRUSLSA-N 1 3 292.427 1.484 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000444182673 330811126 /nfs/dbraw/zinc/81/11/26/330811126.db2.gz LLUURMLXPMMNCD-ZIAGYGMSSA-N 1 3 265.401 1.163 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000236684452 482601154 /nfs/dbraw/zinc/60/11/54/482601154.db2.gz YVGOYQPIPIDTPK-OWCLPIDISA-N 1 3 293.455 1.929 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000669385688 482763607 /nfs/dbraw/zinc/76/36/07/482763607.db2.gz FGVMLVPSLHQFMT-KBPBESRZSA-N 1 3 282.432 1.331 20 30 CDEDHO CC[C@H](CNC(=[NH2+])N1CCC(C)CC1)N1CCCC1 ZINC000303373951 483144088 /nfs/dbraw/zinc/14/40/88/483144088.db2.gz MXYVYNVQMHPXAI-CQSZACIVSA-N 1 3 266.433 1.907 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559416 1161219270 /nfs/dbraw/zinc/21/92/70/1161219270.db2.gz OIJFYGPKIJCMDF-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559416 1161219275 /nfs/dbraw/zinc/21/92/75/1161219275.db2.gz OIJFYGPKIJCMDF-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO CC[NH+](CC)CCOC1CCN(C(=O)C(C)C#N)CC1 ZINC000347224178 528141335 /nfs/dbraw/zinc/14/13/35/528141335.db2.gz FRYVJOOZIYPNSS-CYBMUJFWSA-N 1 3 281.400 1.495 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686281 613628136 /nfs/dbraw/zinc/62/81/36/613628136.db2.gz CBNSNUYHHSJXAE-AWEZNQCLSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686281 613628137 /nfs/dbraw/zinc/62/81/37/613628137.db2.gz CBNSNUYHHSJXAE-AWEZNQCLSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981813357 613679863 /nfs/dbraw/zinc/67/98/63/613679863.db2.gz JKYCSTNMXYJVGQ-HNNXBMFYSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981813357 613679864 /nfs/dbraw/zinc/67/98/64/613679864.db2.gz JKYCSTNMXYJVGQ-HNNXBMFYSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000911685949 629415959 /nfs/dbraw/zinc/41/59/59/629415959.db2.gz WRUOKBKKEOGAOB-AGIUHOORSA-N 1 3 253.390 1.398 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265580 1163219194 /nfs/dbraw/zinc/21/91/94/1163219194.db2.gz PBRIMPZGLWRRDG-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135064 1163579253 /nfs/dbraw/zinc/57/92/53/1163579253.db2.gz KZLUXGGQGUTGKC-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO C#CC[C@]1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC001574517825 1170990753 /nfs/dbraw/zinc/99/07/53/1170990753.db2.gz QTNMUWXNRKJARV-BFYDXBDKSA-N 1 3 291.439 1.511 20 30 CDEDHO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001753632176 1185277537 /nfs/dbraw/zinc/27/75/37/1185277537.db2.gz ITCJKGVNICDUKB-CABCVRRESA-N 1 3 279.428 1.226 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001753811598 1185341593 /nfs/dbraw/zinc/34/15/93/1185341593.db2.gz KVOYMNRCXWVDJV-DZGCQCFKSA-N 1 3 288.395 1.192 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001755748186 1186056238 /nfs/dbraw/zinc/05/62/38/1186056238.db2.gz RSMFHXZHGRFQBO-ZIAGYGMSSA-N 1 3 290.411 1.711 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597140 728849877 /nfs/dbraw/zinc/84/98/77/728849877.db2.gz NGFQLJJKCIJVHY-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597140 728849878 /nfs/dbraw/zinc/84/98/78/728849878.db2.gz NGFQLJJKCIJVHY-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000903113 728586235 /nfs/dbraw/zinc/58/62/35/728586235.db2.gz IWWBXGRBKOTHGR-UHFFFAOYSA-N 1 3 289.423 1.549 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1CCCCO1 ZINC000305817388 729029712 /nfs/dbraw/zinc/02/97/12/729029712.db2.gz AJUIANXZCCCRHN-ZIAGYGMSSA-N 1 3 282.432 1.334 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000876751725 729377343 /nfs/dbraw/zinc/37/73/43/729377343.db2.gz WMTSPJKHPOYGIM-NWDGAFQWSA-N 1 3 273.808 1.447 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000876751725 729377344 /nfs/dbraw/zinc/37/73/44/729377344.db2.gz WMTSPJKHPOYGIM-NWDGAFQWSA-N 1 3 273.808 1.447 20 30 CDEDHO C#C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000877513287 729527538 /nfs/dbraw/zinc/52/75/38/729527538.db2.gz QOCNOQUYHLXTJG-AWEZNQCLSA-N 1 3 252.402 1.469 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCO[C@H](C)C1 ZINC000261999266 729688999 /nfs/dbraw/zinc/68/89/99/729688999.db2.gz PARVPVRQSXGELU-MGPQQGTHSA-N 1 3 282.432 1.190 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001020144152 729802156 /nfs/dbraw/zinc/80/21/56/729802156.db2.gz RVVMGJOXKIUTGG-RBSFLKMASA-N 1 3 279.428 1.672 20 30 CDEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018266464 729828404 /nfs/dbraw/zinc/82/84/04/729828404.db2.gz PEKUMPYVTJWJNV-OAGGEKHMSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018266464 729828406 /nfs/dbraw/zinc/82/84/06/729828406.db2.gz PEKUMPYVTJWJNV-OAGGEKHMSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020588647 729835882 /nfs/dbraw/zinc/83/58/82/729835882.db2.gz IJOGLBZXODVPCQ-RAIGVLPGSA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020588647 729835885 /nfs/dbraw/zinc/83/58/85/729835885.db2.gz IJOGLBZXODVPCQ-RAIGVLPGSA-N 1 3 285.819 1.318 20 30 CDEDHO C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001002143813 729883606 /nfs/dbraw/zinc/88/36/06/729883606.db2.gz CKVJACPMNKDYKR-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000813618492 729889384 /nfs/dbraw/zinc/88/93/84/729889384.db2.gz LUAALNQZTWDPFI-OAHLLOKOSA-N 1 3 293.386 1.662 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001023123371 729895088 /nfs/dbraw/zinc/89/50/88/729895088.db2.gz UVHBUTIOYRDOAL-XDQVBPFNSA-N 1 3 265.401 1.282 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576462 729903534 /nfs/dbraw/zinc/90/35/34/729903534.db2.gz PIQMPJWKMSQVEO-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576462 729903540 /nfs/dbraw/zinc/90/35/40/729903540.db2.gz PIQMPJWKMSQVEO-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C[C@@H](C[NH+]=C(N(C)C)N(C)C)N1CCC(C)CC1 ZINC000261975517 729959224 /nfs/dbraw/zinc/95/92/24/729959224.db2.gz FWVOTULYSMGPSM-ZDUSSCGKSA-N 1 3 254.422 1.586 20 30 CDEDHO C=CCCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091531 730018621 /nfs/dbraw/zinc/01/86/21/730018621.db2.gz WECMQEHNJBJLMK-CQSZACIVSA-N 1 3 277.412 1.381 20 30 CDEDHO C#CCN1CCC[C@H](NC2CC[NH+](CCC)CC2)C1 ZINC000886659307 730307213 /nfs/dbraw/zinc/30/72/13/730307213.db2.gz IZXXVTQPFOKBSL-INIZCTEOSA-N 1 3 263.429 1.548 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057096 730406689 /nfs/dbraw/zinc/40/66/89/730406689.db2.gz LQABSJKVUFEWJC-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057096 730406690 /nfs/dbraw/zinc/40/66/90/730406690.db2.gz LQABSJKVUFEWJC-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)CN(CC)CC ZINC001153653833 1164813544 /nfs/dbraw/zinc/81/35/44/1164813544.db2.gz HLXYVJBIINAKEB-ZIAGYGMSSA-N 1 3 285.407 1.126 20 30 CDEDHO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CN(CC)CC ZINC001153653833 1164813551 /nfs/dbraw/zinc/81/35/51/1164813551.db2.gz HLXYVJBIINAKEB-ZIAGYGMSSA-N 1 3 285.407 1.126 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336123 913861534 /nfs/dbraw/zinc/86/15/34/913861534.db2.gz DCBFKDCZHRCKDB-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665519 914115712 /nfs/dbraw/zinc/11/57/12/914115712.db2.gz ZRDWJUUPUKPPOZ-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO N#Cc1ccc(Cl)c(NC(=N)NCCCC[NH3+])n1 ZINC001167884312 901644102 /nfs/dbraw/zinc/64/41/02/901644102.db2.gz UZGYMWOGXSWADA-UHFFFAOYSA-N 1 3 266.736 1.282 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087827678 905879704 /nfs/dbraw/zinc/87/97/04/905879704.db2.gz FAEKIBFXFDNKCY-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087827678 905879719 /nfs/dbraw/zinc/87/97/19/905879719.db2.gz FAEKIBFXFDNKCY-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003629427 921368191 /nfs/dbraw/zinc/36/81/91/921368191.db2.gz AJZRBNNGDHKEID-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457700 921609394 /nfs/dbraw/zinc/60/93/94/921609394.db2.gz LPZSCGPIDJOAAK-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534454 915859341 /nfs/dbraw/zinc/85/93/41/915859341.db2.gz MPDYQSNXADVYBR-ILXRZTDVSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546229 915879512 /nfs/dbraw/zinc/87/95/12/915879512.db2.gz GUGBDSCQRZMRQA-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198595 936431827 /nfs/dbraw/zinc/43/18/27/936431827.db2.gz AOQIUHBTFJHTGB-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198595 936431836 /nfs/dbraw/zinc/43/18/36/936431836.db2.gz AOQIUHBTFJHTGB-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932665 918239520 /nfs/dbraw/zinc/23/95/20/918239520.db2.gz CWEATCYCXDAKQJ-NVXWUHKLSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185763268 919742724 /nfs/dbraw/zinc/74/27/24/919742724.db2.gz RQDWHWFEGRQQNI-HOTGVXAUSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188139834 920854737 /nfs/dbraw/zinc/85/47/37/920854737.db2.gz ROZMIYBFNRSJNX-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001079681334 924403973 /nfs/dbraw/zinc/40/39/73/924403973.db2.gz HRGWYFSCGWGEEO-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001079681334 924403976 /nfs/dbraw/zinc/40/39/76/924403976.db2.gz HRGWYFSCGWGEEO-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCOCC[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100770745 936933938 /nfs/dbraw/zinc/93/39/38/936933938.db2.gz MFTWOPDHERORCI-UHFFFAOYSA-N 1 3 297.443 1.015 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001082942035 925035598 /nfs/dbraw/zinc/03/55/98/925035598.db2.gz ZWBIFEVXCRBGKO-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001085406321 925936251 /nfs/dbraw/zinc/93/62/51/925936251.db2.gz ZOKIHNAIMUZVCY-ZIAGYGMSSA-N 1 3 290.411 1.854 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108802923 928637458 /nfs/dbraw/zinc/63/74/58/928637458.db2.gz RBFHVURYSYEUGJ-XHSDSOJGSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803096 928637998 /nfs/dbraw/zinc/63/79/98/928637998.db2.gz WJZCDYZOBVKMCP-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979573 930578711 /nfs/dbraw/zinc/57/87/11/930578711.db2.gz HLXNIBZKCISHHA-KBPBESRZSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085209 937632486 /nfs/dbraw/zinc/63/24/86/937632486.db2.gz LEFPOWSNUJFEOK-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085209 937632488 /nfs/dbraw/zinc/63/24/88/937632488.db2.gz LEFPOWSNUJFEOK-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932140718 933670682 /nfs/dbraw/zinc/67/06/82/933670682.db2.gz GNTKNKMMXQEBGX-UHFFFAOYSA-N 1 3 267.417 1.531 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCSC ZINC000304739543 935085934 /nfs/dbraw/zinc/08/59/34/935085934.db2.gz XGZVFTDKGXVODH-NSHDSACASA-N 1 3 258.435 1.128 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161140947 938875283 /nfs/dbraw/zinc/87/52/83/938875283.db2.gz VGUDAVJYAUTGTN-MRXNPFEDSA-N 1 3 291.439 1.344 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207802 938879225 /nfs/dbraw/zinc/87/92/25/938879225.db2.gz WQQLEOPYZBHYSF-ZBFHGGJFSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207802 938879228 /nfs/dbraw/zinc/87/92/28/938879228.db2.gz WQQLEOPYZBHYSF-ZBFHGGJFSA-N 1 3 291.439 1.509 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161879589 938939420 /nfs/dbraw/zinc/93/94/20/938939420.db2.gz PUSKYKJJBNVAAO-UHFFFAOYSA-N 1 3 289.423 1.244 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161879589 938939422 /nfs/dbraw/zinc/93/94/22/938939422.db2.gz PUSKYKJJBNVAAO-UHFFFAOYSA-N 1 3 289.423 1.244 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485242 939567582 /nfs/dbraw/zinc/56/75/82/939567582.db2.gz QDASXXYIYYQSHF-CQSZACIVSA-N 1 3 279.428 1.389 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165491843 939567652 /nfs/dbraw/zinc/56/76/52/939567652.db2.gz CIVXGGSQZOCATA-UHFFFAOYSA-N 1 3 293.455 1.923 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765409 939637827 /nfs/dbraw/zinc/63/78/27/939637827.db2.gz ZOMFMFCZIKRWKJ-UHFFFAOYSA-N 1 3 281.444 1.780 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210227687 940673272 /nfs/dbraw/zinc/67/32/72/940673272.db2.gz DEFMKIGOJBCDQG-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211299946 940746765 /nfs/dbraw/zinc/74/67/65/940746765.db2.gz DONMQIXEFNCVEB-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218629102 941247698 /nfs/dbraw/zinc/24/76/98/941247698.db2.gz WFVVLTMMDXUYAS-SNVBAGLBSA-N 1 3 272.308 1.309 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN(CC)CC)CC1 ZINC001224904562 941804725 /nfs/dbraw/zinc/80/47/25/941804725.db2.gz QLANGQSZCLVWRG-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN(CC)CC)CC1 ZINC001229679353 942510075 /nfs/dbraw/zinc/51/00/75/942510075.db2.gz WLWPQLIYKJWFBR-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266222095 944770093 /nfs/dbraw/zinc/77/00/93/944770093.db2.gz NPURXNCHXRFBCN-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266222095 944770101 /nfs/dbraw/zinc/77/01/01/944770101.db2.gz NPURXNCHXRFBCN-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO N#Cc1cc(-c2cccc(CN)n2)cc(C2C[NH2+]C2)c1 ZINC001240337781 945795420 /nfs/dbraw/zinc/79/54/20/945795420.db2.gz TUZZJUAISHJWAW-UHFFFAOYSA-N 1 3 264.332 1.766 20 30 CDEDHO CC(C)N1CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254643665 947566283 /nfs/dbraw/zinc/56/62/83/947566283.db2.gz QPYTYYFYLVTSJP-GJZGRUSLSA-N 1 3 264.417 1.294 20 30 CDEDHO C=CCCCCCC[C@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246024544 947902794 /nfs/dbraw/zinc/90/27/94/947902794.db2.gz USCRKBYTJWOHIK-SOUVJXGZSA-N 1 3 270.417 1.125 20 30 CDEDHO C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246466597 948189385 /nfs/dbraw/zinc/18/93/85/948189385.db2.gz PIKUSOGXNDXEOU-ZFWWWQNUSA-N 1 3 295.427 1.751 20 30 CDEDHO C=CCOC[C@@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001252492687 951362422 /nfs/dbraw/zinc/36/24/22/951362422.db2.gz ZUYXNXPMZGJTKZ-ZDUSSCGKSA-N 1 3 275.352 1.259 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC001340103621 962744255 /nfs/dbraw/zinc/74/42/55/962744255.db2.gz AOFPAFJUZRYMAF-ZIAGYGMSSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC001340103621 962744276 /nfs/dbraw/zinc/74/42/76/962744276.db2.gz AOFPAFJUZRYMAF-ZIAGYGMSSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC1CC[NH+](CC)CC1 ZINC001340865189 963161893 /nfs/dbraw/zinc/16/18/93/963161893.db2.gz OMUNTZQZQFLYQB-OAHLLOKOSA-N 1 3 281.444 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001341584454 963474119 /nfs/dbraw/zinc/47/41/19/963474119.db2.gz FPAMVKCOQOBOSK-CHWSQXEVSA-N 1 3 253.390 1.223 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100443781 968372174 /nfs/dbraw/zinc/37/21/74/968372174.db2.gz ZYYOLCGYQCMBJX-JXQTWKCFSA-N 1 3 267.417 1.387 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001390610841 976391881 /nfs/dbraw/zinc/39/18/81/976391881.db2.gz UPSNZXVCPJXNSK-ZDUSSCGKSA-N 1 3 287.835 1.519 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001391940828 977157035 /nfs/dbraw/zinc/15/70/35/977157035.db2.gz VUASKWQXJXSKHH-VXGBXAGGSA-N 1 3 287.835 1.423 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001391949957 977161160 /nfs/dbraw/zinc/16/11/60/977161160.db2.gz MLXMNTWYOKDBQL-AAEUAGOBSA-N 1 3 289.851 1.667 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346543 1163643478 /nfs/dbraw/zinc/64/34/78/1163643478.db2.gz MOFFZAQSBNZHPV-HOTGVXAUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441426 1173946673 /nfs/dbraw/zinc/94/66/73/1173946673.db2.gz ZEVKKDGHPLCLRP-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441426 1173946677 /nfs/dbraw/zinc/94/66/77/1173946677.db2.gz ZEVKKDGHPLCLRP-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO CN(CCCN(C)Cc1cccc(C#N)n1)CC[NH+](C)C ZINC000602665189 350138642 /nfs/dbraw/zinc/13/86/42/350138642.db2.gz SVUOYJFOLDDEGQ-UHFFFAOYSA-N 1 3 289.427 1.269 20 30 CDEDHO C[NH+]=C(NCCCN1CCc2ccccc2C1)NC1CC1 ZINC000264040293 362952072 /nfs/dbraw/zinc/95/20/72/362952072.db2.gz IHUGXEOFCYMFSN-UHFFFAOYSA-N 1 3 286.423 1.762 20 30 CDEDHO CCCCNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264086970 362963006 /nfs/dbraw/zinc/96/30/06/362963006.db2.gz JTXOMKYVHKPPFD-UHFFFAOYSA-N 1 3 262.401 1.953 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000420331422 376328353 /nfs/dbraw/zinc/32/83/53/376328353.db2.gz QTMVSCWFVNXRSV-ZNMIVQPWSA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417532285 377889684 /nfs/dbraw/zinc/88/96/84/377889684.db2.gz FBODJSLZDKCAHQ-AWEZNQCLSA-N 1 3 282.432 1.309 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000192097252 378184705 /nfs/dbraw/zinc/18/47/05/378184705.db2.gz WHGGREOOTNEVHQ-RBSFLKMASA-N 1 3 281.444 1.785 20 30 CDEDHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339034478 391244194 /nfs/dbraw/zinc/24/41/94/391244194.db2.gz SVSJPMDWTKRZHB-DZGCQCFKSA-N 1 3 292.427 1.068 20 30 CDEDHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339034481 391244380 /nfs/dbraw/zinc/24/43/80/391244380.db2.gz SVSJPMDWTKRZHB-ZFWWWQNUSA-N 1 3 292.427 1.068 20 30 CDEDHO C=CCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000339059539 391247963 /nfs/dbraw/zinc/24/79/63/391247963.db2.gz LRCVJRJTCPPLCN-JKSUJKDBSA-N 1 3 281.444 1.147 20 30 CDEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC#N ZINC000360154179 391643424 /nfs/dbraw/zinc/64/34/24/391643424.db2.gz GRWUXGVKXRHZBG-OAHLLOKOSA-N 1 3 294.443 1.555 20 30 CDEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC#N ZINC000360154179 391643427 /nfs/dbraw/zinc/64/34/27/391643427.db2.gz GRWUXGVKXRHZBG-OAHLLOKOSA-N 1 3 294.443 1.555 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442712026 391732545 /nfs/dbraw/zinc/73/25/45/391732545.db2.gz FYZOATYEWHXFMB-LSDHHAIUSA-N 1 3 264.417 1.296 20 30 CDEDHO CN1CCN(CCCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000078926498 279235976 /nfs/dbraw/zinc/23/59/76/279235976.db2.gz UZTPTMBBGIMABQ-UHFFFAOYSA-N 1 3 286.423 1.675 20 30 CDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)cc1 ZINC000103211559 279294104 /nfs/dbraw/zinc/29/41/04/279294104.db2.gz KGRPBQYHGDMVGT-UHFFFAOYSA-N 1 3 288.395 1.124 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000262528080 330019742 /nfs/dbraw/zinc/01/97/42/330019742.db2.gz MAOVGKFQBSKHAA-DVOMOZLQSA-N 1 3 296.459 1.579 20 30 CDEDHO C#CCNC(NC[C@H](C)N1CCCC[C@H]1C)=[NH+]CC ZINC000262636249 330023747 /nfs/dbraw/zinc/02/37/47/330023747.db2.gz ZXWTVNZULQLCQH-KGLIPLIRSA-N 1 3 264.417 1.438 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262710739 330028336 /nfs/dbraw/zinc/02/83/36/330028336.db2.gz PJABWLOAKLERNX-LLVKDONJSA-N 1 3 274.359 1.420 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262762825 330029988 /nfs/dbraw/zinc/02/99/88/330029988.db2.gz FZYDYZXHMVAFHK-STQMWFEESA-N 1 3 266.389 1.068 20 30 CDEDHO CN(C)C(NCc1ccccc1)=[NH+]CC1=CCN(C)CC1 ZINC000263151720 330046053 /nfs/dbraw/zinc/04/60/53/330046053.db2.gz MBRZWWSHPCDCGU-UHFFFAOYSA-N 1 3 286.423 1.956 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423367901 330194653 /nfs/dbraw/zinc/19/46/53/330194653.db2.gz ATRVZQNTPSPIBA-OCCSQVGLSA-N 1 3 265.401 1.141 20 30 CDEDHO CC[NH2+]Cc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424056890 330218442 /nfs/dbraw/zinc/21/84/42/330218442.db2.gz IQGSJNOYDLIPGE-CQSZACIVSA-N 1 3 274.368 1.756 20 30 CDEDHO C[N@H+](CCCNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424133865 330266429 /nfs/dbraw/zinc/26/64/29/330266429.db2.gz MVEOZKDHJFLOAF-OAHLLOKOSA-N 1 3 294.443 1.778 20 30 CDEDHO C[N@@H+](CCCNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424133865 330266430 /nfs/dbraw/zinc/26/64/30/330266430.db2.gz MVEOZKDHJFLOAF-OAHLLOKOSA-N 1 3 294.443 1.778 20 30 CDEDHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424150991 330297019 /nfs/dbraw/zinc/29/70/19/330297019.db2.gz GWTPPZAJLWDHIE-HZSPNIEDSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424150991 330297020 /nfs/dbraw/zinc/29/70/20/330297020.db2.gz GWTPPZAJLWDHIE-HZSPNIEDSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@@H]1CCC[C@@](CNC(=O)[C@@H](N)CCCC#N)([NH+](C)C)C1 ZINC000424164194 330308263 /nfs/dbraw/zinc/30/82/63/330308263.db2.gz YMADJSPKQRKGNG-IJEWVQPXSA-N 1 3 294.443 1.634 20 30 CDEDHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424191273 330323531 /nfs/dbraw/zinc/32/35/31/330323531.db2.gz HCEDZXGDKHBGCJ-ZIAGYGMSSA-N 1 3 292.427 1.244 20 30 CDEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424194216 330324318 /nfs/dbraw/zinc/32/43/18/330324318.db2.gz RYZNYYDRKALCCJ-HNNXBMFYSA-N 1 3 294.443 1.730 20 30 CDEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424194216 330324319 /nfs/dbraw/zinc/32/43/19/330324319.db2.gz RYZNYYDRKALCCJ-HNNXBMFYSA-N 1 3 294.443 1.730 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000490590344 332093749 /nfs/dbraw/zinc/09/37/49/332093749.db2.gz QSROJDROBFIOKB-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000490590344 332093750 /nfs/dbraw/zinc/09/37/50/332093750.db2.gz QSROJDROBFIOKB-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N(CCC)CC[NH+](C)C)CC1 ZINC000490678909 332102966 /nfs/dbraw/zinc/10/29/66/332102966.db2.gz PGIVJLUPUHIUIA-UHFFFAOYSA-N 1 3 279.428 1.132 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000575733600 335110189 /nfs/dbraw/zinc/11/01/89/335110189.db2.gz GWTCEOLNJPAJOK-CQSZACIVSA-N 1 3 294.443 1.407 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669465039 483173152 /nfs/dbraw/zinc/17/31/52/483173152.db2.gz JXNOAYXZOLPPGY-HNNXBMFYSA-N 1 3 294.443 1.468 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000763920490 576765240 /nfs/dbraw/zinc/76/52/40/576765240.db2.gz ASWZRTBGFDXQHM-OAHLLOKOSA-N 1 3 275.396 1.523 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947496610 613224109 /nfs/dbraw/zinc/22/41/09/613224109.db2.gz CDUDGWGZUDBAGY-LSDHHAIUSA-N 1 3 289.423 1.217 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652380 613299480 /nfs/dbraw/zinc/29/94/80/613299480.db2.gz FCZVEJOBFIMERK-GDBMZVCRSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969652380 613299482 /nfs/dbraw/zinc/29/94/82/613299482.db2.gz FCZVEJOBFIMERK-GDBMZVCRSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948245331 613314271 /nfs/dbraw/zinc/31/42/71/613314271.db2.gz OWFPFQXMEDMOHL-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948245331 613314273 /nfs/dbraw/zinc/31/42/73/613314273.db2.gz OWFPFQXMEDMOHL-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970334409 613863550 /nfs/dbraw/zinc/86/35/50/613863550.db2.gz JEONCUVFOZQRMV-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCOCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925744 617726892 /nfs/dbraw/zinc/72/68/92/617726892.db2.gz AAFHMMSLGVFHFB-GJZGRUSLSA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925744 617726897 /nfs/dbraw/zinc/72/68/97/617726897.db2.gz AAFHMMSLGVFHFB-GJZGRUSLSA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000851925744 617726904 /nfs/dbraw/zinc/72/69/04/617726904.db2.gz AAFHMMSLGVFHFB-GJZGRUSLSA-N 1 3 264.413 1.879 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769096 1162023077 /nfs/dbraw/zinc/02/30/77/1162023077.db2.gz LHQIJEISQRGMNL-YDHLFZDLSA-N 1 3 288.395 1.497 20 30 CDEDHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691965090 1175659964 /nfs/dbraw/zinc/65/99/64/1175659964.db2.gz JHVHQYFHULDGHU-CVEARBPZSA-N 1 3 293.455 1.376 20 30 CDEDHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691965090 1175659966 /nfs/dbraw/zinc/65/99/66/1175659966.db2.gz JHVHQYFHULDGHU-CVEARBPZSA-N 1 3 293.455 1.376 20 30 CDEDHO C#CC[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001725798028 1182134845 /nfs/dbraw/zinc/13/48/45/1182134845.db2.gz URVOYBZNAGPVRM-HNNXBMFYSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001732251292 1182883343 /nfs/dbraw/zinc/88/33/43/1182883343.db2.gz LCFHTPBWHJBWPF-HIFRSBDPSA-N 1 3 267.417 1.387 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001752832916 1184926981 /nfs/dbraw/zinc/92/69/81/1184926981.db2.gz RYUOQQIIXHSFNM-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001753794056 1185337131 /nfs/dbraw/zinc/33/71/31/1185337131.db2.gz JXIQMVHMJOJOOZ-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001755518544 1185977536 /nfs/dbraw/zinc/97/75/36/1185977536.db2.gz QAGHAUSMSRSBPJ-JKSUJKDBSA-N 1 3 293.455 1.757 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC)C2)CC1 ZINC000995231601 730431627 /nfs/dbraw/zinc/43/16/27/730431627.db2.gz NJEGBQQFLNILQW-GOEBONIOSA-N 1 3 291.439 1.226 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CC(C)C)N(C)C ZINC000303774860 730462524 /nfs/dbraw/zinc/46/25/24/730462524.db2.gz GFPDJEWWBTXZCM-LSDHHAIUSA-N 1 3 297.491 1.351 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022712823 730634940 /nfs/dbraw/zinc/63/49/40/730634940.db2.gz APYPPARTUZCILN-DVOMOZLQSA-N 1 3 295.402 1.069 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044859022 730680599 /nfs/dbraw/zinc/68/05/99/730680599.db2.gz YWTPYSQVWVAQMI-KGLIPLIRSA-N 1 3 299.846 1.804 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052716882 730727886 /nfs/dbraw/zinc/72/78/86/730727886.db2.gz QFPGZZISAJGKBT-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052716882 730727888 /nfs/dbraw/zinc/72/78/88/730727888.db2.gz QFPGZZISAJGKBT-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071995842 730955267 /nfs/dbraw/zinc/95/52/67/730955267.db2.gz NZWQZCPVKZDSAK-GJZGRUSLSA-N 1 3 291.439 1.627 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074939558 731290659 /nfs/dbraw/zinc/29/06/59/731290659.db2.gz GATDRQDAZDHZHU-JYJNAYRXSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849025539 731375961 /nfs/dbraw/zinc/37/59/61/731375961.db2.gz MMLDVFMWYGWHEF-ILXRZTDVSA-N 1 3 294.443 1.566 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041715257 731461202 /nfs/dbraw/zinc/46/12/02/731461202.db2.gz ULCACJYOKVEQFO-MRXNPFEDSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041715257 731461203 /nfs/dbraw/zinc/46/12/03/731461203.db2.gz ULCACJYOKVEQFO-MRXNPFEDSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968634 731905577 /nfs/dbraw/zinc/90/55/77/731905577.db2.gz SBRHRRJPWOHXFB-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713540 732005426 /nfs/dbraw/zinc/00/54/26/732005426.db2.gz ZQFWSBCRZDNAEJ-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713540 732005431 /nfs/dbraw/zinc/00/54/31/732005431.db2.gz ZQFWSBCRZDNAEJ-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892298 732159836 /nfs/dbraw/zinc/15/98/36/732159836.db2.gz SECGDGUMHACREG-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892298 732159845 /nfs/dbraw/zinc/15/98/45/732159845.db2.gz SECGDGUMHACREG-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813757 732217539 /nfs/dbraw/zinc/21/75/39/732217539.db2.gz XTOZKPCTBGTSID-CAOSSQGBSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813757 732217545 /nfs/dbraw/zinc/21/75/45/732217545.db2.gz XTOZKPCTBGTSID-CAOSSQGBSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870883406 732855721 /nfs/dbraw/zinc/85/57/21/732855721.db2.gz VPHGJIFYXAGDSL-JOCQHMNTSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC000987252300 732998468 /nfs/dbraw/zinc/99/84/68/732998468.db2.gz FDNCJAXZPRIZLJ-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO CCN(CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)CC(C)C ZINC000303773746 733067497 /nfs/dbraw/zinc/06/74/97/733067497.db2.gz FKFGFGBTRCUZMT-UONOGXRCSA-N 1 3 286.464 1.682 20 30 CDEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266352643 894518148 /nfs/dbraw/zinc/51/81/48/894518148.db2.gz FHJMYNZSMYBTEN-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266352643 894518159 /nfs/dbraw/zinc/51/81/59/894518159.db2.gz FHJMYNZSMYBTEN-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690488 898889684 /nfs/dbraw/zinc/88/96/84/898889684.db2.gz GIANHOCDVRXYDL-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986352522 907472788 /nfs/dbraw/zinc/47/27/88/907472788.db2.gz HJJGZLFVKONQBD-HIFRSBDPSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033079915 921703703 /nfs/dbraw/zinc/70/37/03/921703703.db2.gz ADQIMHBYDBUIAS-JKSUJKDBSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106906116 915287562 /nfs/dbraw/zinc/28/75/62/915287562.db2.gz XYBWIFQXPDXGND-ZIAGYGMSSA-N 1 3 267.417 1.198 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554155 915884798 /nfs/dbraw/zinc/88/47/98/915884798.db2.gz RWFLVBIGAFOMAO-IHRRRGAJSA-N 1 3 267.417 1.482 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107042339 917897189 /nfs/dbraw/zinc/89/71/89/917897189.db2.gz ICXHHYCYUMNTFC-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050669323 936562181 /nfs/dbraw/zinc/56/21/81/936562181.db2.gz WTNXTVIRORBZFD-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185535215 919665002 /nfs/dbraw/zinc/66/50/02/919665002.db2.gz BXNKDDMLPVLMNN-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342228 923015852 /nfs/dbraw/zinc/01/58/52/923015852.db2.gz AJGRYOIJQJNADF-CABCVRRESA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342228 923015864 /nfs/dbraw/zinc/01/58/64/923015864.db2.gz AJGRYOIJQJNADF-CABCVRRESA-N 1 3 277.412 1.027 20 30 CDEDHO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550733 923124912 /nfs/dbraw/zinc/12/49/12/923124912.db2.gz LAYYVRHDTCOOOY-ZFWWWQNUSA-N 1 3 290.411 1.840 20 30 CDEDHO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550733 923124919 /nfs/dbraw/zinc/12/49/19/923124919.db2.gz LAYYVRHDTCOOOY-ZFWWWQNUSA-N 1 3 290.411 1.840 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589646 926195796 /nfs/dbraw/zinc/19/57/96/926195796.db2.gz QEYHHHIOIPCEAP-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589646 926195801 /nfs/dbraw/zinc/19/58/01/926195801.db2.gz QEYHHHIOIPCEAP-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201238878 926227842 /nfs/dbraw/zinc/22/78/42/926227842.db2.gz DPTDEVHPNPHETJ-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086558393 929413399 /nfs/dbraw/zinc/41/33/99/929413399.db2.gz KPRDLLRFQNXZMN-KOMQPUFPSA-N 1 3 299.418 1.479 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC001006403310 930849965 /nfs/dbraw/zinc/84/99/65/930849965.db2.gz FUEUKAVKRYOOMA-UHFFFAOYSA-N 1 3 265.401 1.191 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153801856 937471681 /nfs/dbraw/zinc/47/16/81/937471681.db2.gz AGZMWQCAWXABLB-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153801856 937471682 /nfs/dbraw/zinc/47/16/82/937471682.db2.gz AGZMWQCAWXABLB-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001146718443 932289317 /nfs/dbraw/zinc/28/93/17/932289317.db2.gz BKDXRQCPPVZFPM-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001146718443 932289321 /nfs/dbraw/zinc/28/93/21/932289321.db2.gz BKDXRQCPPVZFPM-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046777003 935974916 /nfs/dbraw/zinc/97/49/16/935974916.db2.gz OQZCHIWFIWZKGP-OAHLLOKOSA-N 1 3 277.412 1.239 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001121991567 937897300 /nfs/dbraw/zinc/89/73/00/937897300.db2.gz UIXYQVZHWZYZQL-CQSZACIVSA-N 1 3 267.417 1.470 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156383875 938361542 /nfs/dbraw/zinc/36/15/42/938361542.db2.gz RHLZWVAHTYKIIE-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156383875 938361545 /nfs/dbraw/zinc/36/15/45/938361545.db2.gz RHLZWVAHTYKIIE-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090294 938582221 /nfs/dbraw/zinc/58/22/21/938582221.db2.gz SXHFQYVBLCOZGV-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001158090294 938582222 /nfs/dbraw/zinc/58/22/22/938582222.db2.gz SXHFQYVBLCOZGV-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165627446 939571907 /nfs/dbraw/zinc/57/19/07/939571907.db2.gz JJUZKJLZCWPMOH-HNNXBMFYSA-N 1 3 293.455 1.472 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707812 939629791 /nfs/dbraw/zinc/62/97/91/939629791.db2.gz JGLRLLAXUQPVHR-JQWIXIFHSA-N 1 3 273.808 1.033 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166707812 939629792 /nfs/dbraw/zinc/62/97/92/939629792.db2.gz JGLRLLAXUQPVHR-JQWIXIFHSA-N 1 3 273.808 1.033 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659365 940624724 /nfs/dbraw/zinc/62/47/24/940624724.db2.gz CJVZQLQOELFAKK-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216511347 940943307 /nfs/dbraw/zinc/94/33/07/940943307.db2.gz OQSMOIRHGZPLIH-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO N#Cc1c2c(sc1NC(=O)C1CC[NH2+]CC1)CNCC2 ZINC001218553596 941235786 /nfs/dbraw/zinc/23/57/86/941235786.db2.gz QKXMTCKKAOTPAE-UHFFFAOYSA-N 1 3 290.392 1.204 20 30 CDEDHO N#CCc1cc(NC(=O)[C@@H](N)CCCC[NH3+])ccc1F ZINC001219518346 941351930 /nfs/dbraw/zinc/35/19/30/941351930.db2.gz HDRHLELILJUOOY-ZDUSSCGKSA-N 1 3 278.331 1.287 20 30 CDEDHO CCCCCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520335 941607075 /nfs/dbraw/zinc/60/70/75/941607075.db2.gz FYUVSGFUSHDKQE-QGZVFWFLSA-N 1 3 293.455 1.758 20 30 CDEDHO CCCCCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520335 941607079 /nfs/dbraw/zinc/60/70/79/941607079.db2.gz FYUVSGFUSHDKQE-QGZVFWFLSA-N 1 3 293.455 1.758 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831028 942081166 /nfs/dbraw/zinc/08/11/66/942081166.db2.gz MCYIXJAENWCXTJ-HZPDHXFCSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226932397 942095976 /nfs/dbraw/zinc/09/59/76/942095976.db2.gz KWTHKAOOPSCCTK-KFWWJZLASA-N 1 3 281.444 1.776 20 30 CDEDHO C=CC[NH2+]CCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000382745900 943942001 /nfs/dbraw/zinc/94/20/01/943942001.db2.gz TUNQXRPSBVHIFR-INIZCTEOSA-N 1 3 273.424 1.968 20 30 CDEDHO C[NH+]1CCC(CN2CCN([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254675087 947590961 /nfs/dbraw/zinc/59/09/61/947590961.db2.gz DXTGHVSSLXEHMB-SJORKVTESA-N 1 3 290.455 1.638 20 30 CDEDHO CC[C@@H](CC#N)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246145360 947987588 /nfs/dbraw/zinc/98/75/88/947987588.db2.gz MONBARIKEXOUBB-QWHCGFSZSA-N 1 3 250.390 1.142 20 30 CDEDHO N#Cc1ccccc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246359548 948130527 /nfs/dbraw/zinc/13/05/27/948130527.db2.gz BVLXEKUXIBCARE-SFHVURJKSA-N 1 3 298.434 1.864 20 30 CDEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001493136115 971956483 /nfs/dbraw/zinc/95/64/83/971956483.db2.gz PJOIIDLZDRWJTF-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001493136115 971956489 /nfs/dbraw/zinc/95/64/89/971956489.db2.gz PJOIIDLZDRWJTF-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC#CCN(C)C ZINC001335381729 959755960 /nfs/dbraw/zinc/75/59/60/959755960.db2.gz MKZPJKAXSKFMCB-HOCLYGCPSA-N 1 3 260.381 1.306 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC001336784823 960589285 /nfs/dbraw/zinc/58/92/85/960589285.db2.gz IFAPTSMEDNWDAH-QGZVFWFLSA-N 1 3 290.382 1.936 20 30 CDEDHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC#CCN(C)C)c1 ZINC001353300544 967874995 /nfs/dbraw/zinc/87/49/95/967874995.db2.gz NJTPSTHWSUWEFZ-MRXNPFEDSA-N 1 3 290.407 1.198 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001353494466 968016365 /nfs/dbraw/zinc/01/63/65/968016365.db2.gz DRWHDJUUFHHDCJ-BFHYXJOUSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001353494466 968016377 /nfs/dbraw/zinc/01/63/77/968016377.db2.gz DRWHDJUUFHHDCJ-BFHYXJOUSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729562 968190289 /nfs/dbraw/zinc/19/02/89/968190289.db2.gz UTPKHNZNPZMHBS-HZSPNIEDSA-N 1 3 265.401 1.365 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001353729562 968190295 /nfs/dbraw/zinc/19/02/95/968190295.db2.gz UTPKHNZNPZMHBS-HZSPNIEDSA-N 1 3 265.401 1.365 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100404777 968253343 /nfs/dbraw/zinc/25/33/43/968253343.db2.gz UFEXPVFXPIMDTK-UHFFFAOYSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001502390484 974731563 /nfs/dbraw/zinc/73/15/63/974731563.db2.gz GNQNNGXLLMAXTH-CYBMUJFWSA-N 1 3 255.406 1.293 20 30 CDEDHO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001502390484 974731570 /nfs/dbraw/zinc/73/15/70/974731570.db2.gz GNQNNGXLLMAXTH-CYBMUJFWSA-N 1 3 255.406 1.293 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398543845 976028759 /nfs/dbraw/zinc/02/87/59/976028759.db2.gz ZJXMIYAUBDTBOU-AVGNSLFASA-N 1 3 287.835 1.562 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887332 1163501683 /nfs/dbraw/zinc/50/16/83/1163501683.db2.gz DLODPPPIQPRFBU-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[C@]1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516392 1170991022 /nfs/dbraw/zinc/99/10/22/1170991022.db2.gz FNWZRQNICLGHLT-RHSMWYFYSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001574603890 1170995528 /nfs/dbraw/zinc/99/55/28/1170995528.db2.gz HHFSNVFCNVKPGE-HNNXBMFYSA-N 1 3 267.417 1.069 20 30 CDEDHO C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439165 342906682 /nfs/dbraw/zinc/90/66/82/342906682.db2.gz SWJAPEODEWDZSQ-OCCSQVGLSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719848 343883215 /nfs/dbraw/zinc/88/32/15/343883215.db2.gz KAJKELSYPWMAKE-CABCVRRESA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719848 343883217 /nfs/dbraw/zinc/88/32/17/343883217.db2.gz KAJKELSYPWMAKE-CABCVRRESA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719848 343883221 /nfs/dbraw/zinc/88/32/21/343883221.db2.gz KAJKELSYPWMAKE-CABCVRRESA-N 1 3 281.444 1.997 20 30 CDEDHO C[C@@H](CCC#N)C[NH+](CCN(C)C)CCN(C)C ZINC000602655260 344517665 /nfs/dbraw/zinc/51/76/65/344517665.db2.gz GJMOTYKNDNSFRG-AWEZNQCLSA-N 1 3 254.422 1.351 20 30 CDEDHO C#C[C@H](CCC)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000491640677 347585465 /nfs/dbraw/zinc/58/54/65/347585465.db2.gz YRLNMIBSTCTQEI-OLZOCXBDSA-N 1 3 250.390 1.387 20 30 CDEDHO CNC(NCCCN1CCc2ccccc2C1)=[NH+]C ZINC000264085469 362962755 /nfs/dbraw/zinc/96/27/55/362962755.db2.gz JHALOWMBUGYUFB-UHFFFAOYSA-N 1 3 260.385 1.230 20 30 CDEDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C#N)c1 ZINC000271859925 191374542 /nfs/dbraw/zinc/37/45/42/191374542.db2.gz KCYUYKVOIZZMDF-ZDUSSCGKSA-N 1 3 273.380 1.666 20 30 CDEDHO C[C@H](CCNC(=[NH2+])N(C)C)N(C)Cc1ccccc1 ZINC000083052655 358201184 /nfs/dbraw/zinc/20/11/84/358201184.db2.gz IYXCXJYCXJJZID-CYBMUJFWSA-N 1 3 262.401 1.773 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000081731873 369992142 /nfs/dbraw/zinc/99/21/42/369992142.db2.gz HADNXPQQEJAOHP-AWEZNQCLSA-N 1 3 293.455 1.424 20 30 CDEDHO C[NH+](C)C1CCN(CCNCc2ccc(C#N)o2)CC1 ZINC000176989062 372092880 /nfs/dbraw/zinc/09/28/80/372092880.db2.gz ZFXMNWNVJGETEG-UHFFFAOYSA-N 1 3 276.384 1.267 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000177908303 372126590 /nfs/dbraw/zinc/12/65/90/372126590.db2.gz VUEOSGFQJBVYNS-IIAWOOMASA-N 1 3 265.445 1.955 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534270 377875629 /nfs/dbraw/zinc/87/56/29/377875629.db2.gz VVZWDBTZFKKDMN-KBPBESRZSA-N 1 3 294.443 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417542423 377939137 /nfs/dbraw/zinc/93/91/37/377939137.db2.gz SXHSCHYECDBKNR-UHFFFAOYSA-N 1 3 268.405 1.063 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000345322951 391134248 /nfs/dbraw/zinc/13/42/48/391134248.db2.gz RYRMTLBCTKJQCL-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO CN(C)CCOc1cc(C[NH+]=C(N(C)C)N(C)C)ccn1 ZINC000270582090 391277044 /nfs/dbraw/zinc/27/70/44/391277044.db2.gz QHLZYDRVFDOGHG-UHFFFAOYSA-N 1 3 293.415 1.001 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000345855255 391320321 /nfs/dbraw/zinc/32/03/21/391320321.db2.gz WTKJYPYJBBGRSQ-QWHCGFSZSA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000345855255 391320325 /nfs/dbraw/zinc/32/03/25/391320325.db2.gz WTKJYPYJBBGRSQ-QWHCGFSZSA-N 1 3 251.374 1.917 20 30 CDEDHO C=CCC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339658310 391320882 /nfs/dbraw/zinc/32/08/82/391320882.db2.gz RMZRROPSWGKYSC-WFVVYAPDSA-N 1 3 296.455 1.887 20 30 CDEDHO C=CCC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339658310 391320884 /nfs/dbraw/zinc/32/08/84/391320884.db2.gz RMZRROPSWGKYSC-WFVVYAPDSA-N 1 3 296.455 1.887 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000368080827 267144860 /nfs/dbraw/zinc/14/48/60/267144860.db2.gz AIRZESVPGXIFLD-JKSUJKDBSA-N 1 3 291.439 1.389 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC1(F)F ZINC000263177441 330047433 /nfs/dbraw/zinc/04/74/33/330047433.db2.gz SWKLYPRCNQCEAP-NEPJUHHUSA-N 1 3 288.386 1.810 20 30 CDEDHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424079283 330221452 /nfs/dbraw/zinc/22/14/52/330221452.db2.gz RAERHZWGLAOXBN-BXUZGUMPSA-N 1 3 274.368 1.344 20 30 CDEDHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424151002 330297078 /nfs/dbraw/zinc/29/70/78/330297078.db2.gz GWTPPZAJLWDHIE-MJBXVCDLSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424151002 330297079 /nfs/dbraw/zinc/29/70/79/330297079.db2.gz GWTPPZAJLWDHIE-MJBXVCDLSA-N 1 3 280.416 1.387 20 30 CDEDHO CN(CCNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC000424155263 330301993 /nfs/dbraw/zinc/30/19/93/330301993.db2.gz MUMBZRPCXHRSKQ-HNNXBMFYSA-N 1 3 288.395 1.256 20 30 CDEDHO C#CCN(C)CCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000491165769 332159885 /nfs/dbraw/zinc/15/98/85/332159885.db2.gz NDONDEINNWNPJF-UHFFFAOYSA-N 1 3 263.429 1.406 20 30 CDEDHO C=CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000750542489 576994801 /nfs/dbraw/zinc/99/48/01/576994801.db2.gz KAMSRKQDOLLVDI-UHFFFAOYSA-N 1 3 272.396 1.951 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000963912359 612955599 /nfs/dbraw/zinc/95/55/99/612955599.db2.gz KACZXYKLVSLRCC-QQFBHYJXSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792554 612996969 /nfs/dbraw/zinc/99/69/69/612996969.db2.gz KNZLGGCJEPALDZ-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969792554 612996970 /nfs/dbraw/zinc/99/69/70/612996970.db2.gz KNZLGGCJEPALDZ-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792528 613298819 /nfs/dbraw/zinc/29/88/19/613298819.db2.gz KEKSLEFWEZHVNG-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969792528 613298821 /nfs/dbraw/zinc/29/88/21/613298821.db2.gz KEKSLEFWEZHVNG-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977454145 613338010 /nfs/dbraw/zinc/33/80/10/613338010.db2.gz OGZIWXQFBIOIRN-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977454145 613338011 /nfs/dbraw/zinc/33/80/11/613338011.db2.gz OGZIWXQFBIOIRN-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981143790 613495705 /nfs/dbraw/zinc/49/57/05/613495705.db2.gz VASFMTLZACDNLD-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000981143790 613495706 /nfs/dbraw/zinc/49/57/06/613495706.db2.gz VASFMTLZACDNLD-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143790 613495711 /nfs/dbraw/zinc/49/57/11/613495711.db2.gz VASFMTLZACDNLD-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981143790 613495712 /nfs/dbraw/zinc/49/57/12/613495712.db2.gz VASFMTLZACDNLD-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981827892 613679952 /nfs/dbraw/zinc/67/99/52/613679952.db2.gz PVCCTQIYPBYOOH-HNNXBMFYSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891522173 617459085 /nfs/dbraw/zinc/45/90/85/617459085.db2.gz NTWMFSIDSILKNO-CABCVRRESA-N 1 3 292.427 1.173 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911846658 629585980 /nfs/dbraw/zinc/58/59/80/629585980.db2.gz QAQPKJKZIJPCRF-GFCCVEGCSA-N 1 3 257.422 1.918 20 30 CDEDHO CCC[NH+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC(C)(C)C ZINC000912509770 630049367 /nfs/dbraw/zinc/04/93/67/630049367.db2.gz QGAKEXHQVUFBBW-UONOGXRCSA-N 1 3 296.459 1.593 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2/C=C\C)CC1 ZINC000876756533 1165908587 /nfs/dbraw/zinc/90/85/87/1165908587.db2.gz UISQQGXKVGIBSA-JLHXHDPKSA-N 1 3 277.412 1.165 20 30 CDEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001734297122 1183717901 /nfs/dbraw/zinc/71/79/01/1183717901.db2.gz GMDCVEULZYXOHH-HOTGVXAUSA-N 1 3 293.455 1.423 20 30 CDEDHO C=C(C)C[N@@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001752060486 1184812491 /nfs/dbraw/zinc/81/24/91/1184812491.db2.gz TXJFXYBPTFZQIK-CQSZACIVSA-N 1 3 267.417 1.342 20 30 CDEDHO C=C(C)C[N@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001752060486 1184812493 /nfs/dbraw/zinc/81/24/93/1184812493.db2.gz TXJFXYBPTFZQIK-CQSZACIVSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CCCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001753301836 1185148329 /nfs/dbraw/zinc/14/83/29/1185148329.db2.gz OXKKBOMKDYAQBS-INIZCTEOSA-N 1 3 287.407 1.409 20 30 CDEDHO C=CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001754283649 1185550429 /nfs/dbraw/zinc/55/04/29/1185550429.db2.gz FZXLEBJSGYSPLZ-SWLSCSKDSA-N 1 3 285.407 1.479 20 30 CDEDHO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001755483717 1185965638 /nfs/dbraw/zinc/96/56/38/1185965638.db2.gz SZLHCIWIPSSVHU-JCNLHEQBSA-N 1 3 299.418 1.479 20 30 CDEDHO CC#CC[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001755502661 1185973868 /nfs/dbraw/zinc/97/38/68/1185973868.db2.gz KEDWTJRRJXHAEH-AWEZNQCLSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001755766161 1186061151 /nfs/dbraw/zinc/06/11/51/1186061151.db2.gz FFQPCCFYYVDFNF-AWEZNQCLSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996311364 735288690 /nfs/dbraw/zinc/28/86/90/735288690.db2.gz RZKWHNQQDRYZKN-CQSZACIVSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC)C2)CC1 ZINC001072095461 735359145 /nfs/dbraw/zinc/35/91/45/735359145.db2.gz IPYVYUIBYQJYJK-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC)C2)CC1 ZINC001072095461 735359147 /nfs/dbraw/zinc/35/91/47/735359147.db2.gz IPYVYUIBYQJYJK-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000303871219 735417616 /nfs/dbraw/zinc/41/76/16/735417616.db2.gz BOOTWYPITIFQGX-KGLIPLIRSA-N 1 3 284.448 1.580 20 30 CDEDHO CN(C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCCC1 ZINC000261776694 735723723 /nfs/dbraw/zinc/72/37/23/735723723.db2.gz NJJJPOGMNDFVMS-CYBMUJFWSA-N 1 3 282.432 1.334 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028294 735817843 /nfs/dbraw/zinc/81/78/43/735817843.db2.gz GYERYBSHRQXEPZ-ZDUSSCGKSA-N 1 3 279.432 1.915 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845082 735873872 /nfs/dbraw/zinc/87/38/72/735873872.db2.gz FMGWVPLCLUJYGJ-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845082 735873874 /nfs/dbraw/zinc/87/38/74/735873874.db2.gz FMGWVPLCLUJYGJ-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001018966960 736244189 /nfs/dbraw/zinc/24/41/89/736244189.db2.gz YBOJOJMHKHMPNX-UONOGXRCSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736768 736288146 /nfs/dbraw/zinc/28/81/46/736288146.db2.gz GOVDOKKXZKTRLW-GOEBONIOSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736768 736288150 /nfs/dbraw/zinc/28/81/50/736288150.db2.gz GOVDOKKXZKTRLW-GOEBONIOSA-N 1 3 291.439 1.580 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000303893241 733530317 /nfs/dbraw/zinc/53/03/17/733530317.db2.gz RVMYCOCJKBMPQB-STQMWFEESA-N 1 3 270.421 1.046 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997115575 733625628 /nfs/dbraw/zinc/62/56/28/733625628.db2.gz OEQWYULFZMLICY-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001039270143 733966811 /nfs/dbraw/zinc/96/68/11/733966811.db2.gz DPBADBPMGBMOSA-UYTSQGDYSA-N 1 3 291.439 1.768 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973383 734071369 /nfs/dbraw/zinc/07/13/69/734071369.db2.gz IVCAFCWEVZVGGP-RWMBFGLXSA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022973383 734071372 /nfs/dbraw/zinc/07/13/72/734071372.db2.gz IVCAFCWEVZVGGP-RWMBFGLXSA-N 1 3 285.819 1.318 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032411447 734083785 /nfs/dbraw/zinc/08/37/85/734083785.db2.gz PLFHHTZYCCGDFW-CBBWQLFWSA-N 1 3 277.412 1.188 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032411447 734083786 /nfs/dbraw/zinc/08/37/86/734083786.db2.gz PLFHHTZYCCGDFW-CBBWQLFWSA-N 1 3 277.412 1.188 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940213 734203000 /nfs/dbraw/zinc/20/30/00/734203000.db2.gz FXDCLBFNOHPSNS-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001032206366 734243811 /nfs/dbraw/zinc/24/38/11/734243811.db2.gz YGIJVKHYPDTUNM-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038270123 734278297 /nfs/dbraw/zinc/27/82/97/734278297.db2.gz SAJCVKQWNKOJMR-JKSUJKDBSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957988 734308341 /nfs/dbraw/zinc/30/83/41/734308341.db2.gz HIMXDVWCYMTRQW-STQMWFEESA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001026149202 734446821 /nfs/dbraw/zinc/44/68/21/734446821.db2.gz WRBSDNHNKDLMPK-NPCUJANDSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001026149202 734446825 /nfs/dbraw/zinc/44/68/25/734446825.db2.gz WRBSDNHNKDLMPK-NPCUJANDSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000985802336 734476483 /nfs/dbraw/zinc/47/64/83/734476483.db2.gz QPPAOXVJJFSONX-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000985802336 734476484 /nfs/dbraw/zinc/47/64/84/734476484.db2.gz QPPAOXVJJFSONX-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028538032 734520861 /nfs/dbraw/zinc/52/08/61/734520861.db2.gz XZXJMNFVBGRVDQ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028538032 734520864 /nfs/dbraw/zinc/52/08/64/734520864.db2.gz XZXJMNFVBGRVDQ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](C)CC1 ZINC000886574752 734657328 /nfs/dbraw/zinc/65/73/28/734657328.db2.gz RPRRIYWIDJPDPG-UHFFFAOYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc(C(=O)OC)cc1 ZINC000328126863 734686115 /nfs/dbraw/zinc/68/61/15/734686115.db2.gz UNXVXCOSHGWBOL-UHFFFAOYSA-N 1 3 274.364 1.518 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc(C(=O)OC)cc1 ZINC000328126863 734686117 /nfs/dbraw/zinc/68/61/17/734686117.db2.gz UNXVXCOSHGWBOL-UHFFFAOYSA-N 1 3 274.364 1.518 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575787 734915222 /nfs/dbraw/zinc/91/52/22/734915222.db2.gz DVZIACPDUYTGNO-LSDHHAIUSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027575787 734915225 /nfs/dbraw/zinc/91/52/25/734915225.db2.gz DVZIACPDUYTGNO-LSDHHAIUSA-N 1 3 277.412 1.027 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875546 734988541 /nfs/dbraw/zinc/98/85/41/734988541.db2.gz BTNXMTMYTFUDDG-ZNMIVQPWSA-N 1 3 279.428 1.149 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875546 734988542 /nfs/dbraw/zinc/98/85/42/734988542.db2.gz BTNXMTMYTFUDDG-ZNMIVQPWSA-N 1 3 279.428 1.149 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781909 735071764 /nfs/dbraw/zinc/07/17/64/735071764.db2.gz VDPDNDUWAUDZAJ-RFBLXINOSA-N 1 3 289.423 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781909 735071767 /nfs/dbraw/zinc/07/17/67/735071767.db2.gz VDPDNDUWAUDZAJ-RFBLXINOSA-N 1 3 289.423 1.093 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045554192 735183312 /nfs/dbraw/zinc/18/33/12/735183312.db2.gz PNNDSFYFYWWMQJ-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045554192 735183313 /nfs/dbraw/zinc/18/33/13/735183313.db2.gz PNNDSFYFYWWMQJ-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038268374 735215582 /nfs/dbraw/zinc/21/55/82/735215582.db2.gz IWDHGUOQYYVLSL-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038268374 735215585 /nfs/dbraw/zinc/21/55/85/735215585.db2.gz IWDHGUOQYYVLSL-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023130520 735251379 /nfs/dbraw/zinc/25/13/79/735251379.db2.gz RUVKVNSRGDHONV-MJBXVCDLSA-N 1 3 299.846 1.850 20 30 CDEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC000992837200 735605386 /nfs/dbraw/zinc/60/53/86/735605386.db2.gz PJZBQSXBKWJIII-AEGPPILISA-N 1 3 288.395 1.355 20 30 CDEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001039270240 736101661 /nfs/dbraw/zinc/10/16/61/736101661.db2.gz FXFUTNLJUSQQSC-WTXIUTQJSA-N 1 3 289.423 1.216 20 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/nfs/dbraw/zinc/15/64/21/912156421.db2.gz UQABBTJUBXUZLW-OBJOEFQTSA-N 1 3 274.368 1.107 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182615026 918020921 /nfs/dbraw/zinc/02/09/21/918020921.db2.gz UQQRXRQVTXWZMG-BFYDXBDKSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185723557 919731800 /nfs/dbraw/zinc/73/18/00/919731800.db2.gz NNIRADFRPQMRCY-CYBMUJFWSA-N 1 3 267.417 1.341 20 30 CDEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035796873 923047027 /nfs/dbraw/zinc/04/70/27/923047027.db2.gz PYMPPGYVLFDZFT-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101037521 936953765 /nfs/dbraw/zinc/95/37/65/936953765.db2.gz PWIUQKUZUUEWAP-UHFFFAOYSA-N 1 3 267.417 1.387 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741088 924991817 /nfs/dbraw/zinc/99/18/17/924991817.db2.gz PFHRKWSYMBZHOB-KWCYVHTRSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741088 924991824 /nfs/dbraw/zinc/99/18/24/924991824.db2.gz PFHRKWSYMBZHOB-KWCYVHTRSA-N 1 3 299.846 1.660 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001082942034 925036329 /nfs/dbraw/zinc/03/63/29/925036329.db2.gz ZWBIFEVXCRBGKO-KFWWJZLASA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788110 925859605 /nfs/dbraw/zinc/85/96/05/925859605.db2.gz LQAVBNPCKGMFGJ-OAHLLOKOSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701342 926301064 /nfs/dbraw/zinc/30/10/64/926301064.db2.gz MOBQJANWGDGEPP-OAHLLOKOSA-N 1 3 296.374 1.504 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701342 926301075 /nfs/dbraw/zinc/30/10/75/926301075.db2.gz MOBQJANWGDGEPP-OAHLLOKOSA-N 1 3 296.374 1.504 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202166549 926485746 /nfs/dbraw/zinc/48/57/46/926485746.db2.gz WFGLIEYERPISSF-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567225 929184410 /nfs/dbraw/zinc/18/44/10/929184410.db2.gz CUIJNLLOPFGHMU-RDJZCZTQSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001152148472 937339572 /nfs/dbraw/zinc/33/95/72/937339572.db2.gz QELHMQFGJWMNKN-STQMWFEESA-N 1 3 253.390 1.141 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152451626 937362951 /nfs/dbraw/zinc/36/29/51/937362951.db2.gz BADFYVDTSYLRQH-CYBMUJFWSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171254557 932143850 /nfs/dbraw/zinc/14/38/50/932143850.db2.gz UJFKYEAMBYMEJK-ZFWWWQNUSA-N 1 3 281.444 1.777 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246659087 932196035 /nfs/dbraw/zinc/19/60/35/932196035.db2.gz QUDIWOJSHCWYKA-VBNZEHGJSA-N 1 3 255.365 1.912 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246659087 932196040 /nfs/dbraw/zinc/19/60/40/932196040.db2.gz QUDIWOJSHCWYKA-VBNZEHGJSA-N 1 3 255.365 1.912 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001120536941 937807643 /nfs/dbraw/zinc/80/76/43/937807643.db2.gz SQNVDGPMGKUBGL-HUUCEWRRSA-N 1 3 294.443 1.100 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001121971352 937895483 /nfs/dbraw/zinc/89/54/83/937895483.db2.gz ABQMRBFWLLVGRN-ILXRZTDVSA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001121971352 937895485 /nfs/dbraw/zinc/89/54/85/937895485.db2.gz ABQMRBFWLLVGRN-ILXRZTDVSA-N 1 3 279.428 1.613 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159993305 938763955 /nfs/dbraw/zinc/76/39/55/938763955.db2.gz WTDHHKYKADFRAM-UHFFFAOYSA-N 1 3 273.808 1.319 20 30 CDEDHO C=C(C)CN(CC)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160687837 938814378 /nfs/dbraw/zinc/81/43/78/938814378.db2.gz JHOJAWQQXDVOSY-CYBMUJFWSA-N 1 3 265.401 1.285 20 30 CDEDHO C=C(C)CN(CC)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160687837 938814380 /nfs/dbraw/zinc/81/43/80/938814380.db2.gz JHOJAWQQXDVOSY-CYBMUJFWSA-N 1 3 265.401 1.285 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253922 939534373 /nfs/dbraw/zinc/53/43/73/939534373.db2.gz LHBAXJSOZORXGI-UHFFFAOYSA-N 1 3 273.808 1.177 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464574 939566612 /nfs/dbraw/zinc/56/66/12/939566612.db2.gz GMNYOHVKXSRQGF-UHFFFAOYSA-N 1 3 291.439 1.370 20 30 CDEDHO C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204798808 939792069 /nfs/dbraw/zinc/79/20/69/939792069.db2.gz ONASTZPAVCKQQF-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457569 939891077 /nfs/dbraw/zinc/89/10/77/939891077.db2.gz FHNRGQMBTZTGFV-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210175284 940669391 /nfs/dbraw/zinc/66/93/91/940669391.db2.gz MIAMAIQFSUKNBC-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO Cc1cc(C#N)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)s1 ZINC001218554466 941236097 /nfs/dbraw/zinc/23/60/97/941236097.db2.gz JRUMQNSGNMLCAD-NSHDSACASA-N 1 3 278.381 1.194 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223473017 941679990 /nfs/dbraw/zinc/67/99/90/941679990.db2.gz ZZXMGZGDPCNXTN-MRXNPFEDSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001224582999 941773091 /nfs/dbraw/zinc/77/30/91/941773091.db2.gz HHHFGATYNOCJRO-HNNXBMFYSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225285331 941839132 /nfs/dbraw/zinc/83/91/32/941839132.db2.gz LPWODXFHQAZUIM-UHFFFAOYSA-N 1 3 288.395 1.112 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001225543508 941876786 /nfs/dbraw/zinc/87/67/86/941876786.db2.gz VGBNTWOHSYQDML-GASCZTMLSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226931911 942096354 /nfs/dbraw/zinc/09/63/54/942096354.db2.gz FBGUIYQUXATVNI-KFWWJZLASA-N 1 3 279.428 1.223 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227797898 942225744 /nfs/dbraw/zinc/22/57/44/942225744.db2.gz OVLIXXPEAIQZOZ-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001316604426 942462646 /nfs/dbraw/zinc/46/26/46/942462646.db2.gz MASIXCZXFFVBOH-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001316604426 942462647 /nfs/dbraw/zinc/46/26/47/942462647.db2.gz MASIXCZXFFVBOH-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230354484 942610688 /nfs/dbraw/zinc/61/06/88/942610688.db2.gz BPBWMQVOBADKPG-UHFFFAOYSA-N 1 3 279.428 1.629 20 30 CDEDHO C#CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678156 948390361 /nfs/dbraw/zinc/39/03/61/948390361.db2.gz SGPTZKVPTCAOMN-UHFFFAOYSA-N 1 3 250.386 1.633 20 30 CDEDHO N#C[C@@H]1C[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934869 948530076 /nfs/dbraw/zinc/53/00/76/948530076.db2.gz CJDNGDZNXLXXFB-VYDXJSESSA-N 1 3 290.455 1.875 20 30 CDEDHO N#C[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934869 948530083 /nfs/dbraw/zinc/53/00/83/948530083.db2.gz CJDNGDZNXLXXFB-VYDXJSESSA-N 1 3 290.455 1.875 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001340853568 963156795 /nfs/dbraw/zinc/15/67/95/963156795.db2.gz OCCWLWIGDXRSRA-AAEUAGOBSA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001340853568 963156798 /nfs/dbraw/zinc/15/67/98/963156798.db2.gz OCCWLWIGDXRSRA-AAEUAGOBSA-N 1 3 253.390 1.269 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001341488686 963434634 /nfs/dbraw/zinc/43/46/34/963434634.db2.gz NLMGKQFGFCATFF-OLZOCXBDSA-N 1 3 257.422 1.870 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001343489915 964007739 /nfs/dbraw/zinc/00/77/39/964007739.db2.gz ZNOZOYFLJIFLJD-QNWHQSFQSA-N 1 3 253.390 1.173 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC001343505671 964013216 /nfs/dbraw/zinc/01/32/16/964013216.db2.gz AWWLJHHQZMYTGX-IHRRRGAJSA-N 1 3 267.417 1.551 20 30 CDEDHO C=CCOCC[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683435 968942194 /nfs/dbraw/zinc/94/21/94/968942194.db2.gz AZRUPCLCKUENOJ-NRXISQOPSA-N 1 3 297.443 1.014 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611584608 346826128 /nfs/dbraw/zinc/82/61/28/346826128.db2.gz BSHLOXVJSGOVNX-FRRDWIJNSA-N 1 3 263.385 1.915 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584608 346826131 /nfs/dbraw/zinc/82/61/31/346826131.db2.gz BSHLOXVJSGOVNX-FRRDWIJNSA-N 1 3 263.385 1.915 20 30 CDEDHO CN(C[C@@H](O)CC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000598618399 343843813 /nfs/dbraw/zinc/84/38/13/343843813.db2.gz XPFFCPZAXHPBDC-IXXDHKBRSA-N 1 3 279.428 1.844 20 30 CDEDHO CN(C[C@@H](O)CC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000598618399 343843815 /nfs/dbraw/zinc/84/38/15/343843815.db2.gz XPFFCPZAXHPBDC-IXXDHKBRSA-N 1 3 279.428 1.844 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccn1 ZINC000264123919 362973712 /nfs/dbraw/zinc/97/37/12/362973712.db2.gz RQNMOIWFMYYBFD-AWEZNQCLSA-N 1 3 275.400 1.013 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494707951 366510731 /nfs/dbraw/zinc/51/07/31/366510731.db2.gz IIJFZCDGSQCCBB-ZDUSSCGKSA-N 1 3 265.401 1.285 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000165196261 363625918 /nfs/dbraw/zinc/62/59/18/363625918.db2.gz XIFYKZXVABRZTG-HOTGVXAUSA-N 1 3 293.455 1.801 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])Nc1ccccn1)N1CCCC1 ZINC000170912878 365162359 /nfs/dbraw/zinc/16/23/59/365162359.db2.gz OWCNYNLZUMEDCL-LBPRGKRZSA-N 1 3 261.373 1.683 20 30 CDEDHO C[NH+]1CCC(N2CCC(Nc3ncccc3C#N)CC2)CC1 ZINC000299474495 373908934 /nfs/dbraw/zinc/90/89/34/373908934.db2.gz UWTQOIFSCRJTSD-UHFFFAOYSA-N 1 3 299.422 1.924 20 30 CDEDHO CC(C)CNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000104162971 390486204 /nfs/dbraw/zinc/48/62/04/390486204.db2.gz SNRDISVCPVYMCW-UHFFFAOYSA-N 1 3 292.427 1.687 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362801003 391132824 /nfs/dbraw/zinc/13/28/24/391132824.db2.gz JYLSNCKOPSOHAP-ZFWWWQNUSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362801003 391132827 /nfs/dbraw/zinc/13/28/27/391132827.db2.gz JYLSNCKOPSOHAP-ZFWWWQNUSA-N 1 3 279.428 1.341 20 30 CDEDHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000219309845 140167216 /nfs/dbraw/zinc/16/72/16/140167216.db2.gz DXMHCROVGHYAJX-CYBMUJFWSA-N 1 3 261.369 1.787 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1nccs1 ZINC000273355933 263016086 /nfs/dbraw/zinc/01/60/86/263016086.db2.gz BYUCPUWRAHXMCM-VXGBXAGGSA-N 1 3 295.456 1.635 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000165201013 264210363 /nfs/dbraw/zinc/21/03/63/264210363.db2.gz VXBONYRNEWTCNJ-JKSUJKDBSA-N 1 3 293.455 1.943 20 30 CDEDHO Cn1cc(C[NH2+]CCCCN2CCN(C)CC2)cc1C#N ZINC000579905522 324310405 /nfs/dbraw/zinc/31/04/05/324310405.db2.gz ZCTBDLBWDGBKAG-UHFFFAOYSA-N 1 3 289.427 1.014 20 30 CDEDHO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000357792846 327177214 /nfs/dbraw/zinc/17/72/14/327177214.db2.gz BSDUKESEQFJJQV-GFCCVEGCSA-N 1 3 259.353 1.914 20 30 CDEDHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000357792846 327177215 /nfs/dbraw/zinc/17/72/15/327177215.db2.gz BSDUKESEQFJJQV-GFCCVEGCSA-N 1 3 259.353 1.914 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000187805147 329360948 /nfs/dbraw/zinc/36/09/48/329360948.db2.gz PTKDMGQLAHZPBG-AWEZNQCLSA-N 1 3 294.443 1.230 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CC(F)(F)C1 ZINC000263275484 330051362 /nfs/dbraw/zinc/05/13/62/330051362.db2.gz QGSVNFFGJDQPCD-JTQLQIEISA-N 1 3 260.332 1.173 20 30 CDEDHO CN(CCNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC000424155264 330301975 /nfs/dbraw/zinc/30/19/75/330301975.db2.gz MUMBZRPCXHRSKQ-OAHLLOKOSA-N 1 3 288.395 1.256 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000491554981 332237240 /nfs/dbraw/zinc/23/72/40/332237240.db2.gz NWNNJEBVOWNVND-SHTZXODSSA-N 1 3 294.443 1.006 20 30 CDEDHO C=CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754944852 1159491497 /nfs/dbraw/zinc/49/14/97/1159491497.db2.gz MAZGEFAPZCSFKH-AWEZNQCLSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001753410476 1185192274 /nfs/dbraw/zinc/19/22/74/1185192274.db2.gz YEGLHJQTVOBBSC-OAHLLOKOSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000764608137 575925433 /nfs/dbraw/zinc/92/54/33/575925433.db2.gz BNURSJFPZCNCRK-OLZOCXBDSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000747403917 576868764 /nfs/dbraw/zinc/86/87/64/576868764.db2.gz APDGGVJHWSHZGY-HUUCEWRRSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000965062925 612954252 /nfs/dbraw/zinc/95/42/52/612954252.db2.gz IQHUNUBBYPMPJL-HOUHCIJLSA-N 1 3 289.423 1.121 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600552 613341721 /nfs/dbraw/zinc/34/17/21/613341721.db2.gz NXZJKXMBJPYHNJ-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977600552 613341722 /nfs/dbraw/zinc/34/17/22/613341722.db2.gz NXZJKXMBJPYHNJ-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485044 613350873 /nfs/dbraw/zinc/35/08/73/613350873.db2.gz FYXLZLGENMNESA-KBPBESRZSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971711987 613611220 /nfs/dbraw/zinc/61/12/20/613611220.db2.gz HVWKMPFSLYLDTF-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971711987 613611224 /nfs/dbraw/zinc/61/12/24/613611224.db2.gz HVWKMPFSLYLDTF-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154957 613630779 /nfs/dbraw/zinc/63/07/79/613630779.db2.gz RFJPIXRRSZYOOC-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972154957 613630783 /nfs/dbraw/zinc/63/07/83/613630783.db2.gz RFJPIXRRSZYOOC-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(CC=C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716645 626061446 /nfs/dbraw/zinc/06/14/46/626061446.db2.gz APRQBJUMFANTDA-CQSZACIVSA-N 1 3 250.386 1.819 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911755011 629473807 /nfs/dbraw/zinc/47/38/07/629473807.db2.gz XBPGTIXKGZPYKP-WCQYABFASA-N 1 3 253.390 1.256 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232804 1158546364 /nfs/dbraw/zinc/54/63/64/1158546364.db2.gz QLBGRBXKAAAGHU-HNNXBMFYSA-N 1 3 291.439 1.228 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101438546 1160394414 /nfs/dbraw/zinc/39/44/14/1160394414.db2.gz FDCWRTUYEYLCSE-ZBFHGGJFSA-N 1 3 279.428 1.295 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101438546 1160394421 /nfs/dbraw/zinc/39/44/21/1160394421.db2.gz FDCWRTUYEYLCSE-ZBFHGGJFSA-N 1 3 279.428 1.295 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135008 1163578833 /nfs/dbraw/zinc/57/88/33/1163578833.db2.gz JSTXPABNSBPSST-ZIAGYGMSSA-N 1 3 288.395 1.050 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114438460 1165028205 /nfs/dbraw/zinc/02/82/05/1165028205.db2.gz BXZGNDLEPSPHJE-YJNKXOJESA-N 1 3 279.428 1.195 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C1(F)CC[NH2+]CC1 ZINC001574921166 1171049159 /nfs/dbraw/zinc/04/91/59/1171049159.db2.gz TTZZLMLIIPTGNU-UHFFFAOYSA-N 1 3 271.380 1.044 20 30 CDEDHO CC#CC[C@H](N)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001574961971 1171063341 /nfs/dbraw/zinc/06/33/41/1171063341.db2.gz CBJPTXUBWIZRIH-KBPBESRZSA-N 1 3 267.417 1.354 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001662644776 1172574973 /nfs/dbraw/zinc/57/49/73/1172574973.db2.gz FCUCVWXNTOXOJF-UONOGXRCSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001752484726 1184870139 /nfs/dbraw/zinc/87/01/39/1184870139.db2.gz REBZLPPGMZQPKS-UKRRQHHQSA-N 1 3 279.428 1.389 20 30 CDEDHO C=CCC[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001752855036 1184934519 /nfs/dbraw/zinc/93/45/19/1184934519.db2.gz GBNLOSZBASCCKR-UHFFFAOYSA-N 1 3 281.444 1.920 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001753683649 1185299002 /nfs/dbraw/zinc/29/90/02/1185299002.db2.gz OTSIYCCEIPXSPS-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001754683137 1185704923 /nfs/dbraw/zinc/70/49/23/1185704923.db2.gz HWTHJJQFKASHRB-INIZCTEOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001754683137 1185704934 /nfs/dbraw/zinc/70/49/34/1185704934.db2.gz HWTHJJQFKASHRB-INIZCTEOSA-N 1 3 281.444 1.875 20 30 CDEDHO CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754808081 1185736293 /nfs/dbraw/zinc/73/62/93/1185736293.db2.gz XKMCPWMEPVEREC-LSDHHAIUSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001755110890 1185820363 /nfs/dbraw/zinc/82/03/63/1185820363.db2.gz VFBBXOFFCJEPSM-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001755845791 1186088874 /nfs/dbraw/zinc/08/88/74/1186088874.db2.gz YQZQNJMAIFWISK-OAHLLOKOSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829441 736651224 /nfs/dbraw/zinc/65/12/24/736651224.db2.gz FSJVSJPYLDDZLF-UKRRQHHQSA-N 1 3 288.395 1.451 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829441 736651226 /nfs/dbraw/zinc/65/12/26/736651226.db2.gz FSJVSJPYLDDZLF-UKRRQHHQSA-N 1 3 288.395 1.451 20 30 CDEDHO CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970354 736654992 /nfs/dbraw/zinc/65/49/92/736654992.db2.gz ARWOGUGWWUZRFU-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970354 736654995 /nfs/dbraw/zinc/65/49/95/736654995.db2.gz ARWOGUGWWUZRFU-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001021094558 736693623 /nfs/dbraw/zinc/69/36/23/736693623.db2.gz SNLZLTYXIYXEMI-MGPQQGTHSA-N 1 3 265.401 1.284 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014501289 736683551 /nfs/dbraw/zinc/68/35/51/736683551.db2.gz ITOWRURJJPHIDC-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014501289 736683554 /nfs/dbraw/zinc/68/35/54/736683554.db2.gz ITOWRURJJPHIDC-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001031665809 737275595 /nfs/dbraw/zinc/27/55/95/737275595.db2.gz HZNXEHDPRCFCJC-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989491423 737738679 /nfs/dbraw/zinc/73/86/79/737738679.db2.gz GKCPORUCFUACNC-DGCLKSJQSA-N 1 3 262.357 1.107 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564886 737902168 /nfs/dbraw/zinc/90/21/68/737902168.db2.gz HZXWOVGOUWWRNH-RDJZCZTQSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046564886 737902175 /nfs/dbraw/zinc/90/21/75/737902175.db2.gz HZXWOVGOUWWRNH-RDJZCZTQSA-N 1 3 293.455 1.875 20 30 CDEDHO CC(C)NC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000198936842 738811139 /nfs/dbraw/zinc/81/11/39/738811139.db2.gz AZPFUXVQEVBTMD-OCCSQVGLSA-N 1 3 254.422 1.810 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001019466091 738878241 /nfs/dbraw/zinc/87/82/41/738878241.db2.gz QNJQFZRRAAZQFW-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033661058 738902002 /nfs/dbraw/zinc/90/20/02/738902002.db2.gz KLQBCGZRKQCMBH-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033661058 738902010 /nfs/dbraw/zinc/90/20/10/738902010.db2.gz KLQBCGZRKQCMBH-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832444 736502440 /nfs/dbraw/zinc/50/24/40/736502440.db2.gz KAOAMXSGEYOMAY-HNNXBMFYSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832444 736502446 /nfs/dbraw/zinc/50/24/46/736502446.db2.gz KAOAMXSGEYOMAY-HNNXBMFYSA-N 1 3 291.439 1.130 20 30 CDEDHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886010434 736622773 /nfs/dbraw/zinc/62/27/73/736622773.db2.gz JDRCSSRGTVAPAO-UONOGXRCSA-N 1 3 265.401 1.315 20 30 CDEDHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886010434 736622776 /nfs/dbraw/zinc/62/27/76/736622776.db2.gz JDRCSSRGTVAPAO-UONOGXRCSA-N 1 3 265.401 1.315 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027970354 736654985 /nfs/dbraw/zinc/65/49/85/736654985.db2.gz ARWOGUGWWUZRFU-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001027970354 736654989 /nfs/dbraw/zinc/65/49/89/736654989.db2.gz ARWOGUGWWUZRFU-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857843 738950992 /nfs/dbraw/zinc/95/09/92/738950992.db2.gz OHLGFYCYFHAHOV-KGLIPLIRSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC000987257381 737232890 /nfs/dbraw/zinc/23/28/90/737232890.db2.gz WJOCXYNIXMNBAM-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)cc1 ZINC000304748737 737469741 /nfs/dbraw/zinc/46/97/41/737469741.db2.gz HHZRRRPBZBSCRD-INIZCTEOSA-N 1 3 288.439 1.926 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C(C)C)C2)CC1 ZINC001046850515 738042087 /nfs/dbraw/zinc/04/20/87/738042087.db2.gz VKXRKFYBEJARII-KRWDZBQOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](C(C)C)C2)CC1 ZINC001046850515 738042089 /nfs/dbraw/zinc/04/20/89/738042089.db2.gz VKXRKFYBEJARII-KRWDZBQOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940671 738115644 /nfs/dbraw/zinc/11/56/44/738115644.db2.gz JXHMFZBIQOLMET-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO N#Cc1ccc(NCCNC2CC[NH+](C3CC3)CC2)nc1 ZINC000927168185 739042894 /nfs/dbraw/zinc/04/28/94/739042894.db2.gz QFMNCDKQNGYOTR-UHFFFAOYSA-N 1 3 285.395 1.582 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOCCC(C)C ZINC000303863692 739157300 /nfs/dbraw/zinc/15/73/00/739157300.db2.gz AMTSCIHMUQGHTM-CQSZACIVSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001574902601 1167641929 /nfs/dbraw/zinc/64/19/29/1167641929.db2.gz DCYSLUPVZGPHAW-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO CC#CC[C@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001574971870 1167643322 /nfs/dbraw/zinc/64/33/22/1167643322.db2.gz JFNLMUNQGKLUMK-CABCVRRESA-N 1 3 279.428 1.498 20 30 CDEDHO CC#CC[C@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001574971870 1167643326 /nfs/dbraw/zinc/64/33/26/1167643326.db2.gz JFNLMUNQGKLUMK-CABCVRRESA-N 1 3 279.428 1.498 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104347213 895876548 /nfs/dbraw/zinc/87/65/48/895876548.db2.gz SRMWAILGJCBPQW-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633418 914081142 /nfs/dbraw/zinc/08/11/42/914081142.db2.gz KLLRKWFWFXRENJ-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665376 914116208 /nfs/dbraw/zinc/11/62/08/914116208.db2.gz UMYNWKNCZIBGPJ-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001270919486 905447954 /nfs/dbraw/zinc/44/79/54/905447954.db2.gz LBLBMFWEPPGGPI-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001088384137 907077159 /nfs/dbraw/zinc/07/71/59/907077159.db2.gz XRNNVRHLRSPZPL-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609142 915904029 /nfs/dbraw/zinc/90/40/29/915904029.db2.gz KODRLYOPDOMNAV-HNNXBMFYSA-N 1 3 281.444 1.616 20 30 CDEDHO CC[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)N1CCCC1 ZINC000303887015 935047058 /nfs/dbraw/zinc/04/70/58/935047058.db2.gz KQJVUAZCMFIBFO-UONOGXRCSA-N 1 3 266.433 1.907 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001001469786 936552312 /nfs/dbraw/zinc/55/23/12/936552312.db2.gz ZLKDUKKNXAJOBC-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185206795 919478096 /nfs/dbraw/zinc/47/80/96/919478096.db2.gz VYMOWCSBNOWCCA-OLZOCXBDSA-N 1 3 276.384 1.212 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186488727 920036043 /nfs/dbraw/zinc/03/60/43/920036043.db2.gz UBRSFHIESJDCNQ-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028378 936706873 /nfs/dbraw/zinc/70/68/73/936706873.db2.gz MUMCFPPCOYKSDE-KBPBESRZSA-N 1 3 291.439 1.674 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC)C2)CC1 ZINC001034539063 922665958 /nfs/dbraw/zinc/66/59/58/922665958.db2.gz UYYGHMOSRHBWOF-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CC)C2)CC1 ZINC001034539063 922665970 /nfs/dbraw/zinc/66/59/70/922665970.db2.gz UYYGHMOSRHBWOF-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099334198 936785428 /nfs/dbraw/zinc/78/54/28/936785428.db2.gz FUAFPNQVIDWHNM-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786277 924637097 /nfs/dbraw/zinc/63/70/97/924637097.db2.gz FHZBHBIXAKMIGY-ZIAGYGMSSA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600870 937067963 /nfs/dbraw/zinc/06/79/63/937067963.db2.gz ZLJFYMSMJBWCKI-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600870 937067966 /nfs/dbraw/zinc/06/79/66/937067966.db2.gz ZLJFYMSMJBWCKI-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C(C)C)CC1 ZINC001085986364 926566512 /nfs/dbraw/zinc/56/65/12/926566512.db2.gz BITZXTBUXDEUPI-MRXNPFEDSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C(C)C)CC1 ZINC001085986364 926566520 /nfs/dbraw/zinc/56/65/20/926566520.db2.gz BITZXTBUXDEUPI-MRXNPFEDSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103158005 937125697 /nfs/dbraw/zinc/12/56/97/937125697.db2.gz NVANYXVAPFIAQD-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103158005 937125698 /nfs/dbraw/zinc/12/56/98/937125698.db2.gz NVANYXVAPFIAQD-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754790 937153891 /nfs/dbraw/zinc/15/38/91/937153891.db2.gz XYCJWBDEYZPWNW-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754790 937153893 /nfs/dbraw/zinc/15/38/93/937153893.db2.gz XYCJWBDEYZPWNW-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108784030 928635968 /nfs/dbraw/zinc/63/59/68/928635968.db2.gz HVTDTKWICOZGSP-ZNMIVQPWSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135981017 930581269 /nfs/dbraw/zinc/58/12/69/930581269.db2.gz WILXXYBGHLPICY-ZIAGYGMSSA-N 1 3 267.417 1.224 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153850831 937476970 /nfs/dbraw/zinc/47/69/70/937476970.db2.gz GKLUYSDHDZQOJF-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153850831 937476971 /nfs/dbraw/zinc/47/69/71/937476971.db2.gz GKLUYSDHDZQOJF-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854518 937477364 /nfs/dbraw/zinc/47/73/64/937477364.db2.gz GXNFZWYAZOCUJN-CQSZACIVSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854518 937477365 /nfs/dbraw/zinc/47/73/65/937477365.db2.gz GXNFZWYAZOCUJN-CQSZACIVSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154473727 937547744 /nfs/dbraw/zinc/54/77/44/937547744.db2.gz NZTCSYPOZAJDCK-OAHLLOKOSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236567 932079316 /nfs/dbraw/zinc/07/93/16/932079316.db2.gz NOZQUDIOBCRMNX-OAHLLOKOSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146602335 932269556 /nfs/dbraw/zinc/26/95/56/932269556.db2.gz SDAURNZFMJAAPY-ZIAGYGMSSA-N 1 3 269.433 1.776 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593861 932269622 /nfs/dbraw/zinc/26/96/22/932269622.db2.gz QSOKIXCZZDHLAJ-UONOGXRCSA-N 1 3 267.417 1.223 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367426 932881735 /nfs/dbraw/zinc/88/17/35/932881735.db2.gz MBMMKGWWPTUVSW-GJZGRUSLSA-N 1 3 281.444 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001121921632 937890890 /nfs/dbraw/zinc/89/08/90/937890890.db2.gz SFTBRTDBAWFNCX-UONOGXRCSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001121921632 937890891 /nfs/dbraw/zinc/89/08/91/937890891.db2.gz SFTBRTDBAWFNCX-UONOGXRCSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001121930602 937891516 /nfs/dbraw/zinc/89/15/16/937891516.db2.gz NTGRJBCEMWAOFL-LSDHHAIUSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001122020220 937899775 /nfs/dbraw/zinc/89/97/75/937899775.db2.gz FFZLTSOQQCFISN-LSDHHAIUSA-N 1 3 279.428 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426647 937931374 /nfs/dbraw/zinc/93/13/74/937931374.db2.gz LGAFKUQAVMLDFM-QJPTWQEYSA-N 1 3 251.374 1.056 20 30 CDEDHO C[C@H](N)c1ccn(-c2ncc3c(c2C#N)CCC[NH2+]C3)n1 ZINC001158344474 938610838 /nfs/dbraw/zinc/61/08/38/938610838.db2.gz CZVRVTMMZCKZOO-JTQLQIEISA-N 1 3 282.351 1.194 20 30 CDEDHO N#Cc1c(Cl)nccc1C(F)(F)N[C@@H](N)CCC[NH3+] ZINC001159778913 938752084 /nfs/dbraw/zinc/75/20/84/938752084.db2.gz BSOGHNGOSXSZMZ-SECBINFHSA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626780 939620545 /nfs/dbraw/zinc/62/05/45/939620545.db2.gz JDKOKAOHCRNIDJ-CQSZACIVSA-N 1 3 267.417 1.533 20 30 CDEDHO C=C(Cl)CNCC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971137 939664144 /nfs/dbraw/zinc/66/41/44/939664144.db2.gz IVIGYTMZFARQAG-UHFFFAOYSA-N 1 3 287.835 1.567 20 30 CDEDHO N#Cc1cccc(CN2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205581443 939905846 /nfs/dbraw/zinc/90/58/46/939905846.db2.gz UDUHSXGQPTZQIT-AWEZNQCLSA-N 1 3 262.332 1.606 20 30 CDEDHO C[C@@]1(C[NH3+])CCCN(Cc2cc(C#N)ccn2)CC1 ZINC001206317504 940016969 /nfs/dbraw/zinc/01/69/69/940016969.db2.gz GLEKPBVUOSJQLM-OAHLLOKOSA-N 1 3 258.369 1.904 20 30 CDEDHO C=CCCCN(CCC[NH+](C)C)CCC(=O)OC ZINC001209162199 940442035 /nfs/dbraw/zinc/44/20/35/940442035.db2.gz VKDZGQJKGUPARB-UHFFFAOYSA-N 1 3 256.390 1.769 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+]C1CCN(CCC)CC1 ZINC001258766010 945404627 /nfs/dbraw/zinc/40/46/27/945404627.db2.gz HYFSPQNGNIRZNC-UHFFFAOYSA-N 1 3 254.374 1.570 20 30 CDEDHO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533914 947513133 /nfs/dbraw/zinc/51/31/33/947513133.db2.gz RHCOEDQQSUBALJ-LSDHHAIUSA-N 1 3 295.427 1.847 20 30 CDEDHO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254533914 947513139 /nfs/dbraw/zinc/51/31/39/947513139.db2.gz RHCOEDQQSUBALJ-LSDHHAIUSA-N 1 3 295.427 1.847 20 30 CDEDHO C=C(C)C(=O)NCCC[NH2+]C1CCN(CC(C)C)CC1 ZINC001258003012 948675394 /nfs/dbraw/zinc/67/53/94/948675394.db2.gz UAAFFNYUERVJGE-UHFFFAOYSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252465311 951309624 /nfs/dbraw/zinc/30/96/24/951309624.db2.gz DRJULSOBDNAJOX-DLBZAZTESA-N 1 3 296.455 1.890 20 30 CDEDHO C=CCOC[C@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252465311 951309635 /nfs/dbraw/zinc/30/96/35/951309635.db2.gz DRJULSOBDNAJOX-DLBZAZTESA-N 1 3 296.455 1.890 20 30 CDEDHO CC(C)(C)[NH2+]C[C@@H](O)CNCCCCCCS ZINC001253411441 951896607 /nfs/dbraw/zinc/89/66/07/951896607.db2.gz MVCHCXCFNGSVFR-LBPRGKRZSA-N 1 3 262.463 1.815 20 30 CDEDHO CC(C)(C)NC[C@@H](O)C[NH2+]CCCCCCS ZINC001253411441 951896618 /nfs/dbraw/zinc/89/66/18/951896618.db2.gz MVCHCXCFNGSVFR-LBPRGKRZSA-N 1 3 262.463 1.815 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001358259676 969714809 /nfs/dbraw/zinc/71/48/09/969714809.db2.gz RDQRKXWVRKKCDY-MGPQQGTHSA-N 1 3 269.433 1.870 20 30 CDEDHO C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001508146382 975622341 /nfs/dbraw/zinc/62/23/41/975622341.db2.gz ZKWFQPUKZWFBGT-YMAMQOFZSA-N 1 3 279.428 1.175 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001390610833 976389574 /nfs/dbraw/zinc/38/95/74/976389574.db2.gz UPSNZXVCPJXNSK-CYBMUJFWSA-N 1 3 287.835 1.519 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133276191 1163623882 /nfs/dbraw/zinc/62/38/82/1163623882.db2.gz ZTGRZIZTOODQLU-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001570534500 1170181339 /nfs/dbraw/zinc/18/13/39/1170181339.db2.gz KRNGKRCUPIOWLC-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001570534500 1170181342 /nfs/dbraw/zinc/18/13/42/1170181342.db2.gz KRNGKRCUPIOWLC-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574852436 1171025296 /nfs/dbraw/zinc/02/52/96/1171025296.db2.gz SNOHMXFKEQZPOS-QWHCGFSZSA-N 1 3 285.819 1.589 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001574852436 1171025307 /nfs/dbraw/zinc/02/53/07/1171025307.db2.gz SNOHMXFKEQZPOS-QWHCGFSZSA-N 1 3 285.819 1.589 20 30 CDEDHO CC(C)[C@H]([NH3+])CCN(C)C[C@H](O)CC1(C#N)CCC1 ZINC001575452072 1171176575 /nfs/dbraw/zinc/17/65/75/1171176575.db2.gz BWQBXHOSEPYWRE-ZIAGYGMSSA-N 1 3 267.417 1.736 20 30 CDEDHO C[C@@H](CCNC(=[NH2+])NC1CC1)N(C)Cc1ccccc1 ZINC000081781052 342373760 /nfs/dbraw/zinc/37/37/60/342373760.db2.gz JKSFSCOSIPICFP-ZDUSSCGKSA-N 1 3 274.412 1.964 20 30 CDEDHO C[C@@H](CCC#N)C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000602655940 344518609 /nfs/dbraw/zinc/51/86/09/344518609.db2.gz IOWLQSPJKRUQQA-INIZCTEOSA-N 1 3 292.471 1.886 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449548013 362755930 /nfs/dbraw/zinc/75/59/30/362755930.db2.gz KQUKFPLMCZDAEK-TUVASFSCSA-N 1 3 250.386 1.936 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449548013 362755936 /nfs/dbraw/zinc/75/59/36/362755936.db2.gz KQUKFPLMCZDAEK-TUVASFSCSA-N 1 3 250.386 1.936 20 30 CDEDHO CC[C@H](CNC(NCc1ccco1)=[NH+]C)N1CCCC1 ZINC000264050916 362952772 /nfs/dbraw/zinc/95/27/72/362952772.db2.gz MJSMRTWYSRFTNZ-CYBMUJFWSA-N 1 3 278.400 1.819 20 30 CDEDHO C=CCNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264087083 362962695 /nfs/dbraw/zinc/96/26/95/362962695.db2.gz JVSOHMIZLMQHQJ-UHFFFAOYSA-N 1 3 276.384 1.217 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621646457 350688851 /nfs/dbraw/zinc/68/88/51/350688851.db2.gz WNHXSGALFOZHTA-AWEZNQCLSA-N 1 3 279.428 1.533 20 30 CDEDHO CCN(CC)C(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179737800 357222850 /nfs/dbraw/zinc/22/28/50/357222850.db2.gz BKFFLKDAOJJSLO-UHFFFAOYSA-N 1 3 289.427 1.955 20 30 CDEDHO N#Cc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000573371582 364045369 /nfs/dbraw/zinc/04/53/69/364045369.db2.gz SLYSTWLQCZNNSP-MRXNPFEDSA-N 1 3 285.391 1.746 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)noc1C ZINC000170911435 365161013 /nfs/dbraw/zinc/16/10/13/365161013.db2.gz ZXAQAXQHZCKFMZ-GFCCVEGCSA-N 1 3 279.388 1.180 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652146945 412830691 /nfs/dbraw/zinc/83/06/91/412830691.db2.gz CQOLFNXNZANFAE-UHFFFAOYSA-N 1 3 294.443 1.326 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362808827 391132891 /nfs/dbraw/zinc/13/28/91/391132891.db2.gz MQKJBIBMLSDJHW-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO CN(CCC#N)C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339437752 391302108 /nfs/dbraw/zinc/30/21/08/391302108.db2.gz GPJRADGWFQBWNM-INIZCTEOSA-N 1 3 292.427 1.166 20 30 CDEDHO CN(CCC#N)C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339437752 391302111 /nfs/dbraw/zinc/30/21/11/391302111.db2.gz GPJRADGWFQBWNM-INIZCTEOSA-N 1 3 292.427 1.166 20 30 CDEDHO C=CCNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975797 391371442 /nfs/dbraw/zinc/37/14/42/391371442.db2.gz GBGDNSINEVTCBF-KBPBESRZSA-N 1 3 265.401 1.000 20 30 CDEDHO Cn1cc(CNCCN2CCC([NH+](C)C)CC2)cc1C#N ZINC000191284622 130215954 /nfs/dbraw/zinc/21/59/54/130215954.db2.gz VHDLEYHRYBJFBR-UHFFFAOYSA-N 1 3 289.427 1.012 20 30 CDEDHO CN(C)Cc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000261980765 262759690 /nfs/dbraw/zinc/75/96/90/262759690.db2.gz HXMVIQKKZSARIZ-UHFFFAOYSA-N 1 3 262.401 1.727 20 30 CDEDHO C[NH+]=C(NCC1(CN(C)C)CCCC1)NC1CC1 ZINC000183646419 264604453 /nfs/dbraw/zinc/60/44/53/264604453.db2.gz UWWQBUKRAIHSAL-UHFFFAOYSA-N 1 3 252.406 1.436 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCS1 ZINC000262163660 330001140 /nfs/dbraw/zinc/00/11/40/330001140.db2.gz BLMLVDMINVTLIV-QWHCGFSZSA-N 1 3 284.473 1.661 20 30 CDEDHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424150999 330297034 /nfs/dbraw/zinc/29/70/34/330297034.db2.gz GWTPPZAJLWDHIE-MGPQQGTHSA-N 1 3 280.416 1.387 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000447543642 330869321 /nfs/dbraw/zinc/86/93/21/330869321.db2.gz RTLKTQHLUQCEOD-OLZOCXBDSA-N 1 3 251.374 1.115 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000491765411 332333855 /nfs/dbraw/zinc/33/38/55/332333855.db2.gz DDAGSUMVUJPZJX-KFWWJZLASA-N 1 3 279.428 1.319 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000491789131 332351271 /nfs/dbraw/zinc/35/12/71/332351271.db2.gz YMZXJTWYWRIWGC-UHFFFAOYSA-N 1 3 294.443 1.114 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045418 333053035 /nfs/dbraw/zinc/05/30/35/333053035.db2.gz JZHMTCRFAHEZLA-HIFRSBDPSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177045418 333053036 /nfs/dbraw/zinc/05/30/36/333053036.db2.gz JZHMTCRFAHEZLA-HIFRSBDPSA-N 1 3 289.423 1.073 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000576004636 335141001 /nfs/dbraw/zinc/14/10/01/335141001.db2.gz GJRJTGUQXDANKM-UHFFFAOYSA-N 1 3 268.405 1.017 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481098201 1159521953 /nfs/dbraw/zinc/52/19/53/1159521953.db2.gz STNBHAVIQMANMN-CABCVRRESA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481098201 1159521957 /nfs/dbraw/zinc/52/19/57/1159521957.db2.gz STNBHAVIQMANMN-CABCVRRESA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCCC[NH2+][C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001752912213 1161138396 /nfs/dbraw/zinc/13/83/96/1161138396.db2.gz ADRNPSSFKOBEPY-NSHDSACASA-N 1 3 264.373 1.321 20 30 CDEDHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1C#N ZINC000291794581 533882059 /nfs/dbraw/zinc/88/20/59/533882059.db2.gz WPROXWUQKAQXQO-LBPRGKRZSA-N 1 3 261.369 1.854 20 30 CDEDHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001754320603 1185576043 /nfs/dbraw/zinc/57/60/43/1185576043.db2.gz XUCVUVMZRVRHDO-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001754320603 1185576048 /nfs/dbraw/zinc/57/60/48/1185576048.db2.gz XUCVUVMZRVRHDO-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300166 1162150761 /nfs/dbraw/zinc/15/07/61/1162150761.db2.gz JQZCKDBPTQQLJN-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(CN(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000764401997 575904304 /nfs/dbraw/zinc/90/43/04/575904304.db2.gz GVWBURLDYQLIOC-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977452006 613031342 /nfs/dbraw/zinc/03/13/42/613031342.db2.gz KBAQOQOAFDVLPG-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977452006 613031344 /nfs/dbraw/zinc/03/13/44/613031344.db2.gz KBAQOQOAFDVLPG-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483325 613086853 /nfs/dbraw/zinc/08/68/53/613086853.db2.gz NEWOUFWXSSFWCT-MRXNPFEDSA-N 1 3 299.418 1.528 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC)CC[C@@H]2C)CC1 ZINC000968682830 613132100 /nfs/dbraw/zinc/13/21/00/613132100.db2.gz VLDLMJKBBQWWGJ-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC)CC[C@@H]2C)CC1 ZINC000968682830 613132102 /nfs/dbraw/zinc/13/21/02/613132102.db2.gz VLDLMJKBBQWWGJ-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947979649 613520954 /nfs/dbraw/zinc/52/09/54/613520954.db2.gz JMJZPBZMPKDLTK-TZMCWYRMSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC000947979649 613520957 /nfs/dbraw/zinc/52/09/57/613520957.db2.gz JMJZPBZMPKDLTK-TZMCWYRMSA-N 1 3 290.411 1.806 20 30 CDEDHO C#CCN1CCC(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001224002559 1160682191 /nfs/dbraw/zinc/68/21/91/1160682191.db2.gz JXJWZOMNQAIXQE-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345938 1163648161 /nfs/dbraw/zinc/64/81/61/1163648161.db2.gz IITZCZJDWZICRK-CVEARBPZSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840135 1184928942 /nfs/dbraw/zinc/92/89/42/1184928942.db2.gz HACKNYLGOOMDQI-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840135 1184928947 /nfs/dbraw/zinc/92/89/47/1184928947.db2.gz HACKNYLGOOMDQI-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001752980911 1184982347 /nfs/dbraw/zinc/98/23/47/1184982347.db2.gz SXXDSAQVXBVNGA-HUUCEWRRSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754570438 1185668120 /nfs/dbraw/zinc/66/81/20/1185668120.db2.gz WROQHZLHMNUAPZ-QGZVFWFLSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754570438 1185668124 /nfs/dbraw/zinc/66/81/24/1185668124.db2.gz WROQHZLHMNUAPZ-QGZVFWFLSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001086711669 1163869386 /nfs/dbraw/zinc/86/93/86/1163869386.db2.gz XCVPASAECCOIBN-ARFHVFGLSA-N 1 3 293.455 1.921 20 30 CDEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303891315 742584885 /nfs/dbraw/zinc/58/48/85/742584885.db2.gz QPPLJOJBJJAKII-KBPBESRZSA-N 1 3 284.448 1.580 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127555 739444920 /nfs/dbraw/zinc/44/49/20/739444920.db2.gz VUMKJSYITYLGHV-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001033127555 739444930 /nfs/dbraw/zinc/44/49/30/739444930.db2.gz VUMKJSYITYLGHV-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023376938 739743849 /nfs/dbraw/zinc/74/38/49/739743849.db2.gz BZCJYTXVYHJITL-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023376938 739743853 /nfs/dbraw/zinc/74/38/53/739743853.db2.gz BZCJYTXVYHJITL-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733725 740365231 /nfs/dbraw/zinc/36/52/31/740365231.db2.gz IDNFSRYYNUDFFT-GJZGRUSLSA-N 1 3 289.423 1.334 20 30 CDEDHO CC[NH+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC(C)(C)C ZINC000303484190 740514124 /nfs/dbraw/zinc/51/41/24/740514124.db2.gz SJCIYDJJQAUTNE-CHWSQXEVSA-N 1 3 282.432 1.203 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005931350 740522300 /nfs/dbraw/zinc/52/23/00/740522300.db2.gz SGFCSBIMTWEXDB-UHFFFAOYSA-N 1 3 279.428 1.437 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000303867669 740579609 /nfs/dbraw/zinc/57/96/09/740579609.db2.gz ADMXYBRBJQJNIP-OLZOCXBDSA-N 1 3 254.422 1.763 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027465100 741049624 /nfs/dbraw/zinc/04/96/24/741049624.db2.gz RXVRRSBEBPVIME-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027465100 741049627 /nfs/dbraw/zinc/04/96/27/741049627.db2.gz RXVRRSBEBPVIME-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO CCN(CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)CC(C)C ZINC000303773748 741139844 /nfs/dbraw/zinc/13/98/44/741139844.db2.gz FKFGFGBTRCUZMT-ZIAGYGMSSA-N 1 3 286.464 1.682 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CCOC ZINC000305817741 741336351 /nfs/dbraw/zinc/33/63/51/741336351.db2.gz NERHWLXAMLLWNR-ZDUSSCGKSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001037859140 741366729 /nfs/dbraw/zinc/36/67/29/741366729.db2.gz IBTDKZCVEJOOIZ-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873261 741290529 /nfs/dbraw/zinc/29/05/29/741290529.db2.gz UCYFYISEZUMGHH-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000262002777 741637960 /nfs/dbraw/zinc/63/79/60/741637960.db2.gz QJCZQZXGNAKSMW-CYBMUJFWSA-N 1 3 298.500 1.860 20 30 CDEDHO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC000999876581 741646027 /nfs/dbraw/zinc/64/60/27/741646027.db2.gz ONFQLEYHQXRXNM-NRXISQOPSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCCN1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014752 741691903 /nfs/dbraw/zinc/69/19/03/741691903.db2.gz CTZKVZQXTIEIGS-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041645246 742347393 /nfs/dbraw/zinc/34/73/93/742347393.db2.gz KVQOHZUSEVIFIP-WBVHZDCISA-N 1 3 291.439 1.130 20 30 CDEDHO C=CCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091530 739589139 /nfs/dbraw/zinc/58/91/39/739589139.db2.gz WECMQEHNJBJLMK-AWEZNQCLSA-N 1 3 277.412 1.381 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](CC(C)C)N(C)C ZINC000303774858 739733682 /nfs/dbraw/zinc/73/36/82/739733682.db2.gz GFPDJEWWBTXZCM-GJZGRUSLSA-N 1 3 297.491 1.351 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C2CC2)CC1 ZINC000130807187 740262420 /nfs/dbraw/zinc/26/24/20/740262420.db2.gz DBINNYZUQIKYNT-CYBMUJFWSA-N 1 3 264.417 1.565 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994405942 740342705 /nfs/dbraw/zinc/34/27/05/740342705.db2.gz JFNDBNOGANYALG-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994405942 740342708 /nfs/dbraw/zinc/34/27/08/740342708.db2.gz JFNDBNOGANYALG-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405942 740342715 /nfs/dbraw/zinc/34/27/15/740342715.db2.gz JFNDBNOGANYALG-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO N#CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848719402 741378661 /nfs/dbraw/zinc/37/86/61/741378661.db2.gz DHXZQVYEVJMTAZ-KGLIPLIRSA-N 1 3 259.353 1.948 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000303871224 741578598 /nfs/dbraw/zinc/57/85/98/741578598.db2.gz BOOTWYPITIFQGX-ZIAGYGMSSA-N 1 3 284.448 1.580 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995924616 741931378 /nfs/dbraw/zinc/93/13/78/741931378.db2.gz IHQSAVHXAIVPAL-GJZGRUSLSA-N 1 3 295.471 1.975 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016332264 742220708 /nfs/dbraw/zinc/22/07/08/742220708.db2.gz QOIDEMFYXRFGJQ-KRWDZBQOSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990761258 742646723 /nfs/dbraw/zinc/64/67/23/742646723.db2.gz IGDUFBOQOZCLGY-KCYZZUKISA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990761258 742646729 /nfs/dbraw/zinc/64/67/29/742646729.db2.gz IGDUFBOQOZCLGY-KCYZZUKISA-N 1 3 291.439 1.626 20 30 CDEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074877995 742820196 /nfs/dbraw/zinc/82/01/96/742820196.db2.gz VRHAUYGVUHEUSZ-IHRRRGAJSA-N 1 3 299.846 1.802 20 30 CDEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074877995 742820197 /nfs/dbraw/zinc/82/01/97/742820197.db2.gz VRHAUYGVUHEUSZ-IHRRRGAJSA-N 1 3 299.846 1.802 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115573159 894248418 /nfs/dbraw/zinc/24/84/18/894248418.db2.gz KTNJWPNFZIUXON-OAHLLOKOSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294186 895442738 /nfs/dbraw/zinc/44/27/38/895442738.db2.gz BCCZMYYTEFITNK-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106674403 914124952 /nfs/dbraw/zinc/12/49/52/914124952.db2.gz UOOYFWUGUJCKIA-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400297 921475168 /nfs/dbraw/zinc/47/51/68/921475168.db2.gz JAEKCZQSRXGETD-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400297 921475175 /nfs/dbraw/zinc/47/51/75/921475175.db2.gz JAEKCZQSRXGETD-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO COCCC1([NH3+])CCN([C@@H](C)CCCC#N)CC1 ZINC001172492931 911730658 /nfs/dbraw/zinc/73/06/58/911730658.db2.gz QCUVTOGJIMCDDX-ZDUSSCGKSA-N 1 3 253.390 1.899 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617677 915910433 /nfs/dbraw/zinc/91/04/33/915910433.db2.gz LCQFQSHKZCZORC-JSGCOSHPSA-N 1 3 276.384 1.497 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181897459 917454422 /nfs/dbraw/zinc/45/44/22/917454422.db2.gz ZLVPFLKAPCEUBS-BFYDXBDKSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185548418 919650553 /nfs/dbraw/zinc/65/05/53/919650553.db2.gz MNRZMNNGWZVQBX-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185763270 919743269 /nfs/dbraw/zinc/74/32/69/919743269.db2.gz RQDWHWFEGRQQNI-JKSUJKDBSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035595 936710446 /nfs/dbraw/zinc/71/04/46/936710446.db2.gz DACWOMRWPMXMPX-CABCVRRESA-N 1 3 291.439 1.674 20 30 CDEDHO C#CCN(C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387763 923048685 /nfs/dbraw/zinc/04/86/85/923048685.db2.gz ZAYMMKZKFSVBSV-AWEZNQCLSA-N 1 3 279.428 1.130 20 30 CDEDHO C#CCN(C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387763 923048702 /nfs/dbraw/zinc/04/87/02/923048702.db2.gz ZAYMMKZKFSVBSV-AWEZNQCLSA-N 1 3 279.428 1.130 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCCCC1 ZINC000187039475 923370557 /nfs/dbraw/zinc/37/05/57/923370557.db2.gz RXCCUGCAUJOJNO-CQSZACIVSA-N 1 3 296.459 1.724 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100765133 936933369 /nfs/dbraw/zinc/93/33/69/936933369.db2.gz URLWXOXPJHNXPK-UHFFFAOYSA-N 1 3 293.455 1.616 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741089 924990935 /nfs/dbraw/zinc/99/09/35/924990935.db2.gz PFHRKWSYMBZHOB-MRVWCRGKSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741089 924990942 /nfs/dbraw/zinc/99/09/42/924990942.db2.gz PFHRKWSYMBZHOB-MRVWCRGKSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830274 925448778 /nfs/dbraw/zinc/44/87/78/925448778.db2.gz QEIAXBBOPVJKAU-QLFBSQMISA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830274 925448780 /nfs/dbraw/zinc/44/87/80/925448780.db2.gz QEIAXBBOPVJKAU-QLFBSQMISA-N 1 3 277.412 1.047 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368204 937054794 /nfs/dbraw/zinc/05/47/94/937054794.db2.gz KQTHLHCLTQWBGW-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368204 937054796 /nfs/dbraw/zinc/05/47/96/937054796.db2.gz KQTHLHCLTQWBGW-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C[NH+]1CCC2(CCN(Cc3cncc(C#N)c3)C2)CC1 ZINC001144083326 931652076 /nfs/dbraw/zinc/65/20/76/931652076.db2.gz FARUJBNACHJJAD-UHFFFAOYSA-N 1 3 270.380 1.871 20 30 CDEDHO C#CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147835887 932616508 /nfs/dbraw/zinc/61/65/08/932616508.db2.gz NZZYSVXSAYURQT-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147835887 932616512 /nfs/dbraw/zinc/61/65/12/932616512.db2.gz NZZYSVXSAYURQT-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626991 939620584 /nfs/dbraw/zinc/62/05/84/939620584.db2.gz NOEKMDNEJFCKMR-CQSZACIVSA-N 1 3 267.417 1.533 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166737005 939633347 /nfs/dbraw/zinc/63/33/47/939633347.db2.gz YDTFABJXXZLTGX-UHFFFAOYSA-N 1 3 267.417 1.390 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744524 939634539 /nfs/dbraw/zinc/63/45/39/939634539.db2.gz YMJOZIRSLLJTQL-UHFFFAOYSA-N 1 3 267.417 1.084 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205516270 939895754 /nfs/dbraw/zinc/89/57/54/939895754.db2.gz WPSVHPDICRRGNJ-OAHLLOKOSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209474135 940595193 /nfs/dbraw/zinc/59/51/93/940595193.db2.gz FLCYKNOWQCYBDV-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904618 940844390 /nfs/dbraw/zinc/84/43/90/940844390.db2.gz AYYZPHNKZAKREI-KFWWJZLASA-N 1 3 279.428 1.032 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C#N)cc1C#N ZINC001219393496 941339002 /nfs/dbraw/zinc/33/90/02/941339002.db2.gz NGZHPSSJTNZIOS-AWEZNQCLSA-N 1 3 299.378 1.428 20 30 CDEDHO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220664029 941462771 /nfs/dbraw/zinc/46/27/71/941462771.db2.gz UPSLPAJCNQVEDC-OCCSQVGLSA-N 1 3 291.395 1.495 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001223374253 941674295 /nfs/dbraw/zinc/67/42/95/941674295.db2.gz MKPXKMFALUKJDS-OAHLLOKOSA-N 1 3 299.434 1.681 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)CN(CC)CC ZINC001226564381 942026628 /nfs/dbraw/zinc/02/66/28/942026628.db2.gz KQDFRBOZVHDIEP-RRFJBIMHSA-N 1 3 297.418 1.317 20 30 CDEDHO C#CCCN1CCC[C@H]([NH2+][C@@H]2CCCN(C)CC2)C1=O ZINC001254510954 947473075 /nfs/dbraw/zinc/47/30/75/947473075.db2.gz ZJLHEPLAEUMVQZ-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246079303 947930654 /nfs/dbraw/zinc/93/06/54/947930654.db2.gz DFBQQVORACCONC-VBNZEHGJSA-N 1 3 291.370 1.141 20 30 CDEDHO C#CCOCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255672058 948064387 /nfs/dbraw/zinc/06/43/87/948064387.db2.gz XIGHFSSCNOGJOK-MQVJKMGUSA-N 1 3 280.412 1.258 20 30 CDEDHO C#CCOCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672058 948064395 /nfs/dbraw/zinc/06/43/95/948064395.db2.gz XIGHFSSCNOGJOK-MQVJKMGUSA-N 1 3 280.412 1.258 20 30 CDEDHO N#CCOc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC001326473402 954399496 /nfs/dbraw/zinc/39/94/96/954399496.db2.gz JJOYBDYPQPAXAH-DZGCQCFKSA-N 1 3 259.353 1.806 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317380324 957442162 /nfs/dbraw/zinc/44/21/62/957442162.db2.gz AUEPMQRKHYWSEL-CABCVRRESA-N 1 3 279.428 1.273 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317380324 957442167 /nfs/dbraw/zinc/44/21/67/957442167.db2.gz AUEPMQRKHYWSEL-CABCVRRESA-N 1 3 279.428 1.273 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001335263446 959667832 /nfs/dbraw/zinc/66/78/32/959667832.db2.gz HGIOYBUGMDIMBJ-CQSZACIVSA-N 1 3 261.369 1.445 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC1CC[NH+](CC)CC1 ZINC001340865188 963160706 /nfs/dbraw/zinc/16/07/06/963160706.db2.gz OMUNTZQZQFLYQB-HNNXBMFYSA-N 1 3 281.444 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001343391390 963965678 /nfs/dbraw/zinc/96/56/78/963965678.db2.gz IRYQDRQQPKVPSO-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC001343391390 963965681 /nfs/dbraw/zinc/96/56/81/963965681.db2.gz IRYQDRQQPKVPSO-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647395 968862725 /nfs/dbraw/zinc/86/27/25/968862725.db2.gz RXBOHBFOVWYGHW-YMAMQOFZSA-N 1 3 279.428 1.080 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265384 1163217899 /nfs/dbraw/zinc/21/78/99/1163217899.db2.gz MFCCKMUSYFLUBV-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC000329719515 361933404 /nfs/dbraw/zinc/93/34/04/361933404.db2.gz MMZCUIXUNVMIJX-OUAUKWLOSA-N 1 3 262.357 1.769 20 30 CDEDHO C[NH+]1CCC2(CCN(Cc3ccnc(C#N)c3)C2)CC1 ZINC000602877040 350158695 /nfs/dbraw/zinc/15/86/95/350158695.db2.gz KLVXJPZRBVTLMS-UHFFFAOYSA-N 1 3 270.380 1.871 20 30 CDEDHO C[NH+]=C(NCCCN(C)Cc1ccccc1)NC1CC1 ZINC000264099400 362966970 /nfs/dbraw/zinc/96/69/70/362966970.db2.gz YIJBPDCQRCUGGR-UHFFFAOYSA-N 1 3 274.412 1.836 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779902 358884091 /nfs/dbraw/zinc/88/40/91/358884091.db2.gz MCIVSYTVZWHKMA-QNWHQSFQSA-N 1 3 251.374 1.629 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779902 358884092 /nfs/dbraw/zinc/88/40/92/358884092.db2.gz MCIVSYTVZWHKMA-QNWHQSFQSA-N 1 3 251.374 1.629 20 30 CDEDHO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000570675401 363875022 /nfs/dbraw/zinc/87/50/22/363875022.db2.gz KFIOHXOCILEJGC-OAHLLOKOSA-N 1 3 296.459 1.045 20 30 CDEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000178744722 364938734 /nfs/dbraw/zinc/93/87/34/364938734.db2.gz LLPLLCMQQDSKCH-UHFFFAOYSA-N 1 3 296.459 1.618 20 30 CDEDHO C=CCC[C@@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180954797 372452183 /nfs/dbraw/zinc/45/21/83/372452183.db2.gz BREHVUSXCXTUNC-MRXNPFEDSA-N 1 3 283.460 1.271 20 30 CDEDHO C=CCC[C@@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180954797 372452190 /nfs/dbraw/zinc/45/21/90/372452190.db2.gz BREHVUSXCXTUNC-MRXNPFEDSA-N 1 3 283.460 1.271 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000417060342 391342017 /nfs/dbraw/zinc/34/20/17/391342017.db2.gz JVNIOZCGPWPVGM-UONOGXRCSA-N 1 3 282.432 1.331 20 30 CDEDHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000448422560 261150011 /nfs/dbraw/zinc/15/00/11/261150011.db2.gz YFBJIQFOIZNCAY-QWHCGFSZSA-N 1 3 251.374 1.630 20 30 CDEDHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000448422560 261150013 /nfs/dbraw/zinc/15/00/13/261150013.db2.gz YFBJIQFOIZNCAY-QWHCGFSZSA-N 1 3 251.374 1.630 20 30 CDEDHO C=CCc1cc(CNC[C@@H](C)C[NH3+])cc(OC)c1O ZINC000414885748 263099353 /nfs/dbraw/zinc/09/93/53/263099353.db2.gz XJKGYEAJEVYKHV-NSHDSACASA-N 1 3 264.369 1.814 20 30 CDEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000292375111 263131634 /nfs/dbraw/zinc/13/16/34/263131634.db2.gz MOSDLEGGOGGXKB-CZUORRHYSA-N 1 3 298.390 1.554 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353235564 266585040 /nfs/dbraw/zinc/58/50/40/266585040.db2.gz BWWVFZZWIQYSKN-INIZCTEOSA-N 1 3 285.391 1.592 20 30 CDEDHO C=CCC(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556756700 326962159 /nfs/dbraw/zinc/96/21/59/326962159.db2.gz NBERZNYWBBHSGS-UHFFFAOYSA-N 1 3 298.475 1.724 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000424126805 330259418 /nfs/dbraw/zinc/25/94/18/330259418.db2.gz BYVADWPYDAIOLV-KGLIPLIRSA-N 1 3 278.400 1.094 20 30 CDEDHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424136300 330272363 /nfs/dbraw/zinc/27/23/63/330272363.db2.gz AHOKYEKEHZRNCY-KBPBESRZSA-N 1 3 280.416 1.198 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424138012 330274942 /nfs/dbraw/zinc/27/49/42/330274942.db2.gz CSGQVOYXVFFKDT-KBPBESRZSA-N 1 3 280.416 1.102 20 30 CDEDHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424138012 330274944 /nfs/dbraw/zinc/27/49/44/330274944.db2.gz CSGQVOYXVFFKDT-KBPBESRZSA-N 1 3 280.416 1.102 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000424158542 330305570 /nfs/dbraw/zinc/30/55/70/330305570.db2.gz RDUPENKZAOJLIR-ZIAGYGMSSA-N 1 3 278.400 1.094 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)C(C)C ZINC000565360315 517331003 /nfs/dbraw/zinc/33/10/03/517331003.db2.gz BOFIAUCPWXWUFT-HRCADAONSA-N 1 3 293.455 1.799 20 30 CDEDHO CCCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000203011801 1162173865 /nfs/dbraw/zinc/17/38/65/1162173865.db2.gz NNQXEVUDQCAILI-OCCSQVGLSA-N 1 3 254.422 1.811 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333168611 526596462 /nfs/dbraw/zinc/59/64/62/526596462.db2.gz HTKNYCBNGVSAJW-AWEZNQCLSA-N 1 3 280.416 1.078 20 30 CDEDHO C=CCN1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000729942697 574831937 /nfs/dbraw/zinc/83/19/37/574831937.db2.gz KGEPBRIEPPVOBJ-UHFFFAOYSA-N 1 3 284.473 1.053 20 30 CDEDHO C#CCOCCN[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000753768834 576858757 /nfs/dbraw/zinc/85/87/57/576858757.db2.gz NIXYRKNTMJFZNY-JKSUJKDBSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCOCCN[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000753768834 576858759 /nfs/dbraw/zinc/85/87/59/576858759.db2.gz NIXYRKNTMJFZNY-JKSUJKDBSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256122 613223752 /nfs/dbraw/zinc/22/37/52/613223752.db2.gz CXFULVBHZRKSBS-LSDHHAIUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971679778 613284480 /nfs/dbraw/zinc/28/44/80/613284480.db2.gz UYZFVHBTVXLCTN-HUUCEWRRSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971679778 613284481 /nfs/dbraw/zinc/28/44/81/613284481.db2.gz UYZFVHBTVXLCTN-HUUCEWRRSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000969948860 613348288 /nfs/dbraw/zinc/34/82/88/613348288.db2.gz MAPDAGSAMCMWLH-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246109 613500936 /nfs/dbraw/zinc/50/09/36/613500936.db2.gz VPGFXBNNEPNMTP-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246109 613500937 /nfs/dbraw/zinc/50/09/37/613500937.db2.gz VPGFXBNNEPNMTP-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598422 613578210 /nfs/dbraw/zinc/57/82/10/613578210.db2.gz XHQQDGXCYQRVED-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598424 613596707 /nfs/dbraw/zinc/59/67/07/613596707.db2.gz XHQQDGXCYQRVED-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CCCCCC[NH3+])CC1 ZINC000891522843 617459548 /nfs/dbraw/zinc/45/95/48/617459548.db2.gz WRIAXJJAKSEKQF-UHFFFAOYSA-N 1 3 296.459 1.797 20 30 CDEDHO C=CCN(CC=C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716644 626061627 /nfs/dbraw/zinc/06/16/27/626061627.db2.gz APRQBJUMFANTDA-AWEZNQCLSA-N 1 3 250.386 1.819 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911634386 629378118 /nfs/dbraw/zinc/37/81/18/629378118.db2.gz NJKQBUQPMMGRPD-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181562 1163597666 /nfs/dbraw/zinc/59/76/66/1163597666.db2.gz CYRCKXJEDAFOAY-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908329 1163960082 /nfs/dbraw/zinc/96/00/82/1163960082.db2.gz MUFDPXYNGPOZFH-UHFFFAOYSA-N 1 3 255.406 1.246 20 30 CDEDHO C#Cc1cccc(CNCCC2([NH3+])CCOCC2)c1 ZINC001574766510 1171007529 /nfs/dbraw/zinc/00/75/29/1171007529.db2.gz RJOFNEHALSPNIH-UHFFFAOYSA-N 1 3 258.365 1.656 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001753323121 1183970256 /nfs/dbraw/zinc/97/02/56/1183970256.db2.gz LNEARZDYAHGBAH-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001753323121 1183970257 /nfs/dbraw/zinc/97/02/57/1183970257.db2.gz LNEARZDYAHGBAH-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133962368 1163984252 /nfs/dbraw/zinc/98/42/52/1163984252.db2.gz GMKOCKAHKTUTQM-STQMWFEESA-N 1 3 255.406 1.387 20 30 CDEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005990443 742877518 /nfs/dbraw/zinc/87/75/18/742877518.db2.gz GYPDMXKBCJCAGO-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020925170 743047347 /nfs/dbraw/zinc/04/73/47/743047347.db2.gz IVCAFCWEVZVGGP-AVGNSLFASA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020925170 743047358 /nfs/dbraw/zinc/04/73/58/743047358.db2.gz IVCAFCWEVZVGGP-AVGNSLFASA-N 1 3 285.819 1.318 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997006326 743082942 /nfs/dbraw/zinc/08/29/42/743082942.db2.gz KVLQHWRZIQDQBW-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001006441917 743212452 /nfs/dbraw/zinc/21/24/52/743212452.db2.gz GOKAZCHAJZLKFN-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054664953 744973853 /nfs/dbraw/zinc/97/38/53/744973853.db2.gz ZDISHGRTOBLYFK-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001037937166 745011856 /nfs/dbraw/zinc/01/18/56/745011856.db2.gz YIVHOGGRNKMGGO-OCCSQVGLSA-N 1 3 276.384 1.355 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001020025671 745094367 /nfs/dbraw/zinc/09/43/67/745094367.db2.gz XZODAZQQIRJOBJ-IJLUTSLNSA-N 1 3 271.792 1.070 20 30 CDEDHO C[NH+]=C(NCCN1CCCC1(C)C)NCc1ccco1 ZINC000849039404 745239911 /nfs/dbraw/zinc/23/99/11/745239911.db2.gz WUFKSHXXZPKAFL-UHFFFAOYSA-N 1 3 278.400 1.819 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCCCC1)N1CCC[C@@H](C)C1 ZINC000303909332 745268822 /nfs/dbraw/zinc/26/88/22/745268822.db2.gz YCRIRHOAMQSAPV-ZIAGYGMSSA-N 1 3 266.433 1.907 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CCCC1 ZINC000303887013 745499272 /nfs/dbraw/zinc/49/92/72/745499272.db2.gz KQJVUAZCMFIBFO-KGLIPLIRSA-N 1 3 266.433 1.907 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526212 745880697 /nfs/dbraw/zinc/88/06/97/745880697.db2.gz VYXUTCPAPSRRMI-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526212 745880698 /nfs/dbraw/zinc/88/06/98/745880698.db2.gz VYXUTCPAPSRRMI-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071997342 746269682 /nfs/dbraw/zinc/26/96/82/746269682.db2.gz YQPQDUVDRYHZGE-LSDHHAIUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995921783 746301970 /nfs/dbraw/zinc/30/19/70/746301970.db2.gz YFHHQDCCZPNUBD-AWEZNQCLSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038270117 746415715 /nfs/dbraw/zinc/41/57/15/746415715.db2.gz SAJCVKQWNKOJMR-HOTGVXAUSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475477 746454680 /nfs/dbraw/zinc/45/46/80/746454680.db2.gz PSYGUBXXKJDABA-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCO[C@@H](C)C#N)C1 ZINC000801925184 746458243 /nfs/dbraw/zinc/45/82/43/746458243.db2.gz ZVGUGTMVTCODGE-LSDHHAIUSA-N 1 3 283.416 1.348 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001000191454 746776554 /nfs/dbraw/zinc/77/65/54/746776554.db2.gz JAOADNPYHYHQJA-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001023125472 747064164 /nfs/dbraw/zinc/06/41/64/747064164.db2.gz RIXDFDLQKVBQAE-TUVASFSCSA-N 1 3 279.428 1.672 20 30 CDEDHO CC[NH+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC(C)(C)C ZINC000303484192 747194493 /nfs/dbraw/zinc/19/44/93/747194493.db2.gz SJCIYDJJQAUTNE-QWHCGFSZSA-N 1 3 282.432 1.203 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052713308 747337636 /nfs/dbraw/zinc/33/76/36/747337636.db2.gz USJOPBVPMRTDBT-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052713308 747337646 /nfs/dbraw/zinc/33/76/46/747337646.db2.gz USJOPBVPMRTDBT-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC=CCC1 ZINC000261985385 747367488 /nfs/dbraw/zinc/36/74/88/747367488.db2.gz JPCBLBUNXZKUIN-UONOGXRCSA-N 1 3 264.417 1.731 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752194 747970708 /nfs/dbraw/zinc/97/07/08/747970708.db2.gz YWLCGTWZPNXTEW-ZIAGYGMSSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752194 747970729 /nfs/dbraw/zinc/97/07/29/747970729.db2.gz YWLCGTWZPNXTEW-ZIAGYGMSSA-N 1 3 277.412 1.047 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579492 748841928 /nfs/dbraw/zinc/84/19/28/748841928.db2.gz FVRDHGLVFGFBQR-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579492 748841930 /nfs/dbraw/zinc/84/19/30/748841930.db2.gz FVRDHGLVFGFBQR-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001021093500 749352988 /nfs/dbraw/zinc/35/29/88/749352988.db2.gz DNAVUJQZWJDGSO-SHTZXODSSA-N 1 3 285.391 1.232 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249955 913716116 /nfs/dbraw/zinc/71/61/16/913716116.db2.gz UUDNESYDWBAIOO-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104936192 899684839 /nfs/dbraw/zinc/68/48/39/899684839.db2.gz IOXWORUBQWAFEU-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#Cc1ccc(C(=O)N(CC[NH+](CC)CC)C(=N)N)cc1 ZINC001188742846 921177675 /nfs/dbraw/zinc/17/76/75/921177675.db2.gz QQDLZEMMTNNEQH-UHFFFAOYSA-N 1 3 286.379 1.345 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088382298 907067904 /nfs/dbraw/zinc/06/79/04/907067904.db2.gz YPMPPLDDUAISCO-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702205 909136034 /nfs/dbraw/zinc/13/60/34/909136034.db2.gz JAGUFCSDDIXUDN-CABCVRRESA-N 1 3 291.439 1.770 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001088702205 909136039 /nfs/dbraw/zinc/13/60/39/909136039.db2.gz JAGUFCSDDIXUDN-CABCVRRESA-N 1 3 291.439 1.770 20 30 CDEDHO C#CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766990 909602878 /nfs/dbraw/zinc/60/28/78/909602878.db2.gz WUCXGBXWCYPZJH-ANQUJSFKSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766990 909602880 /nfs/dbraw/zinc/60/28/80/909602880.db2.gz WUCXGBXWCYPZJH-ANQUJSFKSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C(C)C ZINC001127066279 911263603 /nfs/dbraw/zinc/26/36/03/911263603.db2.gz KZNOJIOXXACOEC-HUUCEWRRSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550228 915879311 /nfs/dbraw/zinc/87/93/11/915879311.db2.gz SLPOGYYKWOJABG-KBPBESRZSA-N 1 3 281.444 1.729 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185751744 919755275 /nfs/dbraw/zinc/75/52/75/919755275.db2.gz QFRPBNPMOCXGTC-CVEARBPZSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342474 923012243 /nfs/dbraw/zinc/01/22/43/923012243.db2.gz FWTOFNHQCNCFCZ-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342474 923012258 /nfs/dbraw/zinc/01/22/58/923012258.db2.gz FWTOFNHQCNCFCZ-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197907749 925273877 /nfs/dbraw/zinc/27/38/77/925273877.db2.gz LRQCKALGRUKPJT-UHFFFAOYSA-N 1 3 279.428 1.276 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197907749 925273885 /nfs/dbraw/zinc/27/38/85/925273885.db2.gz LRQCKALGRUKPJT-UHFFFAOYSA-N 1 3 279.428 1.276 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525401 937063564 /nfs/dbraw/zinc/06/35/64/937063564.db2.gz AKXWWRZAYPZFGX-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525401 937063565 /nfs/dbraw/zinc/06/35/65/937063565.db2.gz AKXWWRZAYPZFGX-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197742 926814981 /nfs/dbraw/zinc/81/49/81/926814981.db2.gz YPWWUTNRFFEKMT-ZZVYKPCYSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086197742 926814993 /nfs/dbraw/zinc/81/49/93/926814993.db2.gz YPWWUTNRFFEKMT-ZZVYKPCYSA-N 1 3 299.846 1.421 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086476 937120988 /nfs/dbraw/zinc/12/09/88/937120988.db2.gz FCMPCKSUMYUXDF-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086476 937120990 /nfs/dbraw/zinc/12/09/90/937120990.db2.gz FCMPCKSUMYUXDF-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140118 937124122 /nfs/dbraw/zinc/12/41/22/937124122.db2.gz NNVYADLBMOOMCQ-BZUAXINKSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140118 937124124 /nfs/dbraw/zinc/12/41/24/937124124.db2.gz NNVYADLBMOOMCQ-BZUAXINKSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086497448 927216530 /nfs/dbraw/zinc/21/65/30/927216530.db2.gz MGAGIIACOPBOAV-JYJNAYRXSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C[C@@](C)(O)CN1CCN(CCC[NH+](CC)CC)CC1 ZINC001252556432 929214598 /nfs/dbraw/zinc/21/45/98/929214598.db2.gz CBEXCOFNIIZVMD-MRXNPFEDSA-N 1 3 283.460 1.273 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134767372 929891081 /nfs/dbraw/zinc/89/10/81/929891081.db2.gz XBTDXELEYNONBB-HNNXBMFYSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743598 930393358 /nfs/dbraw/zinc/39/33/58/930393358.db2.gz MTAJNABNAFSXCB-STQMWFEESA-N 1 3 289.851 1.954 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313442 937438701 /nfs/dbraw/zinc/43/87/01/937438701.db2.gz QXLLEBDSAZZCSM-HUUCEWRRSA-N 1 3 279.428 1.319 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313442 937438702 /nfs/dbraw/zinc/43/87/02/937438702.db2.gz QXLLEBDSAZZCSM-HUUCEWRRSA-N 1 3 279.428 1.319 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000104173034 931323284 /nfs/dbraw/zinc/32/32/84/931323284.db2.gz IGEGHLHDRHHHJR-UHFFFAOYSA-N 1 3 294.399 1.390 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H](C#N)C1 ZINC001160641836 931887188 /nfs/dbraw/zinc/88/71/88/931887188.db2.gz ABLSMHJMNONEGP-KGLIPLIRSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@@H](C#N)OCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000687819616 934459608 /nfs/dbraw/zinc/45/96/08/934459608.db2.gz NDUJQQCHHJNIDN-RYQLBKOJSA-N 1 3 299.418 1.979 20 30 CDEDHO C[C@@H](C#N)OCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000687819616 934459612 /nfs/dbraw/zinc/45/96/12/934459612.db2.gz NDUJQQCHHJNIDN-RYQLBKOJSA-N 1 3 299.418 1.979 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001121911267 937889549 /nfs/dbraw/zinc/88/95/49/937889549.db2.gz RUXDEMQTMIWYBA-LSDHHAIUSA-N 1 3 281.444 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001122128044 937907134 /nfs/dbraw/zinc/90/71/34/937907134.db2.gz ZOHYASRUCGQJMV-GUTXKFCHSA-N 1 3 265.401 1.257 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118547 938456538 /nfs/dbraw/zinc/45/65/38/938456538.db2.gz HZJDXRBMWMUJJD-CVEARBPZSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001158786698 938664242 /nfs/dbraw/zinc/66/42/42/938664242.db2.gz GAKLCOAYLVLTTL-MRXNPFEDSA-N 1 3 293.455 1.664 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001158786698 938664243 /nfs/dbraw/zinc/66/42/43/938664243.db2.gz GAKLCOAYLVLTTL-MRXNPFEDSA-N 1 3 293.455 1.664 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687277 939626923 /nfs/dbraw/zinc/62/69/23/939626923.db2.gz LMDIKXUQIJHXTB-INIZCTEOSA-N 1 3 297.418 1.318 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207652740 940227125 /nfs/dbraw/zinc/22/71/25/940227125.db2.gz JLWVELLXTCWATI-KFWWJZLASA-N 1 3 279.428 1.032 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207652740 940227127 /nfs/dbraw/zinc/22/71/27/940227127.db2.gz JLWVELLXTCWATI-KFWWJZLASA-N 1 3 279.428 1.032 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847420 940840950 /nfs/dbraw/zinc/84/09/50/940840950.db2.gz DQMAGZAVXHMISB-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO N#Cc1nc2ccc(NC(=O)[C@H](N)CCC[NH3+])cc2s1 ZINC001218910302 941287567 /nfs/dbraw/zinc/28/75/67/941287567.db2.gz IVJUHPJZSLSQRE-SECBINFHSA-N 1 3 289.364 1.173 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC(C)(C)S ZINC001220487655 941450766 /nfs/dbraw/zinc/45/07/66/941450766.db2.gz XUXKXBLZHONCJZ-NSHDSACASA-N 1 3 275.462 1.307 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227796844 942225962 /nfs/dbraw/zinc/22/59/62/942225962.db2.gz BZEMBUYCLRZJTK-HNNXBMFYSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877557 942240445 /nfs/dbraw/zinc/24/04/45/942240445.db2.gz TVYDUHYUSYOYSE-OAHLLOKOSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877557 942240450 /nfs/dbraw/zinc/24/04/50/942240450.db2.gz TVYDUHYUSYOYSE-OAHLLOKOSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001263106110 943748209 /nfs/dbraw/zinc/74/82/09/943748209.db2.gz LUSQOWXAPSTRBQ-AWEZNQCLSA-N 1 3 279.428 1.662 20 30 CDEDHO CCCCN(CCC#N)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246771199 948424195 /nfs/dbraw/zinc/42/41/95/948424195.db2.gz WKAUPDQDQBQGNR-ZDUSSCGKSA-N 1 3 250.390 1.096 20 30 CDEDHO CN(Cc1cnn2ccc(C#N)cc12)CC1CC[NH+](C)CC1 ZINC001249107554 949387837 /nfs/dbraw/zinc/38/78/37/949387837.db2.gz YLZVNURQCWDMHA-UHFFFAOYSA-N 1 3 297.406 1.980 20 30 CDEDHO C=CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252470702 951323431 /nfs/dbraw/zinc/32/34/31/951323431.db2.gz NNBOUQHINGFMPP-GVDBMIGSSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252470702 951323446 /nfs/dbraw/zinc/32/34/46/951323446.db2.gz NNBOUQHINGFMPP-GVDBMIGSSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470702 951323463 /nfs/dbraw/zinc/32/34/63/951323463.db2.gz NNBOUQHINGFMPP-GVDBMIGSSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001252470702 951323477 /nfs/dbraw/zinc/32/34/77/951323477.db2.gz NNBOUQHINGFMPP-GVDBMIGSSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001324264143 961270404 /nfs/dbraw/zinc/27/04/04/961270404.db2.gz RERBTMFHCFGGDC-KBPBESRZSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC001340484077 962961534 /nfs/dbraw/zinc/96/15/34/962961534.db2.gz NXMVIPCLKIKPOT-GJZGRUSLSA-N 1 3 293.455 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC001340904780 963179898 /nfs/dbraw/zinc/17/98/98/963179898.db2.gz BIXUYLAYFDFIBL-CQSZACIVSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001341664764 963503855 /nfs/dbraw/zinc/50/38/55/963503855.db2.gz FTVNOTKWAMDWIJ-HRCADAONSA-N 1 3 287.407 1.623 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001341664763 963503868 /nfs/dbraw/zinc/50/38/68/963503868.db2.gz FTVNOTKWAMDWIJ-ARFHVFGLSA-N 1 3 287.407 1.623 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001343407760 963972256 /nfs/dbraw/zinc/97/22/56/963972256.db2.gz LEINDFMNDKNFRG-CABCVRRESA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC001353468495 967999997 /nfs/dbraw/zinc/99/99/97/967999997.db2.gz DNBNIIAQNSVHOW-UONOGXRCSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001354319517 968640613 /nfs/dbraw/zinc/64/06/13/968640613.db2.gz UFIFVTGTHHVDRN-QWHCGFSZSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC001354319517 968640617 /nfs/dbraw/zinc/64/06/17/968640617.db2.gz UFIFVTGTHHVDRN-QWHCGFSZSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001502837166 974793012 /nfs/dbraw/zinc/79/30/12/974793012.db2.gz YKJOKEWKJHWYAD-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001502837166 974793016 /nfs/dbraw/zinc/79/30/16/974793016.db2.gz YKJOKEWKJHWYAD-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346714 1163640279 /nfs/dbraw/zinc/64/02/79/1163640279.db2.gz OHQJNLQPAIYZKV-LSDHHAIUSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000591667754 342641104 /nfs/dbraw/zinc/64/11/04/342641104.db2.gz VSHTWKZZPCNQFO-HZPDHXFCSA-N 1 3 293.455 1.753 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000591667754 342641105 /nfs/dbraw/zinc/64/11/05/342641105.db2.gz VSHTWKZZPCNQFO-HZPDHXFCSA-N 1 3 293.455 1.753 20 30 CDEDHO N#Cc1ccc(CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000595895643 343183223 /nfs/dbraw/zinc/18/32/23/343183223.db2.gz RCFITFXDFYNYFJ-MSOLQXFVSA-N 1 3 299.418 1.929 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595992430 343213318 /nfs/dbraw/zinc/21/33/18/343213318.db2.gz QSUUMVLQAMFALP-LSDHHAIUSA-N 1 3 292.427 1.246 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992430 343213320 /nfs/dbraw/zinc/21/33/20/343213320.db2.gz QSUUMVLQAMFALP-LSDHHAIUSA-N 1 3 292.427 1.246 20 30 CDEDHO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000600734156 349877886 /nfs/dbraw/zinc/87/78/86/349877886.db2.gz FFMMAPGUYSPPBJ-NVXWUHKLSA-N 1 3 285.391 1.592 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000619672022 347723125 /nfs/dbraw/zinc/72/31/25/347723125.db2.gz NJMOOYCQWLHGPH-LSDHHAIUSA-N 1 3 264.417 1.296 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(O)cc1 ZINC000264058024 362953494 /nfs/dbraw/zinc/95/34/94/362953494.db2.gz BSVCKLZNUQHRQA-CQSZACIVSA-N 1 3 290.411 1.323 20 30 CDEDHO CCN(CC)C(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264098779 362966733 /nfs/dbraw/zinc/96/67/33/362966733.db2.gz MHZYMZFNIIMOKS-UHFFFAOYSA-N 1 3 292.427 1.784 20 30 CDEDHO CCNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264098659 362967012 /nfs/dbraw/zinc/96/70/12/362967012.db2.gz NHUCVBGFJAABIL-UHFFFAOYSA-N 1 3 260.385 1.359 20 30 CDEDHO CN(C)C(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000170913515 365162674 /nfs/dbraw/zinc/16/26/74/365162674.db2.gz FAAVZPISGQRVKP-UHFFFAOYSA-N 1 3 260.385 1.311 20 30 CDEDHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339034479 391244373 /nfs/dbraw/zinc/24/43/73/391244373.db2.gz SVSJPMDWTKRZHB-HIFRSBDPSA-N 1 3 292.427 1.068 20 30 CDEDHO C=CCOCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000311638267 414178654 /nfs/dbraw/zinc/17/86/54/414178654.db2.gz OOTBCKKTYINXSX-UHFFFAOYSA-N 1 3 261.369 1.843 20 30 CDEDHO CCNC(NCc1ccc(OCCN(C)C)cc1)=[NH+]CC ZINC000161518470 261249113 /nfs/dbraw/zinc/24/91/13/261249113.db2.gz CDGFSNSWIQGMRJ-UHFFFAOYSA-N 1 3 292.427 1.702 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364740255 262260954 /nfs/dbraw/zinc/26/09/54/262260954.db2.gz PYUQEWIGWXOFEB-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364740255 262260956 /nfs/dbraw/zinc/26/09/56/262260956.db2.gz PYUQEWIGWXOFEB-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000262432005 330010269 /nfs/dbraw/zinc/01/02/69/330010269.db2.gz SPAYPZHXLJWMHL-NWDGAFQWSA-N 1 3 270.446 1.271 20 30 CDEDHO C[NH+]=C(NCc1ccco1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262439347 330013186 /nfs/dbraw/zinc/01/31/86/330013186.db2.gz HHMDTJREPQSWDM-CQSZACIVSA-N 1 3 290.411 1.915 20 30 CDEDHO C[NH+]=C(NCC1CCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262464448 330014852 /nfs/dbraw/zinc/01/48/52/330014852.db2.gz NHWWSBACLOBHFN-OAHLLOKOSA-N 1 3 278.444 1.922 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000262776313 330030820 /nfs/dbraw/zinc/03/08/20/330030820.db2.gz JHTYPIVQIXKEIS-NRXISQOPSA-N 1 3 291.443 1.705 20 30 CDEDHO CN(C)C(=[NH+]CCN1CCCC(C)(C)C1)N(C)C ZINC000263013107 330038816 /nfs/dbraw/zinc/03/88/16/330038816.db2.gz YXYUYDNRUNKCDL-UHFFFAOYSA-N 1 3 254.422 1.588 20 30 CDEDHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)CCCC#N ZINC000424149277 330295862 /nfs/dbraw/zinc/29/58/62/330295862.db2.gz WFAXKFDTVMQBKM-KGLIPLIRSA-N 1 3 280.416 1.340 20 30 CDEDHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)CCCC#N ZINC000424149277 330295863 /nfs/dbraw/zinc/29/58/63/330295863.db2.gz WFAXKFDTVMQBKM-KGLIPLIRSA-N 1 3 280.416 1.340 20 30 CDEDHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424150995 330296974 /nfs/dbraw/zinc/29/69/74/330296974.db2.gz GWTPPZAJLWDHIE-MCIONIFRSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424170532 330310867 /nfs/dbraw/zinc/31/08/67/330310867.db2.gz BHLKGXQFSXPNNQ-GXTWGEPZSA-N 1 3 280.416 1.196 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000490589310 332093523 /nfs/dbraw/zinc/09/35/23/332093523.db2.gz DJVMRHPTEGSMAK-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)CC1 ZINC000491180080 332161216 /nfs/dbraw/zinc/16/12/16/332161216.db2.gz JNSXAXUZBMMPJF-JKSUJKDBSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CC1 ZINC000491180080 332161217 /nfs/dbraw/zinc/16/12/17/332161217.db2.gz JNSXAXUZBMMPJF-JKSUJKDBSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN(C)CCCNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000491675937 332281541 /nfs/dbraw/zinc/28/15/41/332281541.db2.gz MYTSRFDOXXXVSU-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCN(C)CCCNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000491675937 332281542 /nfs/dbraw/zinc/28/15/42/332281542.db2.gz MYTSRFDOXXXVSU-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000334904880 526586911 /nfs/dbraw/zinc/58/69/11/526586911.db2.gz AKJSNGKMQAVZTN-ZIAGYGMSSA-N 1 3 294.443 1.419 20 30 CDEDHO CN(C)CCN1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190747487 535872305 /nfs/dbraw/zinc/87/23/05/535872305.db2.gz BHSXZRACWZVFOW-UHFFFAOYSA-N 1 3 289.427 1.012 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960724041 613840019 /nfs/dbraw/zinc/84/00/19/613840019.db2.gz SJWKBPFOUVFKMJ-QXSJWSMHSA-N 1 3 291.439 1.339 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960724041 613840021 /nfs/dbraw/zinc/84/00/21/613840021.db2.gz SJWKBPFOUVFKMJ-QXSJWSMHSA-N 1 3 291.439 1.339 20 30 CDEDHO C[C@H](C#N)OCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852105284 617856252 /nfs/dbraw/zinc/85/62/52/617856252.db2.gz JHNXQOQVDJGWRC-ZIAGYGMSSA-N 1 3 251.374 1.333 20 30 CDEDHO C[C@H](C#N)OCC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852105284 617856257 /nfs/dbraw/zinc/85/62/57/617856257.db2.gz JHNXQOQVDJGWRC-ZIAGYGMSSA-N 1 3 251.374 1.333 20 30 CDEDHO C[NH+]1CCC(CN2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000895492629 619693302 /nfs/dbraw/zinc/69/33/02/619693302.db2.gz CCCOLYLDBVFLHW-UHFFFAOYSA-N 1 3 299.422 1.417 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762950 629479793 /nfs/dbraw/zinc/47/97/93/629479793.db2.gz TWQXAHCRPSVEEJ-LBPRGKRZSA-N 1 3 257.422 1.918 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947283 1162510220 /nfs/dbraw/zinc/51/02/20/1162510220.db2.gz RTEJXAZUXTUGPP-KBPBESRZSA-N 1 3 269.433 1.633 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433959 1163287756 /nfs/dbraw/zinc/28/77/56/1163287756.db2.gz SHTXZYHIMAFSJW-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193631285 1184599020 /nfs/dbraw/zinc/59/90/20/1184599020.db2.gz JKRRLVGJDRBYHU-IYBDPMFKSA-N 1 3 255.365 1.860 20 30 CDEDHO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193631285 1184599027 /nfs/dbraw/zinc/59/90/27/1184599027.db2.gz JKRRLVGJDRBYHU-IYBDPMFKSA-N 1 3 255.365 1.860 20 30 CDEDHO C#CCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753874681 1185375500 /nfs/dbraw/zinc/37/55/00/1185375500.db2.gz AKHATCXNMVMRIT-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753874681 1185375508 /nfs/dbraw/zinc/37/55/08/1185375508.db2.gz AKHATCXNMVMRIT-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001754325830 1185578310 /nfs/dbraw/zinc/57/83/10/1185578310.db2.gz WUIINORTEBCSTK-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001754325830 1185578316 /nfs/dbraw/zinc/57/83/16/1185578316.db2.gz WUIINORTEBCSTK-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001755079683 1185808400 /nfs/dbraw/zinc/80/84/00/1185808400.db2.gz ORQMRJVQTCHXQT-KRWDZBQOSA-N 1 3 291.439 1.276 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001755188508 1185843190 /nfs/dbraw/zinc/84/31/90/1185843190.db2.gz GUTHHRLDKKYPCJ-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001755188508 1185843199 /nfs/dbraw/zinc/84/31/99/1185843199.db2.gz GUTHHRLDKKYPCJ-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001755201372 1185850839 /nfs/dbraw/zinc/85/08/39/1185850839.db2.gz QUFBITPPBLSQJO-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001755201372 1185850843 /nfs/dbraw/zinc/85/08/43/1185850843.db2.gz QUFBITPPBLSQJO-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001755379597 1185935857 /nfs/dbraw/zinc/93/58/57/1185935857.db2.gz QEDCQOYTNDJVQB-ZDUSSCGKSA-N 1 3 279.428 1.483 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[C@H]1CCCCO1 ZINC000305802861 751648864 /nfs/dbraw/zinc/64/88/64/751648864.db2.gz FEXYIAWMOLOZCZ-HUUCEWRRSA-N 1 3 296.459 1.724 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCCSC ZINC000187050481 751689700 /nfs/dbraw/zinc/68/97/00/751689700.db2.gz TUOBWUFRQIVSSX-ZDUSSCGKSA-N 1 3 286.489 1.908 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071995844 751815866 /nfs/dbraw/zinc/81/58/66/751815866.db2.gz NZWQZCPVKZDSAK-HUUCEWRRSA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993762654 751977525 /nfs/dbraw/zinc/97/75/25/751977525.db2.gz QUKQPMUSLGXDNG-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO [NH2+]=C(NCCN1CCCCCC1)N1CCCCC1 ZINC000303902207 749667319 /nfs/dbraw/zinc/66/73/19/749667319.db2.gz TUINWSQZHKGLPD-UHFFFAOYSA-N 1 3 252.406 1.663 20 30 CDEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1ccc(C#N)cn1 ZINC000925893136 750248752 /nfs/dbraw/zinc/24/87/52/750248752.db2.gz LQNVXTVSTLYCQQ-OCCSQVGLSA-N 1 3 273.384 1.343 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015999403 750879171 /nfs/dbraw/zinc/87/91/71/750879171.db2.gz VBRCWEVWNDYEEE-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015999403 750879172 /nfs/dbraw/zinc/87/91/72/750879172.db2.gz VBRCWEVWNDYEEE-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO CC#CCN1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229768 751012405 /nfs/dbraw/zinc/01/24/05/751012405.db2.gz DHQFYGFKDRSLBD-HNNXBMFYSA-N 1 3 296.374 1.504 20 30 CDEDHO C[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)NC1CC1 ZINC000103337919 751043675 /nfs/dbraw/zinc/04/36/75/751043675.db2.gz DDIBFJUWQMBZGM-RYUDHWBXSA-N 1 3 252.406 1.434 20 30 CDEDHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC000931437355 751077022 /nfs/dbraw/zinc/07/70/22/751077022.db2.gz BJWICVFEGVFWKV-CVEARBPZSA-N 1 3 285.391 1.972 20 30 CDEDHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC000931437355 751077030 /nfs/dbraw/zinc/07/70/30/751077030.db2.gz BJWICVFEGVFWKV-CVEARBPZSA-N 1 3 285.391 1.972 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000303908295 752454207 /nfs/dbraw/zinc/45/42/07/752454207.db2.gz XLDXHNMTGHILFW-KBPBESRZSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035804960 752890914 /nfs/dbraw/zinc/89/09/14/752890914.db2.gz WQCBJHIBWXOJLS-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001031666613 753118598 /nfs/dbraw/zinc/11/85/98/753118598.db2.gz QRILSBPNCZCEBS-HNNXBMFYSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591712 753165011 /nfs/dbraw/zinc/16/50/11/753165011.db2.gz STNRVBHVSWWEOH-BQUFFADESA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020591712 753165018 /nfs/dbraw/zinc/16/50/18/753165018.db2.gz STNRVBHVSWWEOH-BQUFFADESA-N 1 3 285.819 1.173 20 30 CDEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NCCC ZINC000303871758 753273585 /nfs/dbraw/zinc/27/35/85/753273585.db2.gz GAYUTISCJNPLIS-ZDUSSCGKSA-N 1 3 254.422 1.955 20 30 CDEDHO C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050564642 753821322 /nfs/dbraw/zinc/82/13/22/753821322.db2.gz TVJAPBZNVJSIGC-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001121914578 913230866 /nfs/dbraw/zinc/23/08/66/913230866.db2.gz XKFHVVMJCWNSOC-KKUMJFAQSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001121914578 913230887 /nfs/dbraw/zinc/23/08/87/913230887.db2.gz XKFHVVMJCWNSOC-KKUMJFAQSA-N 1 3 281.444 1.907 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115573158 894248172 /nfs/dbraw/zinc/24/81/72/894248172.db2.gz KTNJWPNFZIUXON-HNNXBMFYSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666305 914115835 /nfs/dbraw/zinc/11/58/35/914115835.db2.gz JUJOPXOZKIQNJL-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705072 914167481 /nfs/dbraw/zinc/16/74/81/914167481.db2.gz QGXMHDSETWZMDN-CHWSQXEVSA-N 1 3 276.384 1.212 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797308 914317171 /nfs/dbraw/zinc/31/71/71/914317171.db2.gz NCFYJNHYCFMBOL-HZPDHXFCSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104812068 899533565 /nfs/dbraw/zinc/53/35/65/899533565.db2.gz KZQBHPVBERRYLB-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088105782 906321636 /nfs/dbraw/zinc/32/16/36/906321636.db2.gz CPEXAYUTQONBCO-OAGGEKHMSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088105782 906321646 /nfs/dbraw/zinc/32/16/46/906321646.db2.gz CPEXAYUTQONBCO-OAGGEKHMSA-N 1 3 291.439 1.295 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001483942347 915218104 /nfs/dbraw/zinc/21/81/04/915218104.db2.gz IRPIOCJNMHQFBT-HUUCEWRRSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779832 915958462 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CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475265 937059082 /nfs/dbraw/zinc/05/90/82/937059082.db2.gz GSIAVFUJWARWHU-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475265 937059085 /nfs/dbraw/zinc/05/90/85/937059085.db2.gz GSIAVFUJWARWHU-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201410278 926296674 /nfs/dbraw/zinc/29/66/74/926296674.db2.gz FJNWTFXLQBZPGQ-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799030 926410458 /nfs/dbraw/zinc/41/04/58/926410458.db2.gz HSLXOLZTMVQIGS-HNNXBMFYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086253920 926893981 /nfs/dbraw/zinc/89/39/81/926893981.db2.gz AWGUMUMOBCZPTM-BETUJISGSA-N 1 3 297.830 1.319 20 30 CDEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111925900 937255723 /nfs/dbraw/zinc/25/57/23/937255723.db2.gz 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C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793698 939704528 /nfs/dbraw/zinc/70/45/28/939704528.db2.gz SUGKQRHCLCCQQM-HUUCEWRRSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207749603 940238867 /nfs/dbraw/zinc/23/88/67/940238867.db2.gz AMGDLAZCXWEEQI-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207749603 940238869 /nfs/dbraw/zinc/23/88/69/940238869.db2.gz AMGDLAZCXWEEQI-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCN(CC[NH+]1CCC2(CN(C)C2)CC1)C(=O)OCC ZINC001209020555 940425344 /nfs/dbraw/zinc/42/53/44/940425344.db2.gz JMWHJYLWNPLIAU-UHFFFAOYSA-N 1 3 295.427 1.659 20 30 CDEDHO C=CCN(CCN1CCC2(C[NH+](C)C2)CC1)C(=O)OCC ZINC001209020555 940425345 /nfs/dbraw/zinc/42/53/45/940425345.db2.gz JMWHJYLWNPLIAU-UHFFFAOYSA-N 1 3 295.427 1.659 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209641259 940622064 /nfs/dbraw/zinc/62/20/64/940622064.db2.gz 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/nfs/dbraw/zinc/34/95/96/942349596.db2.gz KARFEOFRHUQJTM-KFWWJZLASA-N 1 3 279.428 1.367 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229212804 942433010 /nfs/dbraw/zinc/43/30/10/942433010.db2.gz CLRLCCFNYAUADG-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCOC1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246406271 948159500 /nfs/dbraw/zinc/15/95/00/948159500.db2.gz SRAMISASFYBOEB-RUXDESIVSA-N 1 3 283.416 1.073 20 30 CDEDHO C[C@H](CCCC#N)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617634 948347611 /nfs/dbraw/zinc/34/76/11/948347611.db2.gz HZTVOUVHZPGONM-RDBSUJKOSA-N 1 3 250.390 1.095 20 30 CDEDHO C#CCN(CC#C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865180 948438898 /nfs/dbraw/zinc/43/88/98/948438898.db2.gz SPRIRJZUWXZSJR-UHFFFAOYSA-N 1 3 253.349 1.619 20 30 CDEDHO N#C[C@@H]1C[C@@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934871 948530499 /nfs/dbraw/zinc/53/04/99/948530499.db2.gz CJDNGDZNXLXXFB-ZOBUZTSGSA-N 1 3 290.455 1.875 20 30 CDEDHO N#C[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246934871 948530506 /nfs/dbraw/zinc/53/05/06/948530506.db2.gz CJDNGDZNXLXXFB-ZOBUZTSGSA-N 1 3 290.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491811459 955476801 /nfs/dbraw/zinc/47/68/01/955476801.db2.gz XFDKRKGYGVOIKF-HOTGVXAUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001340267752 962852401 /nfs/dbraw/zinc/85/24/01/962852401.db2.gz WSROAIGWYIJWAI-FQUUOJAGSA-N 1 3 265.401 1.256 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001341435034 963412804 /nfs/dbraw/zinc/41/28/04/963412804.db2.gz QLENKDBGNLIXRU-DYEKYZERSA-N 1 3 251.374 1.010 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC001341629903 963489044 /nfs/dbraw/zinc/48/90/44/963489044.db2.gz LFXWAIQWIAZOMV-CYBMUJFWSA-N 1 3 253.390 1.272 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001341767614 963534880 /nfs/dbraw/zinc/53/48/80/963534880.db2.gz 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/nfs/dbraw/zinc/76/64/81/361766481.db2.gz BJSUOLCVBVNVPO-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635530436 361766488 /nfs/dbraw/zinc/76/64/88/361766488.db2.gz BJSUOLCVBVNVPO-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO N#CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000592438309 342692628 /nfs/dbraw/zinc/69/26/28/342692628.db2.gz JHBIXRUYZLSIIN-HNNXBMFYSA-N 1 3 292.427 1.199 20 30 CDEDHO N#C[C@H]1CCC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000602020494 344316781 /nfs/dbraw/zinc/31/67/81/344316781.db2.gz KLPXSHDIXFLRMS-KBPBESRZSA-N 1 3 285.395 1.985 20 30 CDEDHO N#CCN1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000611104153 346609200 /nfs/dbraw/zinc/60/92/00/346609200.db2.gz CCQBRVNEDWGGOE-GJZGRUSLSA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000611104153 346609202 /nfs/dbraw/zinc/60/92/02/346609202.db2.gz CCQBRVNEDWGGOE-GJZGRUSLSA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000611104153 346609203 /nfs/dbraw/zinc/60/92/03/346609203.db2.gz CCQBRVNEDWGGOE-GJZGRUSLSA-N 1 3 262.401 1.191 20 30 CDEDHO CNC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000264066279 362957052 /nfs/dbraw/zinc/95/70/52/362957052.db2.gz BGELAOQQIUXLLM-UHFFFAOYSA-N 1 3 289.427 1.123 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C[NH3+])CCCC)CC1 ZINC000417520124 377824932 /nfs/dbraw/zinc/82/49/32/377824932.db2.gz BUADJBZILKZNFO-CQSZACIVSA-N 1 3 282.432 1.454 20 30 CDEDHO COCCC[NH+]1CCC(N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000442778550 391029814 /nfs/dbraw/zinc/02/98/14/391029814.db2.gz HDQXSFHXLZZWIA-ZFWWWQNUSA-N 1 3 265.401 1.769 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345807524 391311757 /nfs/dbraw/zinc/31/17/57/391311757.db2.gz QFMIXUOYWFLMJK-GOEBONIOSA-N 1 3 285.391 1.827 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345807524 391311763 /nfs/dbraw/zinc/31/17/63/391311763.db2.gz QFMIXUOYWFLMJK-GOEBONIOSA-N 1 3 285.391 1.827 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000238078884 131076038 /nfs/dbraw/zinc/07/60/38/131076038.db2.gz OSWADIKVJJYKMQ-INIZCTEOSA-N 1 3 287.407 1.323 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357959072 266389495 /nfs/dbraw/zinc/38/94/95/266389495.db2.gz ODZDJLCLEXPMMZ-AWEZNQCLSA-N 1 3 296.459 1.665 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357959072 266389498 /nfs/dbraw/zinc/38/94/98/266389498.db2.gz ODZDJLCLEXPMMZ-AWEZNQCLSA-N 1 3 296.459 1.665 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCNC(C)(C)C2)CC1 ZINC000334911601 277775276 /nfs/dbraw/zinc/77/52/76/277775276.db2.gz SYECJQVCQMMOGD-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO C[NH+]1CCC(CCNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000560807384 293034479 /nfs/dbraw/zinc/03/44/79/293034479.db2.gz NEGWVCMSQLIWBE-UHFFFAOYSA-N 1 3 298.394 1.422 20 30 CDEDHO CN1CC[N@H+](CCCNCCC#N)[C@H](c2ccccc2)C1 ZINC000569228785 327057910 /nfs/dbraw/zinc/05/79/10/327057910.db2.gz HRDQEFRCUZVRGW-KRWDZBQOSA-N 1 3 286.423 1.868 20 30 CDEDHO CN1CC[N@@H+](CCCNCCC#N)[C@H](c2ccccc2)C1 ZINC000569228785 327057911 /nfs/dbraw/zinc/05/79/11/327057911.db2.gz HRDQEFRCUZVRGW-KRWDZBQOSA-N 1 3 286.423 1.868 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC1(C)C ZINC000262398710 330012603 /nfs/dbraw/zinc/01/26/03/330012603.db2.gz NGSUTWYEEVRSGU-NEPJUHHUSA-N 1 3 252.406 1.421 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@]1(C)C(C)C ZINC000263072301 330042166 /nfs/dbraw/zinc/04/21/66/330042166.db2.gz GWFZXJUUICTGOW-NFAWXSAZSA-N 1 3 266.433 1.810 20 30 CDEDHO CC(C)C[C@@H](CNC(=O)[C@H](N)CCCC#N)[NH+](C)C ZINC000424137058 330273406 /nfs/dbraw/zinc/27/34/06/330273406.db2.gz RNVVZXICGGDLPD-QWHCGFSZSA-N 1 3 268.405 1.100 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424139480 330279060 /nfs/dbraw/zinc/27/90/60/330279060.db2.gz ANMCRVVQCOVBKQ-KBPBESRZSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424139480 330279062 /nfs/dbraw/zinc/27/90/62/330279062.db2.gz ANMCRVVQCOVBKQ-KBPBESRZSA-N 1 3 280.416 1.244 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424452146 330352608 /nfs/dbraw/zinc/35/26/08/330352608.db2.gz GLTOWZTUWIBLGG-HUUCEWRRSA-N 1 3 294.443 1.596 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000491766683 332334661 /nfs/dbraw/zinc/33/46/61/332334661.db2.gz HFHZUMQIZVKBQQ-AWEZNQCLSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000491766683 332334662 /nfs/dbraw/zinc/33/46/62/332334662.db2.gz HFHZUMQIZVKBQQ-AWEZNQCLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001754648692 1159409082 /nfs/dbraw/zinc/40/90/82/1159409082.db2.gz DLBZESRUSRKCGM-MRXNPFEDSA-N 1 3 293.455 1.921 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000747403828 576868942 /nfs/dbraw/zinc/86/89/42/576868942.db2.gz APDGGVJHWSHZGY-GASCZTMLSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812951 613313709 /nfs/dbraw/zinc/31/37/09/613313709.db2.gz PEWWAFBRWPLPFI-OAHLLOKOSA-N 1 3 290.411 1.841 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812951 613313711 /nfs/dbraw/zinc/31/37/11/613313711.db2.gz PEWWAFBRWPLPFI-OAHLLOKOSA-N 1 3 290.411 1.841 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013528 613679772 /nfs/dbraw/zinc/67/97/72/613679772.db2.gz UMGGLGWOUVEBTJ-LSDHHAIUSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013528 613679773 /nfs/dbraw/zinc/67/97/73/613679773.db2.gz UMGGLGWOUVEBTJ-LSDHHAIUSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779635 613704116 /nfs/dbraw/zinc/70/41/16/613704116.db2.gz QPNRUBPLMPPCFD-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779635 613704117 /nfs/dbraw/zinc/70/41/17/613704117.db2.gz QPNRUBPLMPPCFD-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CC[C@H](CO)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895963021 619924070 /nfs/dbraw/zinc/92/40/70/619924070.db2.gz FTTSUMZDLSPEKA-OAHLLOKOSA-N 1 3 252.402 1.471 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911865510 629577266 /nfs/dbraw/zinc/57/72/66/629577266.db2.gz RUJQPZUGTXAMDS-BPCQOVAHSA-N 1 3 253.390 1.398 20 30 CDEDHO CC(C)(C)NC(NC[C@@H]1CN2CCC[C@H]2CO1)=[NH+]C1CC1 ZINC000912507108 630048134 /nfs/dbraw/zinc/04/81/34/630048134.db2.gz VBPLEWPODMUHMA-UONOGXRCSA-N 1 3 294.443 1.346 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566909690 1168462993 /nfs/dbraw/zinc/46/29/93/1168462993.db2.gz CWGRDEHBJBQDNU-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[C@H](C(=O)OC)N1CCC2(C1)CC[NH2+]CC2 ZINC001574888326 1171037678 /nfs/dbraw/zinc/03/76/78/1171037678.db2.gz HOMGPYSSOOXEGZ-GFCCVEGCSA-N 1 3 252.358 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCC=C)CC1 ZINC001754254575 1185532729 /nfs/dbraw/zinc/53/27/29/1185532729.db2.gz HKNNSZSEWFQJPT-CQSZACIVSA-N 1 3 277.412 1.002 20 30 CDEDHO C#CCC[NH+]1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001754631634 1185689369 /nfs/dbraw/zinc/68/93/69/1185689369.db2.gz XCANELNXRBLSMY-UHFFFAOYSA-N 1 3 279.428 1.322 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001755748185 1186056383 /nfs/dbraw/zinc/05/63/83/1186056383.db2.gz RSMFHXZHGRFQBO-UONOGXRCSA-N 1 3 290.411 1.711 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001019820561 755598973 /nfs/dbraw/zinc/59/89/73/755598973.db2.gz PGNIHNNVKIOJTM-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992437880 753855899 /nfs/dbraw/zinc/85/58/99/753855899.db2.gz XZCWMGNCTIEZPG-PBHICJAKSA-N 1 3 289.423 1.381 20 30 CDEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005992972 754519274 /nfs/dbraw/zinc/51/92/74/754519274.db2.gz WGXOFSYADPGCHP-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO CCN(CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)CC(C)C ZINC000303773742 754707644 /nfs/dbraw/zinc/70/76/44/754707644.db2.gz FKFGFGBTRCUZMT-KBPBESRZSA-N 1 3 286.464 1.682 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603139 754779929 /nfs/dbraw/zinc/77/99/29/754779929.db2.gz QNRBLHJTRPWXNU-GJZGRUSLSA-N 1 3 277.412 1.189 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC(F)(F)F ZINC000304736993 754825449 /nfs/dbraw/zinc/82/54/49/754825449.db2.gz AJHDEZKUMAZENE-VIFPVBQESA-N 1 3 266.311 1.327 20 30 CDEDHO C#CC[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC000823187483 754978315 /nfs/dbraw/zinc/97/83/15/754978315.db2.gz GYPVQYKEYOKZHG-UHFFFAOYSA-N 1 3 267.417 1.036 20 30 CDEDHO C#CC[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC000823187483 754978321 /nfs/dbraw/zinc/97/83/21/754978321.db2.gz GYPVQYKEYOKZHG-UHFFFAOYSA-N 1 3 267.417 1.036 20 30 CDEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041405085 755264072 /nfs/dbraw/zinc/26/40/72/755264072.db2.gz ZEGMSYMLDUHCGT-NVXWUHKLSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041405085 755264078 /nfs/dbraw/zinc/26/40/78/755264078.db2.gz ZEGMSYMLDUHCGT-NVXWUHKLSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032731286 755817606 /nfs/dbraw/zinc/81/76/06/755817606.db2.gz HXKIERXDLKWGRJ-KKUMJFAQSA-N 1 3 277.412 1.189 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032731286 755817607 /nfs/dbraw/zinc/81/76/07/755817607.db2.gz HXKIERXDLKWGRJ-KKUMJFAQSA-N 1 3 277.412 1.189 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036191796 755838628 /nfs/dbraw/zinc/83/86/28/755838628.db2.gz HIWDJXJLEXEUOZ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857234856 755933520 /nfs/dbraw/zinc/93/35/20/755933520.db2.gz NULOBDMDIJTAPW-BFHYXJOUSA-N 1 3 267.417 1.750 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818369 756012220 /nfs/dbraw/zinc/01/22/20/756012220.db2.gz BDGHDTFCMTVKNS-ARKGTOAJSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818369 756012225 /nfs/dbraw/zinc/01/22/25/756012225.db2.gz BDGHDTFCMTVKNS-ARKGTOAJSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999404187 756407447 /nfs/dbraw/zinc/40/74/47/756407447.db2.gz TYEWOZVLVKZMRL-HSBZDZAISA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001031665808 757111039 /nfs/dbraw/zinc/11/10/39/757111039.db2.gz HZNXEHDPRCFCJC-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050681313 757228274 /nfs/dbraw/zinc/22/82/74/757228274.db2.gz FTFQKDOMRUDYHV-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562131 757300053 /nfs/dbraw/zinc/30/00/53/757300053.db2.gz JAVWBZHJDVSXHO-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562131 757300056 /nfs/dbraw/zinc/30/00/56/757300056.db2.gz JAVWBZHJDVSXHO-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576459 758063075 /nfs/dbraw/zinc/06/30/75/758063075.db2.gz PIQMPJWKMSQVEO-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576459 758063091 /nfs/dbraw/zinc/06/30/91/758063091.db2.gz PIQMPJWKMSQVEO-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050131528 758802358 /nfs/dbraw/zinc/80/23/58/758802358.db2.gz ZROHAOQQGFTOMU-JKSUJKDBSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[C@H]1CC[C@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900137 1167642546 /nfs/dbraw/zinc/64/25/46/1167642546.db2.gz RPZABQOXQNDTKF-RYUDHWBXSA-N 1 3 261.373 1.257 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001121957262 913294673 /nfs/dbraw/zinc/29/46/73/913294673.db2.gz RBYFWGZYWSMPJW-QLFBSQMISA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001121957262 913294682 /nfs/dbraw/zinc/29/46/82/913294682.db2.gz RBYFWGZYWSMPJW-QLFBSQMISA-N 1 3 279.428 1.613 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020925171 894751517 /nfs/dbraw/zinc/75/15/17/894751517.db2.gz IVCAFCWEVZVGGP-JHJVBQTASA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020925171 894751533 /nfs/dbraw/zinc/75/15/33/894751533.db2.gz IVCAFCWEVZVGGP-JHJVBQTASA-N 1 3 285.819 1.318 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206273917 914149456 /nfs/dbraw/zinc/14/94/56/914149456.db2.gz DRNPEQMKDQTWCS-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176884304 914338894 /nfs/dbraw/zinc/33/88/94/914338894.db2.gz AYQLFSFHVOLNFV-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167815302 901050782 /nfs/dbraw/zinc/05/07/82/901050782.db2.gz QDAGNMKFYRJNDG-UHFFFAOYSA-N 1 3 279.428 1.228 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240633 918403106 /nfs/dbraw/zinc/40/31/06/918403106.db2.gz NJAUEMPSHIQTEI-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184858263 919314101 /nfs/dbraw/zinc/31/41/01/919314101.db2.gz IXLPHYSFGRHXDL-RRFJBIMHSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158470 920906672 /nfs/dbraw/zinc/90/66/72/920906672.db2.gz PKSGLDPOIZJXHM-LSDHHAIUSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203046977 936724326 /nfs/dbraw/zinc/72/43/26/936724326.db2.gz MPGBKRABPHNRQA-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419672 924212130 /nfs/dbraw/zinc/21/21/30/924212130.db2.gz JYWVDXXMVQWREW-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400163 936970684 /nfs/dbraw/zinc/97/06/84/936970684.db2.gz JKYWZZFGVZXOQG-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400163 936970686 /nfs/dbraw/zinc/97/06/86/936970686.db2.gz JKYWZZFGVZXOQG-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC/C=C\CC)CC1 ZINC001152323947 925102906 /nfs/dbraw/zinc/10/29/06/925102906.db2.gz IBPSZXFYVHJSAB-WAYWQWQTSA-N 1 3 291.439 1.394 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001085405922 925934708 /nfs/dbraw/zinc/93/47/08/925934708.db2.gz FPJZRAUILBQVCH-CHWSQXEVSA-N 1 3 276.384 1.464 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589647 926196480 /nfs/dbraw/zinc/19/64/80/926196480.db2.gz QEYHHHIOIPCEAP-JKSUJKDBSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589647 926196489 /nfs/dbraw/zinc/19/64/89/926196489.db2.gz QEYHHHIOIPCEAP-JKSUJKDBSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629601 926230460 /nfs/dbraw/zinc/23/04/60/926230460.db2.gz YBSHYPLWUNJAPI-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629601 926230469 /nfs/dbraw/zinc/23/04/69/926230469.db2.gz YBSHYPLWUNJAPI-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086478740 927184297 /nfs/dbraw/zinc/18/42/97/927184297.db2.gz YPWWUTNRFFEKMT-FMKGYKFTSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086478740 927184303 /nfs/dbraw/zinc/18/43/03/927184303.db2.gz YPWWUTNRFFEKMT-FMKGYKFTSA-N 1 3 299.846 1.421 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435266 937142057 /nfs/dbraw/zinc/14/20/57/937142057.db2.gz YRYAHEGYEFNRDK-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435266 937142059 /nfs/dbraw/zinc/14/20/59/937142059.db2.gz YRYAHEGYEFNRDK-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO CC#CC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152246106 937347908 /nfs/dbraw/zinc/34/79/08/937347908.db2.gz RIFIJDZIKJYGFN-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501704 937449377 /nfs/dbraw/zinc/44/93/77/937449377.db2.gz RVBXRTRDQQDAFZ-QLFBSQMISA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501704 937449379 /nfs/dbraw/zinc/44/93/79/937449379.db2.gz RVBXRTRDQQDAFZ-QLFBSQMISA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275975828 932190796 /nfs/dbraw/zinc/19/07/96/932190796.db2.gz POLSDIJHCUIQOH-UHFFFAOYSA-N 1 3 286.423 1.694 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]C(C)C)CC1 ZINC001146610916 932271139 /nfs/dbraw/zinc/27/11/39/932271139.db2.gz KUENXHUNSQLSQS-CABCVRRESA-N 1 3 293.455 1.613 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866932 938833991 /nfs/dbraw/zinc/83/39/91/938833991.db2.gz DNHDSYPLPXIVOW-KGLIPLIRSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866932 938833992 /nfs/dbraw/zinc/83/39/92/938833992.db2.gz DNHDSYPLPXIVOW-KGLIPLIRSA-N 1 3 299.846 1.852 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020666 938856813 /nfs/dbraw/zinc/85/68/13/938856813.db2.gz HGENXNULKMSBEM-UHFFFAOYSA-N 1 3 291.439 1.653 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851862 939645035 /nfs/dbraw/zinc/64/50/35/939645035.db2.gz IYKDMHHONHBEDA-ZDUSSCGKSA-N 1 3 255.406 1.389 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208013677 940278814 /nfs/dbraw/zinc/27/88/14/940278814.db2.gz JAZIVAVBKKXGQV-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCN(CC[N@H+](CC)CCCN(C)C)C(=O)OCC ZINC001209020827 940425164 /nfs/dbraw/zinc/42/51/64/940425164.db2.gz OKVKGWFUFHKLSA-UHFFFAOYSA-N 1 3 285.432 1.905 20 30 CDEDHO C=CCN(CC[N@@H+](CC)CCCN(C)C)C(=O)OCC ZINC001209020827 940425166 /nfs/dbraw/zinc/42/51/66/940425166.db2.gz OKVKGWFUFHKLSA-UHFFFAOYSA-N 1 3 285.432 1.905 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642970 940622048 /nfs/dbraw/zinc/62/20/48/940622048.db2.gz QUZWPGDIVDWBID-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211258178 940742865 /nfs/dbraw/zinc/74/28/65/940742865.db2.gz ZPBKTLCWNRCWKF-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215541065 940893231 /nfs/dbraw/zinc/89/32/31/940893231.db2.gz WHZLGINAXSRNBH-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844888 940969332 /nfs/dbraw/zinc/96/93/32/940969332.db2.gz NAGUKIJITTYIGG-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224545994 941767468 /nfs/dbraw/zinc/76/74/68/941767468.db2.gz DXECKFOPTHCPMO-CQSZACIVSA-N 1 3 279.428 1.342 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001277979696 944423424 /nfs/dbraw/zinc/42/34/24/944423424.db2.gz ACPUFFGQVXQKJY-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[C@@H](O)CN1CCN(CCC[NH+](CC)CC)CC1 ZINC001252600086 951495014 /nfs/dbraw/zinc/49/50/14/951495014.db2.gz WKFJSZVETKWXHK-QGZVFWFLSA-N 1 3 297.487 1.663 20 30 CDEDHO CCc1cccc(OC[C@H](O)C[NH2+]CC#CCN(C)C)c1 ZINC001335969426 960129153 /nfs/dbraw/zinc/12/91/53/960129153.db2.gz UDNXYRUXSHVYEX-MRXNPFEDSA-N 1 3 290.407 1.143 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001341605548 963480359 /nfs/dbraw/zinc/48/03/59/963480359.db2.gz OKYCZNRSDHEONV-GJZGRUSLSA-N 1 3 279.428 1.757 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001342174264 963662589 /nfs/dbraw/zinc/66/25/89/963662589.db2.gz OUBDYIDVSAVUFE-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001441422094 964508250 /nfs/dbraw/zinc/50/82/50/964508250.db2.gz ZJXMIYAUBDTBOU-JHJVBQTASA-N 1 3 287.835 1.562 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC001353507300 968026101 /nfs/dbraw/zinc/02/61/01/968026101.db2.gz BAYOSZXUAMSBAV-CHWSQXEVSA-N 1 3 255.406 1.517 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265583 1163218627 /nfs/dbraw/zinc/21/86/27/1163218627.db2.gz PBRIMPZGLWRRDG-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345940 1163648628 /nfs/dbraw/zinc/64/86/28/1163648628.db2.gz IITZCZJDWZICRK-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO N#Cc1ccc(CCN2CCC(OCCC[NH3+])CC2)cc1 ZINC000595889615 343181625 /nfs/dbraw/zinc/18/16/25/343181625.db2.gz AIQKQYPYVNKZII-UHFFFAOYSA-N 1 3 287.407 1.931 20 30 CDEDHO CC1CCN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598705152 343877383 /nfs/dbraw/zinc/87/73/83/343877383.db2.gz ZLJXBQWIIRSNGD-HNNXBMFYSA-N 1 3 281.444 1.999 20 30 CDEDHO CC1CC[NH+](CCCNC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598705152 343877385 /nfs/dbraw/zinc/87/73/85/343877385.db2.gz ZLJXBQWIIRSNGD-HNNXBMFYSA-N 1 3 281.444 1.999 20 30 CDEDHO CC(C#N)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603406626 344804001 /nfs/dbraw/zinc/80/40/01/344804001.db2.gz MYNMNYNRJUFYPR-CYBMUJFWSA-N 1 3 251.374 1.871 20 30 CDEDHO CNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264076402 362959747 /nfs/dbraw/zinc/95/97/47/362959747.db2.gz FVRMOLINASLXFR-LLVKDONJSA-N 1 3 266.414 1.494 20 30 CDEDHO CC(C)CNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264096271 362965214 /nfs/dbraw/zinc/96/52/14/362965214.db2.gz LYJTUHQESPAROG-UHFFFAOYSA-N 1 3 292.427 1.687 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)C(C)C ZINC000296361811 199866457 /nfs/dbraw/zinc/86/64/57/199866457.db2.gz JNMOQIMRTKKLRF-HOCLYGCPSA-N 1 3 293.455 1.942 20 30 CDEDHO C=CCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572133489 377734879 /nfs/dbraw/zinc/73/48/79/377734879.db2.gz CUPWPEQIBIOYDH-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309667228 391268106 /nfs/dbraw/zinc/26/81/06/391268106.db2.gz ACKDZMXOAWMUPN-HIFRSBDPSA-N 1 3 271.364 1.784 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309667228 391268111 /nfs/dbraw/zinc/26/81/11/391268111.db2.gz ACKDZMXOAWMUPN-HIFRSBDPSA-N 1 3 271.364 1.784 20 30 CDEDHO CN(C)CCOc1cc(CNC(=[NH2+])NC(C)(C)C)ccn1 ZINC000270597515 391278038 /nfs/dbraw/zinc/27/80/38/391278038.db2.gz UYQXLULZSCICEX-UHFFFAOYSA-N 1 3 293.415 1.225 20 30 CDEDHO C[C@@H](CN)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423315248 392959993 /nfs/dbraw/zinc/95/99/93/392959993.db2.gz ZIXBNZGMZLEPJS-ZDUSSCGKSA-N 1 3 272.396 1.711 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000423278385 392960412 /nfs/dbraw/zinc/96/04/12/392960412.db2.gz PTOPZITZOBNCDI-GOSISDBHSA-N 1 3 298.434 1.850 20 30 CDEDHO C[NH+]=C(NCc1ccccn1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158255889 261161796 /nfs/dbraw/zinc/16/17/96/261161796.db2.gz ZORCBQAGJJAANJ-HIFRSBDPSA-N 1 3 289.427 1.475 20 30 CDEDHO C=CCNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179712310 261810737 /nfs/dbraw/zinc/81/07/37/261810737.db2.gz FNFNUCKEYLJJLU-UHFFFAOYSA-N 1 3 273.384 1.388 20 30 CDEDHO CN(C(=[NH2+])NCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000273328773 263015600 /nfs/dbraw/zinc/01/56/00/263015600.db2.gz IRUYCPDMEWMZBO-UHFFFAOYSA-N 1 3 287.411 1.707 20 30 CDEDHO C[C@H]1CN(CCC(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345952300 300253898 /nfs/dbraw/zinc/25/38/98/300253898.db2.gz NEHNRLAXSGTHED-HOTGVXAUSA-N 1 3 292.471 1.884 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)c1 ZINC000264146052 328157658 /nfs/dbraw/zinc/15/76/58/328157658.db2.gz XWPKJQRPASCUOX-OAHLLOKOSA-N 1 3 274.412 1.884 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422861794 330158225 /nfs/dbraw/zinc/15/82/25/330158225.db2.gz OZRPNIFITHOFSS-GJZGRUSLSA-N 1 3 251.418 1.886 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCC#N ZINC000424160793 330306286 /nfs/dbraw/zinc/30/62/86/330306286.db2.gz UVDLPVACLUDVNA-HUUCEWRRSA-N 1 3 294.443 1.778 20 30 CDEDHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCC#N ZINC000424160793 330306287 /nfs/dbraw/zinc/30/62/87/330306287.db2.gz UVDLPVACLUDVNA-HUUCEWRRSA-N 1 3 294.443 1.778 20 30 CDEDHO C[C@@H]1CCC[C@](CNC(=O)[C@H](N)CCCC#N)([NH+](C)C)C1 ZINC000424163974 330308272 /nfs/dbraw/zinc/30/82/72/330308272.db2.gz YMADJSPKQRKGNG-FMKPAKJESA-N 1 3 294.443 1.634 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000451682201 331038985 /nfs/dbraw/zinc/03/89/85/331038985.db2.gz OCRYQUIJORTIEA-SJORKVTESA-N 1 3 295.471 1.726 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000165198323 331306071 /nfs/dbraw/zinc/30/60/71/331306071.db2.gz UQRWDVGNXKEVSY-CQSZACIVSA-N 1 3 281.444 1.786 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674276 613283103 /nfs/dbraw/zinc/28/31/03/613283103.db2.gz PCJODPZGAWMAMQ-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674276 613283104 /nfs/dbraw/zinc/28/31/04/613283104.db2.gz PCJODPZGAWMAMQ-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330431 613283545 /nfs/dbraw/zinc/28/35/45/613283545.db2.gz GFTGDJVPWQQUHL-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330431 613283546 /nfs/dbraw/zinc/28/35/46/613283546.db2.gz GFTGDJVPWQQUHL-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971778592 613289326 /nfs/dbraw/zinc/28/93/26/613289326.db2.gz ONVIDVQOQRNIFO-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971778592 613289327 /nfs/dbraw/zinc/28/93/27/613289327.db2.gz ONVIDVQOQRNIFO-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971777516 613626305 /nfs/dbraw/zinc/62/63/05/613626305.db2.gz DOZLECBBHKXUMU-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739072 629459557 /nfs/dbraw/zinc/45/95/57/629459557.db2.gz PJERVSYRNGMWNH-UONOGXRCSA-N 1 3 269.433 1.872 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000911825997 629553926 /nfs/dbraw/zinc/55/39/26/629553926.db2.gz PLNJVLAPKFNYNC-RWMBFGLXSA-N 1 3 253.390 1.256 20 30 CDEDHO CCC[NH+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912509771 630049612 /nfs/dbraw/zinc/04/96/12/630049612.db2.gz QGAKEXHQVUFBBW-ZIAGYGMSSA-N 1 3 296.459 1.593 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC001573311115 1170653695 /nfs/dbraw/zinc/65/36/95/1170653695.db2.gz XQOFLCVEFJENDE-GFCCVEGCSA-N 1 3 255.406 1.326 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCCF)CC1 ZINC001752120817 1184821318 /nfs/dbraw/zinc/82/13/18/1184821318.db2.gz CNSUWDQVWPKLSF-UHFFFAOYSA-N 1 3 297.418 1.129 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCCF)CC1 ZINC001752120817 1184821324 /nfs/dbraw/zinc/82/13/24/1184821324.db2.gz CNSUWDQVWPKLSF-UHFFFAOYSA-N 1 3 297.418 1.129 20 30 CDEDHO CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001752460756 1184865901 /nfs/dbraw/zinc/86/59/01/1184865901.db2.gz RRGHBPPJKGZIFI-JKSUJKDBSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001753018097 1184996936 /nfs/dbraw/zinc/99/69/36/1184996936.db2.gz FCKHPWFEKKWLRG-LLVKDONJSA-N 1 3 264.373 1.321 20 30 CDEDHO C=CCN(CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001753160170 1185092390 /nfs/dbraw/zinc/09/23/90/1185092390.db2.gz UOYDHRZXAPILQO-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN(CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001753160170 1185092393 /nfs/dbraw/zinc/09/23/93/1185092393.db2.gz UOYDHRZXAPILQO-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001753458001 1185217453 /nfs/dbraw/zinc/21/74/53/1185217453.db2.gz AFYQZEOLHSZPNA-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001754025737 1185430212 /nfs/dbraw/zinc/43/02/12/1185430212.db2.gz PPPXIASRDOACHR-GFCCVEGCSA-N 1 3 275.824 1.564 20 30 CDEDHO C=C(C)C[NH2+]CCN(CC)C(=O)CN(C)C1CCC1 ZINC001754050091 1185442462 /nfs/dbraw/zinc/44/24/62/1185442462.db2.gz IYZVGJJIIMDWED-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CC(=C)C)CC2)CC1 ZINC001754536204 1185662836 /nfs/dbraw/zinc/66/28/36/1185662836.db2.gz VSFUVFZCKRPKRP-UHFFFAOYSA-N 1 3 289.423 1.146 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868202 1185753391 /nfs/dbraw/zinc/75/33/91/1185753391.db2.gz NIQTZANQMXQJLE-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001754956053 1185770422 /nfs/dbraw/zinc/77/04/22/1185770422.db2.gz AJWVPTVPNXJXBJ-BZUAXINKSA-N 1 3 291.439 1.226 20 30 CDEDHO C#CCC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001755129176 1185826726 /nfs/dbraw/zinc/82/67/26/1185826726.db2.gz GTHYQJDWHFCMBF-UHFFFAOYSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001755526179 1185979886 /nfs/dbraw/zinc/97/98/86/1185979886.db2.gz BTRWARTXWOKEOT-GJZGRUSLSA-N 1 3 279.428 1.369 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001755735661 1186053051 /nfs/dbraw/zinc/05/30/51/1186053051.db2.gz LMNOFZHFYFCTBQ-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848719404 758955666 /nfs/dbraw/zinc/95/56/66/758955666.db2.gz DHXZQVYEVJMTAZ-ZIAGYGMSSA-N 1 3 259.353 1.948 20 30 CDEDHO N#CC1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925653624 758990937 /nfs/dbraw/zinc/99/09/37/758990937.db2.gz IKHAZNZCAWCQHT-OTSVQJDGSA-N 1 3 259.397 1.902 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406710 769827360 /nfs/dbraw/zinc/82/73/60/769827360.db2.gz PSMPICFPBHJKRT-IYXRBSQSSA-N 1 3 299.846 1.802 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128792 768839733 /nfs/dbraw/zinc/83/97/33/768839733.db2.gz KIESBASXKXAQME-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)nc1 ZINC000304763336 769001222 /nfs/dbraw/zinc/00/12/22/769001222.db2.gz WRLLYVUEUVFNJT-OAHLLOKOSA-N 1 3 289.427 1.321 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001033127565 769350263 /nfs/dbraw/zinc/35/02/63/769350263.db2.gz VUYBHTHSCCJJNT-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001033127565 769350278 /nfs/dbraw/zinc/35/02/78/769350278.db2.gz VUYBHTHSCCJJNT-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001000098142 769819870 /nfs/dbraw/zinc/81/98/70/769819870.db2.gz BGAMOGQTIPMQLU-ZIAGYGMSSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406710 769827359 /nfs/dbraw/zinc/82/73/59/769827359.db2.gz PSMPICFPBHJKRT-IYXRBSQSSA-N 1 3 299.846 1.802 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744425 769865289 /nfs/dbraw/zinc/86/52/89/769865289.db2.gz OWHHHSYGWIRMIL-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044630453 769867758 /nfs/dbraw/zinc/86/77/58/769867758.db2.gz WLOSMURDJQTCPM-KBPBESRZSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995895937 770516232 /nfs/dbraw/zinc/51/62/32/770516232.db2.gz NEDZJEJIPQCBTR-UONOGXRCSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001027451968 770859957 /nfs/dbraw/zinc/85/99/57/770859957.db2.gz JAVWBZHJDVSXHO-GJZGRUSLSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001027451968 770859958 /nfs/dbraw/zinc/85/99/58/770859958.db2.gz JAVWBZHJDVSXHO-GJZGRUSLSA-N 1 3 281.444 1.681 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303891318 771031996 /nfs/dbraw/zinc/03/19/96/771031996.db2.gz QPPLJOJBJJAKII-UONOGXRCSA-N 1 3 284.448 1.580 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576460 771250220 /nfs/dbraw/zinc/25/02/20/771250220.db2.gz PIQMPJWKMSQVEO-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576460 771250232 /nfs/dbraw/zinc/25/02/32/771250232.db2.gz PIQMPJWKMSQVEO-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032780750 771323730 /nfs/dbraw/zinc/32/37/30/771323730.db2.gz CJCIAUMZYBSTPL-KKUMJFAQSA-N 1 3 277.412 1.189 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032780750 771323736 /nfs/dbraw/zinc/32/37/36/771323736.db2.gz CJCIAUMZYBSTPL-KKUMJFAQSA-N 1 3 277.412 1.189 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001037854550 771817710 /nfs/dbraw/zinc/81/77/10/771817710.db2.gz QQMAZJSXXTWKQW-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000998995925 772406990 /nfs/dbraw/zinc/40/69/90/772406990.db2.gz WEPFMVOGBDSEDR-RUXDESIVSA-N 1 3 299.846 1.802 20 30 CDEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005993122 772626770 /nfs/dbraw/zinc/62/67/70/772626770.db2.gz ZDKKUIYWVGKLFY-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039470349 772696297 /nfs/dbraw/zinc/69/62/97/772696297.db2.gz WTSFYVMLBHFSFQ-XHSDSOJGSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039470349 772696299 /nfs/dbraw/zinc/69/62/99/772696299.db2.gz WTSFYVMLBHFSFQ-XHSDSOJGSA-N 1 3 289.423 1.027 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537829 772886988 /nfs/dbraw/zinc/88/69/88/772886988.db2.gz SREGCENACXWICG-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537829 772886991 /nfs/dbraw/zinc/88/69/91/772886991.db2.gz SREGCENACXWICG-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[N@@H+](C)CCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000827114874 773118587 /nfs/dbraw/zinc/11/85/87/773118587.db2.gz PWCABXLTXVWLIV-OAHLLOKOSA-N 1 3 294.443 1.067 20 30 CDEDHO C#CC[N@H+](C)CCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000827114874 773118591 /nfs/dbraw/zinc/11/85/91/773118591.db2.gz PWCABXLTXVWLIV-OAHLLOKOSA-N 1 3 294.443 1.067 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998536314 773314974 /nfs/dbraw/zinc/31/49/74/773314974.db2.gz RFSQXUBUXWZIBW-RUXDESIVSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006410973 773632899 /nfs/dbraw/zinc/63/28/99/773632899.db2.gz MWSTYBLVBQOFHD-ZDUSSCGKSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006410973 773632924 /nfs/dbraw/zinc/63/29/24/773632924.db2.gz MWSTYBLVBQOFHD-ZDUSSCGKSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566910423 1168042287 /nfs/dbraw/zinc/04/22/87/1168042287.db2.gz SOAMFDJYEJQDJK-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566810910 1168430550 /nfs/dbraw/zinc/43/05/50/1168430550.db2.gz HWXSMMDYUPGMPQ-IHRRRGAJSA-N 1 3 267.417 1.386 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001208260908 894157104 /nfs/dbraw/zinc/15/71/04/894157104.db2.gz HLZPZTUBAJKSTG-CABCVRRESA-N 1 3 297.418 1.270 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106309219 913853339 /nfs/dbraw/zinc/85/33/39/913853339.db2.gz QIIQXWRSSNAXPO-MGPQQGTHSA-N 1 3 267.417 1.197 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167635168 897124522 /nfs/dbraw/zinc/12/45/22/897124522.db2.gz KZOFLIKZAFQPTG-OAHLLOKOSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728956 898926339 /nfs/dbraw/zinc/92/63/39/898926339.db2.gz JKTTZSPSRRULOB-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027578644 900621981 /nfs/dbraw/zinc/62/19/81/900621981.db2.gz PODCJMQXEDJYII-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027578644 900621989 /nfs/dbraw/zinc/62/19/89/900621989.db2.gz PODCJMQXEDJYII-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001482160608 902783533 /nfs/dbraw/zinc/78/35/33/902783533.db2.gz IHTNKMIMTFBCIR-CHWSQXEVSA-N 1 3 255.406 1.245 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088381749 907064843 /nfs/dbraw/zinc/06/48/43/907064843.db2.gz LJZHAALYTONQJG-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C[C@@H](CCCC#N)[NH+](CCN(C)C)CCN(C)C ZINC001172504310 911736756 /nfs/dbraw/zinc/73/67/56/911736756.db2.gz GKJYNOHQAGHGBO-AWEZNQCLSA-N 1 3 254.422 1.494 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580656 915909730 /nfs/dbraw/zinc/90/97/30/915909730.db2.gz LLGSNGRFICMNMH-OAHLLOKOSA-N 1 3 279.428 1.370 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181727915 917307990 /nfs/dbraw/zinc/30/79/90/917307990.db2.gz GBXAANWSNRQCKV-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161206778 936679164 /nfs/dbraw/zinc/67/91/64/936679164.db2.gz NWOHWZBHJRPAGM-OAHLLOKOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161206778 936679165 /nfs/dbraw/zinc/67/91/65/936679165.db2.gz NWOHWZBHJRPAGM-OAHLLOKOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192387151 923049435 /nfs/dbraw/zinc/04/94/35/923049435.db2.gz VHVITTSYXBJFII-AWEZNQCLSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192387151 923049448 /nfs/dbraw/zinc/04/94/48/923049448.db2.gz VHVITTSYXBJFII-AWEZNQCLSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152452204 925430146 /nfs/dbraw/zinc/43/01/46/925430146.db2.gz WPYYTPREBWLYSX-LSDHHAIUSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103664591 937150476 /nfs/dbraw/zinc/15/04/76/937150476.db2.gz KTMJNTRSSYAYKV-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103664591 937150478 /nfs/dbraw/zinc/15/04/78/937150478.db2.gz KTMJNTRSSYAYKV-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C[C@](C)(O)CN1CCN(CCC[NH+](CC)CC)CC1 ZINC001252556430 929213824 /nfs/dbraw/zinc/21/38/24/929213824.db2.gz CBEXCOFNIIZVMD-INIZCTEOSA-N 1 3 283.460 1.273 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001152148851 937339749 /nfs/dbraw/zinc/33/97/49/937339749.db2.gz SEBIHWHYEAGEJL-OKILXGFUSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475981 930225946 /nfs/dbraw/zinc/22/59/46/930225946.db2.gz HOCNGZAOCCVQOI-GJZGRUSLSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475980 930226939 /nfs/dbraw/zinc/22/69/39/930226939.db2.gz HOCNGZAOCCVQOI-CABCVRRESA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979322 930578521 /nfs/dbraw/zinc/57/85/21/930578521.db2.gz FLBZHFRVBIVRFU-KGLIPLIRSA-N 1 3 267.417 1.224 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437118 932475274 /nfs/dbraw/zinc/47/52/74/932475274.db2.gz KTPCEHRMHWSZKM-SUJAAXHWSA-N 1 3 289.423 1.071 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095437118 932475275 /nfs/dbraw/zinc/47/52/75/932475275.db2.gz KTPCEHRMHWSZKM-SUJAAXHWSA-N 1 3 289.423 1.071 20 30 CDEDHO N#Cc1ccc([C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904436 934834475 /nfs/dbraw/zinc/83/44/75/934834475.db2.gz KODSIHCAMZMQOU-RHSMWYFYSA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037904436 934834476 /nfs/dbraw/zinc/83/44/76/934834476.db2.gz KODSIHCAMZMQOU-RHSMWYFYSA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037904436 934834479 /nfs/dbraw/zinc/83/44/79/934834479.db2.gz KODSIHCAMZMQOU-RHSMWYFYSA-N 1 3 285.391 1.666 20 30 CDEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935493 937892332 /nfs/dbraw/zinc/89/23/32/937892332.db2.gz QEABDROVORLTGB-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464849 939566492 /nfs/dbraw/zinc/56/64/92/939566492.db2.gz MUUJBNVTLWYEOZ-UHFFFAOYSA-N 1 3 293.455 1.923 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521338 939690950 /nfs/dbraw/zinc/69/09/50/939690950.db2.gz ITYBPIVLHIFUML-GJZGRUSLSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799175 939792159 /nfs/dbraw/zinc/79/21/59/939792159.db2.gz SEFZWSDKLGEGNH-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457674 939890893 /nfs/dbraw/zinc/89/08/93/939890893.db2.gz KGBCFQQJGDQALN-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207261916 940173395 /nfs/dbraw/zinc/17/33/95/940173395.db2.gz CGSYPGGVIOWAIR-RBSFLKMASA-N 1 3 297.418 1.126 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207261916 940173397 /nfs/dbraw/zinc/17/33/97/940173397.db2.gz CGSYPGGVIOWAIR-RBSFLKMASA-N 1 3 297.418 1.126 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334517 940320404 /nfs/dbraw/zinc/32/04/04/940320404.db2.gz JGLOZLAYYBMQTI-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631618 940620408 /nfs/dbraw/zinc/62/04/08/940620408.db2.gz FZTHSQUZMKSEHH-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214905042 940844296 /nfs/dbraw/zinc/84/42/96/940844296.db2.gz VSSFJUFVVQQWNJ-KFWWJZLASA-N 1 3 279.428 1.032 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540596 940892827 /nfs/dbraw/zinc/89/28/27/940892827.db2.gz NJOABZSHQRNPMW-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001227980237 942251264 /nfs/dbraw/zinc/25/12/64/942251264.db2.gz PRMMUKSONFOKJG-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702545144 944648172 /nfs/dbraw/zinc/64/81/72/944648172.db2.gz PMDKXTROJCYFER-MRXNPFEDSA-N 1 3 260.381 1.789 20 30 CDEDHO C=C(C)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702545144 944648177 /nfs/dbraw/zinc/64/81/77/944648177.db2.gz PMDKXTROJCYFER-MRXNPFEDSA-N 1 3 260.381 1.789 20 30 CDEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3[C@H]4CNC[C@@H]3COC4)C[C@H](C1)C2 ZINC001246148977 947991522 /nfs/dbraw/zinc/99/15/22/947991522.db2.gz OYIYAAMWXHECKL-HQJVRCOQSA-N 1 3 276.424 1.945 20 30 CDEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246417743 948165026 /nfs/dbraw/zinc/16/50/26/948165026.db2.gz OTDBTNFDDVAMHV-WFASDCNBSA-N 1 3 288.395 1.062 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246556228 948266394 /nfs/dbraw/zinc/26/63/94/948266394.db2.gz DXMZSLOISMUMRC-YOEHRIQHSA-N 1 3 287.407 1.665 20 30 CDEDHO C#CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001251854811 950871835 /nfs/dbraw/zinc/87/18/35/950871835.db2.gz MIDYLILUANRCRS-ULQDDVLXSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001251854811 950871845 /nfs/dbraw/zinc/87/18/45/950871845.db2.gz MIDYLILUANRCRS-ULQDDVLXSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001251854811 950871858 /nfs/dbraw/zinc/87/18/58/950871858.db2.gz MIDYLILUANRCRS-ULQDDVLXSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001251854811 950871868 /nfs/dbraw/zinc/87/18/68/950871868.db2.gz MIDYLILUANRCRS-ULQDDVLXSA-N 1 3 294.439 1.336 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001341768945 963536617 /nfs/dbraw/zinc/53/66/17/963536617.db2.gz XHFZSWSEQCHVJD-AWEZNQCLSA-N 1 3 279.428 1.662 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001342052123 963622028 /nfs/dbraw/zinc/62/20/28/963622028.db2.gz JENMRYYCMWANEV-AVGNSLFASA-N 1 3 255.406 1.670 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001343489917 964008182 /nfs/dbraw/zinc/00/81/82/964008182.db2.gz ZNOZOYFLJIFLJD-ZDEQEGDKSA-N 1 3 253.390 1.173 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001351988165 967044870 /nfs/dbraw/zinc/04/48/70/967044870.db2.gz WJICOZNFULGMSY-HNNXBMFYSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001351988165 967044880 /nfs/dbraw/zinc/04/48/80/967044880.db2.gz WJICOZNFULGMSY-HNNXBMFYSA-N 1 3 294.443 1.372 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678320 968933710 /nfs/dbraw/zinc/93/37/10/968933710.db2.gz HIOKBIZJTNBYKR-NFOMZHRRSA-N 1 3 279.428 1.389 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC001357326826 969571108 /nfs/dbraw/zinc/57/11/08/969571108.db2.gz OGTYONAHRIYWBN-CQSZACIVSA-N 1 3 267.417 1.661 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376407777 974653235 /nfs/dbraw/zinc/65/32/35/974653235.db2.gz VKIKVCRYLVDCHU-HAQNSBGRSA-N 1 3 273.808 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001376407777 974653243 /nfs/dbraw/zinc/65/32/43/974653243.db2.gz VKIKVCRYLVDCHU-HAQNSBGRSA-N 1 3 273.808 1.318 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001574902600 1171044056 /nfs/dbraw/zinc/04/40/56/1171044056.db2.gz DCYSLUPVZGPHAW-KGLIPLIRSA-N 1 3 267.417 1.661 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3N)CC2)c1 ZINC000593323592 342788358 /nfs/dbraw/zinc/78/83/58/342788358.db2.gz QPNQBXVGCQVXFT-ZWKOTPCHSA-N 1 3 298.434 1.992 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000593323592 342788359 /nfs/dbraw/zinc/78/83/59/342788359.db2.gz QPNQBXVGCQVXFT-ZWKOTPCHSA-N 1 3 298.434 1.992 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781102 362089178 /nfs/dbraw/zinc/08/91/78/362089178.db2.gz LYGJFRDJMHNNKG-GJZGRUSLSA-N 1 3 264.417 1.296 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449548012 362756652 /nfs/dbraw/zinc/75/66/52/362756652.db2.gz KQUKFPLMCZDAEK-BARDWOONSA-N 1 3 250.386 1.936 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449548012 362756654 /nfs/dbraw/zinc/75/66/54/362756654.db2.gz KQUKFPLMCZDAEK-BARDWOONSA-N 1 3 250.386 1.936 20 30 CDEDHO CC#CCCN1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000360451381 368298852 /nfs/dbraw/zinc/29/88/52/368298852.db2.gz ZYNHDABTSQRIKD-HNNXBMFYSA-N 1 3 252.402 1.833 20 30 CDEDHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000567608587 371062911 /nfs/dbraw/zinc/06/29/11/371062911.db2.gz CSEVNHBWNASPRE-OAHLLOKOSA-N 1 3 294.443 1.586 20 30 CDEDHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000567608587 371062914 /nfs/dbraw/zinc/06/29/14/371062914.db2.gz CSEVNHBWNASPRE-OAHLLOKOSA-N 1 3 294.443 1.586 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)c2conc2C(C)(C)N)CC1 ZINC000580725530 372584640 /nfs/dbraw/zinc/58/46/40/372584640.db2.gz SWOGPAHZIPFIKW-UHFFFAOYSA-N 1 3 292.383 1.249 20 30 CDEDHO CN1CCN(CC[NH2+]Cc2ccc(C#N)s2)CC1(C)C ZINC000282464003 375087936 /nfs/dbraw/zinc/08/79/36/375087936.db2.gz UBWLAVKKJIKKPC-UHFFFAOYSA-N 1 3 292.452 1.735 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000247298479 377085900 /nfs/dbraw/zinc/08/59/00/377085900.db2.gz HSGSZCIMELVRMW-CABCVRRESA-N 1 3 254.418 1.977 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000247298479 377085905 /nfs/dbraw/zinc/08/59/05/377085905.db2.gz HSGSZCIMELVRMW-CABCVRRESA-N 1 3 254.418 1.977 20 30 CDEDHO C=CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363676091 390458641 /nfs/dbraw/zinc/45/86/41/390458641.db2.gz ZUIFKSDMXIZCQD-OKILXGFUSA-N 1 3 252.402 1.994 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000345811559 391315995 /nfs/dbraw/zinc/31/59/95/391315995.db2.gz HMTBVQCNKIATTF-STQMWFEESA-N 1 3 251.374 1.774 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000345811559 391316000 /nfs/dbraw/zinc/31/60/00/391316000.db2.gz HMTBVQCNKIATTF-STQMWFEESA-N 1 3 251.374 1.774 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000345811556 391316458 /nfs/dbraw/zinc/31/64/58/391316458.db2.gz HMTBVQCNKIATTF-CHWSQXEVSA-N 1 3 251.374 1.774 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000345811556 391316462 /nfs/dbraw/zinc/31/64/62/391316462.db2.gz HMTBVQCNKIATTF-CHWSQXEVSA-N 1 3 251.374 1.774 20 30 CDEDHO C[C@@H](CCC#N)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000411411003 391449066 /nfs/dbraw/zinc/44/90/66/391449066.db2.gz UMOVQATYZAWGJT-AWEZNQCLSA-N 1 3 266.433 1.636 20 30 CDEDHO C[C@@H](CCC#N)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000411411003 391449070 /nfs/dbraw/zinc/44/90/70/391449070.db2.gz UMOVQATYZAWGJT-AWEZNQCLSA-N 1 3 266.433 1.636 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCc2ccccc2OCCN(C)C)N1 ZINC000262477780 391790467 /nfs/dbraw/zinc/79/04/67/391790467.db2.gz CJPPVHPNPKHDKE-GFCCVEGCSA-N 1 3 276.384 1.064 20 30 CDEDHO C#CCNC(=O)CCNC[C@@H](C1CCCCC1)[NH+](C)C ZINC000491414201 392558246 /nfs/dbraw/zinc/55/82/46/392558246.db2.gz BTVJDRWDFWPTRA-HNNXBMFYSA-N 1 3 279.428 1.226 20 30 CDEDHO CCN(CC)C(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270580586 262989586 /nfs/dbraw/zinc/98/95/86/262989586.db2.gz QAPPFIBRNODREU-UHFFFAOYSA-N 1 3 293.415 1.179 20 30 CDEDHO C[C@H]1CN(CCCNC(=[NH2+])Nc2ccccn2)CCCO1 ZINC000277243204 263040465 /nfs/dbraw/zinc/04/04/65/263040465.db2.gz HLZFXDFYJPWACD-ZDUSSCGKSA-N 1 3 291.399 1.309 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290787 423921006 /nfs/dbraw/zinc/92/10/06/423921006.db2.gz KKRJTRHPGLTKHN-ZFWWWQNUSA-N 1 3 279.428 1.389 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563809268 328520606 /nfs/dbraw/zinc/52/06/06/328520606.db2.gz UTYGHPHYZXNLHW-CHWSQXEVSA-N 1 3 282.432 1.452 20 30 CDEDHO C=CCN1CC[C@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323513 329762482 /nfs/dbraw/zinc/76/24/82/329762482.db2.gz YKAZRVBLYIZNHE-CABCVRRESA-N 1 3 277.412 1.095 20 30 CDEDHO CC(C)(C)NCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262509991 330018811 /nfs/dbraw/zinc/01/88/11/330018811.db2.gz CTJBBTIUGQEOEY-ZDUSSCGKSA-N 1 3 290.411 1.803 20 30 CDEDHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424131741 330264004 /nfs/dbraw/zinc/26/40/04/330264004.db2.gz JQZRQDWXPGWEEC-GJZGRUSLSA-N 1 3 294.443 1.634 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000447543645 330869323 /nfs/dbraw/zinc/86/93/23/330869323.db2.gz RTLKTQHLUQCEOD-STQMWFEESA-N 1 3 251.374 1.115 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000491209482 332166331 /nfs/dbraw/zinc/16/63/31/332166331.db2.gz HVDBBORGSLXGFH-OAGGEKHMSA-N 1 3 263.429 1.404 20 30 CDEDHO C#CCNC(=O)CCNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000491669206 332276756 /nfs/dbraw/zinc/27/67/56/332276756.db2.gz NNZNRTANTLNVBU-OAHLLOKOSA-N 1 3 279.428 1.084 20 30 CDEDHO C#CCNC(=O)CCNC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000491669206 332276757 /nfs/dbraw/zinc/27/67/57/332276757.db2.gz NNZNRTANTLNVBU-OAHLLOKOSA-N 1 3 279.428 1.084 20 30 CDEDHO C#CCNC(=O)CC[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000491669206 332276758 /nfs/dbraw/zinc/27/67/58/332276758.db2.gz NNZNRTANTLNVBU-OAHLLOKOSA-N 1 3 279.428 1.084 20 30 CDEDHO C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001754447397 1159213703 /nfs/dbraw/zinc/21/37/03/1159213703.db2.gz DSMOGSIYGKZXSM-HNNXBMFYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(CN(C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000773831477 575840184 /nfs/dbraw/zinc/84/01/84/575840184.db2.gz VXFAQWXDEAFQNN-UHFFFAOYSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652387 613298807 /nfs/dbraw/zinc/29/88/07/613298807.db2.gz FCZVEJOBFIMERK-ZBFHGGJFSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969652387 613298809 /nfs/dbraw/zinc/29/88/09/613298809.db2.gz FCZVEJOBFIMERK-ZBFHGGJFSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000963955596 613347194 /nfs/dbraw/zinc/34/71/94/613347194.db2.gz PCPBUCKGJMMPCN-UHFFFAOYSA-N 1 3 290.411 1.888 20 30 CDEDHO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265873 613769620 /nfs/dbraw/zinc/76/96/20/613769620.db2.gz XVNVTUDWCUEVBI-BBRMVZONSA-N 1 3 298.390 1.961 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265873 613769624 /nfs/dbraw/zinc/76/96/24/613769624.db2.gz XVNVTUDWCUEVBI-BBRMVZONSA-N 1 3 298.390 1.961 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960171882 613839224 /nfs/dbraw/zinc/83/92/24/613839224.db2.gz CKWHEHZUULINOR-LJISPDSOSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960171882 613839225 /nfs/dbraw/zinc/83/92/25/613839225.db2.gz CKWHEHZUULINOR-LJISPDSOSA-N 1 3 277.412 1.093 20 30 CDEDHO CCN1CCN(C[C@H](C)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892927990 617913350 /nfs/dbraw/zinc/91/33/50/617913350.db2.gz JREUZBABSWLDHO-GOSISDBHSA-N 1 3 299.462 1.901 20 30 CDEDHO C[C@H](CC(C)(C)C#N)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924967050 618483757 /nfs/dbraw/zinc/48/37/57/618483757.db2.gz WAJITRRFYWPBDK-ZIAGYGMSSA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@H](CC(C)(C)C#N)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924967050 618483780 /nfs/dbraw/zinc/48/37/80/618483780.db2.gz WAJITRRFYWPBDK-ZIAGYGMSSA-N 1 3 294.443 1.492 20 30 CDEDHO C#CCN1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903218573 625914400 /nfs/dbraw/zinc/91/44/00/625914400.db2.gz DRHZEZWVIUPIKV-UNPWZGGWSA-N 1 3 287.451 1.831 20 30 CDEDHO C#CCN1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903218573 625914417 /nfs/dbraw/zinc/91/44/17/625914417.db2.gz DRHZEZWVIUPIKV-UNPWZGGWSA-N 1 3 287.451 1.831 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911811649 629543910 /nfs/dbraw/zinc/54/39/10/629543910.db2.gz UVEKSLVOYRNHBV-HNNXBMFYSA-N 1 3 273.380 1.954 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000911825994 629554101 /nfs/dbraw/zinc/55/41/01/629554101.db2.gz PLNJVLAPKFNYNC-AGIUHOORSA-N 1 3 253.390 1.256 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292356 1162147811 /nfs/dbraw/zinc/14/78/11/1162147811.db2.gz UTTBLYHBDOPIJY-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C[NH+](C)CCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001133040492 1163541443 /nfs/dbraw/zinc/54/14/43/1163541443.db2.gz SZSDMNMMAWSPBP-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C=CC1(CC(=O)NC[C@H]2CCN2C(C)(C)C)C[NH2+]C1 ZINC001574879427 1171034700 /nfs/dbraw/zinc/03/47/00/1171034700.db2.gz DEZHTSWTYLNLMW-GFCCVEGCSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CN(CC)CC)C1 ZINC001753437046 1185205787 /nfs/dbraw/zinc/20/57/87/1185205787.db2.gz RICOCOYAVDIONG-HUUCEWRRSA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CN(CC)CC)C1 ZINC001753437046 1185205788 /nfs/dbraw/zinc/20/57/88/1185205788.db2.gz RICOCOYAVDIONG-HUUCEWRRSA-N 1 3 299.434 1.775 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001753548368 1185252942 /nfs/dbraw/zinc/25/29/42/1185252942.db2.gz NSWGBTYIQRVHCO-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001754817981 1185739029 /nfs/dbraw/zinc/73/90/29/1185739029.db2.gz OUONUFHEHCDDRZ-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001755535915 1185982021 /nfs/dbraw/zinc/98/20/21/1185982021.db2.gz WIWNVWJCBOOKBO-UHFFFAOYSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001755535915 1185982026 /nfs/dbraw/zinc/98/20/26/1185982026.db2.gz WIWNVWJCBOOKBO-UHFFFAOYSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC001340556430 963002835 /nfs/dbraw/zinc/00/28/35/963002835.db2.gz HSOXPRYKLQJWST-ZDUSSCGKSA-N 1 3 253.390 1.257 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCCCCC1)CN1CCN(C)CC1 ZINC000305052829 774285580 /nfs/dbraw/zinc/28/55/80/774285580.db2.gz ICQQTINYAUSSGL-OAHLLOKOSA-N 1 3 295.475 1.061 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001000992613 774359546 /nfs/dbraw/zinc/35/95/46/774359546.db2.gz NIVLGZONTRDNFI-QGZVFWFLSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CC[NH+]1CC(CNC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001031838083 774542236 /nfs/dbraw/zinc/54/22/36/774542236.db2.gz KLBWGECCPGSVAR-UHFFFAOYSA-N 1 3 297.362 1.115 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038924665 775404491 /nfs/dbraw/zinc/40/44/91/775404491.db2.gz FAHFQSOQTONNTD-CQSZACIVSA-N 1 3 277.412 1.239 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000261993874 775412019 /nfs/dbraw/zinc/41/20/19/775412019.db2.gz NDTNVBDGYOMQGZ-STQMWFEESA-N 1 3 254.422 1.667 20 30 CDEDHO C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001001464002 776288081 /nfs/dbraw/zinc/28/80/81/776288081.db2.gz SWQJXPZCEMETTL-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001001464002 776288099 /nfs/dbraw/zinc/28/80/99/776288099.db2.gz SWQJXPZCEMETTL-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014708398 776351631 /nfs/dbraw/zinc/35/16/31/776351631.db2.gz XEEDIGFDPLBTAL-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014708398 776351642 /nfs/dbraw/zinc/35/16/42/776351642.db2.gz XEEDIGFDPLBTAL-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999373488 776712937 /nfs/dbraw/zinc/71/29/37/776712937.db2.gz QHIZNWXTUWEWCI-KGLIPLIRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776104 776803473 /nfs/dbraw/zinc/80/34/73/776803473.db2.gz IIEBZQCGSASGQO-HZPDHXFCSA-N 1 3 291.439 1.770 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776104 776803476 /nfs/dbraw/zinc/80/34/76/776803476.db2.gz IIEBZQCGSASGQO-HZPDHXFCSA-N 1 3 291.439 1.770 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCCCC1)N1CCC[C@H](C)C1 ZINC000303909330 776917218 /nfs/dbraw/zinc/91/72/18/776917218.db2.gz YCRIRHOAMQSAPV-UONOGXRCSA-N 1 3 266.433 1.907 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580419 777440749 /nfs/dbraw/zinc/44/07/49/777440749.db2.gz VYEPWLYLKTZMBT-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580419 777440753 /nfs/dbraw/zinc/44/07/53/777440753.db2.gz VYEPWLYLKTZMBT-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC000999877073 777442807 /nfs/dbraw/zinc/44/28/07/777442807.db2.gz YELOERFJWMAHJD-YMAMQOFZSA-N 1 3 279.428 1.626 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)SC ZINC000130688308 777588414 /nfs/dbraw/zinc/58/84/14/777588414.db2.gz DBTDTWONIPRVOZ-MNOVXSKESA-N 1 3 258.435 1.127 20 30 CDEDHO CN(C)C(NCc1ccccc1)=[NH+]CCN1CCCC1 ZINC000170907908 777778622 /nfs/dbraw/zinc/77/86/22/777778622.db2.gz LTGCJMMRTKGUOC-UHFFFAOYSA-N 1 3 274.412 1.790 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001019820570 778058215 /nfs/dbraw/zinc/05/82/15/778058215.db2.gz PJCWWOQFDZNYMK-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccncc3)cc2)CC1 ZINC000779811439 778635091 /nfs/dbraw/zinc/63/50/91/778635091.db2.gz QQTBNIAMPMPMNW-UHFFFAOYSA-N 1 3 295.390 1.701 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000303895134 778905459 /nfs/dbraw/zinc/90/54/59/778905459.db2.gz SZIDNTGBZHQCGD-ZDUSSCGKSA-N 1 3 254.422 1.667 20 30 CDEDHO CCC(CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)N(C)C ZINC000303784835 778949009 /nfs/dbraw/zinc/94/90/09/778949009.db2.gz PTNTVHZSHJMLME-CYBMUJFWSA-N 1 3 256.438 1.832 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CCC(C)CC1 ZINC000261699442 779084178 /nfs/dbraw/zinc/08/41/78/779084178.db2.gz CHKNUOQBRJVRBD-UONOGXRCSA-N 1 3 282.432 1.190 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487605 779315960 /nfs/dbraw/zinc/31/59/60/779315960.db2.gz PGNFKXMZCCZYPG-OAHLLOKOSA-N 1 3 291.439 1.629 20 30 CDEDHO C#CCN(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000926489838 779326096 /nfs/dbraw/zinc/32/60/96/779326096.db2.gz KHFKIYOTOLTFST-ALOPSCKCSA-N 1 3 293.455 1.173 20 30 CDEDHO C[C@H](CNC(=[NH2+])NCC1CCC1)N1CCC[C@@H](C)C1 ZINC000261979136 779375335 /nfs/dbraw/zinc/37/53/35/779375335.db2.gz HFPCKEBIPVOMRW-CHWSQXEVSA-N 1 3 266.433 1.811 20 30 CDEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035851426 779379543 /nfs/dbraw/zinc/37/95/43/779379543.db2.gz GDIAELLJTJUGAD-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035851426 779379550 /nfs/dbraw/zinc/37/95/50/779379550.db2.gz GDIAELLJTJUGAD-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378458 779410890 /nfs/dbraw/zinc/41/08/90/779410890.db2.gz VTYXOBXNJAWAJC-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378458 779410896 /nfs/dbraw/zinc/41/08/96/779410896.db2.gz VTYXOBXNJAWAJC-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034277908 779709603 /nfs/dbraw/zinc/70/96/03/779709603.db2.gz UGNUJVWADQCYAT-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034277908 779709619 /nfs/dbraw/zinc/70/96/19/779709619.db2.gz UGNUJVWADQCYAT-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034277908 779709639 /nfs/dbraw/zinc/70/96/39/779709639.db2.gz UGNUJVWADQCYAT-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034277908 779709648 /nfs/dbraw/zinc/70/96/48/779709648.db2.gz UGNUJVWADQCYAT-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049065322 779860476 /nfs/dbraw/zinc/86/04/76/779860476.db2.gz RFOWPAFBTFSZAF-XHSDSOJGSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049065322 779860478 /nfs/dbraw/zinc/86/04/78/779860478.db2.gz RFOWPAFBTFSZAF-XHSDSOJGSA-N 1 3 293.455 1.683 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281988 913787616 /nfs/dbraw/zinc/78/76/16/913787616.db2.gz OCQBRZAEBUFVIN-OAGGEKHMSA-N 1 3 293.455 1.280 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986868 914414705 /nfs/dbraw/zinc/41/47/05/914414705.db2.gz XJDKYHDXCWCGNB-OAHLLOKOSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178985646 915719524 /nfs/dbraw/zinc/71/95/24/915719524.db2.gz RWFLVBIGAFOMAO-MELADBBJSA-N 1 3 267.417 1.482 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646858 918552517 /nfs/dbraw/zinc/55/25/17/918552517.db2.gz ZEEXSJAUXTYNJH-NVXWUHKLSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646858 918552534 /nfs/dbraw/zinc/55/25/34/918552534.db2.gz ZEEXSJAUXTYNJH-NVXWUHKLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150796638 937250164 /nfs/dbraw/zinc/25/01/64/937250164.db2.gz WTCQWHVBZMIHDM-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150796638 937250167 /nfs/dbraw/zinc/25/01/67/937250167.db2.gz WTCQWHVBZMIHDM-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036877 930615172 /nfs/dbraw/zinc/61/51/72/930615172.db2.gz ZMOKDDRQNCZXKV-NEPJUHHUSA-N 1 3 276.384 1.157 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154000495 937490132 /nfs/dbraw/zinc/49/01/32/937490132.db2.gz DWEOZPUQAXBREW-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154000495 937490134 /nfs/dbraw/zinc/49/01/34/937490134.db2.gz DWEOZPUQAXBREW-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160352481 931417585 /nfs/dbraw/zinc/41/75/85/931417585.db2.gz JCSFRUQXHFNIJP-MRXNPFEDSA-N 1 3 291.439 1.651 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160352481 931417592 /nfs/dbraw/zinc/41/75/92/931417592.db2.gz JCSFRUQXHFNIJP-MRXNPFEDSA-N 1 3 291.439 1.651 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091843 938453017 /nfs/dbraw/zinc/45/30/17/938453017.db2.gz FETCEFCSVZMWLK-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO N#Cc1cnc(Cl)cc1C(F)(F)N[C@H](N)CCC[NH3+] ZINC001159786297 938753122 /nfs/dbraw/zinc/75/31/22/938753122.db2.gz XURJXFMJGNFLTO-JTQLQIEISA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207800 938879315 /nfs/dbraw/zinc/87/93/15/938879315.db2.gz WQQLEOPYZBHYSF-GOEBONIOSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207800 938879316 /nfs/dbraw/zinc/87/93/16/938879316.db2.gz WQQLEOPYZBHYSF-GOEBONIOSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627391 939620535 /nfs/dbraw/zinc/62/05/35/939620535.db2.gz UUFOFVTZXFENNR-CABCVRRESA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469780 939891797 /nfs/dbraw/zinc/89/17/97/939891797.db2.gz XMWHDHWNMNPXAO-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205492926 939893913 /nfs/dbraw/zinc/89/39/13/939893913.db2.gz NQBHQMXNHQLYDX-INIZCTEOSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206168556 939989979 /nfs/dbraw/zinc/98/99/79/939989979.db2.gz GASUUPJQZVBTNY-MRXNPFEDSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210316169 940682485 /nfs/dbraw/zinc/68/24/85/940682485.db2.gz VMICLZNZWSQSNB-HOCLYGCPSA-N 1 3 296.411 1.196 20 30 CDEDHO C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1COC(C)(C)N1 ZINC001217934056 941030516 /nfs/dbraw/zinc/03/05/16/941030516.db2.gz RPQWUJPKGMTUEZ-YNEHKIRRSA-N 1 3 254.374 1.424 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC001220868919 941479479 /nfs/dbraw/zinc/47/94/79/941479479.db2.gz ZRZLPONMXDAIBS-IHRRRGAJSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220885087 941481071 /nfs/dbraw/zinc/48/10/71/941481071.db2.gz XYZBYOKEBMAMTQ-OLZOCXBDSA-N 1 3 253.390 1.318 20 30 CDEDHO CC[C@H](CC#N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220898652 941485416 /nfs/dbraw/zinc/48/54/16/941485416.db2.gz RGHITXWTXCYHCK-OLZOCXBDSA-N 1 3 268.405 1.290 20 30 CDEDHO C=C[C@@H]1C[C@]1(N)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221128129 941498165 /nfs/dbraw/zinc/49/81/65/941498165.db2.gz KZKHAAQGMUVAEX-RHSMWYFYSA-N 1 3 291.439 1.566 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226766356 942065790 /nfs/dbraw/zinc/06/57/90/942065790.db2.gz MQMUGIKROYBSCR-HUUCEWRRSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228435110 942316501 /nfs/dbraw/zinc/31/65/01/942316501.db2.gz KWTHKAOOPSCCTK-RBSFLKMASA-N 1 3 281.444 1.776 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956752 942636518 /nfs/dbraw/zinc/63/65/18/942636518.db2.gz KRNGKRCUPIOWLC-KBPBESRZSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956752 942636521 /nfs/dbraw/zinc/63/65/21/942636521.db2.gz KRNGKRCUPIOWLC-KBPBESRZSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589483 944212659 /nfs/dbraw/zinc/21/26/59/944212659.db2.gz SBDBIOQWGVLEII-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO CC(C)[NH+]1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001257205736 948543986 /nfs/dbraw/zinc/54/39/86/948543986.db2.gz OWNMJFLLLIDOMH-UHFFFAOYSA-N 1 3 264.348 1.799 20 30 CDEDHO C=CCOC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252470704 951322299 /nfs/dbraw/zinc/32/22/99/951322299.db2.gz NNBOUQHINGFMPP-YESZJQIVSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252470704 951322315 /nfs/dbraw/zinc/32/23/15/951322315.db2.gz NNBOUQHINGFMPP-YESZJQIVSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470704 951322329 /nfs/dbraw/zinc/32/23/29/951322329.db2.gz NNBOUQHINGFMPP-YESZJQIVSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001252470704 951322341 /nfs/dbraw/zinc/32/23/41/951322341.db2.gz NNBOUQHINGFMPP-YESZJQIVSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001252493134 951362261 /nfs/dbraw/zinc/36/22/61/951362261.db2.gz MWVHBQXKHQRSRY-INIZCTEOSA-N 1 3 282.428 1.547 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001341665841 963504632 /nfs/dbraw/zinc/50/46/32/963504632.db2.gz RAKISFQLAIQDNH-QLFBSQMISA-N 1 3 281.444 1.742 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001342144814 963654232 /nfs/dbraw/zinc/65/42/32/963654232.db2.gz MWNVQOURWRKAHS-HUUCEWRRSA-N 1 3 281.444 1.907 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407836 968266132 /nfs/dbraw/zinc/26/61/32/968266132.db2.gz LKDMRQDHWNBANK-BCLQGDPASA-N 1 3 293.455 1.777 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410083 968269899 /nfs/dbraw/zinc/26/98/99/968269899.db2.gz ZVBXQGAPSMQMOU-UHFFFAOYSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100443327 968370244 /nfs/dbraw/zinc/37/02/44/968370244.db2.gz AZRUPCLCKUENOJ-YMAMQOFZSA-N 1 3 297.443 1.014 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001354319520 968640374 /nfs/dbraw/zinc/64/03/74/968640374.db2.gz UFIFVTGTHHVDRN-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC001354319520 968640376 /nfs/dbraw/zinc/64/03/76/968640376.db2.gz UFIFVTGTHHVDRN-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887340 1163500608 /nfs/dbraw/zinc/50/06/08/1163500608.db2.gz DLODPPPIQPRFBU-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001570000069 1170056679 /nfs/dbraw/zinc/05/66/79/1170056679.db2.gz HQZITUWUDXUXIR-LSDHHAIUSA-N 1 3 279.428 1.034 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255979 342683213 /nfs/dbraw/zinc/68/32/13/342683213.db2.gz VLFXTXUALYBUTI-ILXRZTDVSA-N 1 3 292.427 1.246 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000065447570 363275723 /nfs/dbraw/zinc/27/57/23/363275723.db2.gz INKOWLGOCSEYSR-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000065447570 363275726 /nfs/dbraw/zinc/27/57/26/363275726.db2.gz INKOWLGOCSEYSR-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261800981 359063588 /nfs/dbraw/zinc/06/35/88/359063588.db2.gz LADGZVCBUXSMFJ-ZDUSSCGKSA-N 1 3 265.401 1.143 20 30 CDEDHO CC(C#N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000357833805 367243569 /nfs/dbraw/zinc/24/35/69/367243569.db2.gz QDFABJMYKVGYNL-CYBMUJFWSA-N 1 3 251.374 1.774 20 30 CDEDHO C=CCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154481482 370921435 /nfs/dbraw/zinc/92/14/35/370921435.db2.gz RWZITJBWSMXDOX-UHFFFAOYSA-N 1 3 294.443 1.372 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C ZINC000104156130 390484922 /nfs/dbraw/zinc/48/49/22/390484922.db2.gz GYURYDBMDQZTBW-OAHLLOKOSA-N 1 3 274.412 1.884 20 30 CDEDHO C=CCNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975800 391371432 /nfs/dbraw/zinc/37/14/32/391371432.db2.gz GBGDNSINEVTCBF-ZIAGYGMSSA-N 1 3 265.401 1.000 20 30 CDEDHO CC(C#N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347110305 226054291 /nfs/dbraw/zinc/05/42/91/226054291.db2.gz RAZDQCBDTAVOQV-CYBMUJFWSA-N 1 3 251.374 1.918 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237393984 423870291 /nfs/dbraw/zinc/87/02/91/423870291.db2.gz GCFKKOMZBQDVJE-AWEZNQCLSA-N 1 3 293.455 1.779 20 30 CDEDHO C#Cc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000377539061 329018125 /nfs/dbraw/zinc/01/81/25/329018125.db2.gz BQQGCPDRKNHITC-GOSISDBHSA-N 1 3 297.446 1.926 20 30 CDEDHO C=CCN1CCC([NH2+][C@H](C)[C@H]2CCCCN2)CC1 ZINC000422854689 330157872 /nfs/dbraw/zinc/15/78/72/330157872.db2.gz BFMKSRXAQXOSKO-UKRRQHHQSA-N 1 3 251.418 1.757 20 30 CDEDHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424134340 330266716 /nfs/dbraw/zinc/26/67/16/330266716.db2.gz NJSJEBWGQOPYOF-OLZOCXBDSA-N 1 3 268.405 1.100 20 30 CDEDHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424143369 330287045 /nfs/dbraw/zinc/28/70/45/330287045.db2.gz GCFKBHOYJPKJIW-MCIONIFRSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424143369 330287046 /nfs/dbraw/zinc/28/70/46/330287046.db2.gz GCFKBHOYJPKJIW-MCIONIFRSA-N 1 3 280.416 1.244 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000491746796 332324276 /nfs/dbraw/zinc/32/42/76/332324276.db2.gz MGGMBUQVQGSSTC-HNNXBMFYSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000491746796 332324278 /nfs/dbraw/zinc/32/42/78/332324278.db2.gz MGGMBUQVQGSSTC-HNNXBMFYSA-N 1 3 294.443 1.115 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220796675 1159591602 /nfs/dbraw/zinc/59/16/02/1159591602.db2.gz ADVJUZSATBLORH-ZDUSSCGKSA-N 1 3 281.375 1.859 20 30 CDEDHO COCC#CCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000677818814 482794447 /nfs/dbraw/zinc/79/44/47/482794447.db2.gz WECZUPFPHDXZAF-UHFFFAOYSA-N 1 3 252.402 1.688 20 30 CDEDHO COCC#CCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000677818814 482794449 /nfs/dbraw/zinc/79/44/49/482794449.db2.gz WECZUPFPHDXZAF-UHFFFAOYSA-N 1 3 252.402 1.688 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001105944857 1161008044 /nfs/dbraw/zinc/00/80/44/1161008044.db2.gz BTDQNCNUYXFEGX-BNOWGMLFSA-N 1 3 299.846 1.517 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001755188510 1185843594 /nfs/dbraw/zinc/84/35/94/1185843594.db2.gz GUTHHRLDKKYPCJ-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001755188510 1185843602 /nfs/dbraw/zinc/84/36/02/1185843602.db2.gz GUTHHRLDKKYPCJ-ZIAGYGMSSA-N 1 3 265.401 1.189 20 30 CDEDHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 ZINC000050797920 523766565 /nfs/dbraw/zinc/76/65/65/523766565.db2.gz LQDBVZBGBOXDLM-UHFFFAOYSA-N 1 3 292.427 1.211 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000764506474 575916691 /nfs/dbraw/zinc/91/66/91/575916691.db2.gz HWBZEMBHQCETPN-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000764506474 575916692 /nfs/dbraw/zinc/91/66/92/575916692.db2.gz HWBZEMBHQCETPN-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000766930493 576146849 /nfs/dbraw/zinc/14/68/49/576146849.db2.gz HEDPGSHPKHUMSJ-SOUVJXGZSA-N 1 3 250.386 1.583 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000945180118 613130839 /nfs/dbraw/zinc/13/08/39/613130839.db2.gz KQLUPDMSFVFMAU-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000945180118 613130840 /nfs/dbraw/zinc/13/08/40/613130840.db2.gz KQLUPDMSFVFMAU-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406703 613283785 /nfs/dbraw/zinc/28/37/85/613283785.db2.gz RESAUXXMRGTTER-CQSZACIVSA-N 1 3 265.401 1.191 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406703 613283787 /nfs/dbraw/zinc/28/37/87/613283787.db2.gz RESAUXXMRGTTER-CQSZACIVSA-N 1 3 265.401 1.191 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369105 613308152 /nfs/dbraw/zinc/30/81/52/613308152.db2.gz BELTXWRFLDBEJF-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369105 613308153 /nfs/dbraw/zinc/30/81/53/613308153.db2.gz BELTXWRFLDBEJF-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969653874 613485661 /nfs/dbraw/zinc/48/56/61/613485661.db2.gz NJFLNRGGXNPQAR-GOEBONIOSA-N 1 3 293.455 1.872 20 30 CDEDHO CCO[C@H](CC[NH+](C)C)CNCC#Cc1ccccc1 ZINC000893364091 617690477 /nfs/dbraw/zinc/69/04/77/617690477.db2.gz RSSKCCHZUGKYCN-QGZVFWFLSA-N 1 3 274.408 1.985 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906594337 627344404 /nfs/dbraw/zinc/34/44/04/627344404.db2.gz YCEFYIGRQFPNRP-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906594337 627344408 /nfs/dbraw/zinc/34/44/08/627344408.db2.gz YCEFYIGRQFPNRP-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273231 1163225840 /nfs/dbraw/zinc/22/58/40/1163225840.db2.gz FGBPGYACIDDCMS-OLZOCXBDSA-N 1 3 253.390 1.093 20 30 CDEDHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001133982476 1163997352 /nfs/dbraw/zinc/99/73/52/1163997352.db2.gz BOTNWWXSDDHYKZ-ZDUSSCGKSA-N 1 3 294.424 1.166 20 30 CDEDHO CNC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001578654403 1171974449 /nfs/dbraw/zinc/97/44/49/1171974449.db2.gz OTUKXFSMLJGEOJ-INIZCTEOSA-N 1 3 275.396 1.597 20 30 CDEDHO CNC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001578654403 1171974455 /nfs/dbraw/zinc/97/44/55/1171974455.db2.gz OTUKXFSMLJGEOJ-INIZCTEOSA-N 1 3 275.396 1.597 20 30 CDEDHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691979336 1175661609 /nfs/dbraw/zinc/66/16/09/1175661609.db2.gz JHVHQYFHULDGHU-HZPDHXFCSA-N 1 3 293.455 1.376 20 30 CDEDHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691979336 1175661612 /nfs/dbraw/zinc/66/16/12/1175661612.db2.gz JHVHQYFHULDGHU-HZPDHXFCSA-N 1 3 293.455 1.376 20 30 CDEDHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001717742768 1180821709 /nfs/dbraw/zinc/82/17/09/1180821709.db2.gz QEHXCPWPSFMJBL-QWHCGFSZSA-N 1 3 255.406 1.195 20 30 CDEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001753138977 1185081979 /nfs/dbraw/zinc/08/19/79/1185081979.db2.gz QPSINBZQQFZGFO-OAHLLOKOSA-N 1 3 281.444 1.733 20 30 CDEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001753138977 1185081985 /nfs/dbraw/zinc/08/19/85/1185081985.db2.gz QPSINBZQQFZGFO-OAHLLOKOSA-N 1 3 281.444 1.733 20 30 CDEDHO CC#CC[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001753332974 1185159010 /nfs/dbraw/zinc/15/90/10/1185159010.db2.gz ZKYNFTKJLOEYGU-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001753332974 1185159011 /nfs/dbraw/zinc/15/90/11/1185159011.db2.gz ZKYNFTKJLOEYGU-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CCC)CC1 ZINC001754208924 1185505369 /nfs/dbraw/zinc/50/53/69/1185505369.db2.gz CKWZHDLMPSNMRM-AATRIKPKSA-N 1 3 277.412 1.004 20 30 CDEDHO CC#CCN1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001754556690 1185665962 /nfs/dbraw/zinc/66/59/62/1185665962.db2.gz GAHYDYFBKHLUHF-KRWDZBQOSA-N 1 3 291.439 1.276 20 30 CDEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001755386847 1185937243 /nfs/dbraw/zinc/93/72/43/1185937243.db2.gz WFZWVUDEDSBJRE-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001755526186 1185980182 /nfs/dbraw/zinc/98/01/82/1185980182.db2.gz BWCXLLJHHWIFPU-CVEARBPZSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCN1C(C)C ZINC001755572997 1185994651 /nfs/dbraw/zinc/99/46/51/1185994651.db2.gz USSFZAUDPYYTLY-CVEARBPZSA-N 1 3 291.439 1.319 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819466 1163906847 /nfs/dbraw/zinc/90/68/47/1163906847.db2.gz CMIHFYVBLGPNAH-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856580 1163933625 /nfs/dbraw/zinc/93/36/25/1163933625.db2.gz JXDXTLLJSYWPFK-OAHLLOKOSA-N 1 3 285.407 1.481 20 30 CDEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398093 782493788 /nfs/dbraw/zinc/49/37/88/782493788.db2.gz FCPPGNLLJSMZSA-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398093 782493803 /nfs/dbraw/zinc/49/38/03/782493803.db2.gz FCPPGNLLJSMZSA-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996674088 782734640 /nfs/dbraw/zinc/73/46/40/782734640.db2.gz ZCGUPIXCDREVPS-UHFFFAOYSA-N 1 3 299.846 1.804 20 30 CDEDHO C=CCC[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132543 782832176 /nfs/dbraw/zinc/83/21/76/782832176.db2.gz IBYHBPCQGVOJEO-GOEBONIOSA-N 1 3 275.396 1.919 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449635 780488393 /nfs/dbraw/zinc/48/83/93/780488393.db2.gz FCCXKNNENRLLNO-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449635 780488407 /nfs/dbraw/zinc/48/84/07/780488407.db2.gz FCCXKNNENRLLNO-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849008322 780554803 /nfs/dbraw/zinc/55/48/03/780554803.db2.gz FMXRZINRNDGCKK-UHFFFAOYSA-N 1 3 284.407 1.788 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070215 780745105 /nfs/dbraw/zinc/74/51/05/780745105.db2.gz PEPKJVKGDGLVTE-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033070215 780745121 /nfs/dbraw/zinc/74/51/21/780745121.db2.gz PEPKJVKGDGLVTE-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001022808223 781069578 /nfs/dbraw/zinc/06/95/78/781069578.db2.gz RHFADMKOLJEBQZ-ZNMIVQPWSA-N 1 3 279.428 1.672 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576844 781295625 /nfs/dbraw/zinc/29/56/25/781295625.db2.gz YAUFPCGXJRDITN-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576844 781295634 /nfs/dbraw/zinc/29/56/34/781295634.db2.gz YAUFPCGXJRDITN-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014919338 781345190 /nfs/dbraw/zinc/34/51/90/781345190.db2.gz KPCMUXHKOWNMFJ-OAHLLOKOSA-N 1 3 289.423 1.076 20 30 CDEDHO C=CCC1(O)CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000717464894 781457625 /nfs/dbraw/zinc/45/76/25/781457625.db2.gz RAIYFKYCRANGAK-AWEZNQCLSA-N 1 3 252.402 1.874 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353650 781865195 /nfs/dbraw/zinc/86/51/95/781865195.db2.gz IOUPKOUDIVPLBE-MRXNPFEDSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353650 781865198 /nfs/dbraw/zinc/86/51/98/781865198.db2.gz IOUPKOUDIVPLBE-MRXNPFEDSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072981946 781882169 /nfs/dbraw/zinc/88/21/69/781882169.db2.gz WQAQNPSDFIGTOG-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072981946 781882172 /nfs/dbraw/zinc/88/21/72/781882172.db2.gz WQAQNPSDFIGTOG-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696130 783265235 /nfs/dbraw/zinc/26/52/35/783265235.db2.gz XRQYJGSMHWZBOX-HZPDHXFCSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001021088587 895100638 /nfs/dbraw/zinc/10/06/38/895100638.db2.gz UVHBUTIOYRDOAL-YXSUXZIUSA-N 1 3 265.401 1.282 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666290 914114480 /nfs/dbraw/zinc/11/44/80/914114480.db2.gz JKGYNFALVPXBIR-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986866 914416020 /nfs/dbraw/zinc/41/60/20/914416020.db2.gz XJDKYHDXCWCGNB-HNNXBMFYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576846 900612085 /nfs/dbraw/zinc/61/20/85/900612085.db2.gz YAUFPCGXJRDITN-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576846 900612093 /nfs/dbraw/zinc/61/20/93/900612093.db2.gz YAUFPCGXJRDITN-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000262021276 904824062 /nfs/dbraw/zinc/82/40/62/904824062.db2.gz XYJSODOXIXDSLE-OLZOCXBDSA-N 1 3 252.406 1.730 20 30 CDEDHO CCc1ccc(NC(=[NH2+])NCCCN(C)CCOC)cc1 ZINC000303906503 906681160 /nfs/dbraw/zinc/68/11/60/906681160.db2.gz WDQSHKVRLJPSCT-UHFFFAOYSA-N 1 3 292.427 1.944 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571905 907990362 /nfs/dbraw/zinc/99/03/62/907990362.db2.gz RBACMIILQBJQQW-YUELXQCFSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571793 907990423 /nfs/dbraw/zinc/99/04/23/907990423.db2.gz NPHZSRZNZWLCLY-BMFZPTHFSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001168345770 909135002 /nfs/dbraw/zinc/13/50/02/909135002.db2.gz TYYKPZAQQIJJQW-OAHLLOKOSA-N 1 3 291.439 1.370 20 30 CDEDHO C[C@H](CCCC#N)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001172499052 911732646 /nfs/dbraw/zinc/73/26/46/911732646.db2.gz ABKSWSRCRVGSJC-CQSZACIVSA-N 1 3 280.416 1.165 20 30 CDEDHO C[C@H](CCCC#N)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001172499052 911732650 /nfs/dbraw/zinc/73/26/50/911732650.db2.gz ABKSWSRCRVGSJC-CQSZACIVSA-N 1 3 280.416 1.165 20 30 CDEDHO C[C@@H](CCCC#N)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001172503247 911738371 /nfs/dbraw/zinc/73/83/71/911738371.db2.gz YLDSQJUDUVYNMO-INIZCTEOSA-N 1 3 278.444 1.782 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226571 916203924 /nfs/dbraw/zinc/20/39/24/916203924.db2.gz BCFUFBVAUSIPEI-GJZGRUSLSA-N 1 3 281.444 1.872 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000303893239 935047580 /nfs/dbraw/zinc/04/75/80/935047580.db2.gz RVMYCOCJKBMPQB-QWHCGFSZSA-N 1 3 270.421 1.046 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185336733 919556134 /nfs/dbraw/zinc/55/61/34/919556134.db2.gz KHIDCMIYBZDWJZ-GJZGRUSLSA-N 1 3 279.428 1.036 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185660142 919698738 /nfs/dbraw/zinc/69/87/38/919698738.db2.gz YQAQRZDJQZVWAE-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185917517 919818101 /nfs/dbraw/zinc/81/81/01/919818101.db2.gz BOAXRACJQOJALG-QWHCGFSZSA-N 1 3 276.384 1.497 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979865 936714502 /nfs/dbraw/zinc/71/45/02/936714502.db2.gz ONGIKPFXUFOVGH-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072979865 936714503 /nfs/dbraw/zinc/71/45/03/936714503.db2.gz ONGIKPFXUFOVGH-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190445579 921998346 /nfs/dbraw/zinc/99/83/46/921998346.db2.gz ZBDOEJNPLZBSCF-CABCVRRESA-N 1 3 297.418 1.222 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190445579 921998351 /nfs/dbraw/zinc/99/83/51/921998351.db2.gz ZBDOEJNPLZBSCF-CABCVRRESA-N 1 3 297.418 1.222 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475474 922233148 /nfs/dbraw/zinc/23/31/48/922233148.db2.gz PSYGUBXXKJDABA-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996689 922366537 /nfs/dbraw/zinc/36/65/37/922366537.db2.gz HVZWHGWOIXUVBG-CQSZACIVSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996689 922366547 /nfs/dbraw/zinc/36/65/47/922366547.db2.gz HVZWHGWOIXUVBG-CQSZACIVSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCOCC[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036086 936952812 /nfs/dbraw/zinc/95/28/12/936952812.db2.gz IAYMHZFUTXEXOC-UHFFFAOYSA-N 1 3 297.443 1.014 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047264 937039639 /nfs/dbraw/zinc/03/96/39/937039639.db2.gz AIPSFLNCVAUXBJ-YUELXQCFSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047264 937039640 /nfs/dbraw/zinc/03/96/40/937039640.db2.gz AIPSFLNCVAUXBJ-YUELXQCFSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407799 937141041 /nfs/dbraw/zinc/14/10/41/937141041.db2.gz UWDMFQRKHBQXNM-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407799 937141043 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1.728 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369878 929718099 /nfs/dbraw/zinc/71/80/99/929718099.db2.gz UFJLFRHPWNGNDD-CABCVRRESA-N 1 3 293.455 1.757 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584959 929798660 /nfs/dbraw/zinc/79/86/60/929798660.db2.gz YHLKQWVKMLADAF-KBPBESRZSA-N 1 3 279.428 1.367 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571600 937395174 /nfs/dbraw/zinc/39/51/74/937395174.db2.gz GRTXLVZFNFKZOK-UHFFFAOYSA-N 1 3 291.439 1.513 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135745956 930392968 /nfs/dbraw/zinc/39/29/68/930392968.db2.gz CNSLTZKAKTYUJF-KGLIPLIRSA-N 1 3 267.417 1.224 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171359555 932858942 /nfs/dbraw/zinc/85/89/42/932858942.db2.gz SIGQGNBBYVSHLE-HOTGVXAUSA-N 1 3 295.471 1.861 20 30 CDEDHO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000926358203 932982942 /nfs/dbraw/zinc/98/29/42/932982942.db2.gz WHNMUBBPACUMGJ-CQSZACIVSA-N 1 3 280.460 1.930 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017884273 935653708 /nfs/dbraw/zinc/65/37/08/935653708.db2.gz XHYZOQCKAYICEL-IYBDPMFKSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322489 935941025 /nfs/dbraw/zinc/94/10/25/935941025.db2.gz BZJSLJKIPYNRJV-ZBFHGGJFSA-N 1 3 277.412 1.095 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC)CC1 ZINC001096605103 936192238 /nfs/dbraw/zinc/19/22/38/936192238.db2.gz ANBWXOXMJNSUSO-PMPSAXMXSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CC1 ZINC001096605103 936192239 /nfs/dbraw/zinc/19/22/39/936192239.db2.gz ANBWXOXMJNSUSO-PMPSAXMXSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157710593 938535005 /nfs/dbraw/zinc/53/50/05/938535005.db2.gz IOIOPVXBKUVHHA-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157710593 938535007 /nfs/dbraw/zinc/53/50/07/938535007.db2.gz IOIOPVXBKUVHHA-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161875250 938938861 /nfs/dbraw/zinc/93/88/61/938938861.db2.gz VIZZOLQJILIIJI-UHFFFAOYSA-N 1 3 277.412 1.407 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161875250 938938862 /nfs/dbraw/zinc/93/88/62/938938862.db2.gz VIZZOLQJILIIJI-UHFFFAOYSA-N 1 3 277.412 1.407 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161946870 938946869 /nfs/dbraw/zinc/94/68/69/938946869.db2.gz JKGBTOTWRVYYTB-UHFFFAOYSA-N 1 3 291.439 1.488 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161946870 938946870 /nfs/dbraw/zinc/94/68/70/938946870.db2.gz JKGBTOTWRVYYTB-UHFFFAOYSA-N 1 3 291.439 1.488 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc(C#N)cn1 ZINC001163122388 939205830 /nfs/dbraw/zinc/20/58/30/939205830.db2.gz IVICARDSONDIFI-UHFFFAOYSA-N 1 3 260.345 1.231 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205570746 939904550 /nfs/dbraw/zinc/90/45/50/939904550.db2.gz NYJARERNTPOZRF-AWEZNQCLSA-N 1 3 262.332 1.606 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275413 940010545 /nfs/dbraw/zinc/01/05/45/940010545.db2.gz QZUGCFQDQGMNCY-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330822 940320735 /nfs/dbraw/zinc/32/07/35/940320735.db2.gz GLILCOXJFUFWCH-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001209266449 940455021 /nfs/dbraw/zinc/45/50/21/940455021.db2.gz PLOKWZVGJPTIRP-INIZCTEOSA-N 1 3 264.413 1.975 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210221324 940672484 /nfs/dbraw/zinc/67/24/84/940672484.db2.gz ZRHBNXHWLZDZQL-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563827 940893684 /nfs/dbraw/zinc/89/36/84/940893684.db2.gz RGRSVLCPLRHACE-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215558720 940894205 /nfs/dbraw/zinc/89/42/05/940894205.db2.gz ZOKBERMONZGSRS-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CC[NH2+]C1 ZINC001218552639 941236000 /nfs/dbraw/zinc/23/60/00/941236000.db2.gz JUBWDPWUOOCFQA-CQSZACIVSA-N 1 3 290.392 1.204 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccsc1C#N ZINC001218623974 941246676 /nfs/dbraw/zinc/24/66/76/941246676.db2.gz FIAOQMDRPAEPGV-JTQLQIEISA-N 1 3 280.397 1.617 20 30 CDEDHO N#Cc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085804 941561527 /nfs/dbraw/zinc/56/15/27/941561527.db2.gz LQFLQXUNEWEOLJ-UHFFFAOYSA-N 1 3 270.380 1.086 20 30 CDEDHO C#CCN1CCC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001225541994 941877321 /nfs/dbraw/zinc/87/73/21/941877321.db2.gz FTFWITCGXDKLQF-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001225564262 941881057 /nfs/dbraw/zinc/88/10/57/941881057.db2.gz RCADAEWNHPUKGG-UHFFFAOYSA-N 1 3 291.439 1.324 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001316604428 942462274 /nfs/dbraw/zinc/46/22/74/942462274.db2.gz MASIXCZXFFVBOH-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001316604428 942462278 /nfs/dbraw/zinc/46/22/78/942462278.db2.gz MASIXCZXFFVBOH-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO CC[NH+]1CCC(CNCc2ccc(C#N)cn2)CC1 ZINC001474559216 971008889 /nfs/dbraw/zinc/00/88/89/971008889.db2.gz FNZQPHBDMRWSCX-UHFFFAOYSA-N 1 3 258.369 1.775 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001263105260 943747981 /nfs/dbraw/zinc/74/79/81/943747981.db2.gz IYARIYINTPXUCK-CQSZACIVSA-N 1 3 277.368 1.646 20 30 CDEDHO N=C(N[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC001246305477 948095131 /nfs/dbraw/zinc/09/51/31/948095131.db2.gz HYTXDYSKZZBRQP-GFCCVEGCSA-N 1 3 254.337 1.692 20 30 CDEDHO C=C[C@](C)(O)CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252549296 951436895 /nfs/dbraw/zinc/43/68/95/951436895.db2.gz HZQLANCXGLYYDC-IRXDYDNUSA-N 1 3 296.455 1.746 20 30 CDEDHO C=C[C@](C)(O)CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252549296 951436901 /nfs/dbraw/zinc/43/69/01/951436901.db2.gz HZQLANCXGLYYDC-IRXDYDNUSA-N 1 3 296.455 1.746 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001335263445 959666936 /nfs/dbraw/zinc/66/69/36/959666936.db2.gz HGIOYBUGMDIMBJ-AWEZNQCLSA-N 1 3 261.369 1.445 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001340128677 962762736 /nfs/dbraw/zinc/76/27/36/962762736.db2.gz NYLNGODOSOQHRE-GXTWGEPZSA-N 1 3 288.395 1.520 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340946632 963206863 /nfs/dbraw/zinc/20/68/63/963206863.db2.gz XYAPGPSTONCVAW-HUUCEWRRSA-N 1 3 299.459 1.559 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001357491379 969608384 /nfs/dbraw/zinc/60/83/84/969608384.db2.gz XDVVVTDSMCDYET-ZFWWWQNUSA-N 1 3 281.444 1.859 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001376946860 974827498 /nfs/dbraw/zinc/82/74/98/974827498.db2.gz XYQXYNPPXXFGRK-STQMWFEESA-N 1 3 287.835 1.517 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001403232094 976828232 /nfs/dbraw/zinc/82/82/32/976828232.db2.gz PDSLTIYBIWZCIT-ZDUSSCGKSA-N 1 3 299.846 1.661 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275604 1163622361 /nfs/dbraw/zinc/62/23/61/1163622361.db2.gz VEQJYTBOGGALHJ-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000600768896 349879520 /nfs/dbraw/zinc/87/95/20/349879520.db2.gz HQFFBJQXVKRWLA-QWHCGFSZSA-N 1 3 259.353 1.973 20 30 CDEDHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718386 343882622 /nfs/dbraw/zinc/88/26/22/343882622.db2.gz AVASOMSYCUSHIS-KBPBESRZSA-N 1 3 267.417 1.609 20 30 CDEDHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718386 343882623 /nfs/dbraw/zinc/88/26/23/343882623.db2.gz AVASOMSYCUSHIS-KBPBESRZSA-N 1 3 267.417 1.609 20 30 CDEDHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718386 343882626 /nfs/dbraw/zinc/88/26/26/343882626.db2.gz AVASOMSYCUSHIS-KBPBESRZSA-N 1 3 267.417 1.609 20 30 CDEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[N@H+](C)C1 ZINC000598701819 343889599 /nfs/dbraw/zinc/88/95/99/343889599.db2.gz NIPYDHLDKXTBDV-STQMWFEESA-N 1 3 253.390 1.171 20 30 CDEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[N@@H+](C)C1 ZINC000598701819 343889601 /nfs/dbraw/zinc/88/96/01/343889601.db2.gz NIPYDHLDKXTBDV-STQMWFEESA-N 1 3 253.390 1.171 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000491663449 347585841 /nfs/dbraw/zinc/58/58/41/347585841.db2.gz MVWAJXNHJFYCDA-INIZCTEOSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCNC(=O)CCNCc1ccccc1C[NH+]1CCCC1 ZINC000491695629 347587035 /nfs/dbraw/zinc/58/70/35/347587035.db2.gz NAMJFQDUHDBFLV-UHFFFAOYSA-N 1 3 299.418 1.512 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)s1 ZINC000264088584 362964351 /nfs/dbraw/zinc/96/43/51/362964351.db2.gz KIULEVOQCMAVSM-LBPRGKRZSA-N 1 3 280.441 1.945 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1O ZINC000264121434 362973382 /nfs/dbraw/zinc/97/33/82/362973382.db2.gz RGRLOOLAWFVJMU-ZDUSSCGKSA-N 1 3 276.384 1.281 20 30 CDEDHO CCCNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738078 357222699 /nfs/dbraw/zinc/22/26/99/357222699.db2.gz MRRGLXPWRRHDCI-UHFFFAOYSA-N 1 3 275.400 1.612 20 30 CDEDHO C=CCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711794 357408108 /nfs/dbraw/zinc/40/81/08/357408108.db2.gz UOVSNANMBIMNAE-QGZVFWFLSA-N 1 3 290.407 1.416 20 30 CDEDHO C=CCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711794 357408112 /nfs/dbraw/zinc/40/81/12/357408112.db2.gz UOVSNANMBIMNAE-QGZVFWFLSA-N 1 3 290.407 1.416 20 30 CDEDHO C=CCN1CCC(NC(=O)C(CC)(CC)C[NH3+])CC1 ZINC000262049226 359130070 /nfs/dbraw/zinc/13/00/70/359130070.db2.gz UVLOUCMDOMWBPB-UHFFFAOYSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000177908317 372127324 /nfs/dbraw/zinc/12/73/24/372127324.db2.gz VUEOSGFQJBVYNS-IJEWVQPXSA-N 1 3 265.445 1.955 20 30 CDEDHO C=C(C)CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000351751521 391090917 /nfs/dbraw/zinc/09/09/17/391090917.db2.gz JACCKYJWESNGLZ-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=C(C)CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000351751521 391090919 /nfs/dbraw/zinc/09/09/19/391090919.db2.gz JACCKYJWESNGLZ-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426416 391299168 /nfs/dbraw/zinc/29/91/68/391299168.db2.gz LTIXMJNNUMGXEL-CABCVRRESA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426416 391299170 /nfs/dbraw/zinc/29/91/70/391299170.db2.gz LTIXMJNNUMGXEL-CABCVRRESA-N 1 3 252.402 1.731 20 30 CDEDHO C[C@H]1C[NH+]=C(NCc2ccc(OCCN(C)C)cc2)N1 ZINC000262476878 391790733 /nfs/dbraw/zinc/79/07/33/391790733.db2.gz CFKRPVUVPNVOHR-LBPRGKRZSA-N 1 3 276.384 1.064 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC2CCN(Cc3cccs3)CC2)N1 ZINC000262660268 391808434 /nfs/dbraw/zinc/80/84/34/391808434.db2.gz MTDNZIQQJUDDFL-LBPRGKRZSA-N 1 3 292.452 1.897 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000490616341 261170224 /nfs/dbraw/zinc/17/02/24/261170224.db2.gz KKAPCPMFSVICPX-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446887 423865091 /nfs/dbraw/zinc/86/50/91/423865091.db2.gz MBWNJDOFDMBJHN-GOEBONIOSA-N 1 3 277.412 1.143 20 30 CDEDHO CSCCN(C)CC#CC[N@H+](C)CCSC ZINC000357652553 266339874 /nfs/dbraw/zinc/33/98/74/266339874.db2.gz MESQHHCPVBVBKN-UHFFFAOYSA-N 1 3 260.472 1.579 20 30 CDEDHO CSCCN(C)CC#CC[N@@H+](C)CCSC ZINC000357652553 266339878 /nfs/dbraw/zinc/33/98/78/266339878.db2.gz MESQHHCPVBVBKN-UHFFFAOYSA-N 1 3 260.472 1.579 20 30 CDEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCC#N ZINC000371292623 267383779 /nfs/dbraw/zinc/38/37/79/267383779.db2.gz CNODBCWMKXTDEZ-ILXRZTDVSA-N 1 3 265.401 1.864 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)nc1 ZINC000264078818 328157369 /nfs/dbraw/zinc/15/73/69/328157369.db2.gz GQLRQUSTQHBRDM-AWEZNQCLSA-N 1 3 275.400 1.279 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCCS1 ZINC000262352768 330007603 /nfs/dbraw/zinc/00/76/03/330007603.db2.gz FKFAQILKMHVKPZ-JSGCOSHPSA-N 1 3 284.473 1.661 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@@H]2CCCN2CC2CCCCC2)N1 ZINC000262634671 330023705 /nfs/dbraw/zinc/02/37/05/330023705.db2.gz GLWCOJMDYXVKDF-ZFWWWQNUSA-N 1 3 278.444 1.968 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422863544 330158044 /nfs/dbraw/zinc/15/80/44/330158044.db2.gz RXPMSRJOATXXIL-UKRRQHHQSA-N 1 3 251.418 1.744 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422979619 330162468 /nfs/dbraw/zinc/16/24/68/330162468.db2.gz NFTJTQNCMRPWHQ-UKRRQHHQSA-N 1 3 251.418 1.744 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000424135314 330269521 /nfs/dbraw/zinc/26/95/21/330269521.db2.gz OXBVWDGXNSLRCX-RDBSUJKOSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000424135314 330269523 /nfs/dbraw/zinc/26/95/23/330269523.db2.gz OXBVWDGXNSLRCX-RDBSUJKOSA-N 1 3 280.416 1.244 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C[C@@H]1C ZINC000424142132 330284096 /nfs/dbraw/zinc/28/40/96/330284096.db2.gz HXMKIRYFIAICML-IHRRRGAJSA-N 1 3 280.416 1.339 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C[C@@H]1C ZINC000424142132 330284097 /nfs/dbraw/zinc/28/40/97/330284097.db2.gz HXMKIRYFIAICML-IHRRRGAJSA-N 1 3 280.416 1.339 20 30 CDEDHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424143595 330288068 /nfs/dbraw/zinc/28/80/68/330288068.db2.gz ZVSUJBCWSNSOBB-AWEZNQCLSA-N 1 3 280.416 1.244 20 30 CDEDHO C[NH+](C)CC[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000424147554 330293834 /nfs/dbraw/zinc/29/38/34/330293834.db2.gz ROVCHRFMKNVQAW-CHWSQXEVSA-N 1 3 282.432 1.490 20 30 CDEDHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424157097 330304667 /nfs/dbraw/zinc/30/46/67/330304667.db2.gz PDLKKELHLHESCU-LJISPDSOSA-N 1 3 294.443 1.490 20 30 CDEDHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424157097 330304668 /nfs/dbraw/zinc/30/46/68/330304668.db2.gz PDLKKELHLHESCU-LJISPDSOSA-N 1 3 294.443 1.490 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000424180307 330321011 /nfs/dbraw/zinc/32/10/11/330321011.db2.gz VEXWNWTYKRXQSA-OAHLLOKOSA-N 1 3 288.395 1.038 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000490781171 332115685 /nfs/dbraw/zinc/11/56/85/332115685.db2.gz XWKSEONQBMZLPO-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174666553 333005472 /nfs/dbraw/zinc/00/54/72/333005472.db2.gz KDGBKJQMCJKHDL-UHFFFAOYSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634781 1159423476 /nfs/dbraw/zinc/42/34/76/1159423476.db2.gz YMCNWUWSDBRIFP-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559419 1161219020 /nfs/dbraw/zinc/21/90/20/1161219020.db2.gz OIJFYGPKIJCMDF-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559419 1161219026 /nfs/dbraw/zinc/21/90/26/1161219026.db2.gz OIJFYGPKIJCMDF-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC[NH+](CC)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000344797550 528093306 /nfs/dbraw/zinc/09/33/06/528093306.db2.gz WVBTXNMUIJPKEX-LBPRGKRZSA-N 1 3 251.374 1.726 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000945180120 613131710 /nfs/dbraw/zinc/13/17/10/613131710.db2.gz KQLUPDMSFVFMAU-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000945180120 613131711 /nfs/dbraw/zinc/13/17/11/613131711.db2.gz KQLUPDMSFVFMAU-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948245329 613314623 /nfs/dbraw/zinc/31/46/23/613314623.db2.gz OWFPFQXMEDMOHL-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948245329 613314624 /nfs/dbraw/zinc/31/46/24/613314624.db2.gz OWFPFQXMEDMOHL-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947979647 613535585 /nfs/dbraw/zinc/53/55/85/613535585.db2.gz JMJZPBZMPKDLTK-JSGCOSHPSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC000947979647 613535587 /nfs/dbraw/zinc/53/55/87/613535587.db2.gz JMJZPBZMPKDLTK-JSGCOSHPSA-N 1 3 290.411 1.806 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477972 613611561 /nfs/dbraw/zinc/61/15/61/613611561.db2.gz LFXAIZQNVXGUGC-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982112790 613678207 /nfs/dbraw/zinc/67/82/07/613678207.db2.gz DJQHNOUTXAZNGQ-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982112790 613678208 /nfs/dbraw/zinc/67/82/08/613678208.db2.gz DJQHNOUTXAZNGQ-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969115851 613683072 /nfs/dbraw/zinc/68/30/72/613683072.db2.gz VSXYZPXPYISCRS-OAHLLOKOSA-N 1 3 291.439 1.629 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959852964 613839029 /nfs/dbraw/zinc/83/90/29/613839029.db2.gz XWZKCHRRLAHSRX-LJISPDSOSA-N 1 3 277.412 1.092 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000959852964 613839030 /nfs/dbraw/zinc/83/90/30/613839030.db2.gz XWZKCHRRLAHSRX-LJISPDSOSA-N 1 3 277.412 1.092 20 30 CDEDHO C=CC[NH2+]C1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000963912374 613859423 /nfs/dbraw/zinc/85/94/23/613859423.db2.gz KLZIEKPCWJYILB-QQFBHYJXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891522664 617459560 /nfs/dbraw/zinc/45/95/60/617459560.db2.gz TUAWGWMJRFHIAE-ZBFHGGJFSA-N 1 3 292.427 1.221 20 30 CDEDHO N#Cc1ccc(C2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000903823204 626103574 /nfs/dbraw/zinc/10/35/74/626103574.db2.gz DDMADSWDRDRENJ-ULQDDVLXSA-N 1 3 285.391 1.588 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911629006 629374359 /nfs/dbraw/zinc/37/43/59/629374359.db2.gz RXAYRGIXCNYULU-AWEZNQCLSA-N 1 3 269.433 1.933 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754326024 1159130477 /nfs/dbraw/zinc/13/04/77/1159130477.db2.gz BFQPPEUSCHEDBV-JKSUJKDBSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754326024 1159130481 /nfs/dbraw/zinc/13/04/81/1159130481.db2.gz BFQPPEUSCHEDBV-JKSUJKDBSA-N 1 3 293.455 1.709 20 30 CDEDHO CC#CCNCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474458 1164143767 /nfs/dbraw/zinc/14/37/67/1164143767.db2.gz QIBSEFWCRKNYGU-AWEZNQCLSA-N 1 3 267.417 1.082 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001567023784 1168517246 /nfs/dbraw/zinc/51/72/46/1168517246.db2.gz AAXNQZAUNQPERZ-KBPBESRZSA-N 1 3 269.433 1.633 20 30 CDEDHO N#CC1(CNC2CC3(C2)CC[NH2+]CC3)CCOCC1 ZINC001580039088 1172329983 /nfs/dbraw/zinc/32/99/83/1172329983.db2.gz ZXTGGIIRZMHJIP-UHFFFAOYSA-N 1 3 263.385 1.429 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001753109260 1185067242 /nfs/dbraw/zinc/06/72/42/1185067242.db2.gz RKZMKAVVYXZUAV-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001753109260 1185067247 /nfs/dbraw/zinc/06/72/47/1185067247.db2.gz RKZMKAVVYXZUAV-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1CCC ZINC001753735704 1185322214 /nfs/dbraw/zinc/32/22/14/1185322214.db2.gz BMDWTJIKYJWCME-CVEARBPZSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001754320601 1185576629 /nfs/dbraw/zinc/57/66/29/1185576629.db2.gz XUCVUVMZRVRHDO-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001754320601 1185576633 /nfs/dbraw/zinc/57/66/33/1185576633.db2.gz XUCVUVMZRVRHDO-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001755029751 1185790643 /nfs/dbraw/zinc/79/06/43/1185790643.db2.gz PXFDTBDZNAYLGE-HOTGVXAUSA-N 1 3 293.455 1.711 20 30 CDEDHO CCN(CC)CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135508687 1164147791 /nfs/dbraw/zinc/14/77/91/1164147791.db2.gz WAJKXTSWHJFTGN-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351350 913977432 /nfs/dbraw/zinc/97/74/32/913977432.db2.gz VBHYDEBJJRMWCV-QWHCGFSZSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001022070583 896062189 /nfs/dbraw/zinc/06/21/89/896062189.db2.gz XCNGGOBDSDHIOP-MJBXVCDLSA-N 1 3 265.401 1.282 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480874 896093343 /nfs/dbraw/zinc/09/33/43/896093343.db2.gz VIDVKOCDNUPCAB-UHFFFAOYSA-N 1 3 279.428 1.228 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167481092 896103113 /nfs/dbraw/zinc/10/31/13/896103113.db2.gz ZWIWNKSMNHEKLA-UHFFFAOYSA-N 1 3 279.428 1.228 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350761 914080889 /nfs/dbraw/zinc/08/08/89/914080889.db2.gz JTLIAGIVKICPLA-CYBMUJFWSA-N 1 3 290.411 1.549 20 30 CDEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784816 914301258 /nfs/dbraw/zinc/30/12/58/914301258.db2.gz NATXYOFZLZKQSK-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879637 900925412 /nfs/dbraw/zinc/92/54/12/900925412.db2.gz VSDGVCRESGNHIF-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879637 900925419 /nfs/dbraw/zinc/92/54/19/900925419.db2.gz VSDGVCRESGNHIF-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087827679 905879392 /nfs/dbraw/zinc/87/93/92/905879392.db2.gz FAEKIBFXFDNKCY-MELADBBJSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087827679 905879403 /nfs/dbraw/zinc/87/94/03/905879403.db2.gz FAEKIBFXFDNKCY-MELADBBJSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094936070 911857188 /nfs/dbraw/zinc/85/71/88/911857188.db2.gz VHLLSTFTANGYII-ZNMIVQPWSA-N 1 3 289.423 1.073 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001095007966 912156675 /nfs/dbraw/zinc/15/66/75/912156675.db2.gz YOHNDAFSCMFRIX-GUTXKFCHSA-N 1 3 288.395 1.497 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179763730 915978730 /nfs/dbraw/zinc/97/87/30/915978730.db2.gz PKCWMOMQAIYDQH-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369459 916320990 /nfs/dbraw/zinc/32/09/90/916320990.db2.gz HBKFCIZULJKQGH-UHFFFAOYSA-N 1 3 281.444 1.616 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC(C)C ZINC000303695841 935040240 /nfs/dbraw/zinc/04/02/40/935040240.db2.gz DRUJDOHDDTVGFH-ZDUSSCGKSA-N 1 3 270.421 1.190 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996678977 918366183 /nfs/dbraw/zinc/36/61/83/918366183.db2.gz PGUOGFAMGDKHIB-CQSZACIVSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676480 919720958 /nfs/dbraw/zinc/72/09/58/919720958.db2.gz YSZBHOYCIBXELP-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185761387 919743757 /nfs/dbraw/zinc/74/37/57/919743757.db2.gz GVVJPIDFJLNKDQ-CABCVRRESA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168747423 922037163 /nfs/dbraw/zinc/03/71/63/922037163.db2.gz KPGYSRDGSICJDW-UHFFFAOYSA-N 1 3 261.797 1.177 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190664837 922107846 /nfs/dbraw/zinc/10/78/46/922107846.db2.gz HCPJJGQBPDCDIM-GJZGRUSLSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190664837 922107855 /nfs/dbraw/zinc/10/78/55/922107855.db2.gz HCPJJGQBPDCDIM-GJZGRUSLSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005180584 922246876 /nfs/dbraw/zinc/24/68/76/922246876.db2.gz TXLCBOLTBWIWSE-AWEZNQCLSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582395 922266802 /nfs/dbraw/zinc/26/68/02/922266802.db2.gz OSQNJNBHQKERTN-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582395 922266812 /nfs/dbraw/zinc/26/68/12/922266812.db2.gz OSQNJNBHQKERTN-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001082589335 924961602 /nfs/dbraw/zinc/96/16/02/924961602.db2.gz WOEPEOZBRITQHT-MGPQQGTHSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925371 925601345 /nfs/dbraw/zinc/60/13/45/925601345.db2.gz NGSXSTZAVUNKNP-UHFFFAOYSA-N 1 3 287.835 1.660 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407564 937141087 /nfs/dbraw/zinc/14/10/87/937141087.db2.gz IYYVDIVWIXPTOK-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407564 937141089 /nfs/dbraw/zinc/14/10/89/937141089.db2.gz IYYVDIVWIXPTOK-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803665 928645736 /nfs/dbraw/zinc/64/57/36/928645736.db2.gz FCERFAMXCBFASP-XHSDSOJGSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467294 930215915 /nfs/dbraw/zinc/21/59/15/930215915.db2.gz FMHGSZJGVJUSAC-KBPBESRZSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135511692 930244080 /nfs/dbraw/zinc/24/40/80/930244080.db2.gz YYXUNGICNBOZBT-CYBMUJFWSA-N 1 3 255.406 1.389 20 30 CDEDHO C#CCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817285604 930471466 /nfs/dbraw/zinc/47/14/66/930471466.db2.gz MIOARYUOMBSDNV-UHFFFAOYSA-N 1 3 263.429 1.502 20 30 CDEDHO C#CCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817285604 930471476 /nfs/dbraw/zinc/47/14/76/930471476.db2.gz MIOARYUOMBSDNV-UHFFFAOYSA-N 1 3 263.429 1.502 20 30 CDEDHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886010432 930787446 /nfs/dbraw/zinc/78/74/46/930787446.db2.gz JDRCSSRGTVAPAO-KBPBESRZSA-N 1 3 265.401 1.315 20 30 CDEDHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886010432 930787454 /nfs/dbraw/zinc/78/74/54/930787454.db2.gz JDRCSSRGTVAPAO-KBPBESRZSA-N 1 3 265.401 1.315 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000104181333 931323939 /nfs/dbraw/zinc/32/39/39/931323939.db2.gz ILYIQUIMGPLEDT-CYBMUJFWSA-N 1 3 254.422 1.811 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000843986788 931522404 /nfs/dbraw/zinc/52/24/04/931522404.db2.gz CDOKDDGKHVRGGK-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001091026184 931732824 /nfs/dbraw/zinc/73/28/24/931732824.db2.gz JOCWCDVNVXEKQP-GPANFISMSA-N 1 3 293.455 1.920 20 30 CDEDHO C#CCCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275976082 932192382 /nfs/dbraw/zinc/19/23/82/932192382.db2.gz ZBQHCJDBWYMVAZ-IYBDPMFKSA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275976082 932192383 /nfs/dbraw/zinc/19/23/83/932192383.db2.gz ZBQHCJDBWYMVAZ-IYBDPMFKSA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154850878 937596222 /nfs/dbraw/zinc/59/62/22/937596222.db2.gz NSFYPBFBCSEZAC-ZNMIVQPWSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154850878 937596224 /nfs/dbraw/zinc/59/62/24/937596224.db2.gz NSFYPBFBCSEZAC-ZNMIVQPWSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015391721 935567094 /nfs/dbraw/zinc/56/70/94/935567094.db2.gz KCCZQBVCBXCIQP-CVEARBPZSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015391721 935567096 /nfs/dbraw/zinc/56/70/96/935567096.db2.gz KCCZQBVCBXCIQP-CVEARBPZSA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015925713 935593517 /nfs/dbraw/zinc/59/35/17/935593517.db2.gz BYLLKIVKOSBXGY-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044796224 935870378 /nfs/dbraw/zinc/87/03/78/935870378.db2.gz IKUZYDHGKDEXGF-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC)C2)CC1 ZINC001046851214 935977853 /nfs/dbraw/zinc/97/78/53/935977853.db2.gz DMGRIDPOIVJHDN-QGZVFWFLSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC)C2)CC1 ZINC001046851214 935977855 /nfs/dbraw/zinc/97/78/55/935977855.db2.gz DMGRIDPOIVJHDN-QGZVFWFLSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697955 936172391 /nfs/dbraw/zinc/17/23/91/936172391.db2.gz LZVSJPMWFQOULQ-HRCADAONSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697955 936172395 /nfs/dbraw/zinc/17/23/95/936172395.db2.gz LZVSJPMWFQOULQ-HRCADAONSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697955 936172397 /nfs/dbraw/zinc/17/23/97/936172397.db2.gz LZVSJPMWFQOULQ-HRCADAONSA-N 1 3 293.455 1.824 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001121990658 937897014 /nfs/dbraw/zinc/89/70/14/937897014.db2.gz QNZQTSIAMHGGKH-CABCVRRESA-N 1 3 299.459 1.641 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533977 938632733 /nfs/dbraw/zinc/63/27/33/938632733.db2.gz OZGWLJAWOOPGAX-OAHLLOKOSA-N 1 3 290.411 1.841 20 30 CDEDHO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533977 938632734 /nfs/dbraw/zinc/63/27/34/938632734.db2.gz OZGWLJAWOOPGAX-OAHLLOKOSA-N 1 3 290.411 1.841 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159846671 938756855 /nfs/dbraw/zinc/75/68/55/938756855.db2.gz PUMXMRWMYXEFIL-UHFFFAOYSA-N 1 3 273.808 1.319 20 30 CDEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799197 939791966 /nfs/dbraw/zinc/79/19/66/939791966.db2.gz SJTFOMVHHIBEHH-CQSZACIVSA-N 1 3 299.846 1.661 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206954439 940117623 /nfs/dbraw/zinc/11/76/23/940117623.db2.gz JFWQRNDNFNHASS-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668718 940624693 /nfs/dbraw/zinc/62/46/93/940624693.db2.gz HMMJLKORBHLMOQ-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[NH+]1CCC(CNC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001223374958 941674176 /nfs/dbraw/zinc/67/41/76/941674176.db2.gz WORKJCNKEHYXFR-HNNXBMFYSA-N 1 3 297.418 1.128 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224522461 941764333 /nfs/dbraw/zinc/76/43/33/941764333.db2.gz JEHNNRUYEWOOLE-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[NH+]1CCC(CNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001224570245 941771997 /nfs/dbraw/zinc/77/19/97/941771997.db2.gz VIVQVHNNIWLQDP-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCC[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284957332 943300438 /nfs/dbraw/zinc/30/04/38/943300438.db2.gz PJJITBMWHKDQSP-HNNXBMFYSA-N 1 3 277.412 1.098 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001284957332 943300441 /nfs/dbraw/zinc/30/04/41/943300441.db2.gz PJJITBMWHKDQSP-HNNXBMFYSA-N 1 3 277.412 1.098 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001263158735 943767907 /nfs/dbraw/zinc/76/79/07/943767907.db2.gz JOWFFAIYZCPDHS-AGIUHOORSA-N 1 3 253.390 1.256 20 30 CDEDHO C=CCOC1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246089763 947940126 /nfs/dbraw/zinc/94/01/26/947940126.db2.gz SJPUXBRDVMNIES-PFSRBDOWSA-N 1 3 286.391 1.152 20 30 CDEDHO C=C1C[C@@H]2CC(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)C[C@H](C1)C2 ZINC001246137238 947982938 /nfs/dbraw/zinc/98/29/38/947982938.db2.gz XMLIXTVNJDTHJZ-MDJNNDMFSA-N 1 3 262.397 1.698 20 30 CDEDHO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246158885 947998666 /nfs/dbraw/zinc/99/86/66/947998666.db2.gz VBDSNUAPJZUSFZ-OAHLLOKOSA-N 1 3 287.407 1.233 20 30 CDEDHO SCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686163 948394997 /nfs/dbraw/zinc/39/49/97/948394997.db2.gz KEOITKJOKFPNRU-UHFFFAOYSA-N 1 3 258.431 1.539 20 30 CDEDHO C=CCN(CC=C)CCN1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246951119 948536183 /nfs/dbraw/zinc/53/61/83/948536183.db2.gz XQZBAIWCTCSEFX-KRWDZBQOSA-N 1 3 292.471 1.030 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001343355056 963958534 /nfs/dbraw/zinc/95/85/34/963958534.db2.gz WDOKCDNXTNYYTK-ZDUSSCGKSA-N 1 3 267.417 1.661 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100320575 968007070 /nfs/dbraw/zinc/00/70/70/968007070.db2.gz JGDMUXOCZFTAOB-UYSNPLJNSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678758 968933358 /nfs/dbraw/zinc/93/33/58/968933358.db2.gz VYFSFPUKKCNYKA-FHERZECASA-N 1 3 293.455 1.779 20 30 CDEDHO N#CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849023310 969411438 /nfs/dbraw/zinc/41/14/38/969411438.db2.gz IECFLSOFUSBWJJ-UHFFFAOYSA-N 1 3 285.395 1.679 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273626 1163225984 /nfs/dbraw/zinc/22/59/84/1163225984.db2.gz HZGXDHNOXYMZKP-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001574852047 1171026779 /nfs/dbraw/zinc/02/67/79/1171026779.db2.gz OCCJWZYRQBDRNT-NWDGAFQWSA-N 1 3 273.808 1.399 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC001574852047 1171026785 /nfs/dbraw/zinc/02/67/85/1171026785.db2.gz OCCJWZYRQBDRNT-NWDGAFQWSA-N 1 3 273.808 1.399 20 30 CDEDHO C=CCCSCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000596649245 343370717 /nfs/dbraw/zinc/37/07/17/343370717.db2.gz DDJASXGSODDFRI-YNEHKIRRSA-N 1 3 258.431 1.638 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000598720454 343883120 /nfs/dbraw/zinc/88/31/20/343883120.db2.gz MXNAOBFQVXGZPJ-OAHLLOKOSA-N 1 3 279.428 1.751 20 30 CDEDHO C[NH+]1CCC(C)(CNCc2cccc(C#N)n2)CC1 ZINC000598912222 343923213 /nfs/dbraw/zinc/92/32/13/343923213.db2.gz RWKHOTMUGPFTJW-UHFFFAOYSA-N 1 3 258.369 1.775 20 30 CDEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000602526057 344454552 /nfs/dbraw/zinc/45/45/52/344454552.db2.gz OCITYELSZAKAJN-HUUCEWRRSA-N 1 3 295.427 1.132 20 30 CDEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1=CCN(C)CC1 ZINC000602582045 344475662 /nfs/dbraw/zinc/47/56/62/344475662.db2.gz MSONSVHAMFMRNV-AWEZNQCLSA-N 1 3 277.412 1.937 20 30 CDEDHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(C#N)n1 ZINC000602587953 350128854 /nfs/dbraw/zinc/12/88/54/350128854.db2.gz JWAHMDBTJUIMHU-OAHLLOKOSA-N 1 3 276.384 1.400 20 30 CDEDHO C=CCOCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000348029144 359777745 /nfs/dbraw/zinc/77/77/45/359777745.db2.gz HJAZDKSREMJVOW-HNNXBMFYSA-N 1 3 252.402 1.997 20 30 CDEDHO C=CCOCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000348029144 359777749 /nfs/dbraw/zinc/77/77/49/359777749.db2.gz HJAZDKSREMJVOW-HNNXBMFYSA-N 1 3 252.402 1.997 20 30 CDEDHO C=C[C@H](CO)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873329 378350838 /nfs/dbraw/zinc/35/08/38/378350838.db2.gz RPKWUOOTQMEBQS-DZGCQCFKSA-N 1 3 278.396 1.825 20 30 CDEDHO N#C[C@H]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000442788924 391040119 /nfs/dbraw/zinc/04/01/19/391040119.db2.gz GFRKQZJLDLHBHE-GJZGRUSLSA-N 1 3 277.412 1.913 20 30 CDEDHO C=CCC[C@H](O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423718 391162823 /nfs/dbraw/zinc/16/28/23/391162823.db2.gz XDBBLVVNXZIZGV-YHUYYLMFSA-N 1 3 282.428 1.497 20 30 CDEDHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339053778 391247698 /nfs/dbraw/zinc/24/76/98/391247698.db2.gz IUDKSKUIIXYHFV-GOEBONIOSA-N 1 3 278.444 1.636 20 30 CDEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339053778 391247700 /nfs/dbraw/zinc/24/77/00/391247700.db2.gz IUDKSKUIIXYHFV-GOEBONIOSA-N 1 3 278.444 1.636 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000660703806 413389565 /nfs/dbraw/zinc/38/95/65/413389565.db2.gz HEXPOAZMODWPLP-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000660703806 413389575 /nfs/dbraw/zinc/38/95/75/413389575.db2.gz HEXPOAZMODWPLP-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO CC(C#N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347110307 226054510 /nfs/dbraw/zinc/05/45/10/226054510.db2.gz RAZDQCBDTAVOQV-ZDUSSCGKSA-N 1 3 251.374 1.918 20 30 CDEDHO CCNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284108476 263085833 /nfs/dbraw/zinc/08/58/33/263085833.db2.gz SMBLUMMFYAUUDC-UHFFFAOYSA-N 1 3 290.411 1.584 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000165197482 264122496 /nfs/dbraw/zinc/12/24/96/264122496.db2.gz WTEPABFTOGYIHN-INIZCTEOSA-N 1 3 293.455 1.801 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357811208 266368932 /nfs/dbraw/zinc/36/89/32/266368932.db2.gz DXXKSPSVGGPHOX-XQQFMLRXSA-N 1 3 251.374 1.630 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357811208 266368933 /nfs/dbraw/zinc/36/89/33/266368933.db2.gz DXXKSPSVGGPHOX-XQQFMLRXSA-N 1 3 251.374 1.630 20 30 CDEDHO C#CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370691450 267340260 /nfs/dbraw/zinc/34/02/60/267340260.db2.gz SRVSRJDVCADEFQ-UHFFFAOYSA-N 1 3 263.429 1.500 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185360916 329271247 /nfs/dbraw/zinc/27/12/47/329271247.db2.gz MBXPPTVCRBMGAQ-UHFFFAOYSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185360916 329271249 /nfs/dbraw/zinc/27/12/49/329271249.db2.gz MBXPPTVCRBMGAQ-UHFFFAOYSA-N 1 3 294.443 1.372 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185881495 329334288 /nfs/dbraw/zinc/33/42/88/329334288.db2.gz ATYPTMXMIVOHRM-HOTGVXAUSA-N 1 3 278.444 1.686 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000572162935 329950722 /nfs/dbraw/zinc/95/07/22/329950722.db2.gz NTSDHKWFLUNXPD-QLFBSQMISA-N 1 3 279.428 1.539 20 30 CDEDHO CN1CC[NH+]=C1NC[C@H]1CCCN1CC1CCCCC1 ZINC000262661828 330025160 /nfs/dbraw/zinc/02/51/60/330025160.db2.gz NCRYTMOPDHUNAQ-OAHLLOKOSA-N 1 3 278.444 1.922 20 30 CDEDHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424249147 330332127 /nfs/dbraw/zinc/33/21/27/330332127.db2.gz VPHKABYCOQKACW-ZDUSSCGKSA-N 1 3 260.341 1.413 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458311566 331248161 /nfs/dbraw/zinc/24/81/61/331248161.db2.gz AQJFGRZZAUPQMC-UHFFFAOYSA-N 1 3 296.459 1.666 20 30 CDEDHO C=CCN(C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869155 1185374673 /nfs/dbraw/zinc/37/46/73/1185374673.db2.gz JBDOCDAHQMIASI-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000352815311 526593756 /nfs/dbraw/zinc/59/37/56/526593756.db2.gz ATXDRGDJZCCABB-CYBMUJFWSA-N 1 3 282.432 1.276 20 30 CDEDHO CC(C#N)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738519730 576085654 /nfs/dbraw/zinc/08/56/54/576085654.db2.gz FZFKSRMKMOCOJK-LBPRGKRZSA-N 1 3 259.353 1.866 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977451998 613037529 /nfs/dbraw/zinc/03/75/29/613037529.db2.gz KBAQOQOAFDVLPG-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977451998 613037530 /nfs/dbraw/zinc/03/75/30/613037530.db2.gz KBAQOQOAFDVLPG-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948240486 613162654 /nfs/dbraw/zinc/16/26/54/613162654.db2.gz GMVCGDAAVABFAJ-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948240486 613162655 /nfs/dbraw/zinc/16/26/55/613162655.db2.gz GMVCGDAAVABFAJ-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972330747 613283504 /nfs/dbraw/zinc/28/35/04/613283504.db2.gz GWVXULQWOKLZLF-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972330747 613283506 /nfs/dbraw/zinc/28/35/06/613283506.db2.gz GWVXULQWOKLZLF-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676805 613299680 /nfs/dbraw/zinc/29/96/80/613299680.db2.gz JBEVNPJCKDNMQR-CJNGLKHVSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149208 613323714 /nfs/dbraw/zinc/32/37/14/613323714.db2.gz CQISJQQWZZRVDI-ZBFHGGJFSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775336 613700918 /nfs/dbraw/zinc/70/09/18/613700918.db2.gz GEKTYDANRIHGPT-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775336 613700919 /nfs/dbraw/zinc/70/09/19/613700919.db2.gz GEKTYDANRIHGPT-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762949 629479841 /nfs/dbraw/zinc/47/98/41/629479841.db2.gz TWQXAHCRPSVEEJ-GFCCVEGCSA-N 1 3 257.422 1.918 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232805 1158546163 /nfs/dbraw/zinc/54/61/63/1158546163.db2.gz QLBGRBXKAAAGHU-OAHLLOKOSA-N 1 3 291.439 1.228 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001022070203 1158835988 /nfs/dbraw/zinc/83/59/88/1158835988.db2.gz RVVMGJOXKIUTGG-ZNMIVQPWSA-N 1 3 279.428 1.672 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781905 1159555615 /nfs/dbraw/zinc/55/56/15/1159555615.db2.gz VDPDNDUWAUDZAJ-LEOABGAYSA-N 1 3 289.423 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781905 1159555618 /nfs/dbraw/zinc/55/56/18/1159555618.db2.gz VDPDNDUWAUDZAJ-LEOABGAYSA-N 1 3 289.423 1.093 20 30 CDEDHO C#Cc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000809616236 1163049079 /nfs/dbraw/zinc/04/90/79/1163049079.db2.gz LPLHYJLRYQVSEK-KRWDZBQOSA-N 1 3 299.418 1.345 20 30 CDEDHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001734297119 1183718534 /nfs/dbraw/zinc/71/85/34/1183718534.db2.gz GMDCVEULZYXOHH-CVEARBPZSA-N 1 3 293.455 1.423 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001752832917 1184927386 /nfs/dbraw/zinc/92/73/86/1184927386.db2.gz RYUOQQIIXHSFNM-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001753756092 1185329412 /nfs/dbraw/zinc/32/94/12/1185329412.db2.gz ZRFXMVNJAQBOBB-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCNCCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754050566 1185442003 /nfs/dbraw/zinc/44/20/03/1185442003.db2.gz CYWSHXMHRXCBJT-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO CC#CCNCCN(CC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754050566 1185442009 /nfs/dbraw/zinc/44/20/09/1185442009.db2.gz CYWSHXMHRXCBJT-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001754734486 1185717830 /nfs/dbraw/zinc/71/78/30/1185717830.db2.gz WNPGRJOCNTTZJP-KRWDZBQOSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001754734486 1185717835 /nfs/dbraw/zinc/71/78/35/1185717835.db2.gz WNPGRJOCNTTZJP-KRWDZBQOSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531250 1165202457 /nfs/dbraw/zinc/20/24/57/1165202457.db2.gz DPTDEVHPNPHETJ-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525591 784126153 /nfs/dbraw/zinc/12/61/53/784126153.db2.gz QBWFNHQMGSFPNY-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995887469 784414053 /nfs/dbraw/zinc/41/40/53/784414053.db2.gz PIMGQUJJKCALDJ-CQSZACIVSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215393 784556488 /nfs/dbraw/zinc/55/64/88/784556488.db2.gz YWFXWCQELHQMOW-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034215393 784556499 /nfs/dbraw/zinc/55/64/99/784556499.db2.gz YWFXWCQELHQMOW-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCN1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007787027 785063851 /nfs/dbraw/zinc/06/38/51/785063851.db2.gz MTQIUXJANRYRLV-OAHLLOKOSA-N 1 3 291.439 1.772 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919130 785870777 /nfs/dbraw/zinc/87/07/77/785870777.db2.gz STKZFSFJKMOQON-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919130 785870781 /nfs/dbraw/zinc/87/07/81/785870781.db2.gz STKZFSFJKMOQON-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000876723825 786601474 /nfs/dbraw/zinc/60/14/74/786601474.db2.gz XYTNQGXXNSRYML-AGIUHOORSA-N 1 3 287.835 1.835 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000876723825 786601507 /nfs/dbraw/zinc/60/15/07/786601507.db2.gz XYTNQGXXNSRYML-AGIUHOORSA-N 1 3 287.835 1.835 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2CC)CC1(C)C ZINC000996669469 786725168 /nfs/dbraw/zinc/72/51/68/786725168.db2.gz GAKQBEBWIFIQNO-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997008618 786959680 /nfs/dbraw/zinc/95/96/80/786959680.db2.gz WADAVBGNIWJQEC-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050669170 787845636 /nfs/dbraw/zinc/84/56/36/787845636.db2.gz TVJAPBZNVJSIGC-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001005478017 787918793 /nfs/dbraw/zinc/91/87/93/787918793.db2.gz SYDWEQBQDRKXDP-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001005478017 787918844 /nfs/dbraw/zinc/91/88/44/787918844.db2.gz SYDWEQBQDRKXDP-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000883176052 788077582 /nfs/dbraw/zinc/07/75/82/788077582.db2.gz UTVKVIMTFAEMBN-OWCLPIDISA-N 1 3 282.428 1.547 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795803 788307361 /nfs/dbraw/zinc/30/73/61/788307361.db2.gz NPQBMYOHOLVGCC-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCCCCC1)CN1CCN(C)CC1 ZINC000305052828 788403118 /nfs/dbraw/zinc/40/31/18/788403118.db2.gz ICQQTINYAUSSGL-HNNXBMFYSA-N 1 3 295.475 1.061 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263505 788890195 /nfs/dbraw/zinc/89/01/95/788890195.db2.gz QRVNVTGGTFQZHK-AWEZNQCLSA-N 1 3 277.412 1.239 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928617 788900655 /nfs/dbraw/zinc/90/06/55/788900655.db2.gz ULHPQHZCWQAXKO-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027928617 788900693 /nfs/dbraw/zinc/90/06/93/788900693.db2.gz ULHPQHZCWQAXKO-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817917452 789756434 /nfs/dbraw/zinc/75/64/34/789756434.db2.gz GVXYZXRMXUFKBZ-UKRRQHHQSA-N 1 3 259.353 1.806 20 30 CDEDHO C=CCN1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000188184533 789792128 /nfs/dbraw/zinc/79/21/28/789792128.db2.gz YMSXIQSSHRDGAO-UHFFFAOYSA-N 1 3 253.390 1.272 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097999 789805332 /nfs/dbraw/zinc/80/53/32/789805332.db2.gz JJZVWHKZACTTAA-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028097999 789805333 /nfs/dbraw/zinc/80/53/33/789805333.db2.gz JJZVWHKZACTTAA-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001020676054 894522790 /nfs/dbraw/zinc/52/27/90/894522790.db2.gz PXEKBIJGNSERRG-KKUMJFAQSA-N 1 3 277.412 1.119 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176285105 914018069 /nfs/dbraw/zinc/01/80/69/914018069.db2.gz MXDCJQQQHMUFKD-OAHLLOKOSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350268 914081306 /nfs/dbraw/zinc/08/13/06/914081306.db2.gz APFHLSVRSMLOAJ-LBPRGKRZSA-N 1 3 276.384 1.158 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666270 914116177 /nfs/dbraw/zinc/11/61/77/914116177.db2.gz ISORUUIVWKULOJ-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001023024908 897298209 /nfs/dbraw/zinc/29/82/09/897298209.db2.gz LPECZENAUQQQQA-TXEJJXNPSA-N 1 3 262.357 1.074 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985711927 907021546 /nfs/dbraw/zinc/02/15/46/907021546.db2.gz AGJYQQKLZXTJTN-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985711927 907021563 /nfs/dbraw/zinc/02/15/63/907021563.db2.gz AGJYQQKLZXTJTN-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076204921 909816717 /nfs/dbraw/zinc/81/67/17/909816717.db2.gz DWTBIWLJALHYDB-LSDHHAIUSA-N 1 3 277.412 1.047 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CCC[NH3+])CC1 ZINC001172301634 911543988 /nfs/dbraw/zinc/54/39/88/911543988.db2.gz SLVUVDXZQWVVPD-HNNXBMFYSA-N 1 3 286.423 1.456 20 30 CDEDHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)C(C)C#N ZINC001179902530 916085327 /nfs/dbraw/zinc/08/53/27/916085327.db2.gz NJNYMVOPPOHBCS-JTQLQIEISA-N 1 3 258.325 1.631 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182638205 917997475 /nfs/dbraw/zinc/99/74/75/917997475.db2.gz ZLVPFLKAPCEUBS-HLLBOEOZSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255220 918412264 /nfs/dbraw/zinc/41/22/64/918412264.db2.gz LFZZFVDXYOQOJF-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255220 918412272 /nfs/dbraw/zinc/41/22/72/918412272.db2.gz LFZZFVDXYOQOJF-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273487694 919191663 /nfs/dbraw/zinc/19/16/63/919191663.db2.gz OKXULZJGZAYJCV-INIZCTEOSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273487694 919191668 /nfs/dbraw/zinc/19/16/68/919191668.db2.gz OKXULZJGZAYJCV-INIZCTEOSA-N 1 3 279.428 1.439 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184585208 919201543 /nfs/dbraw/zinc/20/15/43/919201543.db2.gz KPUONBWZKZEJGF-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203010831 936685348 /nfs/dbraw/zinc/68/53/48/936685348.db2.gz WLWWKQCWSLCONM-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028379 936706719 /nfs/dbraw/zinc/70/67/19/936706719.db2.gz MUMCFPPCOYKSDE-KGLIPLIRSA-N 1 3 291.439 1.674 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190654647 922123352 /nfs/dbraw/zinc/12/33/52/922123352.db2.gz KRXKPIQSNMZZEP-HOTGVXAUSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190654647 922123360 /nfs/dbraw/zinc/12/33/60/922123360.db2.gz KRXKPIQSNMZZEP-HOTGVXAUSA-N 1 3 293.455 1.826 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)nc1 ZINC001205571026 922762259 /nfs/dbraw/zinc/76/22/59/922762259.db2.gz RSPXTRGJIOVVHB-AWEZNQCLSA-N 1 3 262.332 1.606 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192007884 922869053 /nfs/dbraw/zinc/86/90/53/922869053.db2.gz SPZIWUMJFMVOAB-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039178 924028143 /nfs/dbraw/zinc/02/81/43/924028143.db2.gz LDCQOMDBVLPEGR-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039178 924028155 /nfs/dbraw/zinc/02/81/55/924028155.db2.gz LDCQOMDBVLPEGR-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266704 924141001 /nfs/dbraw/zinc/14/10/01/924141001.db2.gz YSSTYGOLGZSRNL-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266704 924141009 /nfs/dbraw/zinc/14/10/09/924141009.db2.gz YSSTYGOLGZSRNL-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788109 925859735 /nfs/dbraw/zinc/85/97/35/925859735.db2.gz LQAVBNPCKGMFGJ-HNNXBMFYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087912 937041262 /nfs/dbraw/zinc/04/12/62/937041262.db2.gz BEVLQRPOWPSAIP-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087912 937041265 /nfs/dbraw/zinc/04/12/65/937041265.db2.gz BEVLQRPOWPSAIP-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085973029 926564888 /nfs/dbraw/zinc/56/48/88/926564888.db2.gz NFQCVRWCTMXEMP-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085973029 926564897 /nfs/dbraw/zinc/56/48/97/926564897.db2.gz NFQCVRWCTMXEMP-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC)CC1 ZINC001085985057 926570373 /nfs/dbraw/zinc/57/03/73/926570373.db2.gz RLTONRXGBHLTCU-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC)CC1 ZINC001085985057 926570379 /nfs/dbraw/zinc/57/03/79/926570379.db2.gz RLTONRXGBHLTCU-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773733 929892256 /nfs/dbraw/zinc/89/22/56/929892256.db2.gz RAXRHYURNQMRDM-QWHCGFSZSA-N 1 3 267.417 1.223 20 30 CDEDHO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979922 930580524 /nfs/dbraw/zinc/58/05/24/930580524.db2.gz KGSCKSWCUJNAEJ-HUUCEWRRSA-N 1 3 299.459 1.404 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070184 937500159 /nfs/dbraw/zinc/50/01/59/937500159.db2.gz RYYWIVVSTGFRES-CYBMUJFWSA-N 1 3 267.417 1.177 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070184 937500161 /nfs/dbraw/zinc/50/01/61/937500161.db2.gz RYYWIVVSTGFRES-CYBMUJFWSA-N 1 3 267.417 1.177 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147811580 932605148 /nfs/dbraw/zinc/60/51/48/932605148.db2.gz QHKMCAYWJIDJCL-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147811580 932605152 /nfs/dbraw/zinc/60/51/52/932605152.db2.gz QHKMCAYWJIDJCL-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838600 932795549 /nfs/dbraw/zinc/79/55/49/932795549.db2.gz BPYFWKIFVJRPOW-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838600 932795556 /nfs/dbraw/zinc/79/55/56/932795556.db2.gz BPYFWKIFVJRPOW-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900134 937686255 /nfs/dbraw/zinc/68/62/55/937686255.db2.gz BIVVLNKULFEFTQ-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900134 937686257 /nfs/dbraw/zinc/68/62/57/937686257.db2.gz BIVVLNKULFEFTQ-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794309 934969719 /nfs/dbraw/zinc/96/97/19/934969719.db2.gz GMJNRWMNFAUXHD-FXUDXRNXSA-N 1 3 293.455 1.585 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794309 934969725 /nfs/dbraw/zinc/96/97/25/934969725.db2.gz GMJNRWMNFAUXHD-FXUDXRNXSA-N 1 3 293.455 1.585 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001120596035 937815763 /nfs/dbraw/zinc/81/57/63/937815763.db2.gz ADNBEBFSCGAHGV-CQSZACIVSA-N 1 3 294.443 1.407 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303881062 935046154 /nfs/dbraw/zinc/04/61/54/935046154.db2.gz HIQXHOVYQHBSGR-UHFFFAOYSA-N 1 3 292.427 1.102 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079756 938580543 /nfs/dbraw/zinc/58/05/43/938580543.db2.gz PHPJFRCBJKTDMT-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628789 938742298 /nfs/dbraw/zinc/74/22/98/938742298.db2.gz QJFQZLMSYBXBEE-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628789 938742300 /nfs/dbraw/zinc/74/23/00/938742300.db2.gz QJFQZLMSYBXBEE-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO N#Cc1ccc(C(F)(F)N[C@H](N)CCC[NH3+])nc1Cl ZINC001159780295 938752192 /nfs/dbraw/zinc/75/21/92/938752192.db2.gz WYABWBNLBMHOMJ-VIFPVBQESA-N 1 3 289.717 1.269 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2c(C#N)c[nH]c2n1 ZINC001163126021 939206918 /nfs/dbraw/zinc/20/69/18/939206918.db2.gz NHDVEQSBZSLKHY-UHFFFAOYSA-N 1 3 299.382 1.713 20 30 CDEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928638 940112604 /nfs/dbraw/zinc/11/26/04/940112604.db2.gz CVFPXBVOFQZOGW-UHFFFAOYSA-N 1 3 293.455 1.877 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208333912 940321113 /nfs/dbraw/zinc/32/11/13/940321113.db2.gz AGVTZWOIALIYET-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001215002073 940851056 /nfs/dbraw/zinc/85/10/56/940851056.db2.gz YEVVEDKMZBTFBD-CHWSQXEVSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641853 941250108 /nfs/dbraw/zinc/25/01/08/941250108.db2.gz XUAOXJKQXSHPEM-AWEZNQCLSA-N 1 3 291.399 1.430 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223467396 941680241 /nfs/dbraw/zinc/68/02/41/941680241.db2.gz ZMFKZSVBLHAJFS-INIZCTEOSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227047477 942120752 /nfs/dbraw/zinc/12/07/52/942120752.db2.gz HKBQXPAWCHHGDU-MGPQQGTHSA-N 1 3 267.417 1.530 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001229746681 942524715 /nfs/dbraw/zinc/52/47/15/942524715.db2.gz QVNALBZFHBJXED-KFWWJZLASA-N 1 3 279.428 1.367 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001263172173 943774732 /nfs/dbraw/zinc/77/47/32/943774732.db2.gz MJEDZYGLGJISAT-MELADBBJSA-N 1 3 267.417 1.637 20 30 CDEDHO C=CCN1CCC[C@@H]([NH2+][C@H]2CCCN(C)CC2)C1=O ZINC001254510398 947474367 /nfs/dbraw/zinc/47/43/67/947474367.db2.gz VLFSIXPTUQYTFH-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246088480 947937143 /nfs/dbraw/zinc/93/71/43/947937143.db2.gz KBFLUSIOQNCMNJ-VBNZEHGJSA-N 1 3 291.370 1.141 20 30 CDEDHO C[C@@H]1C[C@@H](NC(=N)c2ccc(Cl)cn2)CC[NH2+]1 ZINC001246213250 948031840 /nfs/dbraw/zinc/03/18/40/948031840.db2.gz DPODGEXKJRRPAQ-SCZZXKLOSA-N 1 3 252.749 1.581 20 30 CDEDHO N#CC1(CNC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256853827 948434918 /nfs/dbraw/zinc/43/49/18/948434918.db2.gz VNQOMYIQGJNDMW-UHFFFAOYSA-N 1 3 256.353 1.944 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253586502 951977782 /nfs/dbraw/zinc/97/77/82/951977782.db2.gz NVUVLGYTCAQXFJ-SQNIBIBYSA-N 1 3 286.419 1.987 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001253586502 951977787 /nfs/dbraw/zinc/97/77/87/951977787.db2.gz NVUVLGYTCAQXFJ-SQNIBIBYSA-N 1 3 286.419 1.987 20 30 CDEDHO N#CCOc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC001326473403 954398437 /nfs/dbraw/zinc/39/84/37/954398437.db2.gz JJOYBDYPQPAXAH-HIFRSBDPSA-N 1 3 259.353 1.806 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340351158 962904052 /nfs/dbraw/zinc/90/40/52/962904052.db2.gz NHMCEYCKFKSOOL-UONOGXRCSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001341768949 963537799 /nfs/dbraw/zinc/53/77/99/963537799.db2.gz XHFZSWSEQCHVJD-CQSZACIVSA-N 1 3 279.428 1.662 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001353729564 968190472 /nfs/dbraw/zinc/19/04/72/968190472.db2.gz UTPKHNZNPZMHBS-RDBSUJKOSA-N 1 3 265.401 1.365 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001353729564 968190477 /nfs/dbraw/zinc/19/04/77/968190477.db2.gz UTPKHNZNPZMHBS-RDBSUJKOSA-N 1 3 265.401 1.365 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100563555 968711094 /nfs/dbraw/zinc/71/10/94/968711094.db2.gz MWHBCFABSLRNAZ-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132931815 1163512233 /nfs/dbraw/zinc/51/22/33/1163512233.db2.gz DLTXPPVCCKCBJA-LSDHHAIUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346542 1163643928 /nfs/dbraw/zinc/64/39/28/1163643928.db2.gz MOFFZAQSBNZHPV-CVEARBPZSA-N 1 3 295.471 1.977 20 30 CDEDHO CN1CCN(CCCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602508396 350115650 /nfs/dbraw/zinc/11/56/50/350115650.db2.gz BUOMZRRSLZHIDP-UHFFFAOYSA-N 1 3 287.411 1.070 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000580309342 365985546 /nfs/dbraw/zinc/98/55/46/365985546.db2.gz RGTKBQJGRFMNHR-RYUDHWBXSA-N 1 3 268.405 1.062 20 30 CDEDHO C=CCNC(=[NH2+])NCCc1ccc(OCCN(C)C)cc1 ZINC000264322367 363032737 /nfs/dbraw/zinc/03/27/37/363032737.db2.gz XXXWNKGJXJZKJM-UHFFFAOYSA-N 1 3 290.411 1.260 20 30 CDEDHO CC(C)N(CCNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000170905687 365158324 /nfs/dbraw/zinc/15/83/24/365158324.db2.gz QSMZWCDFRSDYFV-UHFFFAOYSA-N 1 3 263.389 1.927 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(C)noc1C ZINC000170911437 365161183 /nfs/dbraw/zinc/16/11/83/365161183.db2.gz ZXAQAXQHZCKFMZ-LBPRGKRZSA-N 1 3 279.388 1.180 20 30 CDEDHO CNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246173658 376532618 /nfs/dbraw/zinc/53/26/18/376532618.db2.gz MRZKVRAHCQLEDS-ZYHUDNBSSA-N 1 3 266.414 1.665 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417518037 377816821 /nfs/dbraw/zinc/81/68/21/377816821.db2.gz AJPARHLGVCWRSY-UHFFFAOYSA-N 1 3 294.443 1.596 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417533147 377866681 /nfs/dbraw/zinc/86/66/81/377866681.db2.gz UJBAFADXTHFGBB-CQSZACIVSA-N 1 3 280.416 1.160 20 30 CDEDHO COCCC[NH+]1CCC(N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442778546 391029804 /nfs/dbraw/zinc/02/98/04/391029804.db2.gz HDQXSFHXLZZWIA-UKRRQHHQSA-N 1 3 265.401 1.769 20 30 CDEDHO NC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267412296 391193819 /nfs/dbraw/zinc/19/38/19/391193819.db2.gz YMEWGEJCDBEHEY-UHFFFAOYSA-N 1 3 290.411 1.331 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309667229 391267976 /nfs/dbraw/zinc/26/79/76/391267976.db2.gz ACKDZMXOAWMUPN-UKRRQHHQSA-N 1 3 271.364 1.784 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309667229 391267982 /nfs/dbraw/zinc/26/79/82/391267982.db2.gz ACKDZMXOAWMUPN-UKRRQHHQSA-N 1 3 271.364 1.784 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC(C[NH2+]CC)CC1 ZINC000130005612 260391573 /nfs/dbraw/zinc/39/15/73/260391573.db2.gz ARMMJOOMOPQXBZ-UHFFFAOYSA-N 1 3 279.428 1.509 20 30 CDEDHO CNC(NC[C@H]1CN(Cc2ccccc2)CCCO1)=[NH+]C ZINC000190527653 264392738 /nfs/dbraw/zinc/39/27/38/264392738.db2.gz PZJULLVSJDIGFI-HNNXBMFYSA-N 1 3 290.411 1.072 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000344146335 289236117 /nfs/dbraw/zinc/23/61/17/289236117.db2.gz YMXFTOXFKVHQEC-XBFCOCLRSA-N 1 3 279.384 1.030 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCOCC1 ZINC000262196362 330001662 /nfs/dbraw/zinc/00/16/62/330001662.db2.gz ZHVKJVVGFCXAJW-CYBMUJFWSA-N 1 3 282.432 1.192 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)C(C)C ZINC000269250461 330068101 /nfs/dbraw/zinc/06/81/01/330068101.db2.gz XYTQWBKDMAXAGH-GJZGRUSLSA-N 1 3 281.444 1.657 20 30 CDEDHO C=CC(C)(C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423153098 330173034 /nfs/dbraw/zinc/17/30/34/330173034.db2.gz MYOSLSQRKODYJL-BFHYXJOUSA-N 1 3 252.402 1.945 20 30 CDEDHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424154802 330301889 /nfs/dbraw/zinc/30/18/89/330301889.db2.gz MAMDFRWZTQAJGN-KBPBESRZSA-N 1 3 294.443 1.634 20 30 CDEDHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424154802 330301890 /nfs/dbraw/zinc/30/18/90/330301890.db2.gz MAMDFRWZTQAJGN-KBPBESRZSA-N 1 3 294.443 1.634 20 30 CDEDHO C=C(C)CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515213563 330473238 /nfs/dbraw/zinc/47/32/38/330473238.db2.gz KQMCQJPFQARTLG-UHFFFAOYSA-N 1 3 270.421 1.087 20 30 CDEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754569391 1159281829 /nfs/dbraw/zinc/28/18/29/1159281829.db2.gz NECCDYICBBLBGH-QGZVFWFLSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754569391 1159281833 /nfs/dbraw/zinc/28/18/33/1159281833.db2.gz NECCDYICBBLBGH-QGZVFWFLSA-N 1 3 291.439 1.276 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001731651608 1159322204 /nfs/dbraw/zinc/32/22/04/1159322204.db2.gz GCSNMDCRAJQNFP-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCCC[NH2+][C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001752912212 1161138663 /nfs/dbraw/zinc/13/86/63/1161138663.db2.gz ADRNPSSFKOBEPY-LLVKDONJSA-N 1 3 264.373 1.321 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001752789035 1184914170 /nfs/dbraw/zinc/91/41/70/1184914170.db2.gz WFEYCQRWWNIBLU-HNNXBMFYSA-N 1 3 279.428 1.180 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001752789035 1184914176 /nfs/dbraw/zinc/91/41/76/1184914176.db2.gz WFEYCQRWWNIBLU-HNNXBMFYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001753850430 1185358819 /nfs/dbraw/zinc/35/88/19/1185358819.db2.gz XAZPDSXEZNMGOR-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001753850430 1185358825 /nfs/dbraw/zinc/35/88/25/1185358825.db2.gz XAZPDSXEZNMGOR-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO CC#CC[NH2+]C[C@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001755835961 1186084504 /nfs/dbraw/zinc/08/45/04/1186084504.db2.gz JZOQXIVGQRPDIT-AWEZNQCLSA-N 1 3 281.444 1.472 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538209 1162209538 /nfs/dbraw/zinc/20/95/38/1162209538.db2.gz CBTGFLUVQCMGCO-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538209 1162209542 /nfs/dbraw/zinc/20/95/42/1162209542.db2.gz CBTGFLUVQCMGCO-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000729941779 574831917 /nfs/dbraw/zinc/83/19/17/574831917.db2.gz CCGDXUBRCHKUDU-UHFFFAOYSA-N 1 3 296.484 1.195 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970330031 612996696 /nfs/dbraw/zinc/99/66/96/612996696.db2.gz YQFXKSCCSXRIMP-KKUMJFAQSA-N 1 3 291.439 1.177 20 30 CDEDHO 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ZINC001088980183 912425785 /nfs/dbraw/zinc/42/57/85/912425785.db2.gz ACRJZZWFFYGVCK-ILXRZTDVSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175115091 913451049 /nfs/dbraw/zinc/45/10/49/913451049.db2.gz LBCZJWXHUPPTSD-JKSUJKDBSA-N 1 3 295.471 1.861 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001266439195 894897536 /nfs/dbraw/zinc/89/75/36/894897536.db2.gz JNAJIVUVUGWYEZ-LSDHHAIUSA-N 1 3 281.444 1.633 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350900 914079480 /nfs/dbraw/zinc/07/94/80/914079480.db2.gz MULJUYUUIZWVTM-ZDUSSCGKSA-N 1 3 290.411 1.549 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666291 914115920 /nfs/dbraw/zinc/11/59/20/914115920.db2.gz JKGYNFALVPXBIR-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679619 898877828 /nfs/dbraw/zinc/87/78/28/898877828.db2.gz LOXGNIORKGSIRC-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481703566 901844835 /nfs/dbraw/zinc/84/48/35/901844835.db2.gz WANQDEYFARUDSX-KGLIPLIRSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481703566 901844840 /nfs/dbraw/zinc/84/48/40/901844840.db2.gz WANQDEYFARUDSX-KGLIPLIRSA-N 1 3 267.417 1.339 20 30 CDEDHO C#CCC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001483490901 911182699 /nfs/dbraw/zinc/18/26/99/911182699.db2.gz SDRDTAVPUSVRSN-CQSZACIVSA-N 1 3 267.417 1.034 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203459503 919301135 /nfs/dbraw/zinc/30/11/35/919301135.db2.gz GMTMGNKCBWQODJ-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650901 919690694 /nfs/dbraw/zinc/69/06/94/919690694.db2.gz QGCSZMMGBCYQTO-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186420970 920026993 /nfs/dbraw/zinc/02/69/93/920026993.db2.gz TUISLUFXVGKKNW-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188139833 920855574 /nfs/dbraw/zinc/85/55/74/920855574.db2.gz ROZMIYBFNRSJNX-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C[NH+]1CC2(C1)CCN(Cc1ccc(C#N)nc1)CC2 ZINC001140545820 936723236 /nfs/dbraw/zinc/72/32/36/936723236.db2.gz MEWJXBCIRHVYIM-UHFFFAOYSA-N 1 3 256.353 1.481 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190666245 922108900 /nfs/dbraw/zinc/10/89/00/922108900.db2.gz KWQZUEKLHVWBRU-JKSUJKDBSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190666245 922108907 /nfs/dbraw/zinc/10/89/07/922108907.db2.gz KWQZUEKLHVWBRU-JKSUJKDBSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190654648 922125353 /nfs/dbraw/zinc/12/53/53/922125353.db2.gz KRXKPIQSNMZZEP-HZPDHXFCSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190654648 922125359 /nfs/dbraw/zinc/12/53/59/922125359.db2.gz KRXKPIQSNMZZEP-HZPDHXFCSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190901059 922258048 /nfs/dbraw/zinc/25/80/48/922258048.db2.gz UAUMZVMOGAUYRT-LSDHHAIUSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190901059 922258059 /nfs/dbraw/zinc/25/80/59/922258059.db2.gz UAUMZVMOGAUYRT-LSDHHAIUSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741808 924990561 /nfs/dbraw/zinc/99/05/61/924990561.db2.gz DFTYQSMASKKTJK-YRGRVCCFSA-N 1 3 299.846 1.517 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741808 924990563 /nfs/dbraw/zinc/99/05/63/924990563.db2.gz DFTYQSMASKKTJK-YRGRVCCFSA-N 1 3 299.846 1.517 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782711 924998592 /nfs/dbraw/zinc/99/85/92/924998592.db2.gz MGZFAPMFDMESTN-OAGGEKHMSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377669 937055356 /nfs/dbraw/zinc/05/53/56/937055356.db2.gz BEVLQRPOWPSAIP-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377669 937055359 /nfs/dbraw/zinc/05/53/59/937055359.db2.gz BEVLQRPOWPSAIP-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001112425485 937308896 /nfs/dbraw/zinc/30/88/96/937308896.db2.gz OBYXPBKUCUOZEJ-UXLLHSPISA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135468509 930217041 /nfs/dbraw/zinc/21/70/41/930217041.db2.gz QEXTWSIFTOTZTD-ZIAGYGMSSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135976779 930587335 /nfs/dbraw/zinc/58/73/35/930587335.db2.gz NQADSGCXBHFJFK-OLZOCXBDSA-N 1 3 255.406 1.387 20 30 CDEDHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCC#N ZINC001274042539 931140769 /nfs/dbraw/zinc/14/07/69/931140769.db2.gz HODCZXULOLUHLG-HUUCEWRRSA-N 1 3 292.427 1.307 20 30 CDEDHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCCC#N ZINC001274042539 931140774 /nfs/dbraw/zinc/14/07/74/931140774.db2.gz HODCZXULOLUHLG-HUUCEWRRSA-N 1 3 292.427 1.307 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274962492 931616716 /nfs/dbraw/zinc/61/67/16/931616716.db2.gz NDJRAHUGDHGCMG-IYBDPMFKSA-N 1 3 293.455 1.685 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274962492 931616719 /nfs/dbraw/zinc/61/67/19/931616719.db2.gz NDJRAHUGDHGCMG-IYBDPMFKSA-N 1 3 293.455 1.685 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171217840 931990196 /nfs/dbraw/zinc/99/01/96/931990196.db2.gz OLTUGWSCBLVGJP-LBPRGKRZSA-N 1 3 273.808 1.177 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171217840 931990198 /nfs/dbraw/zinc/99/01/98/931990198.db2.gz OLTUGWSCBLVGJP-LBPRGKRZSA-N 1 3 273.808 1.177 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155084687 937632160 /nfs/dbraw/zinc/63/21/60/937632160.db2.gz FHQPTZCDFWGUSW-HUUCEWRRSA-N 1 3 281.444 1.423 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012167 932910144 /nfs/dbraw/zinc/91/01/44/932910144.db2.gz RLOFEXHUOBAHKA-INMHGKMJSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012167 932910149 /nfs/dbraw/zinc/91/01/49/932910149.db2.gz RLOFEXHUOBAHKA-INMHGKMJSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628925 938742479 /nfs/dbraw/zinc/74/24/79/938742479.db2.gz RCOLRNABJPBCGI-HNNXBMFYSA-N 1 3 277.412 1.405 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628925 938742481 /nfs/dbraw/zinc/74/24/81/938742481.db2.gz RCOLRNABJPBCGI-HNNXBMFYSA-N 1 3 277.412 1.405 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159925513 938760567 /nfs/dbraw/zinc/76/05/67/938760567.db2.gz RSOUDCRUOFSVTA-CQSZACIVSA-N 1 3 267.417 1.389 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165809719 939578424 /nfs/dbraw/zinc/57/84/24/939578424.db2.gz MCGFEYNYOPEOGA-UHFFFAOYSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835978 940645188 /nfs/dbraw/zinc/64/51/88/940645188.db2.gz HDQUSUAYWPXNRT-GFCCVEGCSA-N 1 3 262.357 1.109 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210789872 940713295 /nfs/dbraw/zinc/71/32/95/940713295.db2.gz SIHWPTJYBHUTIW-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568467 940894175 /nfs/dbraw/zinc/89/41/75/940894175.db2.gz QFWAFUKSNASTRF-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223378426 941673869 /nfs/dbraw/zinc/67/38/69/941673869.db2.gz JIDUIYGKCZUSBI-CABCVRRESA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560417 941771082 /nfs/dbraw/zinc/77/10/82/941771082.db2.gz SXQPHZCFRLVBRV-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO CN1CCCC[C@@H]1CO[C@H](CC#N)C[N+](C)(C)C ZINC001224703185 941784420 /nfs/dbraw/zinc/78/44/20/941784420.db2.gz QYQMGJWKGINNRK-ZIAGYGMSSA-N 1 3 254.398 1.476 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225284002 941838896 /nfs/dbraw/zinc/83/88/96/941838896.db2.gz CDHXVTQLPMXMKP-UHFFFAOYSA-N 1 3 290.411 1.665 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001227619080 942197799 /nfs/dbraw/zinc/19/77/99/942197799.db2.gz MXAGCCDQRGWTLY-OAHLLOKOSA-N 1 3 299.434 1.823 20 30 CDEDHO C=CCOCC[NH+]1CCC(NC(=O)CN(C)CCC)CC1 ZINC001230112876 942584996 /nfs/dbraw/zinc/58/49/96/942584996.db2.gz FHUKONCWDRSBMB-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=C[C@@](C)(O)C[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001252557388 951448814 /nfs/dbraw/zinc/44/88/14/951448814.db2.gz LZLRRAUNOONVGG-MRXNPFEDSA-N 1 3 282.428 1.499 20 30 CDEDHO C=C[C@](C)(O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252584189 951478984 /nfs/dbraw/zinc/47/89/84/951478984.db2.gz ZKLPRUIOLZZHFG-KKUMJFAQSA-N 1 3 268.401 1.156 20 30 CDEDHO C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252622706 951516133 /nfs/dbraw/zinc/51/61/33/951516133.db2.gz YXIOMYUFNOHLRY-JYJNAYRXSA-N 1 3 282.428 1.547 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253578449 951968913 /nfs/dbraw/zinc/96/89/13/951968913.db2.gz BGKKWUUHHWSIIM-BBWFWOEESA-N 1 3 272.392 1.597 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001253578449 951968918 /nfs/dbraw/zinc/96/89/18/951968918.db2.gz BGKKWUUHHWSIIM-BBWFWOEESA-N 1 3 272.392 1.597 20 30 CDEDHO C=C[C@@H](O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001253606544 951990699 /nfs/dbraw/zinc/99/06/99/951990699.db2.gz JIKKMECMRZAPAM-OAHLLOKOSA-N 1 3 268.401 1.014 20 30 CDEDHO C=C[C@@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001253606544 951990704 /nfs/dbraw/zinc/99/07/04/951990704.db2.gz JIKKMECMRZAPAM-OAHLLOKOSA-N 1 3 268.401 1.014 20 30 CDEDHO C=C[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001253604144 951991254 /nfs/dbraw/zinc/99/12/54/951991254.db2.gz GTOCTUMFTILYOV-INIZCTEOSA-N 1 3 290.407 1.150 20 30 CDEDHO CCN1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001335395503 959770653 /nfs/dbraw/zinc/77/06/53/959770653.db2.gz VGRRRYMUIOBEPO-QWHCGFSZSA-N 1 3 253.390 1.219 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322680559 960295553 /nfs/dbraw/zinc/29/55/53/960295553.db2.gz KXFQCLHYJNCTAF-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719137 963090124 /nfs/dbraw/zinc/09/01/24/963090124.db2.gz KYCQQQABUFLMFN-STQMWFEESA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001340719137 963090133 /nfs/dbraw/zinc/09/01/33/963090133.db2.gz KYCQQQABUFLMFN-STQMWFEESA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC001343393793 963967111 /nfs/dbraw/zinc/96/71/11/963967111.db2.gz HFKZHVZWBANLRO-INIZCTEOSA-N 1 3 289.423 1.918 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200796522 968923027 /nfs/dbraw/zinc/92/30/27/968923027.db2.gz ZMEURLJAMYSBFH-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO C[N@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594440528 342907153 /nfs/dbraw/zinc/90/71/53/342907153.db2.gz DWHJQVPYRILYBH-HNNXBMFYSA-N 1 3 294.443 1.778 20 30 CDEDHO C[N@@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594440528 342907154 /nfs/dbraw/zinc/90/71/54/342907154.db2.gz DWHJQVPYRILYBH-HNNXBMFYSA-N 1 3 294.443 1.778 20 30 CDEDHO N#Cc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594493696 342913963 /nfs/dbraw/zinc/91/39/63/342913963.db2.gz HVXRMTUORHTMAV-KRWDZBQOSA-N 1 3 285.391 1.901 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000442765388 362088042 /nfs/dbraw/zinc/08/80/42/362088042.db2.gz JKUUMHCNPJDBRB-YCPHGPKFSA-N 1 3 277.412 1.769 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687342 342371908 /nfs/dbraw/zinc/37/19/08/342371908.db2.gz NWDSERFFVFRZFS-GDBMZVCRSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081687342 342371909 /nfs/dbraw/zinc/37/19/09/342371909.db2.gz NWDSERFFVFRZFS-GDBMZVCRSA-N 1 3 291.439 1.627 20 30 CDEDHO N#C[C@@H]1CCC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000602020495 344316728 /nfs/dbraw/zinc/31/67/28/344316728.db2.gz KLPXSHDIXFLRMS-KGLIPLIRSA-N 1 3 285.395 1.985 20 30 CDEDHO CC(C)(O)C[NH+]1CCC(NCC(C)(C)CC#N)CC1 ZINC000602691684 344540503 /nfs/dbraw/zinc/54/05/03/344540503.db2.gz PZMGLNUMUIJGSU-UHFFFAOYSA-N 1 3 267.417 1.751 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000613255107 347542507 /nfs/dbraw/zinc/54/25/07/347542507.db2.gz KHUOADFZWIYWFC-JKSUJKDBSA-N 1 3 278.444 1.686 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417518356 377795831 /nfs/dbraw/zinc/79/58/31/377795831.db2.gz BKVARLFQEJJWIQ-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417528952 377877598 /nfs/dbraw/zinc/87/75/98/377877598.db2.gz PLVPMCBDANSNHM-AWEZNQCLSA-N 1 3 282.432 1.309 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236660911 390918266 /nfs/dbraw/zinc/91/82/66/390918266.db2.gz IINGRRPZFAMNTC-CQSZACIVSA-N 1 3 277.412 1.143 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000345322944 391134302 /nfs/dbraw/zinc/13/43/02/391134302.db2.gz RYRMTLBCTKJQCL-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO CCN(CC)Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262667828 391809166 /nfs/dbraw/zinc/80/91/66/391809166.db2.gz POFLILJFRMMORN-UHFFFAOYSA-N 1 3 274.412 1.919 20 30 CDEDHO C=CCC[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659458 413344890 /nfs/dbraw/zinc/34/48/90/413344890.db2.gz PPHWVHLXGLEJHY-CABCVRRESA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659458 413344897 /nfs/dbraw/zinc/34/48/97/413344897.db2.gz PPHWVHLXGLEJHY-CABCVRRESA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(C[NH2+]CC)CC2)C1=O ZINC000420293723 329760235 /nfs/dbraw/zinc/76/02/35/329760235.db2.gz RROJQARYEAYLIG-AWEZNQCLSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000422981570 330162510 /nfs/dbraw/zinc/16/25/10/330162510.db2.gz SXTICLSPNQGTLI-DZGCQCFKSA-N 1 3 251.418 1.615 20 30 CDEDHO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423149067 330172931 /nfs/dbraw/zinc/17/29/31/330172931.db2.gz AGTDLDWSOQXFGY-OCCSQVGLSA-N 1 3 263.385 1.826 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000424136140 330272355 /nfs/dbraw/zinc/27/23/55/330272355.db2.gz ABSBAEZMJAMRQW-CABCVRRESA-N 1 3 292.427 1.484 20 30 CDEDHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424157100 330304584 /nfs/dbraw/zinc/30/45/84/330304584.db2.gz PDLKKELHLHESCU-XGUBFFRZSA-N 1 3 294.443 1.490 20 30 CDEDHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424157100 330304585 /nfs/dbraw/zinc/30/45/85/330304585.db2.gz PDLKKELHLHESCU-XGUBFFRZSA-N 1 3 294.443 1.490 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424286005 330334164 /nfs/dbraw/zinc/33/41/64/330334164.db2.gz GQIZENYZDTUMDZ-OAHLLOKOSA-N 1 3 291.439 1.651 20 30 CDEDHO C=C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000451605627 331036337 /nfs/dbraw/zinc/03/63/37/331036337.db2.gz DQGNBGJBJGHDRM-CVEARBPZSA-N 1 3 281.444 1.336 20 30 CDEDHO C#CCNC(=O)CCN[C@H](CC[NH+](C)C)C(C)(C)C ZINC000491715718 332305908 /nfs/dbraw/zinc/30/59/08/332305908.db2.gz QPWDQVKPCVCYTK-CYBMUJFWSA-N 1 3 267.417 1.082 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001752787072 1160260933 /nfs/dbraw/zinc/26/09/33/1160260933.db2.gz FWDIEBPRBNGCQY-JKSUJKDBSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001752787072 1160260935 /nfs/dbraw/zinc/26/09/35/1160260935.db2.gz FWDIEBPRBNGCQY-JKSUJKDBSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001733109113 1183293572 /nfs/dbraw/zinc/29/35/72/1183293572.db2.gz VDERTRVMQZABEB-ZDUSSCGKSA-N 1 3 287.835 1.661 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792553 612994416 /nfs/dbraw/zinc/99/44/16/612994416.db2.gz KNZLGGCJEPALDZ-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969792553 612994417 /nfs/dbraw/zinc/99/44/17/612994417.db2.gz KNZLGGCJEPALDZ-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000948069796 613131681 /nfs/dbraw/zinc/13/16/81/613131681.db2.gz KNDAWOVYUHYVNW-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000948069796 613131682 /nfs/dbraw/zinc/13/16/82/613131682.db2.gz KNDAWOVYUHYVNW-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947778405 613224625 /nfs/dbraw/zinc/22/46/25/613224625.db2.gz CJMRBBATAXRJPW-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485109 613861857 /nfs/dbraw/zinc/86/18/57/613861857.db2.gz GUSUXMPBJHDKOG-OLZOCXBDSA-N 1 3 276.384 1.464 20 30 CDEDHO OC[C@@H]1CCC[N@@H+]1CCCCNCC#Cc1ccccc1 ZINC000892950960 617966864 /nfs/dbraw/zinc/96/68/64/617966864.db2.gz IYHPPCPPAPKUPI-SFHVURJKSA-N 1 3 286.419 1.865 20 30 CDEDHO OC[C@@H]1CCC[N@H+]1CCCCNCC#Cc1ccccc1 ZINC000892950960 617966866 /nfs/dbraw/zinc/96/68/66/617966866.db2.gz IYHPPCPPAPKUPI-SFHVURJKSA-N 1 3 286.419 1.865 20 30 CDEDHO C=C1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000898701852 621845559 /nfs/dbraw/zinc/84/55/59/621845559.db2.gz ZZGBCSPDKUNMHJ-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787781 629512320 /nfs/dbraw/zinc/51/23/20/629512320.db2.gz MEJUGTANAUDBRT-KGLIPLIRSA-N 1 3 269.433 1.885 20 30 CDEDHO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1CCC ZINC001753735706 1159897638 /nfs/dbraw/zinc/89/76/38/1159897638.db2.gz BMDWTJIKYJWCME-HZPDHXFCSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001755833406 1160619826 /nfs/dbraw/zinc/61/98/26/1160619826.db2.gz YTNJTXCAJSZDIM-CQSZACIVSA-N 1 3 295.471 1.718 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114426056 1164961796 /nfs/dbraw/zinc/96/17/96/1164961796.db2.gz JEFVRJMRNVJUBB-TTZDDIAXSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114426056 1164961801 /nfs/dbraw/zinc/96/18/01/1164961801.db2.gz JEFVRJMRNVJUBB-TTZDDIAXSA-N 1 3 277.412 1.093 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001752832915 1184927590 /nfs/dbraw/zinc/92/75/90/1184927590.db2.gz RYUOQQIIXHSFNM-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001753671138 1185294483 /nfs/dbraw/zinc/29/44/83/1185294483.db2.gz RWMZZWDDQJDQKK-UHFFFAOYSA-N 1 3 281.444 1.921 20 30 CDEDHO C#C[C@](C)(CC)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000852103101 1164449924 /nfs/dbraw/zinc/44/99/24/1164449924.db2.gz XOTHHSHAVGFHRQ-MRXNPFEDSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230726 796534356 /nfs/dbraw/zinc/53/43/56/796534356.db2.gz QSTVZKASDKJCBI-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230726 796534367 /nfs/dbraw/zinc/53/43/67/796534367.db2.gz QSTVZKASDKJCBI-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322479 796863668 /nfs/dbraw/zinc/86/36/68/796863668.db2.gz BZJSLJKIPYNRJV-GDBMZVCRSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036734979 797071519 /nfs/dbraw/zinc/07/15/19/797071519.db2.gz BKYJEVHHBBTTQB-CABCVRRESA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036734979 797071527 /nfs/dbraw/zinc/07/15/27/797071527.db2.gz BKYJEVHHBBTTQB-CABCVRRESA-N 1 3 291.439 1.580 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001006445037 797512861 /nfs/dbraw/zinc/51/28/61/797512861.db2.gz YRVLZBNUSFPIMM-GJZGRUSLSA-N 1 3 293.455 1.968 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152664 797569494 /nfs/dbraw/zinc/56/94/94/797569494.db2.gz FYJDZENIKPKGDI-NVXWUHKLSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152664 797569527 /nfs/dbraw/zinc/56/95/27/797569527.db2.gz FYJDZENIKPKGDI-NVXWUHKLSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829440 797793690 /nfs/dbraw/zinc/79/36/90/797793690.db2.gz FSJVSJPYLDDZLF-HIFRSBDPSA-N 1 3 288.395 1.451 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036829440 797793703 /nfs/dbraw/zinc/79/37/03/797793703.db2.gz FSJVSJPYLDDZLF-HIFRSBDPSA-N 1 3 288.395 1.451 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401174 797835683 /nfs/dbraw/zinc/83/56/83/797835683.db2.gz BXQKBVGJVMBUFM-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001401174 797835686 /nfs/dbraw/zinc/83/56/86/797835686.db2.gz BXQKBVGJVMBUFM-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697953 797898476 /nfs/dbraw/zinc/89/84/76/797898476.db2.gz LZVSJPMWFQOULQ-BZUAXINKSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001049697953 797898477 /nfs/dbraw/zinc/89/84/77/797898477.db2.gz LZVSJPMWFQOULQ-BZUAXINKSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049697953 797898478 /nfs/dbraw/zinc/89/84/78/797898478.db2.gz LZVSJPMWFQOULQ-BZUAXINKSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001574902538 1167642792 /nfs/dbraw/zinc/64/27/92/1167642792.db2.gz CBQJKROCPMIZAT-HIFRSBDPSA-N 1 3 265.401 1.271 20 30 CDEDHO CC#CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992506748 913249505 /nfs/dbraw/zinc/24/95/05/913249505.db2.gz UHGTXEMAYOZPRP-ZMSDIMECSA-N 1 3 289.423 1.075 20 30 CDEDHO CC#CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992506748 913249520 /nfs/dbraw/zinc/24/95/20/913249520.db2.gz UHGTXEMAYOZPRP-ZMSDIMECSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001121957261 913291614 /nfs/dbraw/zinc/29/16/14/913291614.db2.gz RBYFWGZYWSMPJW-KKUMJFAQSA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001121957261 913291626 /nfs/dbraw/zinc/29/16/26/913291626.db2.gz RBYFWGZYWSMPJW-KKUMJFAQSA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001122153596 913488183 /nfs/dbraw/zinc/48/81/83/913488183.db2.gz GFHKEBLZFKCQIC-LSDHHAIUSA-N 1 3 295.427 1.040 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175785897 913787320 /nfs/dbraw/zinc/78/73/20/913787320.db2.gz GGTMRESLVPNBFT-OAHLLOKOSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001022077035 896065605 /nfs/dbraw/zinc/06/56/05/896065605.db2.gz IGKWMDGWYLJDCN-OKILXGFUSA-N 1 3 277.412 1.121 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023126486 897387962 /nfs/dbraw/zinc/38/79/62/897387962.db2.gz YHJUPDXIDKBLLK-IYBDPMFKSA-N 1 3 285.391 1.232 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024800965 898257531 /nfs/dbraw/zinc/25/75/31/898257531.db2.gz KCUWHJKLYLJXLV-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024800965 898257546 /nfs/dbraw/zinc/25/75/46/898257546.db2.gz KCUWHJKLYLJXLV-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nccs1 ZINC000170907274 898946691 /nfs/dbraw/zinc/94/66/91/898946691.db2.gz PNKNLQMPFUETOV-JTQLQIEISA-N 1 3 267.402 1.032 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148634 899431484 /nfs/dbraw/zinc/43/14/84/899431484.db2.gz VSCVEDIKTWQANJ-FAHYXWLWSA-N 1 3 277.412 1.092 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409788 900481357 /nfs/dbraw/zinc/48/13/57/900481357.db2.gz NUHHOQRSQYAPDP-CVEARBPZSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027409788 900481366 /nfs/dbraw/zinc/48/13/66/900481366.db2.gz NUHHOQRSQYAPDP-CVEARBPZSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449637 900506407 /nfs/dbraw/zinc/50/64/07/900506407.db2.gz FCCXKNNENRLLNO-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449637 900506413 /nfs/dbraw/zinc/50/64/13/900506413.db2.gz FCCXKNNENRLLNO-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001016335185 921249126 /nfs/dbraw/zinc/24/91/26/921249126.db2.gz BJGVELHURKECGO-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001016335185 921249133 /nfs/dbraw/zinc/24/91/33/921249133.db2.gz BJGVELHURKECGO-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCCCC1)N1CCC[C@@H](C)C1 ZINC000303909329 906681056 /nfs/dbraw/zinc/68/10/56/906681056.db2.gz YCRIRHOAMQSAPV-KGLIPLIRSA-N 1 3 266.433 1.907 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175813 909811877 /nfs/dbraw/zinc/81/18/77/909811877.db2.gz WSRAYDQGPLMPKS-YHUYYLMFSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175813 909811894 /nfs/dbraw/zinc/81/18/94/909811894.db2.gz WSRAYDQGPLMPKS-YHUYYLMFSA-N 1 3 291.439 1.435 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171500642 910805661 /nfs/dbraw/zinc/80/56/61/910805661.db2.gz MTYQXUUSXYSRNV-UONOGXRCSA-N 1 3 267.417 1.224 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732167 915571439 /nfs/dbraw/zinc/57/14/39/915571439.db2.gz NUELWUOMNWCXKD-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732167 915571448 /nfs/dbraw/zinc/57/14/48/915571448.db2.gz NUELWUOMNWCXKD-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180159060 916188289 /nfs/dbraw/zinc/18/82/89/916188289.db2.gz WRAADCWUZNLLAU-UHFFFAOYSA-N 1 3 290.411 1.550 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369436 916323248 /nfs/dbraw/zinc/32/32/48/916323248.db2.gz FRRGWYVENWJWLD-UHFFFAOYSA-N 1 3 267.417 1.226 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303711688 935040561 /nfs/dbraw/zinc/04/05/61/935040561.db2.gz PMTVWGVWXAIPTH-ZDUSSCGKSA-N 1 3 276.384 1.906 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779600 936374004 /nfs/dbraw/zinc/37/40/04/936374004.db2.gz UDNRJUDMNQUZIW-OAGGEKHMSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)CC2 ZINC001181553340 917152190 /nfs/dbraw/zinc/15/21/90/917152190.db2.gz VWFZJRQESJEESZ-AWEZNQCLSA-N 1 3 277.412 1.239 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581921 918553567 /nfs/dbraw/zinc/55/35/67/918553567.db2.gz PHBJMGQTWCDYLW-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184555936 919192202 /nfs/dbraw/zinc/19/22/02/919192202.db2.gz NEGIDNUKCRAOCJ-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842364 920681076 /nfs/dbraw/zinc/68/10/76/920681076.db2.gz LAKWKFGJKBTHFG-CQSZACIVSA-N 1 3 265.401 1.239 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027223 936705702 /nfs/dbraw/zinc/70/57/02/936705702.db2.gz DAICHZOAPFBKLR-KGLIPLIRSA-N 1 3 289.423 1.121 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203037097 936711025 /nfs/dbraw/zinc/71/10/25/936711025.db2.gz RLLAPZRIQPPFEL-GJZGRUSLSA-N 1 3 289.423 1.121 20 30 CDEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005179371 922247704 /nfs/dbraw/zinc/24/77/04/922247704.db2.gz NRTOXYLWCVHMEK-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033661060 922307436 /nfs/dbraw/zinc/30/74/36/922307436.db2.gz KLQBCGZRKQCMBH-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033661060 922307462 /nfs/dbraw/zinc/30/74/62/922307462.db2.gz KLQBCGZRKQCMBH-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C#CCCN1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014750 922449678 /nfs/dbraw/zinc/44/96/78/922449678.db2.gz CTZKVZQXTIEIGS-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342672 923015581 /nfs/dbraw/zinc/01/55/81/923015581.db2.gz JOLQAHLRNDXYPV-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342672 923015596 /nfs/dbraw/zinc/01/55/96/923015596.db2.gz JOLQAHLRNDXYPV-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001036193094 923117099 /nfs/dbraw/zinc/11/70/99/923117099.db2.gz KLRAGGHJSOUUGI-TZMCWYRMSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CCCN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942745 925017681 /nfs/dbraw/zinc/01/76/81/925017681.db2.gz IOSZHMCZRIEFDP-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO CCc1cc(C(=O)N(CCCC[NH3+])C(=N)N)ccc1C#N ZINC001197292418 925116342 /nfs/dbraw/zinc/11/63/42/925116342.db2.gz OMUDAXTWPAWCGR-UHFFFAOYSA-N 1 3 287.367 1.195 20 30 CDEDHO C=CCN1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488258 925267261 /nfs/dbraw/zinc/26/72/61/925267261.db2.gz SMVDYANMPOIANQ-GDBMZVCRSA-N 1 3 296.374 1.667 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)[C@@H]2C1 ZINC001084488258 925267270 /nfs/dbraw/zinc/26/72/70/925267270.db2.gz SMVDYANMPOIANQ-GDBMZVCRSA-N 1 3 296.374 1.667 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)[C@@H]2C1 ZINC001084488258 925267277 /nfs/dbraw/zinc/26/72/77/925267277.db2.gz SMVDYANMPOIANQ-GDBMZVCRSA-N 1 3 296.374 1.667 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375552 937055080 /nfs/dbraw/zinc/05/50/80/937055080.db2.gz POTOVCCJBAJFTM-HUUCEWRRSA-N 1 3 295.471 1.834 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375552 937055082 /nfs/dbraw/zinc/05/50/82/937055082.db2.gz POTOVCCJBAJFTM-HUUCEWRRSA-N 1 3 295.471 1.834 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524875 937063442 /nfs/dbraw/zinc/06/34/42/937063442.db2.gz BJJGEHFZYPULGT-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524875 937063444 /nfs/dbraw/zinc/06/34/44/937063444.db2.gz BJJGEHFZYPULGT-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226313 937138804 /nfs/dbraw/zinc/13/88/04/937138804.db2.gz CFBFVUMUDAYGOQ-UHFFFAOYSA-N 1 3 255.406 1.389 20 30 CDEDHO C=CC[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852410481 927785023 /nfs/dbraw/zinc/78/50/23/927785023.db2.gz MRCLRDMBNUKTDR-HUUCEWRRSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357935 928612492 /nfs/dbraw/zinc/61/24/92/928612492.db2.gz OCYKOEFTDKNLFM-ZDUSSCGKSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001252493136 928743127 /nfs/dbraw/zinc/74/31/27/928743127.db2.gz MWVHBQXKHQRSRY-MRXNPFEDSA-N 1 3 282.428 1.547 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114997787 937315368 /nfs/dbraw/zinc/31/53/68/937315368.db2.gz NLZDWTUTXNDGTG-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114997787 937315372 /nfs/dbraw/zinc/31/53/72/937315372.db2.gz NLZDWTUTXNDGTG-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000884214283 930485898 /nfs/dbraw/zinc/48/58/98/930485898.db2.gz XVYNIJGRIQWRMM-AWEZNQCLSA-N 1 3 281.444 1.763 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031229 930611304 /nfs/dbraw/zinc/61/13/04/930611304.db2.gz HPUZETQEPOBALV-VXGBXAGGSA-N 1 3 276.384 1.157 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032247 930611520 /nfs/dbraw/zinc/61/15/20/930611520.db2.gz YAYDOUOJKUPZEE-NWDGAFQWSA-N 1 3 278.400 1.710 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226646 937651060 /nfs/dbraw/zinc/65/10/60/937651060.db2.gz MBCBDUXNASJTLW-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226646 937651061 /nfs/dbraw/zinc/65/10/61/937651061.db2.gz MBCBDUXNASJTLW-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CCN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490856594 934555760 /nfs/dbraw/zinc/55/57/60/934555760.db2.gz GJVUOPRPRIDPNF-HNNXBMFYSA-N 1 3 277.412 1.076 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@H](C)C#N)[C@H](C)C1 ZINC000801943175 936017699 /nfs/dbraw/zinc/01/76/99/936017699.db2.gz MNWSLDXNQDHARJ-OAGGEKHMSA-N 1 3 297.443 1.642 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NCCO[C@H](C)C#N)[C@H](C)C1 ZINC000801943175 936017701 /nfs/dbraw/zinc/01/77/01/936017701.db2.gz MNWSLDXNQDHARJ-OAGGEKHMSA-N 1 3 297.443 1.642 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC001121997055 937897807 /nfs/dbraw/zinc/89/78/07/937897807.db2.gz PNXAZKOPTBJTOA-ZDUSSCGKSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC001121997055 937897808 /nfs/dbraw/zinc/89/78/08/937897808.db2.gz PNXAZKOPTBJTOA-ZDUSSCGKSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158750524 938659923 /nfs/dbraw/zinc/65/99/23/938659923.db2.gz LEQZCNFPHVTYGA-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158750524 938659926 /nfs/dbraw/zinc/65/99/26/938659926.db2.gz LEQZCNFPHVTYGA-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485043 939566860 /nfs/dbraw/zinc/56/68/60/939566860.db2.gz KLWAVTQQUHWXTF-HNNXBMFYSA-N 1 3 293.455 1.779 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485368 939567719 /nfs/dbraw/zinc/56/77/19/939567719.db2.gz TWRITBCTJNHVMA-OAHLLOKOSA-N 1 3 291.439 1.226 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010869 939590801 /nfs/dbraw/zinc/59/08/01/939590801.db2.gz SLEOFNRLVPRQRF-CQSZACIVSA-N 1 3 269.433 1.635 20 30 CDEDHO N#Cc1ccccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210506 939835773 /nfs/dbraw/zinc/83/57/73/939835773.db2.gz PCXTWEYCZROEFD-HNNXBMFYSA-N 1 3 259.353 1.234 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208448193 940331323 /nfs/dbraw/zinc/33/13/23/940331323.db2.gz WEPWHUCNRUEPPA-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C#Cc1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001220382270 941441921 /nfs/dbraw/zinc/44/19/21/941441921.db2.gz UFXHIMPRAVGYBW-INIZCTEOSA-N 1 3 297.402 1.158 20 30 CDEDHO C#Cc1ccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001220382270 941441923 /nfs/dbraw/zinc/44/19/23/941441923.db2.gz UFXHIMPRAVGYBW-INIZCTEOSA-N 1 3 297.402 1.158 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220796721 941473242 /nfs/dbraw/zinc/47/32/42/941473242.db2.gz AZVDMCAJPNGZMQ-ZDUSSCGKSA-N 1 3 291.370 1.674 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220796721 941473243 /nfs/dbraw/zinc/47/32/43/941473243.db2.gz AZVDMCAJPNGZMQ-ZDUSSCGKSA-N 1 3 291.370 1.674 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789001 941551202 /nfs/dbraw/zinc/55/12/02/941551202.db2.gz AWQNZUQZYODVFR-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225582270 941884832 /nfs/dbraw/zinc/88/48/32/941884832.db2.gz HDLLSMYHAAUHSV-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800612 942074008 /nfs/dbraw/zinc/07/40/08/942074008.db2.gz MVRCVMZZRRUFGQ-BZUAXINKSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001263105769 943747530 /nfs/dbraw/zinc/74/75/30/943747530.db2.gz XSVVGQSBIAFUNH-GFCCVEGCSA-N 1 3 253.390 1.176 20 30 CDEDHO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246581687 948309010 /nfs/dbraw/zinc/30/90/10/948309010.db2.gz UJJWHALEYIQIPB-FQXVJMBOSA-N 1 3 299.418 1.642 20 30 CDEDHO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246581687 948309017 /nfs/dbraw/zinc/30/90/17/948309017.db2.gz UJJWHALEYIQIPB-FQXVJMBOSA-N 1 3 299.418 1.642 20 30 CDEDHO CC[C@@H](CC#N)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246861340 948487987 /nfs/dbraw/zinc/48/79/87/948487987.db2.gz XTLXMEIDKWYPAU-SRTKAIALSA-N 1 3 291.395 1.009 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001340056708 962712494 /nfs/dbraw/zinc/71/24/94/962712494.db2.gz OPMFDBKISTXIDQ-KBPBESRZSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001340056708 962712509 /nfs/dbraw/zinc/71/25/09/962712509.db2.gz OPMFDBKISTXIDQ-KBPBESRZSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC001341632494 963490516 /nfs/dbraw/zinc/49/05/16/963490516.db2.gz VWMYFQQZZFXYTQ-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC001341632494 963490521 /nfs/dbraw/zinc/49/05/21/963490521.db2.gz VWMYFQQZZFXYTQ-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC001343423885 963978143 /nfs/dbraw/zinc/97/81/43/963978143.db2.gz NESAFSGRPOUNBG-ZDUSSCGKSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100383408 968183327 /nfs/dbraw/zinc/18/33/27/968183327.db2.gz ZUXIZIYEJJIPOE-GPANFISMSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001521439563 970298618 /nfs/dbraw/zinc/29/86/18/970298618.db2.gz SHTGMHXTHPLFKE-OAHLLOKOSA-N 1 3 279.428 1.661 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001406935921 976484227 /nfs/dbraw/zinc/48/42/27/976484227.db2.gz HXDGEMOBZYLCLA-GFCCVEGCSA-N 1 3 285.819 1.462 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001406935921 976484234 /nfs/dbraw/zinc/48/42/34/976484234.db2.gz HXDGEMOBZYLCLA-GFCCVEGCSA-N 1 3 285.819 1.462 20 30 CDEDHO C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000597992973 343683016 /nfs/dbraw/zinc/68/30/16/343683016.db2.gz QKLGNLPXRUZWHL-BBRMVZONSA-N 1 3 298.390 1.697 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592617 343838999 /nfs/dbraw/zinc/83/89/99/343838999.db2.gz KEYMRJNGJOLVFT-KFWWJZLASA-N 1 3 279.428 1.703 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592617 343839000 /nfs/dbraw/zinc/83/90/00/343839000.db2.gz KEYMRJNGJOLVFT-KFWWJZLASA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592617 343839002 /nfs/dbraw/zinc/83/90/02/343839002.db2.gz KEYMRJNGJOLVFT-KFWWJZLASA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592617 343839003 /nfs/dbraw/zinc/83/90/03/343839003.db2.gz KEYMRJNGJOLVFT-KFWWJZLASA-N 1 3 279.428 1.703 20 30 CDEDHO CC(C)[C@@H](C[NH+]=C(N(C)C)N(C)C)N1CCCC1 ZINC000072272427 356717684 /nfs/dbraw/zinc/71/76/84/356717684.db2.gz QQOJSFWCKUHTLZ-CYBMUJFWSA-N 1 3 254.422 1.586 20 30 CDEDHO CCN1CCN(CCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177684900 359187519 /nfs/dbraw/zinc/18/75/19/359187519.db2.gz LZHWTJVBYPBNMR-UHFFFAOYSA-N 1 3 292.452 1.737 20 30 CDEDHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(C#N)o3)C2)CC1 ZINC000369672724 374360581 /nfs/dbraw/zinc/36/05/81/374360581.db2.gz SAEOTCRZJZIKCN-ZDUSSCGKSA-N 1 3 288.395 1.409 20 30 CDEDHO CC(C)CNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000104171729 390485949 /nfs/dbraw/zinc/48/59/49/390485949.db2.gz UCTNTGVETGZKFM-UHFFFAOYSA-N 1 3 262.401 1.809 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236660721 390918077 /nfs/dbraw/zinc/91/80/77/390918077.db2.gz IINGRRPZFAMNTC-AWEZNQCLSA-N 1 3 277.412 1.143 20 30 CDEDHO C#CCN(C)CCCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000491466049 391139871 /nfs/dbraw/zinc/13/98/71/391139871.db2.gz YXGNAMVSKLWPAB-UHFFFAOYSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CCN(C)CCCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000491466049 391139872 /nfs/dbraw/zinc/13/98/72/391139872.db2.gz YXGNAMVSKLWPAB-UHFFFAOYSA-N 1 3 294.443 1.115 20 30 CDEDHO CC(C#N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360894200 391676048 /nfs/dbraw/zinc/67/60/48/391676048.db2.gz NETQRYAXKHUPRE-LBPRGKRZSA-N 1 3 267.373 1.105 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000519753913 391700391 /nfs/dbraw/zinc/70/03/91/391700391.db2.gz ZIAKMVYEIZHYLM-AWEZNQCLSA-N 1 3 294.443 1.326 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CN(C)C(C)C ZINC000660741406 413428986 /nfs/dbraw/zinc/42/89/86/413428986.db2.gz RBOZGYWFDGSPTP-MJBXVCDLSA-N 1 3 256.390 1.011 20 30 CDEDHO C[C@H](C[NH+]=C(N(C)C)N(C)C)N1CCC(C)CC1 ZINC000261975514 329993144 /nfs/dbraw/zinc/99/31/44/329993144.db2.gz FWVOTULYSMGPSM-CYBMUJFWSA-N 1 3 254.422 1.586 20 30 CDEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)C(C)(C)C ZINC000262334101 330006651 /nfs/dbraw/zinc/00/66/51/330006651.db2.gz WIFOWCKEROHBDW-STQMWFEESA-N 1 3 264.417 1.423 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](OC)C1(C)C ZINC000262774336 330030532 /nfs/dbraw/zinc/03/05/32/330030532.db2.gz HYJYHEUCFZFQAQ-UPJWGTAASA-N 1 3 282.432 1.189 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148056 330294846 /nfs/dbraw/zinc/29/48/46/330294846.db2.gz SZBSKDYCCUDKOB-GJZGRUSLSA-N 1 3 292.427 1.388 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424148056 330294847 /nfs/dbraw/zinc/29/48/47/330294847.db2.gz SZBSKDYCCUDKOB-GJZGRUSLSA-N 1 3 292.427 1.388 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148057 330294909 /nfs/dbraw/zinc/29/49/09/330294909.db2.gz SZBSKDYCCUDKOB-HUUCEWRRSA-N 1 3 292.427 1.388 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424148057 330294910 /nfs/dbraw/zinc/29/49/10/330294910.db2.gz SZBSKDYCCUDKOB-HUUCEWRRSA-N 1 3 292.427 1.388 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365699 613301654 /nfs/dbraw/zinc/30/16/54/613301654.db2.gz FASBVXXOAZDPJH-ZDUSSCGKSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974605727 613338150 /nfs/dbraw/zinc/33/81/50/613338150.db2.gz NHZISYHTVZLOAM-RBSFLKMASA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974605727 613338151 /nfs/dbraw/zinc/33/81/51/613338151.db2.gz NHZISYHTVZLOAM-RBSFLKMASA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)COC ZINC000903766887 626084595 /nfs/dbraw/zinc/08/45/95/626084595.db2.gz CMTDRLDASDDDKC-CABCVRRESA-N 1 3 282.428 1.668 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651680 629397356 /nfs/dbraw/zinc/39/73/56/629397356.db2.gz CJPBEASDNSNJIE-OLZOCXBDSA-N 1 3 255.406 1.624 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911655879 629401735 /nfs/dbraw/zinc/40/17/35/629401735.db2.gz KWIMNSYIWIXVCZ-KBPBESRZSA-N 1 3 269.433 1.885 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819293 629546849 /nfs/dbraw/zinc/54/68/49/629546849.db2.gz PHNMFWAQWXKLIE-KBPBESRZSA-N 1 3 267.417 1.694 20 30 CDEDHO CC(C)(C)NC(NC[C@@H]1CN2CCC[C@@H]2CO1)=[NH+]C1CC1 ZINC000912507109 630048891 /nfs/dbraw/zinc/04/88/91/630048891.db2.gz VBPLEWPODMUHMA-ZIAGYGMSSA-N 1 3 294.443 1.346 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773143 1164103832 /nfs/dbraw/zinc/10/38/32/1164103832.db2.gz LYEIGGVYNGTKNA-UONOGXRCSA-N 1 3 281.444 1.613 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114483940 1165327178 /nfs/dbraw/zinc/32/71/78/1165327178.db2.gz OLLNARYWBLMUBM-FICVDOATSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114483940 1165327182 /nfs/dbraw/zinc/32/71/82/1165327182.db2.gz OLLNARYWBLMUBM-FICVDOATSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001713097112 1178365243 /nfs/dbraw/zinc/36/52/43/1178365243.db2.gz MAQRJKBRNOLXLV-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753450233 1185213208 /nfs/dbraw/zinc/21/32/08/1185213208.db2.gz PVFXXSSYIFNYQK-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753450232 1185213775 /nfs/dbraw/zinc/21/37/75/1185213775.db2.gz PVFXXSSYIFNYQK-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001753487935 1185233133 /nfs/dbraw/zinc/23/31/33/1185233133.db2.gz MWZAHMITBMELPA-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001753683648 1185299289 /nfs/dbraw/zinc/29/92/89/1185299289.db2.gz OTSIYCCEIPXSPS-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001753742434 1185325505 /nfs/dbraw/zinc/32/55/05/1185325505.db2.gz SBKMKVYJGXUEBM-CVEARBPZSA-N 1 3 293.455 1.472 20 30 CDEDHO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001755518541 1185978164 /nfs/dbraw/zinc/97/81/64/1185978164.db2.gz QAGHAUSMSRSBPJ-CVEARBPZSA-N 1 3 293.455 1.757 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001020151199 812823834 /nfs/dbraw/zinc/82/38/34/812823834.db2.gz OVYCUIGIEFIDMC-HDJSIYSDSA-N 1 3 279.428 1.674 20 30 CDEDHO C=CC[NH2+]C1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001026561092 811329118 /nfs/dbraw/zinc/32/91/18/811329118.db2.gz OCGHVPHGOWNMOU-NFOMZHRRSA-N 1 3 279.428 1.674 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449528 811352581 /nfs/dbraw/zinc/35/25/81/811352581.db2.gz IPDVYJKDCYNVJA-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO C[C@@H]1CCC[C@](CNC2=[NH+]CCN2C)(N(C)C)C1 ZINC000261588688 811812162 /nfs/dbraw/zinc/81/21/62/811812162.db2.gz VVYIHYKGKFJPKZ-OCCSQVGLSA-N 1 3 252.406 1.388 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021088332 811835268 /nfs/dbraw/zinc/83/52/68/811835268.db2.gz NAHVPBJNQXNBQE-XUXIUFHCSA-N 1 3 299.846 1.849 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC(F)F ZINC000193284037 811882571 /nfs/dbraw/zinc/88/25/71/811882571.db2.gz ROCFOCVGEPLASI-JTQLQIEISA-N 1 3 278.347 1.004 20 30 CDEDHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218356 811882635 /nfs/dbraw/zinc/88/26/35/811882635.db2.gz TTXGIAHHKCACER-WBVHZDCISA-N 1 3 291.439 1.849 20 30 CDEDHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218356 811882636 /nfs/dbraw/zinc/88/26/36/811882636.db2.gz TTXGIAHHKCACER-WBVHZDCISA-N 1 3 291.439 1.849 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072813027 812115480 /nfs/dbraw/zinc/11/54/80/812115480.db2.gz CKNLXGHPSJYOFF-AWEZNQCLSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072813027 812115503 /nfs/dbraw/zinc/11/55/03/812115503.db2.gz CKNLXGHPSJYOFF-AWEZNQCLSA-N 1 3 277.412 1.047 20 30 CDEDHO C#CC[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050546253 812836836 /nfs/dbraw/zinc/83/68/36/812836836.db2.gz LLKNVVSBBVDDOQ-UHFFFAOYSA-N 1 3 289.423 1.028 20 30 CDEDHO COC[C@@H](C)NC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303773205 812841976 /nfs/dbraw/zinc/84/19/76/812841976.db2.gz FGKIDKLVUXTKRN-GFCCVEGCSA-N 1 3 270.421 1.190 20 30 CDEDHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000843992328 813053548 /nfs/dbraw/zinc/05/35/48/813053548.db2.gz QHKWIGULBIHUMO-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000843992328 813053558 /nfs/dbraw/zinc/05/35/58/813053558.db2.gz QHKWIGULBIHUMO-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000849045493 813191774 /nfs/dbraw/zinc/19/17/74/813191774.db2.gz KSLNWLPZTJWRBA-CVEARBPZSA-N 1 3 284.407 1.959 20 30 CDEDHO C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050668521 813837858 /nfs/dbraw/zinc/83/78/58/813837858.db2.gz UALSEHNDJIHRFQ-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000876723828 813879708 /nfs/dbraw/zinc/87/97/08/813879708.db2.gz XYTNQGXXNSRYML-XQQFMLRXSA-N 1 3 287.835 1.835 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000876723828 813879709 /nfs/dbraw/zinc/87/97/09/813879709.db2.gz XYTNQGXXNSRYML-XQQFMLRXSA-N 1 3 287.835 1.835 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000303263647 813883846 /nfs/dbraw/zinc/88/38/46/813883846.db2.gz RGNBVSWXWBRPNA-RWMBFGLXSA-N 1 3 254.422 1.810 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031919265 814023842 /nfs/dbraw/zinc/02/38/42/814023842.db2.gz QEYPJMBSECHZJY-MRXNPFEDSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001031919265 814023846 /nfs/dbraw/zinc/02/38/46/814023846.db2.gz QEYPJMBSECHZJY-MRXNPFEDSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001018999138 814403409 /nfs/dbraw/zinc/40/34/09/814403409.db2.gz HRCHNLLEVHIJMN-KBPBESRZSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985647946 814573754 /nfs/dbraw/zinc/57/37/54/814573754.db2.gz SBJIMHGGLLIMJJ-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985647946 814573757 /nfs/dbraw/zinc/57/37/57/814573757.db2.gz SBJIMHGGLLIMJJ-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892843 816826826 /nfs/dbraw/zinc/82/68/26/816826826.db2.gz FBBLRPRCCYVWMO-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892843 816826830 /nfs/dbraw/zinc/82/68/30/816826830.db2.gz FBBLRPRCCYVWMO-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027443376 816895056 /nfs/dbraw/zinc/89/50/56/816895056.db2.gz LDBDKXYUKDIUQT-CVEARBPZSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027443376 816895060 /nfs/dbraw/zinc/89/50/60/816895060.db2.gz LDBDKXYUKDIUQT-CVEARBPZSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019558730 817156943 /nfs/dbraw/zinc/15/69/43/817156943.db2.gz JEONCUVFOZQRMV-AWEZNQCLSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339793 817162492 /nfs/dbraw/zinc/16/24/92/817162492.db2.gz JVXAYOVGVMKCPF-HZPDHXFCSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038339793 817162509 /nfs/dbraw/zinc/16/25/09/817162509.db2.gz JVXAYOVGVMKCPF-HZPDHXFCSA-N 1 3 293.455 1.731 20 30 CDEDHO N#CC1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925653625 817312112 /nfs/dbraw/zinc/31/21/12/817312112.db2.gz IKHAZNZCAWCQHT-SEEQJVSKSA-N 1 3 259.397 1.902 20 30 CDEDHO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000923381593 817556167 /nfs/dbraw/zinc/55/61/67/817556167.db2.gz JPYJCGUBCADPRF-NUEKZKHPSA-N 1 3 289.379 1.157 20 30 CDEDHO C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001032206270 817755239 /nfs/dbraw/zinc/75/52/39/817755239.db2.gz WNFCLAQVVNFAFT-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073019006 817807397 /nfs/dbraw/zinc/80/73/97/817807397.db2.gz QSUVCCXEHISNJU-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073019006 817807399 /nfs/dbraw/zinc/80/73/99/817807399.db2.gz QSUVCCXEHISNJU-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100127 817879080 /nfs/dbraw/zinc/87/90/80/817879080.db2.gz YPCBHAXJZPMQNJ-AALSBFMBSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100127 817879084 /nfs/dbraw/zinc/87/90/84/817879084.db2.gz YPCBHAXJZPMQNJ-AALSBFMBSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106283173 913783951 /nfs/dbraw/zinc/78/39/51/913783951.db2.gz NWOPZJZBRGNQKH-KFWWJZLASA-N 1 3 281.444 1.443 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020589731 894374325 /nfs/dbraw/zinc/37/43/25/894374325.db2.gz APYPPARTUZCILN-XEZPLFJOSA-N 1 3 295.402 1.069 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176352134 914085657 /nfs/dbraw/zinc/08/56/57/914085657.db2.gz ZQQRSSVYEDFGDJ-GFCCVEGCSA-N 1 3 278.400 1.711 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001023125471 897389200 /nfs/dbraw/zinc/38/92/00/897389200.db2.gz RIXDFDLQKVBQAE-NMWPEEMBSA-N 1 3 279.428 1.672 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679621 898876644 /nfs/dbraw/zinc/87/66/44/898876644.db2.gz LOXGNIORKGSIRC-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C[C@H](CNC(=[NH2+])NCC1CCC1)N1CCCC[C@@H]1C ZINC000261964236 904621600 /nfs/dbraw/zinc/62/16/00/904621600.db2.gz AOUTZNQXBHBODM-QWHCGFSZSA-N 1 3 266.433 1.954 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956484 921240760 /nfs/dbraw/zinc/24/07/60/921240760.db2.gz LRJDKNCRVQOZPA-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+]1CCCCC1 ZINC000691601323 915684725 /nfs/dbraw/zinc/68/47/25/915684725.db2.gz LILFJDAKQWSGAJ-KBPBESRZSA-N 1 3 280.416 1.388 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131593 916148976 /nfs/dbraw/zinc/14/89/76/916148976.db2.gz HQKHOKOQVMMRPI-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653066 917246181 /nfs/dbraw/zinc/24/61/81/917246181.db2.gz VBRPNTDMNOKBMC-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182614814 918021223 /nfs/dbraw/zinc/02/12/23/918021223.db2.gz SAIWEKVMWBPMGG-ZMSDIMECSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(C[NH+]1CCCC1)C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001183091958 918284611 /nfs/dbraw/zinc/28/46/11/918284611.db2.gz RJASBGDLCBKSAM-HNNXBMFYSA-N 1 3 265.401 1.239 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650843 919691287 /nfs/dbraw/zinc/69/12/87/919691287.db2.gz PASKUBDMHOFKLE-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554346 920072267 /nfs/dbraw/zinc/07/22/67/920072267.db2.gz BVJBFBZBAGDZCR-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH+]1CCC(C2(NC(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001486488887 921062578 /nfs/dbraw/zinc/06/25/78/921062578.db2.gz ROJYDESLFDJUIE-OAHLLOKOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192398980 923074682 /nfs/dbraw/zinc/07/46/82/923074682.db2.gz UAUMZVMOGAUYRT-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192398980 923074697 /nfs/dbraw/zinc/07/46/97/923074697.db2.gz UAUMZVMOGAUYRT-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001036193092 923115692 /nfs/dbraw/zinc/11/56/92/923115692.db2.gz KLRAGGHJSOUUGI-OCCSQVGLSA-N 1 3 276.384 1.355 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000838622729 936884528 /nfs/dbraw/zinc/88/45/28/936884528.db2.gz KDWCJNGVFVBLLD-HNNXBMFYSA-N 1 3 294.443 1.114 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285403 924159989 /nfs/dbraw/zinc/15/99/89/924159989.db2.gz QVJFHFSCVFQPTD-CYBMUJFWSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285403 924159994 /nfs/dbraw/zinc/15/99/94/924159994.db2.gz QVJFHFSCVFQPTD-CYBMUJFWSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295472 924166636 /nfs/dbraw/zinc/16/66/36/924166636.db2.gz QBABRQORFFGSGY-OAHLLOKOSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295472 924166642 /nfs/dbraw/zinc/16/66/42/924166642.db2.gz QBABRQORFFGSGY-OAHLLOKOSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419673 924213042 /nfs/dbraw/zinc/21/30/42/924213042.db2.gz JYWVDXXMVQWREW-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C#CCC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245880 924794693 /nfs/dbraw/zinc/79/46/93/924794693.db2.gz NYDDMSHHYBGRPZ-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370203 937054402 /nfs/dbraw/zinc/05/44/02/937054402.db2.gz UKFDOBKTHSPDBB-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370203 937054405 /nfs/dbraw/zinc/05/44/05/937054405.db2.gz UKFDOBKTHSPDBB-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597832 926199753 /nfs/dbraw/zinc/19/97/53/926199753.db2.gz GYKIGEWKLDXZBQ-CVEARBPZSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086478741 927185736 /nfs/dbraw/zinc/18/57/36/927185736.db2.gz YPWWUTNRFFEKMT-PYJNHQTQSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086478741 927185740 /nfs/dbraw/zinc/18/57/40/927185740.db2.gz YPWWUTNRFFEKMT-PYJNHQTQSA-N 1 3 299.846 1.421 20 30 CDEDHO N#Cc1cc(Cl)nc(C(F)(F)N[C@H](N)CCC[NH3+])c1 ZINC001159784678 930848067 /nfs/dbraw/zinc/84/80/67/930848067.db2.gz KSLKPJNXMQIENM-JTQLQIEISA-N 1 3 289.717 1.269 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153824838 937474655 /nfs/dbraw/zinc/47/46/55/937474655.db2.gz YZCBZQCMOKNOCZ-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153824838 937474656 /nfs/dbraw/zinc/47/46/56/937474656.db2.gz YZCBZQCMOKNOCZ-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[N@@H+](CCCN1CCN(C(C)C)CC1)CC1CC1 ZINC001116928005 937481203 /nfs/dbraw/zinc/48/12/03/937481203.db2.gz HKHAZKCIOYQUBA-UHFFFAOYSA-N 1 3 277.456 1.748 20 30 CDEDHO C#CC[N@H+](CCCN1CCN(C(C)C)CC1)CC1CC1 ZINC001116928005 937481206 /nfs/dbraw/zinc/48/12/06/937481206.db2.gz HKHAZKCIOYQUBA-UHFFFAOYSA-N 1 3 277.456 1.748 20 30 CDEDHO C=CCCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001274974011 931621969 /nfs/dbraw/zinc/62/19/69/931621969.db2.gz BMNAGWMYAXDXJM-UHFFFAOYSA-N 1 3 251.418 1.664 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C)CC1 ZINC001146571080 932267181 /nfs/dbraw/zinc/26/71/81/932267181.db2.gz KRFQXRRNNFEYFL-LSDHHAIUSA-N 1 3 291.439 1.391 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146599335 932270847 /nfs/dbraw/zinc/27/08/47/932270847.db2.gz AXGYEFZCRAVINM-KBPBESRZSA-N 1 3 267.417 1.223 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091734984 932744570 /nfs/dbraw/zinc/74/45/70/932744570.db2.gz FBSUOANQVYDBEH-ZBFHGGJFSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091734984 932744576 /nfs/dbraw/zinc/74/45/76/932744576.db2.gz FBSUOANQVYDBEH-ZBFHGGJFSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148647501 932759291 /nfs/dbraw/zinc/75/92/91/932759291.db2.gz ZRUBVASMRRSQGA-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148647501 932759296 /nfs/dbraw/zinc/75/92/96/932759296.db2.gz ZRUBVASMRRSQGA-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148652131 932761393 /nfs/dbraw/zinc/76/13/93/932761393.db2.gz VVASEUXPBJOUSS-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148652131 932761395 /nfs/dbraw/zinc/76/13/95/932761395.db2.gz VVASEUXPBJOUSS-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120045955 937776488 /nfs/dbraw/zinc/77/64/88/937776488.db2.gz KAMWYVIZIIWIDJ-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001009634971 935429090 /nfs/dbraw/zinc/42/90/90/935429090.db2.gz KHMHGGFWHIWPSW-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001009634971 935429091 /nfs/dbraw/zinc/42/90/91/935429091.db2.gz KHMHGGFWHIWPSW-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122107034 937906063 /nfs/dbraw/zinc/90/60/63/937906063.db2.gz XHGYZKIAIFRQCK-UHFFFAOYSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001122128046 937907217 /nfs/dbraw/zinc/90/72/17/937907217.db2.gz ZOHYASRUCGQJMV-YDHLFZDLSA-N 1 3 265.401 1.257 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889338 938838125 /nfs/dbraw/zinc/83/81/25/938838125.db2.gz IYKDMHHONHBEDA-CYBMUJFWSA-N 1 3 255.406 1.389 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161529794 938908831 /nfs/dbraw/zinc/90/88/31/938908831.db2.gz HUEZHIYKSQXSCK-AGIUHOORSA-N 1 3 253.390 1.398 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203650978 939699739 /nfs/dbraw/zinc/69/97/39/939699739.db2.gz KRTASPXGZVVAKQ-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209632977 940620349 /nfs/dbraw/zinc/62/03/49/940620349.db2.gz QNAPSSDQAZAOOC-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210782735 940712068 /nfs/dbraw/zinc/71/20/68/940712068.db2.gz ORJWNLBEGICRGR-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO CN1CCCC[C@H]1CO[C@H](CC#N)C[N+](C)(C)C ZINC001224703184 941784409 /nfs/dbraw/zinc/78/44/09/941784409.db2.gz QYQMGJWKGINNRK-UONOGXRCSA-N 1 3 254.398 1.476 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001316620226 942712331 /nfs/dbraw/zinc/71/23/31/942712331.db2.gz HAIZEXZISGNWSM-HZSPNIEDSA-N 1 3 267.417 1.243 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001263103387 943745371 /nfs/dbraw/zinc/74/53/71/943745371.db2.gz XPWSCPDYGRFFQW-UBHSHLNASA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001263103387 943745375 /nfs/dbraw/zinc/74/53/75/943745375.db2.gz XPWSCPDYGRFFQW-UBHSHLNASA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001263103387 943745378 /nfs/dbraw/zinc/74/53/78/943745378.db2.gz XPWSCPDYGRFFQW-UBHSHLNASA-N 1 3 265.401 1.269 20 30 CDEDHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)CN(C)C ZINC001262565837 946715476 /nfs/dbraw/zinc/71/54/76/946715476.db2.gz XFMCZQKAXBGAHU-ZDUSSCGKSA-N 1 3 288.395 1.674 20 30 CDEDHO C[C@@H](CNCCC(=O)Nc1cccc(C#N)c1)C[NH+](C)C ZINC001262565837 946715479 /nfs/dbraw/zinc/71/54/79/946715479.db2.gz XFMCZQKAXBGAHU-ZDUSSCGKSA-N 1 3 288.395 1.674 20 30 CDEDHO C#CCCCCCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164307 947316554 /nfs/dbraw/zinc/31/65/54/947316554.db2.gz KBQUYYZMMQNCQW-UHFFFAOYSA-N 1 3 291.443 1.733 20 30 CDEDHO CCCCCCCC[C@@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246012599 947891697 /nfs/dbraw/zinc/89/16/97/947891697.db2.gz BJXBSBYPNKQBFU-HUUCEWRRSA-N 1 3 271.449 1.249 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC001252494540 951367370 /nfs/dbraw/zinc/36/73/70/951367370.db2.gz YYYMKRVMMBPTFT-OAHLLOKOSA-N 1 3 270.417 1.260 20 30 CDEDHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001335395504 959769514 /nfs/dbraw/zinc/76/95/14/959769514.db2.gz VGRRRYMUIOBEPO-STQMWFEESA-N 1 3 253.390 1.219 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001340218083 962822935 /nfs/dbraw/zinc/82/29/35/962822935.db2.gz KCXULMGMYVKBPP-OAHLLOKOSA-N 1 3 291.439 1.533 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC001341453090 963422308 /nfs/dbraw/zinc/42/23/08/963422308.db2.gz VXSAOFSGSFWDPO-CHWSQXEVSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001341764855 963533198 /nfs/dbraw/zinc/53/31/98/963533198.db2.gz KSDXHIWVKLXGGV-XQHKEYJVSA-N 1 3 253.390 1.267 20 30 CDEDHO CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC001341942777 963586300 /nfs/dbraw/zinc/58/63/00/963586300.db2.gz IRYDGDKRAFKFQP-UONOGXRCSA-N 1 3 285.432 1.169 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001343085100 963904156 /nfs/dbraw/zinc/90/41/56/963904156.db2.gz KRMJZFKVKMUXRD-STQMWFEESA-N 1 3 253.390 1.318 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001377008769 974851014 /nfs/dbraw/zinc/85/10/14/974851014.db2.gz CUFIFKKWISDADE-VXGBXAGGSA-N 1 3 273.808 1.318 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001380156988 976271196 /nfs/dbraw/zinc/27/11/96/976271196.db2.gz OHJHNOURQQVFQL-UHFFFAOYSA-N 1 3 299.846 1.802 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001391940819 977156707 /nfs/dbraw/zinc/15/67/07/977156707.db2.gz VUASKWQXJXSKHH-NEPJUHHUSA-N 1 3 287.835 1.423 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001574851583 1171023237 /nfs/dbraw/zinc/02/32/37/1171023237.db2.gz HWHISEHIMXLCNK-HBNTYKKESA-N 1 3 273.808 1.301 20 30 CDEDHO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000600734158 349877774 /nfs/dbraw/zinc/87/77/74/349877774.db2.gz FFMMAPGUYSPPBJ-WBVHZDCISA-N 1 3 285.391 1.592 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+]CCCCN1CCN(C)CC1 ZINC000602512483 344459392 /nfs/dbraw/zinc/45/93/92/344459392.db2.gz UJPDVVQBBGVHIE-HNNXBMFYSA-N 1 3 266.433 1.543 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447561952 362457701 /nfs/dbraw/zinc/45/77/01/362457701.db2.gz JZJIXAZETRVMJO-ILXRZTDVSA-N 1 3 292.427 1.246 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447561952 362457704 /nfs/dbraw/zinc/45/77/04/362457704.db2.gz JZJIXAZETRVMJO-ILXRZTDVSA-N 1 3 292.427 1.246 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(F)c1 ZINC000264122972 362973192 /nfs/dbraw/zinc/97/31/92/362973192.db2.gz RKMCVGRQWVPCGP-HNNXBMFYSA-N 1 3 292.402 1.757 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417524237 377846438 /nfs/dbraw/zinc/84/64/38/377846438.db2.gz JSBWUBICWBHEDR-AWEZNQCLSA-N 1 3 280.416 1.030 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000417543433 377929819 /nfs/dbraw/zinc/92/98/19/377929819.db2.gz UQCYMVWNHDVIJZ-AWEZNQCLSA-N 1 3 280.416 1.030 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417543966 377931503 /nfs/dbraw/zinc/93/15/03/377931503.db2.gz VLYDEGHDYISJSP-HIFRSBDPSA-N 1 3 294.443 1.454 20 30 CDEDHO C#Cc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000290456650 378395801 /nfs/dbraw/zinc/39/58/01/378395801.db2.gz TWKUBRSQXVTSQS-UHFFFAOYSA-N 1 3 258.365 1.214 20 30 CDEDHO C=C(C)COCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909449 391255755 /nfs/dbraw/zinc/25/57/55/391255755.db2.gz PATKJALGEQDRBS-UHFFFAOYSA-N 1 3 270.417 1.404 20 30 CDEDHO C[NH+]=C(NCc1cccn1C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261966499 391743778 /nfs/dbraw/zinc/74/37/78/391743778.db2.gz LOLDSJXSLNCQOO-ZFWWWQNUSA-N 1 3 291.443 1.419 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1C ZINC000267395168 328177848 /nfs/dbraw/zinc/17/78/48/328177848.db2.gz DWDZDRFZZVFWAG-ZDUSSCGKSA-N 1 3 275.400 1.279 20 30 CDEDHO C=CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159333560 327174219 /nfs/dbraw/zinc/17/42/19/327174219.db2.gz UJECBNSREGYIEL-UHFFFAOYSA-N 1 3 293.455 1.877 20 30 CDEDHO C=CCn1cccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579187557 335719284 /nfs/dbraw/zinc/71/92/84/335719284.db2.gz XOSLOXIXCAXKIY-UHFFFAOYSA-N 1 3 292.427 1.240 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001087908714 1160284670 /nfs/dbraw/zinc/28/46/70/1160284670.db2.gz LFOAXKJRKUULHT-QLFBSQMISA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001087908714 1160284673 /nfs/dbraw/zinc/28/46/73/1160284673.db2.gz LFOAXKJRKUULHT-QLFBSQMISA-N 1 3 277.412 1.047 20 30 CDEDHO C[N@@H+]1CC[C@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000225269859 1160390247 /nfs/dbraw/zinc/39/02/47/1160390247.db2.gz MYZATIQOBWXTMO-UKRRQHHQSA-N 1 3 259.353 1.133 20 30 CDEDHO C[N@H+]1CC[C@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000225269859 1160390255 /nfs/dbraw/zinc/39/02/55/1160390255.db2.gz MYZATIQOBWXTMO-UKRRQHHQSA-N 1 3 259.353 1.133 20 30 CDEDHO C#CCN(CCC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753144993 1185084110 /nfs/dbraw/zinc/08/41/10/1185084110.db2.gz QGFNTEIAQSTYDJ-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CCN(CCC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753144993 1185084114 /nfs/dbraw/zinc/08/41/14/1185084114.db2.gz QGFNTEIAQSTYDJ-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C=CCOCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000354859477 526689012 /nfs/dbraw/zinc/68/90/12/526689012.db2.gz ZGOXOSGEFVEDHR-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCOCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000354859477 526689013 /nfs/dbraw/zinc/68/90/13/526689013.db2.gz ZGOXOSGEFVEDHR-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018645 613305537 /nfs/dbraw/zinc/30/55/37/613305537.db2.gz HJGGNSBQFVXRIO-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018645 613305539 /nfs/dbraw/zinc/30/55/39/613305539.db2.gz HJGGNSBQFVXRIO-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000981283428 613495881 /nfs/dbraw/zinc/49/58/81/613495881.db2.gz WASFDRHSQJNOHR-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000981283428 613495884 /nfs/dbraw/zinc/49/58/84/613495884.db2.gz WASFDRHSQJNOHR-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000981283428 613495886 /nfs/dbraw/zinc/49/58/86/613495886.db2.gz WASFDRHSQJNOHR-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000981283428 613495890 /nfs/dbraw/zinc/49/58/90/613495890.db2.gz WASFDRHSQJNOHR-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567659 613618191 /nfs/dbraw/zinc/61/81/91/613618191.db2.gz UCVQSXHAZPHNPZ-QLFBSQMISA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971567659 613618192 /nfs/dbraw/zinc/61/81/92/613618192.db2.gz UCVQSXHAZPHNPZ-QLFBSQMISA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972335085 613627940 /nfs/dbraw/zinc/62/79/40/613627940.db2.gz MTOOOIRTVMDXCH-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972335085 613627942 /nfs/dbraw/zinc/62/79/42/613627942.db2.gz MTOOOIRTVMDXCH-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678499 613633149 /nfs/dbraw/zinc/63/31/49/613633149.db2.gz NAIJJWBPYIGSKO-KBPBESRZSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678499 613633153 /nfs/dbraw/zinc/63/31/53/613633153.db2.gz NAIJJWBPYIGSKO-KBPBESRZSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948241169 613704505 /nfs/dbraw/zinc/70/45/05/613704505.db2.gz KSPFLEGJIVBXKK-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948241169 613704509 /nfs/dbraw/zinc/70/45/09/613704509.db2.gz KSPFLEGJIVBXKK-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911755012 629473636 /nfs/dbraw/zinc/47/36/36/629473636.db2.gz XBPGTIXKGZPYKP-YPMHNXCESA-N 1 3 253.390 1.256 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232808 1158546107 /nfs/dbraw/zinc/54/61/07/1158546107.db2.gz QSFAVSDWDHEROG-AWEZNQCLSA-N 1 3 279.428 1.390 20 30 CDEDHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001754284098 1159073793 /nfs/dbraw/zinc/07/37/93/1159073793.db2.gz ZDDKCAAUHUXBKC-BBRMVZONSA-N 1 3 299.434 1.869 20 30 CDEDHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001754246336 1159000716 /nfs/dbraw/zinc/00/07/16/1159000716.db2.gz ZDDKCAAUHUXBKC-CZUORRHYSA-N 1 3 299.434 1.869 20 30 CDEDHO CC#CCNCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131801444 1163058111 /nfs/dbraw/zinc/05/81/11/1163058111.db2.gz GJKSNBAFKPBVCF-UHFFFAOYSA-N 1 3 287.407 1.133 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750222 1163519690 /nfs/dbraw/zinc/51/96/90/1163519690.db2.gz GBZCRRREGOZNSL-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135579 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ZINC001032206269 819878569 /nfs/dbraw/zinc/87/85/69/819878569.db2.gz WNFCLAQVVNFAFT-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]C1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001026561093 820662581 /nfs/dbraw/zinc/66/25/81/820662581.db2.gz OCGHVPHGOWNMOU-WLYUNCDWSA-N 1 3 279.428 1.674 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863000 820838281 /nfs/dbraw/zinc/83/82/81/820838281.db2.gz CTTDALAZULVOHP-XHSDSOJGSA-N 1 3 291.439 1.293 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863000 820838282 /nfs/dbraw/zinc/83/82/82/820838282.db2.gz CTTDALAZULVOHP-XHSDSOJGSA-N 1 3 291.439 1.293 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526021 820838804 /nfs/dbraw/zinc/83/88/04/820838804.db2.gz RUDPOAMUFZRHOF-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526021 820838805 /nfs/dbraw/zinc/83/88/05/820838805.db2.gz RUDPOAMUFZRHOF-HUUCEWRRSA-N 1 3 279.428 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/nfs/dbraw/zinc/99/37/85/821993785.db2.gz YCTDXPPGJYZGEA-UHFFFAOYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987552060 822162421 /nfs/dbraw/zinc/16/24/21/822162421.db2.gz QFNIWRGSJRIHBS-PBHICJAKSA-N 1 3 299.418 1.574 20 30 CDEDHO CN(C)CC[NH+](CCN(C)C)C1CCC(CC#N)CC1 ZINC001173338690 912436012 /nfs/dbraw/zinc/43/60/12/912436012.db2.gz GXJWIOVTTIAVDV-UHFFFAOYSA-N 1 3 280.460 1.884 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224942 894903111 /nfs/dbraw/zinc/90/31/11/894903111.db2.gz OSSUFMIADSCHME-OAHLLOKOSA-N 1 3 293.455 1.923 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267067090 896675262 /nfs/dbraw/zinc/67/52/62/896675262.db2.gz NGIXNRFCZLBLJO-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CCC[NH+]1CCCC1 ZINC001176879842 914332670 /nfs/dbraw/zinc/33/26/70/914332670.db2.gz LNFARBAGJPZCSC-UHFFFAOYSA-N 1 3 287.835 1.711 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC 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C=CCOCCN(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045927 922893949 /nfs/dbraw/zinc/89/39/49/922893949.db2.gz ISWHSSHRHIJEER-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601076 923832955 /nfs/dbraw/zinc/83/29/55/923832955.db2.gz RQCBOYIBZASIIS-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601076 923832959 /nfs/dbraw/zinc/83/29/59/923832959.db2.gz RQCBOYIBZASIIS-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001196342198 924876024 /nfs/dbraw/zinc/87/60/24/924876024.db2.gz ZJUIJCWWKZXTSR-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001196342198 924876034 /nfs/dbraw/zinc/87/60/34/924876034.db2.gz ZJUIJCWWKZXTSR-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCCN1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196342198 924876040 /nfs/dbraw/zinc/87/60/40/924876040.db2.gz ZJUIJCWWKZXTSR-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCCN1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196342198 924876045 /nfs/dbraw/zinc/87/60/45/924876045.db2.gz ZJUIJCWWKZXTSR-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400083 936971013 /nfs/dbraw/zinc/97/10/13/936971013.db2.gz FYWLDJQZAVYCIF-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400083 936971015 /nfs/dbraw/zinc/97/10/15/936971015.db2.gz FYWLDJQZAVYCIF-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368259 937054652 /nfs/dbraw/zinc/05/46/52/937054652.db2.gz NDNVCPKFEIMKEH-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368259 937054654 /nfs/dbraw/zinc/05/46/54/937054654.db2.gz NDNVCPKFEIMKEH-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102381928 937056270 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30 CDEDHO C=C[C@](C)(O)C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001252557316 929240062 /nfs/dbraw/zinc/24/00/62/929240062.db2.gz ITQFRFLPEPUKRJ-HNNXBMFYSA-N 1 3 270.392 1.822 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584961 929799084 /nfs/dbraw/zinc/79/90/84/929799084.db2.gz YHLKQWVKMLADAF-KGLIPLIRSA-N 1 3 279.428 1.367 20 30 CDEDHO COc1cc(CCC#N)c(N[C@@H](N)CCC[NH3+])cc1OC ZINC001170898550 930696655 /nfs/dbraw/zinc/69/66/55/930696655.db2.gz DNPXLQQJAKSIIC-OAHLLOKOSA-N 1 3 292.383 1.596 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153728654 937464332 /nfs/dbraw/zinc/46/43/32/937464332.db2.gz PTZCPYOLMZTBTR-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153728654 937464334 /nfs/dbraw/zinc/46/43/34/937464334.db2.gz PTZCPYOLMZTBTR-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C#Cc1cccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001276097070 932524835 /nfs/dbraw/zinc/52/48/35/932524835.db2.gz RBJQKZKTDONSIL-UHFFFAOYSA-N 1 3 297.446 1.737 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148845189 932796563 /nfs/dbraw/zinc/79/65/63/932796563.db2.gz XQKVKFSLDXSCBB-UHFFFAOYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148845189 932796566 /nfs/dbraw/zinc/79/65/66/932796566.db2.gz XQKVKFSLDXSCBB-UHFFFAOYSA-N 1 3 279.428 1.437 20 30 CDEDHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001155791864 937674474 /nfs/dbraw/zinc/67/44/74/937674474.db2.gz ZDUOPRZPNIUYHN-QGZVFWFLSA-N 1 3 299.418 1.228 20 30 CDEDHO N#Cc1ccc([C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904434 934834027 /nfs/dbraw/zinc/83/40/27/934834027.db2.gz KODSIHCAMZMQOU-WMLDXEAASA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037904434 934834033 /nfs/dbraw/zinc/83/40/33/934834033.db2.gz KODSIHCAMZMQOU-WMLDXEAASA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037904434 934834037 /nfs/dbraw/zinc/83/40/37/934834037.db2.gz KODSIHCAMZMQOU-WMLDXEAASA-N 1 3 285.391 1.666 20 30 CDEDHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N(C)C ZINC001120580489 937813439 /nfs/dbraw/zinc/81/34/39/937813439.db2.gz AYGUQNXAQNZWQC-UKRRQHHQSA-N 1 3 291.395 1.228 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832126 935003318 /nfs/dbraw/zinc/00/33/18/935003318.db2.gz LULPKFIVHSVFDX-AIANPOQGSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832126 935003323 /nfs/dbraw/zinc/00/33/23/935003323.db2.gz LULPKFIVHSVFDX-AIANPOQGSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001037859142 935303456 /nfs/dbraw/zinc/30/34/56/935303456.db2.gz IBTDKZCVEJOOIZ-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001121325465 937867088 /nfs/dbraw/zinc/86/70/88/937867088.db2.gz FDRGQSSIYWJZAJ-UHFFFAOYSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC001121975968 937896299 /nfs/dbraw/zinc/89/62/99/937896299.db2.gz YNDZQZDPIVAHJG-CYBMUJFWSA-N 1 3 253.390 1.271 20 30 CDEDHO C[C@@H](N)c1ccn(-c2ncc3c(c2C#N)CCC[NH2+]C3)n1 ZINC001158344476 938610886 /nfs/dbraw/zinc/61/08/86/938610886.db2.gz CZVRVTMMZCKZOO-SNVBAGLBSA-N 1 3 282.351 1.194 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437739 938626249 /nfs/dbraw/zinc/62/62/49/938626249.db2.gz AJOOEYXMWPWUCC-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915219 938760190 /nfs/dbraw/zinc/76/01/90/938760190.db2.gz HQVNIDJMPNBNKT-LBPRGKRZSA-N 1 3 273.808 1.175 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421941 938786138 /nfs/dbraw/zinc/78/61/38/938786138.db2.gz YGHBMUJWCVJCIY-LBPRGKRZSA-N 1 3 275.824 1.421 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206680015 939166045 /nfs/dbraw/zinc/16/60/45/939166045.db2.gz YKZKFIIWLRSVEF-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642972 940622072 /nfs/dbraw/zinc/62/20/72/940622072.db2.gz QUZWPGDIVDWBID-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210220787 940672433 /nfs/dbraw/zinc/67/24/33/940672433.db2.gz WTLGZGJOWRQEIL-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO COc1cc(N=C(NO)c2ccccc2N)c(OC)cn1 ZINC001210312640 940682636 /nfs/dbraw/zinc/68/26/36/940682636.db2.gz IMXALWYRBYDZEF-UHFFFAOYSA-N 1 3 288.307 1.738 20 30 CDEDHO COc1cc([NH+]=C(NO)c2ccccc2N)c(OC)cn1 ZINC001210312640 940682637 /nfs/dbraw/zinc/68/26/37/940682637.db2.gz IMXALWYRBYDZEF-UHFFFAOYSA-N 1 3 288.307 1.738 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211258176 940742082 /nfs/dbraw/zinc/74/20/82/940742082.db2.gz ZPBKTLCWNRCWKF-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214862933 940842532 /nfs/dbraw/zinc/84/25/32/940842532.db2.gz AFUCYVPZEYKJPG-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CC[NH2+]C1 ZINC001218552638 941235880 /nfs/dbraw/zinc/23/58/80/941235880.db2.gz JUBWDPWUOOCFQA-AWEZNQCLSA-N 1 3 290.392 1.204 20 30 CDEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001219112666 941309885 /nfs/dbraw/zinc/30/98/85/941309885.db2.gz PZORDUHHQARAFN-LLVKDONJSA-N 1 3 264.304 1.011 20 30 CDEDHO C=CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001280505044 942455279 /nfs/dbraw/zinc/45/52/79/942455279.db2.gz ATVQGLJOLYAEBP-ZDUSSCGKSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229939462 942554500 /nfs/dbraw/zinc/55/45/00/942554500.db2.gz BAWWCXFESOWOFB-ZIAGYGMSSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC001263103386 943745743 /nfs/dbraw/zinc/74/57/43/943745743.db2.gz XPWSCPDYGRFFQW-KWCYVHTRSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001263103386 943745748 /nfs/dbraw/zinc/74/57/48/943745748.db2.gz XPWSCPDYGRFFQW-KWCYVHTRSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001263103386 943745754 /nfs/dbraw/zinc/74/57/54/943745754.db2.gz XPWSCPDYGRFFQW-KWCYVHTRSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCCCCC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246007226 947889264 /nfs/dbraw/zinc/88/92/64/947889264.db2.gz JGGVFPMZCOZITI-GJZGRUSLSA-N 1 3 299.459 1.446 20 30 CDEDHO C=CCOC[C@]12CCCO[C@H]1CCN(C1CC[NH2+]CC1)C2 ZINC001246724649 948420285 /nfs/dbraw/zinc/42/02/85/948420285.db2.gz WEMNOBWZNCWDFD-DLBZAZTESA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCNCC1)C2 ZINC001246724649 948420289 /nfs/dbraw/zinc/42/02/89/948420289.db2.gz WEMNOBWZNCWDFD-DLBZAZTESA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCNCC1)C2 ZINC001246724649 948420293 /nfs/dbraw/zinc/42/02/93/948420293.db2.gz WEMNOBWZNCWDFD-DLBZAZTESA-N 1 3 294.439 1.812 20 30 CDEDHO C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859365 948485360 /nfs/dbraw/zinc/48/53/60/948485360.db2.gz KQDQPAOZGDSWBV-AJSFGMTHSA-N 1 3 285.391 1.395 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001328203912 955223829 /nfs/dbraw/zinc/22/38/29/955223829.db2.gz KYZZTXBMBHGTRV-GJZGRUSLSA-N 1 3 294.443 1.114 20 30 CDEDHO C=C[C@@H](COC)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329941204 956191668 /nfs/dbraw/zinc/19/16/68/956191668.db2.gz NTSVEQPWNYNWMM-JSGCOSHPSA-N 1 3 254.374 1.030 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC001340556429 963004620 /nfs/dbraw/zinc/00/46/20/963004620.db2.gz HSOXPRYKLQJWST-CYBMUJFWSA-N 1 3 253.390 1.257 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100423402 968301712 /nfs/dbraw/zinc/30/17/12/968301712.db2.gz HAIZEXZISGNWSM-RUXDESIVSA-N 1 3 267.417 1.243 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)Nc1ccccc1CN(C)C ZINC000848151858 968771634 /nfs/dbraw/zinc/77/16/34/968771634.db2.gz CWVSURBIVQUOHB-UHFFFAOYSA-N 1 3 261.369 1.805 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266765 1163220765 /nfs/dbraw/zinc/22/07/65/1163220765.db2.gz ZWAJZYSWAPWCAM-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181564 1163598023 /nfs/dbraw/zinc/59/80/23/1163598023.db2.gz CYRCKXJEDAFOAY-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594438589 342906214 /nfs/dbraw/zinc/90/62/14/342906214.db2.gz KLLQTGCFDLDPPO-CABCVRRESA-N 1 3 294.443 1.588 20 30 CDEDHO C#C[C@@H](CCC)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000491640679 347585478 /nfs/dbraw/zinc/58/54/78/347585478.db2.gz YRLNMIBSTCTQEI-STQMWFEESA-N 1 3 250.390 1.387 20 30 CDEDHO CCCNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264115491 362970980 /nfs/dbraw/zinc/97/09/80/362970980.db2.gz PWMVYTHRIVISAU-UHFFFAOYSA-N 1 3 278.400 1.441 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000165201764 188629769 /nfs/dbraw/zinc/62/97/69/188629769.db2.gz GALYERVWTPYFOI-HUUCEWRRSA-N 1 3 279.428 1.411 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000069840969 356496757 /nfs/dbraw/zinc/49/67/57/356496757.db2.gz NUWASPYWACYPQS-AWEZNQCLSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000277496708 359562969 /nfs/dbraw/zinc/56/29/69/359562969.db2.gz OLPVJWVPVJKEMC-LSDHHAIUSA-N 1 3 281.444 1.929 20 30 CDEDHO C[NH+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280035879 367235538 /nfs/dbraw/zinc/23/55/38/367235538.db2.gz RUPSDERNLFWROX-HNNXBMFYSA-N 1 3 284.363 1.308 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)C(C)C ZINC000296361806 378727993 /nfs/dbraw/zinc/72/79/93/378727993.db2.gz JNMOQIMRTKKLRF-GDBMZVCRSA-N 1 3 293.455 1.942 20 30 CDEDHO C=CCN1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236659341 390918140 /nfs/dbraw/zinc/91/81/40/390918140.db2.gz ZVMUUBGBUVXLKS-UHFFFAOYSA-N 1 3 279.428 1.533 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977626 391375455 /nfs/dbraw/zinc/37/54/55/391375455.db2.gz FITPHFJOZJNAMJ-OAGGEKHMSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(C)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336153929 391867485 /nfs/dbraw/zinc/86/74/85/391867485.db2.gz PXNPMAQWSQVXQG-CQSZACIVSA-N 1 3 251.418 1.663 20 30 CDEDHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(C#N)c1 ZINC000219305742 140166023 /nfs/dbraw/zinc/16/60/23/140166023.db2.gz FOZHHAYXIOPAIA-CYBMUJFWSA-N 1 3 261.369 1.787 20 30 CDEDHO CC(C#N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000332063492 228145715 /nfs/dbraw/zinc/14/57/15/228145715.db2.gz ZNAIKTOQBCLLLT-LBPRGKRZSA-N 1 3 251.374 1.917 20 30 CDEDHO C[N@@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497365 263055747 /nfs/dbraw/zinc/05/57/47/263055747.db2.gz JUDHBYLHEHLRCS-CVEARBPZSA-N 1 3 296.374 1.308 20 30 CDEDHO C[N@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497365 263055748 /nfs/dbraw/zinc/05/57/48/263055748.db2.gz JUDHBYLHEHLRCS-CVEARBPZSA-N 1 3 296.374 1.308 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000357168179 266259405 /nfs/dbraw/zinc/25/94/05/266259405.db2.gz BFYRSDTWFLYFMX-ZBFHGGJFSA-N 1 3 293.455 1.657 20 30 CDEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCC#N ZINC000371292625 267383981 /nfs/dbraw/zinc/38/39/81/267383981.db2.gz CNODBCWMKXTDEZ-QLFBSQMISA-N 1 3 265.401 1.864 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cscc1C ZINC000262752242 330029199 /nfs/dbraw/zinc/02/91/99/330029199.db2.gz CGEXEEKVNKJLDW-CYBMUJFWSA-N 1 3 280.441 1.945 20 30 CDEDHO CN(C)C1(CNC(=[NH2+])NCC2CCC2)CCCCC1 ZINC000263229150 330049909 /nfs/dbraw/zinc/04/99/09/330049909.db2.gz HPGCAAXCKCGAAX-UHFFFAOYSA-N 1 3 266.433 1.955 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)C(C)C ZINC000269250464 330068115 /nfs/dbraw/zinc/06/81/15/330068115.db2.gz XYTQWBKDMAXAGH-LSDHHAIUSA-N 1 3 281.444 1.657 20 30 CDEDHO C[NH+](C)CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433114754 330148419 /nfs/dbraw/zinc/14/84/19/330148419.db2.gz NXKRERLHHSHYLG-HNNXBMFYSA-N 1 3 273.380 1.827 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000424158540 330305585 /nfs/dbraw/zinc/30/55/85/330305585.db2.gz RDUPENKZAOJLIR-KGLIPLIRSA-N 1 3 278.400 1.094 20 30 CDEDHO C#CCNC(=O)CCNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000491325714 332189887 /nfs/dbraw/zinc/18/98/87/332189887.db2.gz GENVEZAJNJBTOC-UHFFFAOYSA-N 1 3 265.401 1.025 20 30 CDEDHO C=C(CN(C)C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000764424492 575906084 /nfs/dbraw/zinc/90/60/84/575906084.db2.gz QDHAWXUCIOQNJR-UHFFFAOYSA-N 1 3 289.423 1.872 20 30 CDEDHO C=C(CN(C)C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000764424492 575906087 /nfs/dbraw/zinc/90/60/87/575906087.db2.gz QDHAWXUCIOQNJR-UHFFFAOYSA-N 1 3 289.423 1.872 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000764575305 575921661 /nfs/dbraw/zinc/92/16/61/575921661.db2.gz JCSORDMPZQAJSJ-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244245 613007752 /nfs/dbraw/zinc/00/77/52/613007752.db2.gz GFQZDPXRDGIWNH-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244245 613007754 /nfs/dbraw/zinc/00/77/54/613007754.db2.gz GFQZDPXRDGIWNH-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC)C2)CC1 ZINC000981539867 613131643 /nfs/dbraw/zinc/13/16/43/613131643.db2.gz ACRKBHYMLDNTMV-CVEARBPZSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971679774 613284872 /nfs/dbraw/zinc/28/48/72/613284872.db2.gz UYZFVHBTVXLCTN-CABCVRRESA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971679774 613284874 /nfs/dbraw/zinc/28/48/74/613284874.db2.gz UYZFVHBTVXLCTN-CABCVRRESA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968904774 613348072 /nfs/dbraw/zinc/34/80/72/613348072.db2.gz ZPZJCLVZEYWRHN-CYBMUJFWSA-N 1 3 265.401 1.237 20 30 CDEDHO 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828037612 /nfs/dbraw/zinc/03/76/12/828037612.db2.gz DAGIYPVISJDUQU-CHWSQXEVSA-N 1 3 254.422 1.811 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712286 828213832 /nfs/dbraw/zinc/21/38/32/828213832.db2.gz GPZWZPROIOHFFV-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712286 828213842 /nfs/dbraw/zinc/21/38/42/828213842.db2.gz GPZWZPROIOHFFV-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265486 913519217 /nfs/dbraw/zinc/51/92/17/913519217.db2.gz YKTZGHITWYDNGA-CVEARBPZSA-N 1 3 293.455 1.616 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCSC(F)(F)F ZINC000170905203 898947302 /nfs/dbraw/zinc/94/73/02/898947302.db2.gz UMJYVUZURWCOKI-VIFPVBQESA-N 1 3 298.378 1.628 20 30 CDEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088011402 906124881 /nfs/dbraw/zinc/12/48/81/906124881.db2.gz LSZTVZUJIUYVAD-OWCLPIDISA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088011402 906124889 /nfs/dbraw/zinc/12/48/89/906124889.db2.gz LSZTVZUJIUYVAD-OWCLPIDISA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088703030 909144906 /nfs/dbraw/zinc/14/49/06/909144906.db2.gz XTNWWPQQAKTNMY-CABCVRRESA-N 1 3 289.423 1.217 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CC[NH3+])CC1 ZINC001172294823 911593598 /nfs/dbraw/zinc/59/35/98/911593598.db2.gz NJVWENOSMVNGMR-AWEZNQCLSA-N 1 3 272.396 1.066 20 30 CDEDHO C[NH+](C)CCNC(=O)C(C#N)Cc1cccs1 ZINC001177905234 915015269 /nfs/dbraw/zinc/01/52/69/915015269.db2.gz SFXUNCHZSPJGTL-SNVBAGLBSA-N 1 3 251.355 1.108 20 30 CDEDHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484176050 915491169 /nfs/dbraw/zinc/49/11/69/915491169.db2.gz ZVKJNOXQQGXJRZ-DOTOQJQBSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484176050 915491179 /nfs/dbraw/zinc/49/11/79/915491179.db2.gz ZVKJNOXQQGXJRZ-DOTOQJQBSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107551092 918446900 /nfs/dbraw/zinc/44/69/00/918446900.db2.gz WYWOIGLFGGFATA-ZMSDIMECSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107551092 918446907 /nfs/dbraw/zinc/44/69/07/918446907.db2.gz WYWOIGLFGGFATA-ZMSDIMECSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184555935 919192342 /nfs/dbraw/zinc/19/23/42/919192342.db2.gz NEGIDNUKCRAOCJ-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185548272 919648806 /nfs/dbraw/zinc/64/88/06/919648806.db2.gz KZTXWHHZEGDOCZ-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190444620 921998511 /nfs/dbraw/zinc/99/85/11/921998511.db2.gz RPXCPLVLMNMVIR-KBPBESRZSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190444620 921998516 /nfs/dbraw/zinc/99/85/16/921998516.db2.gz RPXCPLVLMNMVIR-KBPBESRZSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190897984 922285441 /nfs/dbraw/zinc/28/54/41/922285441.db2.gz AIMMRKSMTGJAGQ-LSDHHAIUSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190897984 922285455 /nfs/dbraw/zinc/28/54/55/922285455.db2.gz AIMMRKSMTGJAGQ-LSDHHAIUSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037261 924022738 /nfs/dbraw/zinc/02/27/38/924022738.db2.gz FPBOQKKBDUPQNL-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194037261 924022751 /nfs/dbraw/zinc/02/27/51/924022751.db2.gz FPBOQKKBDUPQNL-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918288 936945272 /nfs/dbraw/zinc/94/52/72/936945272.db2.gz MXVXTDPAGPWTFQ-UHFFFAOYSA-N 1 3 290.411 1.711 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082742851 924991762 /nfs/dbraw/zinc/99/17/62/924991762.db2.gz UQTXRFIFSDGWNF-RRFJBIMHSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152452202 925430580 /nfs/dbraw/zinc/43/05/80/925430580.db2.gz WPYYTPREBWLYSX-GJZGRUSLSA-N 1 3 281.444 1.921 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048538 937039178 /nfs/dbraw/zinc/03/91/78/937039178.db2.gz FZRUDNRWFFQMRI-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048538 937039181 /nfs/dbraw/zinc/03/91/81/937039181.db2.gz FZRUDNRWFFQMRI-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353906 926543253 /nfs/dbraw/zinc/54/32/53/926543253.db2.gz SYQKACAOKABUBJ-OAHLLOKOSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495908 928609158 /nfs/dbraw/zinc/60/91/58/928609158.db2.gz KVQKHPWTMXDBLI-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115306014 937346556 /nfs/dbraw/zinc/34/65/56/937346556.db2.gz HGMZVUNVABQFSI-FXUDXRNXSA-N 1 3 291.439 1.339 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583436 929798380 /nfs/dbraw/zinc/79/83/80/929798380.db2.gz KJTJPHCJPZKYPN-KBPBESRZSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001275710458 931972092 /nfs/dbraw/zinc/97/20/92/931972092.db2.gz TWOFNYMUHYYHPQ-CQSZACIVSA-N 1 3 283.460 1.833 20 30 CDEDHO N#CCC1CCC(N2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246638783 932157404 /nfs/dbraw/zinc/15/74/04/932157404.db2.gz TWRJEBDXSZNFJK-NRXISQOPSA-N 1 3 262.401 1.096 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC001149124980 932563530 /nfs/dbraw/zinc/56/35/30/932563530.db2.gz ZMSPXODEONANQX-NSHDSACASA-N 1 3 264.373 1.321 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994017 933416432 /nfs/dbraw/zinc/41/64/32/933416432.db2.gz KTWJBLJFLZOQDL-LVQVYYBASA-N 1 3 291.439 1.317 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001121924250 937891152 /nfs/dbraw/zinc/89/11/52/937891152.db2.gz YYCQNDXWEMHEKD-MCIONIFRSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]([NH3+])C[C@@H](C)CC)CC1 ZINC001121998373 937897566 /nfs/dbraw/zinc/89/75/66/937897566.db2.gz XLHMCOJRBCWJHH-GXTWGEPZSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001122020216 937899718 /nfs/dbraw/zinc/89/97/18/937899718.db2.gz FFZLTSOQQCFISN-CABCVRRESA-N 1 3 279.428 1.518 20 30 CDEDHO CN1CCC(N(c2ccc(C#N)cn2)C2CC[NH2+]CC2)CC1 ZINC001158575341 938639317 /nfs/dbraw/zinc/63/93/17/938639317.db2.gz MMGORYBJEBVESS-UHFFFAOYSA-N 1 3 299.422 1.606 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866950 938673373 /nfs/dbraw/zinc/67/33/73/938673373.db2.gz VBSLROMKBQTOHN-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866950 938673374 /nfs/dbraw/zinc/67/33/74/938673374.db2.gz VBSLROMKBQTOHN-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412951 938901500 /nfs/dbraw/zinc/90/15/00/938901500.db2.gz MWUMCSIEFDQWOC-YJNKXOJESA-N 1 3 279.428 1.646 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161755026 938930551 /nfs/dbraw/zinc/93/05/51/938930551.db2.gz HXKLCINBAACNHR-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)CN(C)CCC)CC1 ZINC001161755026 938930554 /nfs/dbraw/zinc/93/05/54/938930554.db2.gz HXKLCINBAACNHR-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668350 939624972 /nfs/dbraw/zinc/62/49/72/939624972.db2.gz ZPHHIAPRVZALOP-LLVKDONJSA-N 1 3 273.808 1.177 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651686 939699747 /nfs/dbraw/zinc/69/97/47/939699747.db2.gz PBAOHPRQFAITGV-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791431 939704174 /nfs/dbraw/zinc/70/41/74/939704174.db2.gz INZHVBAMKGCJOI-KGLIPLIRSA-N 1 3 279.428 1.530 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203902224 939712244 /nfs/dbraw/zinc/71/22/44/939712244.db2.gz DLFWDVLPMYOUOW-INIZCTEOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203902226 939712308 /nfs/dbraw/zinc/71/23/08/939712308.db2.gz DLFWDVLPMYOUOW-MRXNPFEDSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203933310 939714629 /nfs/dbraw/zinc/71/46/29/939714629.db2.gz XQMUHGMJNRCMBA-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205516233 939895685 /nfs/dbraw/zinc/89/56/85/939895685.db2.gz UOHFMDSDMDXXJJ-OAHLLOKOSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCN(CC[N@H+]1CC[C@@H](F)[C@@H](N)CC1)C(=O)OCC ZINC001206154308 939987726 /nfs/dbraw/zinc/98/77/26/939987726.db2.gz IUPPMZWDZZIDNG-OLZOCXBDSA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCN(CC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1)C(=O)OCC ZINC001206154308 939987729 /nfs/dbraw/zinc/98/77/29/939987729.db2.gz IUPPMZWDZZIDNG-OLZOCXBDSA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668730 940624527 /nfs/dbraw/zinc/62/45/27/940624527.db2.gz HVLZOLVEVQDIJL-CABCVRRESA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214905064 940844622 /nfs/dbraw/zinc/84/46/22/940844622.db2.gz WVKHZQIZRRCQOX-KFWWJZLASA-N 1 3 281.444 1.585 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473474 940888574 /nfs/dbraw/zinc/88/85/74/940888574.db2.gz AYYZPHNKZAKREI-RBSFLKMASA-N 1 3 279.428 1.032 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540774 940893189 /nfs/dbraw/zinc/89/31/89/940893189.db2.gz PRYZHYMJHXZNFC-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221292934 941513759 /nfs/dbraw/zinc/51/37/59/941513759.db2.gz WNKJJXDYIBNVCM-UKRRQHHQSA-N 1 3 292.427 1.305 20 30 CDEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221292934 941513761 /nfs/dbraw/zinc/51/37/61/941513761.db2.gz WNKJJXDYIBNVCM-UKRRQHHQSA-N 1 3 292.427 1.305 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366846 941522675 /nfs/dbraw/zinc/52/26/75/941522675.db2.gz UPMLOXFWSJROFR-FRRDWIJNSA-N 1 3 271.380 1.266 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001223597442 941687581 /nfs/dbraw/zinc/68/75/81/941687581.db2.gz KXZDHYFNHDTTJM-OAHLLOKOSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560416 941770996 /nfs/dbraw/zinc/77/09/96/941770996.db2.gz SXQPHZCFRLVBRV-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227796799 942226015 /nfs/dbraw/zinc/22/60/15/942226015.db2.gz APPDTGRLJTUHRX-HNNXBMFYSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001326014083 954185822 /nfs/dbraw/zinc/18/58/22/954185822.db2.gz QVUVHJWRWOIZFG-UHFFFAOYSA-N 1 3 299.418 1.713 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317380326 956241479 /nfs/dbraw/zinc/24/14/79/956241479.db2.gz AUEPMQRKHYWSEL-HUUCEWRRSA-N 1 3 279.428 1.273 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317380326 956241492 /nfs/dbraw/zinc/24/14/92/956241492.db2.gz AUEPMQRKHYWSEL-HUUCEWRRSA-N 1 3 279.428 1.273 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001426230677 957853152 /nfs/dbraw/zinc/85/31/52/957853152.db2.gz NOKLFMKWOUFTOT-UHFFFAOYSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001368581836 958982036 /nfs/dbraw/zinc/98/20/36/958982036.db2.gz SYQILFRDBOLWHC-JOCQHMNTSA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495208191 972437205 /nfs/dbraw/zinc/43/72/05/972437205.db2.gz BQPYMDOABYKAMD-ZDUSSCGKSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001495208191 972437208 /nfs/dbraw/zinc/43/72/08/972437208.db2.gz BQPYMDOABYKAMD-ZDUSSCGKSA-N 1 3 299.846 1.709 20 30 CDEDHO Cc1ccc(OC[C@@H](O)C[NH2+]CC#CCN(C)C)c(C)c1 ZINC001336770381 960567551 /nfs/dbraw/zinc/56/75/51/960567551.db2.gz IGUWLZZBMRJKFT-INIZCTEOSA-N 1 3 290.407 1.198 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001340128680 962763405 /nfs/dbraw/zinc/76/34/05/962763405.db2.gz NYLNGODOSOQHRE-TZMCWYRMSA-N 1 3 288.395 1.520 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001340471193 962951275 /nfs/dbraw/zinc/95/12/75/962951275.db2.gz IYOVVSUDLAGVKT-AGIUHOORSA-N 1 3 253.390 1.113 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001349474908 966358710 /nfs/dbraw/zinc/35/87/10/966358710.db2.gz ZIYWQBDMIPZHRK-HNNXBMFYSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100404590 968254757 /nfs/dbraw/zinc/25/47/57/968254757.db2.gz JOVPKSYYAPGCFX-UHFFFAOYSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100459305 968412035 /nfs/dbraw/zinc/41/20/35/968412035.db2.gz ZXAJZMAEZVAZTQ-UHFFFAOYSA-N 1 3 267.417 1.387 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001390710661 976448398 /nfs/dbraw/zinc/44/83/98/976448398.db2.gz GKCLMWJDUXACSK-OLZOCXBDSA-N 1 3 289.851 1.810 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](CC)N(C)C ZINC001381212627 976720249 /nfs/dbraw/zinc/72/02/49/976720249.db2.gz AQZCFJRNSUHLRN-RYUDHWBXSA-N 1 3 275.824 1.564 20 30 CDEDHO C=CCO[C@@H]1CCN(CCC2([NH3+])CCOCC2)C1 ZINC001574942590 1171057141 /nfs/dbraw/zinc/05/71/41/1171057141.db2.gz CCIFBNMQHFFCBY-CYBMUJFWSA-N 1 3 254.374 1.161 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000591577145 342637776 /nfs/dbraw/zinc/63/77/76/342637776.db2.gz NRMUIVKQRALHOV-QGZVFWFLSA-N 1 3 284.407 1.474 20 30 CDEDHO C[NH+]1CCC(N2CC[C@H](NC[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736726 342645016 /nfs/dbraw/zinc/64/50/16/342645016.db2.gz KLUCYJFKACIUNH-CABCVRRESA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@@H+]2CC[C@H](NC[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736726 342645017 /nfs/dbraw/zinc/64/50/17/342645017.db2.gz KLUCYJFKACIUNH-CABCVRRESA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@H+]2CC[C@H](NC[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736726 342645018 /nfs/dbraw/zinc/64/50/18/342645018.db2.gz KLUCYJFKACIUNH-CABCVRRESA-N 1 3 289.427 1.188 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)C[NH+]1CCCCC1 ZINC000594441571 342907388 /nfs/dbraw/zinc/90/73/88/342907388.db2.gz STQMRXDMRZDQEY-HUUCEWRRSA-N 1 3 294.443 1.636 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687341 342371941 /nfs/dbraw/zinc/37/19/41/342371941.db2.gz NWDSERFFVFRZFS-HOCLYGCPSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081687341 342371942 /nfs/dbraw/zinc/37/19/42/342371942.db2.gz NWDSERFFVFRZFS-HOCLYGCPSA-N 1 3 291.439 1.627 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000598714698 343881035 /nfs/dbraw/zinc/88/10/35/343881035.db2.gz IPQQRVZEPIXYPJ-RDBSUJKOSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000598714698 343881036 /nfs/dbraw/zinc/88/10/36/343881036.db2.gz IPQQRVZEPIXYPJ-RDBSUJKOSA-N 1 3 265.401 1.504 20 30 CDEDHO CN(C)CCOc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000264134885 362975612 /nfs/dbraw/zinc/97/56/12/362975612.db2.gz VANVKUFSAOUUKG-UHFFFAOYSA-N 1 3 292.427 1.606 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000110650330 365112996 /nfs/dbraw/zinc/11/29/96/365112996.db2.gz ZJGOCEIVLGFAOX-ZDUSSCGKSA-N 1 3 265.401 1.246 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000358295382 367580501 /nfs/dbraw/zinc/58/05/01/367580501.db2.gz DSEHQTMHXNQLPI-AWEZNQCLSA-N 1 3 296.459 1.666 20 30 CDEDHO N#Cc1csc(CNCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000304656527 374073768 /nfs/dbraw/zinc/07/37/68/374073768.db2.gz RYXSWRKXISDQKF-CQSZACIVSA-N 1 3 293.436 1.946 20 30 CDEDHO N#Cc1csc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000304656527 374073774 /nfs/dbraw/zinc/07/37/74/374073774.db2.gz RYXSWRKXISDQKF-CQSZACIVSA-N 1 3 293.436 1.946 20 30 CDEDHO C=CCN1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000236659297 375970534 /nfs/dbraw/zinc/97/05/34/375970534.db2.gz GXAZPZHTOMJLDH-UHFFFAOYSA-N 1 3 265.401 1.143 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341933 376332235 /nfs/dbraw/zinc/33/22/35/376332235.db2.gz OXLWRCNLOBYSKM-HOTGVXAUSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341932 376332577 /nfs/dbraw/zinc/33/25/77/376332577.db2.gz OXLWRCNLOBYSKM-CVEARBPZSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356264986 391242760 /nfs/dbraw/zinc/24/27/60/391242760.db2.gz NKQMYLCFUJACMY-ZDUSSCGKSA-N 1 3 281.444 1.920 20 30 CDEDHO N#Cc1ccc(N2CCC(NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000423321631 392962881 /nfs/dbraw/zinc/96/28/81/392962881.db2.gz NFXUFJCYHLKPSP-KRWDZBQOSA-N 1 3 284.407 1.854 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000662681933 413301535 /nfs/dbraw/zinc/30/15/35/413301535.db2.gz NTSDHKWFLUNXPD-RBSFLKMASA-N 1 3 279.428 1.539 20 30 CDEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000333562038 228204513 /nfs/dbraw/zinc/20/45/13/228204513.db2.gz LCTLRSRZJIOKLK-GZBLMMOJSA-N 1 3 263.385 1.425 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185713307 329330482 /nfs/dbraw/zinc/33/04/82/329330482.db2.gz MMEFEGZBEXABCN-JKSUJKDBSA-N 1 3 278.444 1.686 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCOCC1 ZINC000262196364 330001688 /nfs/dbraw/zinc/00/16/88/330001688.db2.gz ZHVKJVVGFCXAJW-ZDUSSCGKSA-N 1 3 282.432 1.192 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262532818 330019897 /nfs/dbraw/zinc/01/98/97/330019897.db2.gz OMZMNLHBHUSVHM-AAVRWANBSA-N 1 3 294.443 1.189 20 30 CDEDHO CC1(C)CCCN1CCNC(=[NH2+])N1CCSCC1 ZINC000263178259 330047732 /nfs/dbraw/zinc/04/77/32/330047732.db2.gz SZPOBYJLQZCATG-UHFFFAOYSA-N 1 3 270.446 1.224 20 30 CDEDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424141680 330283747 /nfs/dbraw/zinc/28/37/47/330283747.db2.gz HLGIVOLJMJWRGE-KGLIPLIRSA-N 1 3 280.416 1.388 20 30 CDEDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424141680 330283748 /nfs/dbraw/zinc/28/37/48/330283748.db2.gz HLGIVOLJMJWRGE-KGLIPLIRSA-N 1 3 280.416 1.388 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491692040 332288677 /nfs/dbraw/zinc/28/86/77/332288677.db2.gz HPKIWWXIDNGPEX-GJZGRUSLSA-N 1 3 294.443 1.066 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491692040 332288679 /nfs/dbraw/zinc/28/86/79/332288679.db2.gz HPKIWWXIDNGPEX-GJZGRUSLSA-N 1 3 294.443 1.066 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000130458103 333843175 /nfs/dbraw/zinc/84/31/75/333843175.db2.gz SNKMFGRHHQXYFY-CVEARBPZSA-N 1 3 293.455 1.801 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481098202 1159521974 /nfs/dbraw/zinc/52/19/74/1159521974.db2.gz STNBHAVIQMANMN-GJZGRUSLSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001481098202 1159521976 /nfs/dbraw/zinc/52/19/76/1159521976.db2.gz STNBHAVIQMANMN-GJZGRUSLSA-N 1 3 281.444 1.587 20 30 CDEDHO CC(C#N)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738519727 576085320 /nfs/dbraw/zinc/08/53/20/576085320.db2.gz FZFKSRMKMOCOJK-GFCCVEGCSA-N 1 3 259.353 1.866 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388853 613178402 /nfs/dbraw/zinc/17/84/02/613178402.db2.gz LDMPOEDKXSIPQT-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948388853 613178404 /nfs/dbraw/zinc/17/84/04/613178404.db2.gz LDMPOEDKXSIPQT-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481024 613341207 /nfs/dbraw/zinc/34/12/07/613341207.db2.gz XUGPVLDBOPWYNJ-AWEZNQCLSA-N 1 3 291.439 1.485 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948246126 613557952 /nfs/dbraw/zinc/55/79/52/613557952.db2.gz VSKYOIGKGAKSFM-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948246126 613557953 /nfs/dbraw/zinc/55/79/53/613557953.db2.gz VSKYOIGKGAKSFM-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)NCc2cc(N)ccn2)CC1 ZINC000891522483 617458883 /nfs/dbraw/zinc/45/88/83/617458883.db2.gz QJKDACRAIDDLER-UHFFFAOYSA-N 1 3 289.383 1.113 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232538 1158545730 /nfs/dbraw/zinc/54/57/30/1158545730.db2.gz GRIYRLLNCHDZGN-HNNXBMFYSA-N 1 3 293.455 1.780 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274167 1163622560 /nfs/dbraw/zinc/62/25/60/1163622560.db2.gz CJJTZSZSZSVLRN-LSDHHAIUSA-N 1 3 279.428 1.036 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706118 1164169377 /nfs/dbraw/zinc/16/93/77/1164169377.db2.gz PBDQNGGHCSXHQR-ZIAGYGMSSA-N 1 3 269.433 1.777 20 30 CDEDHO CNC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001578654404 1171973038 /nfs/dbraw/zinc/97/30/38/1171973038.db2.gz OTUKXFSMLJGEOJ-MRXNPFEDSA-N 1 3 275.396 1.597 20 30 CDEDHO CNC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001578654404 1171973044 /nfs/dbraw/zinc/97/30/44/1171973044.db2.gz OTUKXFSMLJGEOJ-MRXNPFEDSA-N 1 3 275.396 1.597 20 30 CDEDHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1nc(C#N)cs1 ZINC001579454646 1172183414 /nfs/dbraw/zinc/18/34/14/1172183414.db2.gz RTSWYNRCJDEVHQ-NXEZZACHSA-N 1 3 250.371 1.350 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001752806991 1184918977 /nfs/dbraw/zinc/91/89/77/1184918977.db2.gz WLVKSDOOAZFRDR-HOTGVXAUSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)C[NH2+]C/C=C\CNC(=O)CN1CC[C@H](C)C1 ZINC001754173036 1185492405 /nfs/dbraw/zinc/49/24/05/1185492405.db2.gz FUHOSLNTBAXAFH-WSNITJDQSA-N 1 3 265.401 1.166 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001755851452 1186090158 /nfs/dbraw/zinc/09/01/58/1186090158.db2.gz XJEIBDSISPQRQD-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)CC[N@H+](C)CCC)CC1 ZINC001755851452 1186090165 /nfs/dbraw/zinc/09/01/65/1186090165.db2.gz XJEIBDSISPQRQD-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001341584457 963473363 /nfs/dbraw/zinc/47/33/63/963473363.db2.gz FPAMVKCOQOBOSK-QWHCGFSZSA-N 1 3 253.390 1.223 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995921784 833304969 /nfs/dbraw/zinc/30/49/69/833304969.db2.gz YFHHQDCCZPNUBD-CQSZACIVSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2/C=C/C)CC1 ZINC000876756534 833313740 /nfs/dbraw/zinc/31/37/40/833313740.db2.gz UISQQGXKVGIBSA-UFYXKPLISA-N 1 3 277.412 1.165 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997009106 829121864 /nfs/dbraw/zinc/12/18/64/829121864.db2.gz HIUXACIXORPGJU-ZDUSSCGKSA-N 1 3 287.835 1.660 20 30 CDEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)N(C)C ZINC001039282215 829125078 /nfs/dbraw/zinc/12/50/78/829125078.db2.gz KEUIAKHTCDIZRV-WTXIUTQJSA-N 1 3 291.439 1.462 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001054735746 833404420 /nfs/dbraw/zinc/40/44/20/833404420.db2.gz KEAYGOZRPLUFJP-CHWSQXEVSA-N 1 3 265.401 1.093 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000303896209 830011728 /nfs/dbraw/zinc/01/17/28/830011728.db2.gz PVEQIJYYJYEUCZ-RWMBFGLXSA-N 1 3 270.421 1.189 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001016330330 832792390 /nfs/dbraw/zinc/79/23/90/832792390.db2.gz FYYNLWWKNAVHAQ-MRXNPFEDSA-N 1 3 289.423 1.098 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001016330330 832792423 /nfs/dbraw/zinc/79/24/23/832792423.db2.gz FYYNLWWKNAVHAQ-MRXNPFEDSA-N 1 3 289.423 1.098 20 30 CDEDHO C=CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001026560698 832832063 /nfs/dbraw/zinc/83/20/63/832832063.db2.gz BUSDFTSAADBYEX-WLYUNCDWSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579542 832869291 /nfs/dbraw/zinc/86/92/91/832869291.db2.gz GVDADPHLFKXYLU-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579542 832869293 /nfs/dbraw/zinc/86/92/93/832869293.db2.gz GVDADPHLFKXYLU-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CCC1 ZINC000305048662 832877248 /nfs/dbraw/zinc/87/72/48/832877248.db2.gz BRRYXAACRNMDHC-CQSZACIVSA-N 1 3 296.459 1.582 20 30 CDEDHO N#Cc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000872146285 832883179 /nfs/dbraw/zinc/88/31/79/832883179.db2.gz JWVIBZBQWNCDJQ-OAHLLOKOSA-N 1 3 299.422 1.465 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983346 833491162 /nfs/dbraw/zinc/49/11/62/833491162.db2.gz SIMHEOTUMHKNFR-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983346 833491174 /nfs/dbraw/zinc/49/11/74/833491174.db2.gz SIMHEOTUMHKNFR-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCONC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000848201193 834008133 /nfs/dbraw/zinc/00/81/33/834008133.db2.gz UJUCCMFUFNJUHQ-UHFFFAOYSA-N 1 3 295.427 1.417 20 30 CDEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC001006408977 834066658 /nfs/dbraw/zinc/06/66/58/834066658.db2.gz XXPPRNMTLHDIOQ-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919133 834353639 /nfs/dbraw/zinc/35/36/39/834353639.db2.gz STKZFSFJKMOQON-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919133 834353650 /nfs/dbraw/zinc/35/36/50/834353650.db2.gz STKZFSFJKMOQON-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000817915530 834578167 /nfs/dbraw/zinc/57/81/67/834578167.db2.gz NTGZETZLXKYWRC-TZMCWYRMSA-N 1 3 259.353 1.784 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001000194499 834895846 /nfs/dbraw/zinc/89/58/46/834895846.db2.gz VUQFNAIJVCSMGF-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001045441415 835200765 /nfs/dbraw/zinc/20/07/65/835200765.db2.gz FGQGFXCPRGJNGW-HNNXBMFYSA-N 1 3 291.439 1.485 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994405939 835431517 /nfs/dbraw/zinc/43/15/17/835431517.db2.gz JFNDBNOGANYALG-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994405939 835431522 /nfs/dbraw/zinc/43/15/22/835431522.db2.gz JFNDBNOGANYALG-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405939 835431529 /nfs/dbraw/zinc/43/15/29/835431529.db2.gz JFNDBNOGANYALG-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001566613169 1168356667 /nfs/dbraw/zinc/35/66/67/1168356667.db2.gz QIUOBBXMQYYGCQ-HNNXBMFYSA-N 1 3 279.428 1.273 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255219 913729076 /nfs/dbraw/zinc/72/90/76/913729076.db2.gz KHIJYRJWKLLDQG-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676714 898872836 /nfs/dbraw/zinc/87/28/36/898872836.db2.gz VGVMOMTYQNTCON-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088381747 907064481 /nfs/dbraw/zinc/06/44/81/907064481.db2.gz LJZHAALYTONQJG-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658297 909485106 /nfs/dbraw/zinc/48/51/06/909485106.db2.gz OQQGUHOGKIRARV-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658297 909485112 /nfs/dbraw/zinc/48/51/12/909485112.db2.gz OQQGUHOGKIRARV-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178360959 915393063 /nfs/dbraw/zinc/39/30/63/915393063.db2.gz UAWSRTUTDUQLBV-KKUMJFAQSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179585728 915913429 /nfs/dbraw/zinc/91/34/29/915913429.db2.gz JWODFUPLNOMFQG-OAHLLOKOSA-N 1 3 281.444 1.780 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179743999 915961222 /nfs/dbraw/zinc/96/12/22/915961222.db2.gz BWSRHNAICPREDP-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741867 918116561 /nfs/dbraw/zinc/11/65/61/918116561.db2.gz WRERVKPVEKYURH-CZUORRHYSA-N 1 3 290.411 1.603 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185361329 919546855 /nfs/dbraw/zinc/54/68/55/919546855.db2.gz YHKKQOGKWHYLTB-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644879 922121264 /nfs/dbraw/zinc/12/12/64/922121264.db2.gz NTXDHRZYGAAPNM-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644879 922121272 /nfs/dbraw/zinc/12/12/72/922121272.db2.gz NTXDHRZYGAAPNM-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354207 923027042 /nfs/dbraw/zinc/02/70/42/923027042.db2.gz JLQOORCIUWLAPD-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354207 923027059 /nfs/dbraw/zinc/02/70/59/923027059.db2.gz JLQOORCIUWLAPD-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100900111 936943919 /nfs/dbraw/zinc/94/39/19/936943919.db2.gz QPNQXUGIMPJPQW-UHFFFAOYSA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070192 937040027 /nfs/dbraw/zinc/04/00/27/937040027.db2.gz ANTSAIRJSMOMPK-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070192 937040030 /nfs/dbraw/zinc/04/00/30/937040030.db2.gz ANTSAIRJSMOMPK-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201327480 926265795 /nfs/dbraw/zinc/26/57/95/926265795.db2.gz OPYBQBQALLWVSQ-UHFFFAOYSA-N 1 3 279.428 1.321 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169099747 927702796 /nfs/dbraw/zinc/70/27/96/927702796.db2.gz USKCLOBFNQUIDX-XYYAHUGASA-N 1 3 252.358 1.321 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830539 928655876 /nfs/dbraw/zinc/65/58/76/928655876.db2.gz PBHVSDVBEXAJLD-XHSDSOJGSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108832802 928658393 /nfs/dbraw/zinc/65/83/93/928658393.db2.gz YQIZNDGOXKLESZ-ZNMIVQPWSA-N 1 3 279.428 1.482 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001152148469 937338860 /nfs/dbraw/zinc/33/88/60/937338860.db2.gz QELHMQFGJWMNKN-BETUJISGSA-N 1 3 253.390 1.141 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583711 929798253 /nfs/dbraw/zinc/79/82/53/929798253.db2.gz NQDRKGPSKHZPDJ-ZIAGYGMSSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583437 929798544 /nfs/dbraw/zinc/79/85/44/929798544.db2.gz KJTJPHCJPZKYPN-KGLIPLIRSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135746075 930394350 /nfs/dbraw/zinc/39/43/50/930394350.db2.gz CVAGPAHKHJNPNZ-LSDHHAIUSA-N 1 3 299.459 1.404 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238685 932091733 /nfs/dbraw/zinc/09/17/33/932091733.db2.gz YGWSAPLJLUWDEM-AWEZNQCLSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147772730 932597008 /nfs/dbraw/zinc/59/70/08/932597008.db2.gz AYPHHXPOIIQXQG-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001147772730 932597016 /nfs/dbraw/zinc/59/70/16/932597016.db2.gz AYPHHXPOIIQXQG-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226640 937651353 /nfs/dbraw/zinc/65/13/53/937651353.db2.gz MADSEFSDTZPWIE-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226640 937651354 /nfs/dbraw/zinc/65/13/54/937651354.db2.gz MADSEFSDTZPWIE-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121934991 937892132 /nfs/dbraw/zinc/89/21/32/937892132.db2.gz BIFMOLWRZJXGJV-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158073273 938580260 /nfs/dbraw/zinc/58/02/60/938580260.db2.gz MHEOZKIODWDKJL-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161140062 938874840 /nfs/dbraw/zinc/87/48/40/938874840.db2.gz FPTNAQRCAAWIID-MRXNPFEDSA-N 1 3 293.455 1.897 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001161140062 938874843 /nfs/dbraw/zinc/87/48/43/938874843.db2.gz FPTNAQRCAAWIID-MRXNPFEDSA-N 1 3 293.455 1.897 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166707813 939629847 /nfs/dbraw/zinc/62/98/47/939629847.db2.gz JGLRLLAXUQPVHR-PWSUYJOCSA-N 1 3 273.808 1.033 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166707813 939629848 /nfs/dbraw/zinc/62/98/48/939629848.db2.gz JGLRLLAXUQPVHR-PWSUYJOCSA-N 1 3 273.808 1.033 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461425 939890689 /nfs/dbraw/zinc/89/06/89/939890689.db2.gz ITQQSHIXFSHIRN-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653037 940226666 /nfs/dbraw/zinc/22/66/66/940226666.db2.gz UWFJPCFYPVYCAT-OAGGEKHMSA-N 1 3 295.471 1.975 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653037 940226669 /nfs/dbraw/zinc/22/66/69/940226669.db2.gz UWFJPCFYPVYCAT-OAGGEKHMSA-N 1 3 295.471 1.975 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334374 940320815 /nfs/dbraw/zinc/32/08/15/940320815.db2.gz JAUYZZMHEUHCMG-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO N#Cc1c(NC(=O)[C@H](N)CCC[NH3+])sc2c1CCC2 ZINC001218545672 941235039 /nfs/dbraw/zinc/23/50/39/941235039.db2.gz LIUCFKLUZSQHTK-SNVBAGLBSA-N 1 3 278.381 1.113 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218629135 941247784 /nfs/dbraw/zinc/24/77/84/941247784.db2.gz XQHLMNKCNPLQHF-LLVKDONJSA-N 1 3 296.330 1.052 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218871983 941282079 /nfs/dbraw/zinc/28/20/79/941282079.db2.gz ZAXFKRVYXULQLB-ZWNOBZJWSA-N 1 3 260.341 1.318 20 30 CDEDHO N#CCc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ccc1F ZINC001219518193 941351476 /nfs/dbraw/zinc/35/14/76/941351476.db2.gz AXXNHUZRMKMAJV-AWEZNQCLSA-N 1 3 290.342 1.157 20 30 CDEDHO N#CCc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)ccc1F ZINC001219518194 941351540 /nfs/dbraw/zinc/35/15/40/941351540.db2.gz AXXNHUZRMKMAJV-CQSZACIVSA-N 1 3 290.342 1.157 20 30 CDEDHO C[C@H]1CC[C@H](NC(=O)C[C@@H](N)c2ccc(C#N)cc2)C[NH2+]1 ZINC001219586682 941360143 /nfs/dbraw/zinc/36/01/43/941360143.db2.gz AXKVFWKWAAPXMD-TUKIKUTGSA-N 1 3 286.379 1.205 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219640629 941368244 /nfs/dbraw/zinc/36/82/44/941368244.db2.gz BATKDBSVIIMIAQ-KKUMJFAQSA-N 1 3 281.444 1.812 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001227987445 942252144 /nfs/dbraw/zinc/25/21/44/942252144.db2.gz ZQOKGIJKHOFOIG-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCOCc1nn(C)c2c1CN(CCCC[NH3+])CC2 ZINC001235546585 944195140 /nfs/dbraw/zinc/19/51/40/944195140.db2.gz RLSUQVCDTDWIQI-UHFFFAOYSA-N 1 3 278.400 1.220 20 30 CDEDHO C=CCc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[O-] ZINC001235993774 944361768 /nfs/dbraw/zinc/36/17/68/944361768.db2.gz KBYIYZHNCBEKRI-XYPWUTKMSA-N 1 3 288.391 1.526 20 30 CDEDHO C=CCc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[O-] ZINC001235993774 944361776 /nfs/dbraw/zinc/36/17/76/944361776.db2.gz KBYIYZHNCBEKRI-XYPWUTKMSA-N 1 3 288.391 1.526 20 30 CDEDHO CC[C@H](CC#N)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246145358 947986477 /nfs/dbraw/zinc/98/64/77/947986477.db2.gz MONBARIKEXOUBB-OLZOCXBDSA-N 1 3 250.390 1.142 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001479895264 971474864 /nfs/dbraw/zinc/47/48/64/971474864.db2.gz HGZJXKSDXRSSFU-MRXNPFEDSA-N 1 3 293.455 1.519 20 30 CDEDHO C=CCOC[C@@]12CCCO[C@@H]1CCN(C1CC[NH2+]CC1)C2 ZINC001246724653 948418881 /nfs/dbraw/zinc/41/88/81/948418881.db2.gz WEMNOBWZNCWDFD-SJORKVTESA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCNCC1)C2 ZINC001246724653 948418886 /nfs/dbraw/zinc/41/88/86/948418886.db2.gz WEMNOBWZNCWDFD-SJORKVTESA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCNCC1)C2 ZINC001246724653 948418892 /nfs/dbraw/zinc/41/88/92/948418892.db2.gz WEMNOBWZNCWDFD-SJORKVTESA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC001252493730 951367244 /nfs/dbraw/zinc/36/72/44/951367244.db2.gz SKLYYUNLQXILKV-HNNXBMFYSA-N 1 3 268.401 1.156 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001436347481 962202473 /nfs/dbraw/zinc/20/24/73/962202473.db2.gz RZXPFIVFWFTPAI-BETUJISGSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100404794 968255062 /nfs/dbraw/zinc/25/50/62/968255062.db2.gz VCNBSGGYYGSLCI-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436349 1163290737 /nfs/dbraw/zinc/29/07/37/1163290737.db2.gz KUNYURFEJZGPQL-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132436349 1163290741 /nfs/dbraw/zinc/29/07/41/1163290741.db2.gz KUNYURFEJZGPQL-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CC[NH2+][C@H](CCNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001676175362 1174187293 /nfs/dbraw/zinc/18/72/93/1174187293.db2.gz FSKFRDWZWIEZKK-KGLIPLIRSA-N 1 3 267.417 1.080 20 30 CDEDHO C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001570677152 1170229053 /nfs/dbraw/zinc/22/90/53/1170229053.db2.gz TWOFNYMUHYYHPQ-AWEZNQCLSA-N 1 3 283.460 1.833 20 30 CDEDHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H](O)CC1(C#N)CCC1 ZINC001575452065 1171177068 /nfs/dbraw/zinc/17/70/68/1171177068.db2.gz BWQBXHOSEPYWRE-KBPBESRZSA-N 1 3 267.417 1.736 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611584611 346826104 /nfs/dbraw/zinc/82/61/04/346826104.db2.gz BSHLOXVJSGOVNX-UPJWGTAASA-N 1 3 263.385 1.915 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584611 346826108 /nfs/dbraw/zinc/82/61/08/346826108.db2.gz BSHLOXVJSGOVNX-UPJWGTAASA-N 1 3 263.385 1.915 20 30 CDEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000439708671 361830813 /nfs/dbraw/zinc/83/08/13/361830813.db2.gz ZSNXFIQMKWDOAA-QWHCGFSZSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000439708671 361830817 /nfs/dbraw/zinc/83/08/17/361830817.db2.gz ZSNXFIQMKWDOAA-QWHCGFSZSA-N 1 3 251.374 1.773 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596452 343841088 /nfs/dbraw/zinc/84/10/88/343841088.db2.gz RQPGVSJJRKFFIB-UONOGXRCSA-N 1 3 267.417 1.561 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596452 343841089 /nfs/dbraw/zinc/84/10/89/343841089.db2.gz RQPGVSJJRKFFIB-UONOGXRCSA-N 1 3 267.417 1.561 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000598714695 343880970 /nfs/dbraw/zinc/88/09/70/343880970.db2.gz IPQQRVZEPIXYPJ-IHRRRGAJSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000598714695 343880971 /nfs/dbraw/zinc/88/09/71/343880971.db2.gz IPQQRVZEPIXYPJ-IHRRRGAJSA-N 1 3 265.401 1.504 20 30 CDEDHO C[C@H](CCC#N)C[NH2+]CCCCN1CCN(C)CC1 ZINC000602512484 344459689 /nfs/dbraw/zinc/45/96/89/344459689.db2.gz UJPDVVQBBGVHIE-OAHLLOKOSA-N 1 3 266.433 1.543 20 30 CDEDHO C[NH+]1CCC(N2CC[C@@H](NCc3cccc(C#N)n3)C2)CC1 ZINC000602549174 350123174 /nfs/dbraw/zinc/12/31/74/350123174.db2.gz SFPMSIOFEXXEMS-MRXNPFEDSA-N 1 3 299.422 1.211 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1C ZINC000264079226 362960237 /nfs/dbraw/zinc/96/02/37/362960237.db2.gz ICJPJLLTRBQPQP-INIZCTEOSA-N 1 3 288.439 1.926 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000236684131 358798632 /nfs/dbraw/zinc/79/86/32/358798632.db2.gz YIMBMCMBRQTKJC-LSDHHAIUSA-N 1 3 279.428 1.553 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000248177266 361282489 /nfs/dbraw/zinc/28/24/89/361282489.db2.gz VUEOSGFQJBVYNS-SQWLQELKSA-N 1 3 265.445 1.955 20 30 CDEDHO C[C@@H](CNC(=[NH2+])Nc1ccccn1)N1CCC[C@@H](C)C1 ZINC000170913298 365162125 /nfs/dbraw/zinc/16/21/25/365162125.db2.gz LSRVCUFGSBPIMW-OLZOCXBDSA-N 1 3 275.400 1.929 20 30 CDEDHO C#CCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192000855 373586974 /nfs/dbraw/zinc/58/69/74/373586974.db2.gz JKTKVRILXJLZJB-UHFFFAOYSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C[NH3+])CCCC)CC1 ZINC000417520122 377825117 /nfs/dbraw/zinc/82/51/17/377825117.db2.gz BUADJBZILKZNFO-AWEZNQCLSA-N 1 3 282.432 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417535040 377893278 /nfs/dbraw/zinc/89/32/78/377893278.db2.gz IMDBLKJTWYBSQQ-AWEZNQCLSA-N 1 3 280.416 1.063 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417545583 377933971 /nfs/dbraw/zinc/93/39/71/377933971.db2.gz XVBWHDQTBQCZQW-CQSZACIVSA-N 1 3 296.459 1.844 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417536969 377899832 /nfs/dbraw/zinc/89/98/32/377899832.db2.gz YYJQQSFHBMEXCM-KGLIPLIRSA-N 1 3 294.443 1.263 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491765413 262017538 /nfs/dbraw/zinc/01/75/38/262017538.db2.gz DDAGSUMVUJPZJX-QLFBSQMISA-N 1 3 279.428 1.319 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000491765413 262017539 /nfs/dbraw/zinc/01/75/39/262017539.db2.gz DDAGSUMVUJPZJX-QLFBSQMISA-N 1 3 279.428 1.319 20 30 CDEDHO C=C[C@H](CO)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657791360 413026356 /nfs/dbraw/zinc/02/63/56/413026356.db2.gz VDMBWEXPGBPDSM-MRXNPFEDSA-N 1 3 290.407 1.798 20 30 CDEDHO C#CCN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373076843 391104700 /nfs/dbraw/zinc/10/47/00/391104700.db2.gz WPBLXWSTAZGGMG-OKILXGFUSA-N 1 3 250.386 1.441 20 30 CDEDHO C#CCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373076843 391104703 /nfs/dbraw/zinc/10/47/03/391104703.db2.gz WPBLXWSTAZGGMG-OKILXGFUSA-N 1 3 250.386 1.441 20 30 CDEDHO CCNC(=[NH2+])NCc1ccccc1CN1CCC(O)CC1 ZINC000267431676 391194737 /nfs/dbraw/zinc/19/47/37/391194737.db2.gz MRDVWNVEKPZAGP-UHFFFAOYSA-N 1 3 290.411 1.068 20 30 CDEDHO C[NH+]=C(NCc1ccoc1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000179202310 391198366 /nfs/dbraw/zinc/19/83/66/391198366.db2.gz SZAWOBQDFZBKJY-JSGCOSHPSA-N 1 3 278.400 1.673 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309667226 391268129 /nfs/dbraw/zinc/26/81/29/391268129.db2.gz ACKDZMXOAWMUPN-DZGCQCFKSA-N 1 3 271.364 1.784 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309667226 391268135 /nfs/dbraw/zinc/26/81/35/391268135.db2.gz ACKDZMXOAWMUPN-DZGCQCFKSA-N 1 3 271.364 1.784 20 30 CDEDHO CCCNC(=[NH2+])NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272897416 263009684 /nfs/dbraw/zinc/00/96/84/263009684.db2.gz JOZXXEXDMRDHGG-HNNXBMFYSA-N 1 3 290.411 1.068 20 30 CDEDHO CN(C)CC[NH+]1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000576220226 327024912 /nfs/dbraw/zinc/02/49/12/327024912.db2.gz HLGGKVCGNMWFJP-AWEZNQCLSA-N 1 3 277.416 1.046 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000179499340 329209340 /nfs/dbraw/zinc/20/93/40/329209340.db2.gz ZDAUXIONFLGWHY-HUUCEWRRSA-N 1 3 252.402 1.736 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C)C1 ZINC000262486494 330016939 /nfs/dbraw/zinc/01/69/39/330016939.db2.gz SRZFQZDUAVSFQW-HZSPNIEDSA-N 1 3 266.433 1.811 20 30 CDEDHO C=CCN(CC=C)[C@H](CN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422825748 330156509 /nfs/dbraw/zinc/15/65/09/330156509.db2.gz BAKFWAIADPBAOI-GDBMZVCRSA-N 1 3 265.445 1.883 20 30 CDEDHO C=CCC[C@@H](NCCN1CC[NH2+]CC1)c1ccco1 ZINC000423207448 330177386 /nfs/dbraw/zinc/17/73/86/330177386.db2.gz RMZKGENVVKVEOA-CQSZACIVSA-N 1 3 263.385 1.782 20 30 CDEDHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424143373 330287062 /nfs/dbraw/zinc/28/70/62/330287062.db2.gz GCFKBHOYJPKJIW-RDBSUJKOSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CCCC#N ZINC000424143373 330287063 /nfs/dbraw/zinc/28/70/63/330287063.db2.gz GCFKBHOYJPKJIW-RDBSUJKOSA-N 1 3 280.416 1.244 20 30 CDEDHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424144516 330289875 /nfs/dbraw/zinc/28/98/75/330289875.db2.gz LKHCUVAPOUOIRW-HUUCEWRRSA-N 1 3 292.427 1.198 20 30 CDEDHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424144516 330289876 /nfs/dbraw/zinc/28/98/76/330289876.db2.gz LKHCUVAPOUOIRW-HUUCEWRRSA-N 1 3 292.427 1.198 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](CC)CCC)CC1 ZINC000491807128 332360451 /nfs/dbraw/zinc/36/04/51/332360451.db2.gz BPIWFHDGKJXDHE-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC000491807128 332360453 /nfs/dbraw/zinc/36/04/53/332360453.db2.gz BPIWFHDGKJXDHE-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001088381547 1160391844 /nfs/dbraw/zinc/39/18/44/1160391844.db2.gz GYABKJMOGGIEAN-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1C#N ZINC000291794580 533878034 /nfs/dbraw/zinc/87/80/34/533878034.db2.gz WPROXWUQKAQXQO-GFCCVEGCSA-N 1 3 261.369 1.854 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000352733266 526432809 /nfs/dbraw/zinc/43/28/09/526432809.db2.gz XBDQEEVZXVOVFF-UHFFFAOYSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000352733266 526432812 /nfs/dbraw/zinc/43/28/12/526432812.db2.gz XBDQEEVZXVOVFF-UHFFFAOYSA-N 1 3 280.416 1.030 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974993602 613031652 /nfs/dbraw/zinc/03/16/52/613031652.db2.gz IPZIQQDOUJYXPT-OAHLLOKOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960724043 613838879 /nfs/dbraw/zinc/83/88/79/613838879.db2.gz SJWKBPFOUVFKMJ-XUWVNRHRSA-N 1 3 291.439 1.339 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960724043 613838880 /nfs/dbraw/zinc/83/88/80/613838880.db2.gz SJWKBPFOUVFKMJ-XUWVNRHRSA-N 1 3 291.439 1.339 20 30 CDEDHO CC#CC[C@@H](CO)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895131141 619329993 /nfs/dbraw/zinc/32/99/93/619329993.db2.gz GLIDKYZKLCUSLZ-INIZCTEOSA-N 1 3 266.429 1.861 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911755010 629473914 /nfs/dbraw/zinc/47/39/14/629473914.db2.gz XBPGTIXKGZPYKP-DGCLKSJQSA-N 1 3 253.390 1.256 20 30 CDEDHO c1nncn1[NH+]=C1CCN(CCc2ccccc2)CC1 ZINC000915932414 631868237 /nfs/dbraw/zinc/86/82/37/631868237.db2.gz PYIRDJJLOCNZEZ-UHFFFAOYSA-N 1 3 269.352 1.821 20 30 CDEDHO c1nncn1N=C1CC[NH+](CCc2ccccc2)CC1 ZINC000915932414 631868240 /nfs/dbraw/zinc/86/82/40/631868240.db2.gz PYIRDJJLOCNZEZ-UHFFFAOYSA-N 1 3 269.352 1.821 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000920458909 632782603 /nfs/dbraw/zinc/78/26/03/632782603.db2.gz MZGYOWKROAGOPS-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347757 1163649430 /nfs/dbraw/zinc/64/94/30/1163649430.db2.gz ZHJHCCYTALROPI-CABCVRRESA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846181 1163931756 /nfs/dbraw/zinc/93/17/56/1163931756.db2.gz VLJKSHYBZVDXJZ-ZIAGYGMSSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCC[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC001252617912 1164689172 /nfs/dbraw/zinc/68/91/72/1164689172.db2.gz ACCINGDMTKDCGM-OAHLLOKOSA-N 1 3 252.402 1.778 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C[C@@H]([NH3+])C1CC1 ZINC001574920971 1171050454 /nfs/dbraw/zinc/05/04/54/1171050454.db2.gz NNCBJSLLMOLHIR-CYBMUJFWSA-N 1 3 253.390 1.080 20 30 CDEDHO CNC[C@H](O)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001578653406 1171970981 /nfs/dbraw/zinc/97/09/81/1171970981.db2.gz XIPBOLBRAHRJRG-ZDUSSCGKSA-N 1 3 253.390 1.363 20 30 CDEDHO CNC[C@H](O)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001578653406 1171970987 /nfs/dbraw/zinc/97/09/87/1171970987.db2.gz XIPBOLBRAHRJRG-ZDUSSCGKSA-N 1 3 253.390 1.363 20 30 CDEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001713097113 1178366033 /nfs/dbraw/zinc/36/60/33/1178366033.db2.gz MAQRJKBRNOLXLV-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001753007263 1184992209 /nfs/dbraw/zinc/99/22/09/1184992209.db2.gz HMQXIZMCTQWKGP-CYBMUJFWSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C/C=C/Cl)CC1 ZINC001754254436 1185532356 /nfs/dbraw/zinc/53/23/56/1185532356.db2.gz BJWOTLMFQWPHSU-WXJAXGNASA-N 1 3 297.830 1.178 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001341584456 963473884 /nfs/dbraw/zinc/47/38/84/963473884.db2.gz FPAMVKCOQOBOSK-OLZOCXBDSA-N 1 3 253.390 1.223 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001752950797 1166985353 /nfs/dbraw/zinc/98/53/53/1166985353.db2.gz BDVSCDRFDQUBCD-CVEARBPZSA-N 1 3 293.455 1.733 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000303871222 837410211 /nfs/dbraw/zinc/41/02/11/837410211.db2.gz BOOTWYPITIFQGX-UONOGXRCSA-N 1 3 284.448 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830152 837167676 /nfs/dbraw/zinc/16/76/76/837167676.db2.gz QJBUTPQHIJLXHQ-JSGCOSHPSA-N 1 3 274.368 1.061 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830152 837167685 /nfs/dbraw/zinc/16/76/85/837167685.db2.gz QJBUTPQHIJLXHQ-JSGCOSHPSA-N 1 3 274.368 1.061 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537499 837257482 /nfs/dbraw/zinc/25/74/82/837257482.db2.gz MLQYIFOWRCDHLC-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537499 837257504 /nfs/dbraw/zinc/25/75/04/837257504.db2.gz MLQYIFOWRCDHLC-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480867 837933749 /nfs/dbraw/zinc/93/37/49/837933749.db2.gz GTLXNGCQCUJXOU-WCVJEAGWSA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480867 837933777 /nfs/dbraw/zinc/93/37/77/837933777.db2.gz GTLXNGCQCUJXOU-WCVJEAGWSA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035728237 839027463 /nfs/dbraw/zinc/02/74/63/839027463.db2.gz HYWAJGNTLSQBHI-HNNXBMFYSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027442318 840665418 /nfs/dbraw/zinc/66/54/18/840665418.db2.gz DESAPPUWDQCXTD-LSDHHAIUSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027442318 840665434 /nfs/dbraw/zinc/66/54/34/840665434.db2.gz DESAPPUWDQCXTD-LSDHHAIUSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998536311 840880261 /nfs/dbraw/zinc/88/02/61/840880261.db2.gz RFSQXUBUXWZIBW-JXQTWKCFSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014404457 841091786 /nfs/dbraw/zinc/09/17/86/841091786.db2.gz CVAXDWHSGQZVHX-CABCVRRESA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014404457 841091800 /nfs/dbraw/zinc/09/18/00/841091800.db2.gz CVAXDWHSGQZVHX-CABCVRRESA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014501288 841112642 /nfs/dbraw/zinc/11/26/42/841112642.db2.gz ITOWRURJJPHIDC-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014501288 841112646 /nfs/dbraw/zinc/11/26/46/841112646.db2.gz ITOWRURJJPHIDC-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444478 841163065 /nfs/dbraw/zinc/16/30/65/841163065.db2.gz CQHZRRGUMJXWER-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444478 841163085 /nfs/dbraw/zinc/16/30/85/841163085.db2.gz CQHZRRGUMJXWER-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796838 841843284 /nfs/dbraw/zinc/84/32/84/841843284.db2.gz PPHFJIJBVCFQKC-LDKKBFSKSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864476 842176892 /nfs/dbraw/zinc/17/68/92/842176892.db2.gz HAGUTNSJBOOGRV-GASCZTMLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864476 842176914 /nfs/dbraw/zinc/17/69/14/842176914.db2.gz HAGUTNSJBOOGRV-GASCZTMLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994247239 842352191 /nfs/dbraw/zinc/35/21/91/842352191.db2.gz CMKRGCDXOGDWTD-LSDHHAIUSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035783639 842384885 /nfs/dbraw/zinc/38/48/85/842384885.db2.gz HYWAJGNTLSQBHI-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646457 842738555 /nfs/dbraw/zinc/73/85/55/842738555.db2.gz KDUBZZJZJQSWRJ-BETUJISGSA-N 1 3 285.819 1.318 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000303874496 842884979 /nfs/dbraw/zinc/88/49/79/842884979.db2.gz HFTUINDCVQAGBS-GDBMZVCRSA-N 1 3 298.475 1.828 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999346325 842982959 /nfs/dbraw/zinc/98/29/59/842982959.db2.gz DMXRULKYLLRQOD-ZDUSSCGKSA-N 1 3 265.401 1.237 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495129 901523456 /nfs/dbraw/zinc/52/34/56/901523456.db2.gz JXFMGAXMLLPPAH-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092604294 909470815 /nfs/dbraw/zinc/47/08/15/909470815.db2.gz DUHLJDNXASMKEI-BZUAXINKSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092604294 909470821 /nfs/dbraw/zinc/47/08/21/909470821.db2.gz DUHLJDNXASMKEI-BZUAXINKSA-N 1 3 293.455 1.729 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698571 915585406 /nfs/dbraw/zinc/58/54/06/915585406.db2.gz MAZGKAOEZWPUAZ-MRXNPFEDSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185206796 919476740 /nfs/dbraw/zinc/47/67/40/919476740.db2.gz VYMOWCSBNOWCCA-QWHCGFSZSA-N 1 3 276.384 1.212 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190997130 922367638 /nfs/dbraw/zinc/36/76/38/922367638.db2.gz RHMPOPFGADVKHB-CQSZACIVSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190997130 922367651 /nfs/dbraw/zinc/36/76/51/922367651.db2.gz RHMPOPFGADVKHB-CQSZACIVSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194070706 924049659 /nfs/dbraw/zinc/04/96/59/924049659.db2.gz ANMKGZRQXQKTKV-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707467 924410385 /nfs/dbraw/zinc/41/03/85/924410385.db2.gz GPHZMFOKTGLAPP-FVQBIDKESA-N 1 3 291.439 1.341 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219915 936947312 /nfs/dbraw/zinc/94/73/12/936947312.db2.gz QIRLJRHVDCSKDJ-HNNXBMFYSA-N 1 3 291.439 1.653 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219915 936947313 /nfs/dbraw/zinc/94/73/13/936947313.db2.gz QIRLJRHVDCSKDJ-HNNXBMFYSA-N 1 3 291.439 1.653 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169099746 927703840 /nfs/dbraw/zinc/70/38/40/927703840.db2.gz USKCLOBFNQUIDX-CLLJXQQHSA-N 1 3 252.358 1.321 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146602333 932270781 /nfs/dbraw/zinc/27/07/81/932270781.db2.gz SDAURNZFMJAAPY-UONOGXRCSA-N 1 3 269.433 1.776 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038924663 935761695 /nfs/dbraw/zinc/76/16/95/935761695.db2.gz FAHFQSOQTONNTD-AWEZNQCLSA-N 1 3 277.412 1.239 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114394 938455914 /nfs/dbraw/zinc/45/59/14/938455914.db2.gz XBOXUYQEUDSIBJ-CQSZACIVSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114394 938455915 /nfs/dbraw/zinc/45/59/15/938455915.db2.gz XBOXUYQEUDSIBJ-CQSZACIVSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161231139 938881108 /nfs/dbraw/zinc/88/11/08/938881108.db2.gz PXFDPYRWMVOGGN-HNNXBMFYSA-N 1 3 279.428 1.651 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161231139 938881110 /nfs/dbraw/zinc/88/11/10/938881110.db2.gz PXFDPYRWMVOGGN-HNNXBMFYSA-N 1 3 279.428 1.651 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165810156 939578504 /nfs/dbraw/zinc/57/85/04/939578504.db2.gz XHDXRZZWIPUEEP-UHFFFAOYSA-N 1 3 293.455 1.616 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521344 939691064 /nfs/dbraw/zinc/69/10/64/939691064.db2.gz ITYBPIVLHIFUML-LSDHHAIUSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210229809 940673064 /nfs/dbraw/zinc/67/30/64/940673064.db2.gz SSBFKGYJIFQCPE-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210812277 940714811 /nfs/dbraw/zinc/71/48/11/940714811.db2.gz WAZKKMOPNUZILY-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001218871165 941282393 /nfs/dbraw/zinc/28/23/93/941282393.db2.gz HYZVSXWHIIBYLW-BXUZGUMPSA-N 1 3 284.363 1.061 20 30 CDEDHO C=CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001221361594 941522133 /nfs/dbraw/zinc/52/21/33/941522133.db2.gz XJJINHNPUHHPFJ-JFIYKMOQSA-N 1 3 299.418 1.619 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN(CC)CC)CC1 ZINC001224911375 941804949 /nfs/dbraw/zinc/80/49/49/941804949.db2.gz NHCFJEPZJXLONK-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001263149308 943764394 /nfs/dbraw/zinc/76/43/94/943764394.db2.gz APVGITATJLRIPK-RDBSUJKOSA-N 1 3 267.417 1.646 20 30 CDEDHO N#C[C@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001254657167 947574524 /nfs/dbraw/zinc/57/45/24/947574524.db2.gz OBSDBMOYNRNHPW-KBPBESRZSA-N 1 3 250.390 1.035 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001325371792 953868142 /nfs/dbraw/zinc/86/81/42/953868142.db2.gz LYHKRJRZXIAENF-ZDUSSCGKSA-N 1 3 282.432 1.324 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436390334 962231379 /nfs/dbraw/zinc/23/13/79/962231379.db2.gz MENNPTVLOFXMOW-JOCQHMNTSA-N 1 3 299.846 1.565 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001341764852 963535568 /nfs/dbraw/zinc/53/55/68/963535568.db2.gz KSDXHIWVKLXGGV-VOAKCMCISA-N 1 3 253.390 1.267 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001346237911 965006003 /nfs/dbraw/zinc/00/60/03/965006003.db2.gz SUJPLUNPDVFZNY-UHFFFAOYSA-N 1 3 293.798 1.823 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153466 1163182938 /nfs/dbraw/zinc/18/29/38/1163182938.db2.gz QWBNIZXMNMPNLZ-HUUCEWRRSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132153466 1163182945 /nfs/dbraw/zinc/18/29/45/1163182945.db2.gz QWBNIZXMNMPNLZ-HUUCEWRRSA-N 1 3 293.455 1.709 20 30 CDEDHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594438590 342906333 /nfs/dbraw/zinc/90/63/33/342906333.db2.gz KLLQTGCFDLDPPO-GJZGRUSLSA-N 1 3 294.443 1.588 20 30 CDEDHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000595936203 343201775 /nfs/dbraw/zinc/20/17/75/343201775.db2.gz NWZUDCHCWGIGHA-STQMWFEESA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000595936203 343201777 /nfs/dbraw/zinc/20/17/77/343201777.db2.gz NWZUDCHCWGIGHA-STQMWFEESA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946072 343205453 /nfs/dbraw/zinc/20/54/53/343205453.db2.gz QKPITFHWIBFMFB-UKRRQHHQSA-N 1 3 292.427 1.531 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595946072 343205454 /nfs/dbraw/zinc/20/54/54/343205454.db2.gz QKPITFHWIBFMFB-UKRRQHHQSA-N 1 3 292.427 1.531 20 30 CDEDHO C[C@H](CCC#N)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000602654650 344517729 /nfs/dbraw/zinc/51/77/29/344517729.db2.gz ILIXMERHQMZYNB-CQSZACIVSA-N 1 3 266.433 1.542 20 30 CDEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000611391505 346776022 /nfs/dbraw/zinc/77/60/22/346776022.db2.gz JAZDEWDHJXCZMD-SJLPKXTDSA-N 1 3 299.418 1.982 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000165202108 363628342 /nfs/dbraw/zinc/62/83/42/363628342.db2.gz GALYERVWTPYFOI-GJZGRUSLSA-N 1 3 279.428 1.411 20 30 CDEDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092799488 360285684 /nfs/dbraw/zinc/28/56/84/360285684.db2.gz IGSFTOGLEYBGJZ-CQSZACIVSA-N 1 3 280.416 1.022 20 30 CDEDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092799488 360285688 /nfs/dbraw/zinc/28/56/88/360285688.db2.gz IGSFTOGLEYBGJZ-CQSZACIVSA-N 1 3 280.416 1.022 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661231283 1172357167 /nfs/dbraw/zinc/35/71/67/1172357167.db2.gz HQZVIAOIUCACQV-HZPDHXFCSA-N 1 3 295.471 1.929 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661231283 1172357175 /nfs/dbraw/zinc/35/71/75/1172357175.db2.gz HQZVIAOIUCACQV-HZPDHXFCSA-N 1 3 295.471 1.929 20 30 CDEDHO C#CCNC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123460214 368155906 /nfs/dbraw/zinc/15/59/06/368155906.db2.gz PEYKXZPDJBOTGQ-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000578489577 372478846 /nfs/dbraw/zinc/47/88/46/372478846.db2.gz GELRCUYVCBXPKX-UHFFFAOYSA-N 1 3 296.459 1.714 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000491296330 261403051 /nfs/dbraw/zinc/40/30/51/261403051.db2.gz LEJJVROITNQAQW-UHFFFAOYSA-N 1 3 294.443 1.067 20 30 CDEDHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000414911951 374221912 /nfs/dbraw/zinc/22/19/12/374221912.db2.gz HKFAMGPBDGHXGM-KGLIPLIRSA-N 1 3 259.353 1.926 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000245628373 376121048 /nfs/dbraw/zinc/12/10/48/376121048.db2.gz ZDAUXIONFLGWHY-GJZGRUSLSA-N 1 3 252.402 1.736 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417536984 377900226 /nfs/dbraw/zinc/90/02/26/377900226.db2.gz ZAINTCSXYREPHO-UHFFFAOYSA-N 1 3 282.432 1.263 20 30 CDEDHO C#CCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373076841 391104556 /nfs/dbraw/zinc/10/45/56/391104556.db2.gz WPBLXWSTAZGGMG-KBPBESRZSA-N 1 3 250.386 1.441 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000339059096 391248517 /nfs/dbraw/zinc/24/85/17/391248517.db2.gz FMUGCSUMZDGHED-VQHPVUNQSA-N 1 3 290.455 1.636 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976127 391372678 /nfs/dbraw/zinc/37/26/78/391372678.db2.gz KKHOCVCZNHQUJP-RRFJBIMHSA-N 1 3 279.428 1.389 20 30 CDEDHO C#CCN(CC#C)CCCCC[NH+](CC#C)CC#C ZINC000072906723 391545015 /nfs/dbraw/zinc/54/50/15/391545015.db2.gz QKZGYHURPKOJKW-UHFFFAOYSA-N 1 3 254.377 1.294 20 30 CDEDHO CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)N(C)C ZINC000413229736 391720352 /nfs/dbraw/zinc/72/03/52/391720352.db2.gz KOXIFEYVBIPUBE-ZDUSSCGKSA-N 1 3 268.405 1.021 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417534261 264422672 /nfs/dbraw/zinc/42/26/72/264422672.db2.gz VUYFUDPITAACGX-ZIAGYGMSSA-N 1 3 294.443 1.324 20 30 CDEDHO CC(C#N)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000356471437 266121250 /nfs/dbraw/zinc/12/12/50/266121250.db2.gz HKLGBWVIVKAHCK-LBPRGKRZSA-N 1 3 290.367 1.188 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000334905655 277775549 /nfs/dbraw/zinc/77/55/49/277775549.db2.gz DKFIFNYTCKTCBL-HIFRSBDPSA-N 1 3 292.427 1.030 20 30 CDEDHO CN1CC[NH+]=C1NCCCN1CCc2ccccc2C1 ZINC000284914437 328246907 /nfs/dbraw/zinc/24/69/07/328246907.db2.gz BHKIKMKNDJPUTQ-UHFFFAOYSA-N 1 3 272.396 1.326 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000171740631 329079843 /nfs/dbraw/zinc/07/98/43/329079843.db2.gz AYDXHUODPHNMJK-OAHLLOKOSA-N 1 3 294.443 1.372 20 30 CDEDHO [NH2+]=C(NC[C@H]1CCCN1C1CCCCC1)N1CCOCC1 ZINC000262836025 330035038 /nfs/dbraw/zinc/03/50/38/330035038.db2.gz SKQOHODHUOONPR-OAHLLOKOSA-N 1 3 294.443 1.430 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C(C)C ZINC000263101280 330043734 /nfs/dbraw/zinc/04/37/34/330043734.db2.gz KACGMDWXDMYDAO-RWMBFGLXSA-N 1 3 252.406 1.420 20 30 CDEDHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424056885 330218509 /nfs/dbraw/zinc/21/85/09/330218509.db2.gz IQGRGUZZMQIXHZ-ZDUSSCGKSA-N 1 3 260.341 1.366 20 30 CDEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424137731 330274874 /nfs/dbraw/zinc/27/48/74/330274874.db2.gz SLFAGGZTKKLQCU-ZNMIVQPWSA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424137731 330274875 /nfs/dbraw/zinc/27/48/75/330274875.db2.gz SLFAGGZTKKLQCU-ZNMIVQPWSA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424154803 330301898 /nfs/dbraw/zinc/30/18/98/330301898.db2.gz MAMDFRWZTQAJGN-KGLIPLIRSA-N 1 3 294.443 1.634 20 30 CDEDHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424154803 330301899 /nfs/dbraw/zinc/30/18/99/330301899.db2.gz MAMDFRWZTQAJGN-KGLIPLIRSA-N 1 3 294.443 1.634 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491692042 332288579 /nfs/dbraw/zinc/28/85/79/332288579.db2.gz HPKIWWXIDNGPEX-LSDHHAIUSA-N 1 3 294.443 1.066 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491692042 332288580 /nfs/dbraw/zinc/28/85/80/332288580.db2.gz HPKIWWXIDNGPEX-LSDHHAIUSA-N 1 3 294.443 1.066 20 30 CDEDHO C=C(C)CN(C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001753855952 1159925787 /nfs/dbraw/zinc/92/57/87/1159925787.db2.gz ORQYWCYNKISYCI-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000764608139 575925329 /nfs/dbraw/zinc/92/53/29/575925329.db2.gz BNURSJFPZCNCRK-QWHCGFSZSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972330744 613288710 /nfs/dbraw/zinc/28/87/10/613288710.db2.gz GWVXULQWOKLZLF-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972330744 613288711 /nfs/dbraw/zinc/28/87/11/613288711.db2.gz GWVXULQWOKLZLF-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365698 613298496 /nfs/dbraw/zinc/29/84/96/613298496.db2.gz FASBVXXOAZDPJH-CYBMUJFWSA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947934266 613577095 /nfs/dbraw/zinc/57/70/95/613577095.db2.gz JWOBCHABAFALTF-HUUCEWRRSA-N 1 3 289.423 1.075 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947934265 613596229 /nfs/dbraw/zinc/59/62/29/613596229.db2.gz JWOBCHABAFALTF-GJZGRUSLSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012295 613678236 /nfs/dbraw/zinc/67/82/36/613678236.db2.gz UZIHAVNKRYOTLD-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012295 613678237 /nfs/dbraw/zinc/67/82/37/613678237.db2.gz UZIHAVNKRYOTLD-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000911685952 629415746 /nfs/dbraw/zinc/41/57/46/629415746.db2.gz WRUOKBKKEOGAOB-RWMBFGLXSA-N 1 3 253.390 1.398 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362895 1158822977 /nfs/dbraw/zinc/82/29/77/1158822977.db2.gz OIGKOCIQUYPHFH-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001752901434 1184957229 /nfs/dbraw/zinc/95/72/29/1184957229.db2.gz QLCGVWLJZMLWGR-DOMZBBRYSA-N 1 3 285.407 1.479 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001753437044 1185206782 /nfs/dbraw/zinc/20/67/82/1185206782.db2.gz RICOCOYAVDIONG-CABCVRRESA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001753437044 1185206785 /nfs/dbraw/zinc/20/67/85/1185206785.db2.gz RICOCOYAVDIONG-CABCVRRESA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001753756094 1185329612 /nfs/dbraw/zinc/32/96/12/1185329612.db2.gz ZRFXMVNJAQBOBB-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001754000117 1185423068 /nfs/dbraw/zinc/42/30/68/1185423068.db2.gz UHWWYGBGNNSRMV-CABCVRRESA-N 1 3 281.444 1.779 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001755165953 1185838173 /nfs/dbraw/zinc/83/81/73/1185838173.db2.gz UQYUBBJLTDDNOV-ZIAGYGMSSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001755165953 1185838181 /nfs/dbraw/zinc/83/81/81/1185838181.db2.gz UQYUBBJLTDDNOV-ZIAGYGMSSA-N 1 3 267.417 1.482 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCO[C@@H](C)C1 ZINC000261999260 844807160 /nfs/dbraw/zinc/80/71/60/844807160.db2.gz PARVPVRQSXGELU-BFHYXJOUSA-N 1 3 282.432 1.190 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139785 844383250 /nfs/dbraw/zinc/38/32/50/844383250.db2.gz SRNTXFWEVZDQMZ-LEOABGAYSA-N 1 3 291.439 1.339 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018966875 843282495 /nfs/dbraw/zinc/28/24/95/843282495.db2.gz VXWZQALGCSCOFV-GJZGRUSLSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018966875 843282515 /nfs/dbraw/zinc/28/25/15/843282515.db2.gz VXWZQALGCSCOFV-GJZGRUSLSA-N 1 3 277.412 1.073 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038392955 844672953 /nfs/dbraw/zinc/67/29/53/844672953.db2.gz FIIMSJRXTNOAGU-HNNXBMFYSA-N 1 3 291.439 1.629 20 30 CDEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018266463 845779325 /nfs/dbraw/zinc/77/93/25/845779325.db2.gz PEKUMPYVTJWJNV-HRCADAONSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018266463 845779331 /nfs/dbraw/zinc/77/93/31/845779331.db2.gz PEKUMPYVTJWJNV-HRCADAONSA-N 1 3 291.439 1.580 20 30 CDEDHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688992 845813024 /nfs/dbraw/zinc/81/30/24/845813024.db2.gz ZEGMSYMLDUHCGT-RDJZCZTQSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688992 845813028 /nfs/dbraw/zinc/81/30/28/845813028.db2.gz ZEGMSYMLDUHCGT-RDJZCZTQSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038265013 846150020 /nfs/dbraw/zinc/15/00/20/846150020.db2.gz GBXVGPMZOJNFSV-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038265013 846150022 /nfs/dbraw/zinc/15/00/22/846150022.db2.gz GBXVGPMZOJNFSV-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001143371 846478059 /nfs/dbraw/zinc/47/80/59/846478059.db2.gz GNARXALMYJSOOJ-UKRRQHHQSA-N 1 3 277.412 1.118 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001143371 846478062 /nfs/dbraw/zinc/47/80/62/846478062.db2.gz GNARXALMYJSOOJ-UKRRQHHQSA-N 1 3 277.412 1.118 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072833145 846926912 /nfs/dbraw/zinc/92/69/12/846926912.db2.gz ZWSQFNRNNMSRNO-HNNXBMFYSA-N 1 3 291.439 1.130 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CC)CC1 ZINC000304802199 847314704 /nfs/dbraw/zinc/31/47/04/847314704.db2.gz PGVBJHZVMYKFQU-GFCCVEGCSA-N 1 3 252.406 1.565 20 30 CDEDHO C#CC[C@@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000886357436 847324461 /nfs/dbraw/zinc/32/44/61/847324461.db2.gz GXCWPOUBUVRKGY-OAHLLOKOSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041139476 847526051 /nfs/dbraw/zinc/52/60/51/847526051.db2.gz GZZULNQMZBTYOY-RDJZCZTQSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041139476 847526062 /nfs/dbraw/zinc/52/60/62/847526062.db2.gz GZZULNQMZBTYOY-RDJZCZTQSA-N 1 3 289.423 1.028 20 30 CDEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266352640 894517639 /nfs/dbraw/zinc/51/76/39/894517639.db2.gz FHJMYNZSMYBTEN-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266352640 894517648 /nfs/dbraw/zinc/51/76/48/894517648.db2.gz FHJMYNZSMYBTEN-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267067088 896675319 /nfs/dbraw/zinc/67/53/19/896675319.db2.gz NGIXNRFCZLBLJO-CABCVRRESA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655044 897208071 /nfs/dbraw/zinc/20/80/71/897208071.db2.gz CPXJWSJJVMFVBX-UHFFFAOYSA-N 1 3 287.835 1.567 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980845 914416206 /nfs/dbraw/zinc/41/62/06/914416206.db2.gz SKQOXWVNKDTAKH-UHFFFAOYSA-N 1 3 261.797 1.175 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001095007967 912155495 /nfs/dbraw/zinc/15/54/95/912155495.db2.gz YOHNDAFSCMFRIX-YDHLFZDLSA-N 1 3 288.395 1.497 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107550727 918446983 /nfs/dbraw/zinc/44/69/83/918446983.db2.gz LAXFGTUNHJWGOA-ZMSDIMECSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107550727 918446994 /nfs/dbraw/zinc/44/69/94/918446994.db2.gz LAXFGTUNHJWGOA-ZMSDIMECSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C1CC(C)(C(=O)N(CCN(CC)CC)C(N)=[NH2+])C1 ZINC001184795557 919283045 /nfs/dbraw/zinc/28/30/45/919283045.db2.gz ZSVRGYWEUNDUIS-UHFFFAOYSA-N 1 3 266.389 1.407 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188125024 920845530 /nfs/dbraw/zinc/84/55/30/920845530.db2.gz IZRYFPKLDHILIS-MRXNPFEDSA-N 1 3 299.418 1.576 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085196930 924383294 /nfs/dbraw/zinc/38/32/94/924383294.db2.gz VDQDEDPJQNTOOI-BZUAXINKSA-N 1 3 291.439 1.509 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC(CC)CC)CC1 ZINC001152330712 925115244 /nfs/dbraw/zinc/11/52/44/925115244.db2.gz TVLGUAFDQHTOAM-UHFFFAOYSA-N 1 3 293.455 1.474 20 30 CDEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443712 936972270 /nfs/dbraw/zinc/97/22/70/936972270.db2.gz PDUQAEFWSKKLRM-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443712 936972272 /nfs/dbraw/zinc/97/22/72/936972272.db2.gz PDUQAEFWSKKLRM-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO CC#CC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152383940 925304901 /nfs/dbraw/zinc/30/49/01/925304901.db2.gz NWJYEXMLEBMVTB-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085024991 925585993 /nfs/dbraw/zinc/58/59/93/925585993.db2.gz UCWDHKXFIKEMDR-OWCLPIDISA-N 1 3 293.455 1.681 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085024991 925585999 /nfs/dbraw/zinc/58/59/99/925585999.db2.gz UCWDHKXFIKEMDR-OWCLPIDISA-N 1 3 293.455 1.681 20 30 CDEDHO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701341 926301979 /nfs/dbraw/zinc/30/19/79/926301979.db2.gz MOBQJANWGDGEPP-HNNXBMFYSA-N 1 3 296.374 1.504 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701341 926301986 /nfs/dbraw/zinc/30/19/86/926301986.db2.gz MOBQJANWGDGEPP-HNNXBMFYSA-N 1 3 296.374 1.504 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353709 926542477 /nfs/dbraw/zinc/54/24/77/926542477.db2.gz RPVSXQNXOJOLJQ-OAHLLOKOSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCN1CCC[C@H]1C[NH2+]C1CCN(CC)CC1 ZINC001169239293 927871536 /nfs/dbraw/zinc/87/15/36/927871536.db2.gz XQSHWMVRPRZQQA-HNNXBMFYSA-N 1 3 251.418 1.711 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031226 930610366 /nfs/dbraw/zinc/61/03/66/930610366.db2.gz HPUZETQEPOBALV-NEPJUHHUSA-N 1 3 276.384 1.157 20 30 CDEDHO CCCCCCCC[C@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021975 930871107 /nfs/dbraw/zinc/87/11/07/930871107.db2.gz NXGKSOJWPGLHAJ-KKUMJFAQSA-N 1 3 272.433 1.349 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819133 937473786 /nfs/dbraw/zinc/47/37/86/937473786.db2.gz PDGZHBDCDVQNCI-CVEARBPZSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819133 937473790 /nfs/dbraw/zinc/47/37/90/937473790.db2.gz PDGZHBDCDVQNCI-CVEARBPZSA-N 1 3 293.455 1.709 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841658 935015192 /nfs/dbraw/zinc/01/51/92/935015192.db2.gz ZRNKZLAKHSOIHB-FOLVSLTJSA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841658 935015199 /nfs/dbraw/zinc/01/51/99/935015199.db2.gz ZRNKZLAKHSOIHB-FOLVSLTJSA-N 1 3 293.455 1.587 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001253577717 935236208 /nfs/dbraw/zinc/23/62/08/935236208.db2.gz YBMGQLRIUSKAQH-MCIONIFRSA-N 1 3 278.421 1.659 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001121930600 937891535 /nfs/dbraw/zinc/89/15/35/937891535.db2.gz NTGRJBCEMWAOFL-GJZGRUSLSA-N 1 3 279.428 1.661 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc(C#N)c(C)n1 ZINC001163129012 939207919 /nfs/dbraw/zinc/20/79/19/939207919.db2.gz RPJAARRRNBLANK-UHFFFAOYSA-N 1 3 274.372 1.540 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223455 939229257 /nfs/dbraw/zinc/22/92/57/939229257.db2.gz ISBKFLQVKIGKGO-CQSZACIVSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956527 945264008 /nfs/dbraw/zinc/26/40/08/945264008.db2.gz FZFLXPIJWPQEJF-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956527 945264015 /nfs/dbraw/zinc/26/40/15/945264015.db2.gz FZFLXPIJWPQEJF-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203520000 939690641 /nfs/dbraw/zinc/69/06/41/939690641.db2.gz CJEUBHFYADEVNX-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523292 939690797 /nfs/dbraw/zinc/69/07/97/939690797.db2.gz QEEYNJZLHZIFDU-HUUCEWRRSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523290 939690844 /nfs/dbraw/zinc/69/08/44/939690844.db2.gz QEEYNJZLHZIFDU-GJZGRUSLSA-N 1 3 293.455 1.921 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205519049 939896154 /nfs/dbraw/zinc/89/61/54/939896154.db2.gz SRFOKAGEXKMBCG-OAHLLOKOSA-N 1 3 279.428 1.178 20 30 CDEDHO C[C@@H]1CCN(Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001205639234 939911253 /nfs/dbraw/zinc/91/12/53/939911253.db2.gz XTVDMXVEOPLQEO-OCCSQVGLSA-N 1 3 258.369 1.760 20 30 CDEDHO N#CCOc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206166462 939989567 /nfs/dbraw/zinc/98/95/67/939989567.db2.gz SNWZCNQBSWXULE-GJZGRUSLSA-N 1 3 277.343 1.850 20 30 CDEDHO N#CCOc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206166462 939989569 /nfs/dbraw/zinc/98/95/69/939989569.db2.gz SNWZCNQBSWXULE-GJZGRUSLSA-N 1 3 277.343 1.850 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210314690 940682445 /nfs/dbraw/zinc/68/24/45/940682445.db2.gz JGQQYQQFWXWEGO-DZGCQCFKSA-N 1 3 264.369 1.017 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540595 940893204 /nfs/dbraw/zinc/89/32/04/940893204.db2.gz NJOABZSHQRNPMW-ARFHVFGLSA-N 1 3 293.455 1.731 20 30 CDEDHO C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001218955283 941292956 /nfs/dbraw/zinc/29/29/56/941292956.db2.gz YZPLRAUJCYAJBD-ZDUSSCGKSA-N 1 3 290.367 1.262 20 30 CDEDHO COc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219109922 941309074 /nfs/dbraw/zinc/30/90/74/941309074.db2.gz HOFSJSPFCPTMPY-NSHDSACASA-N 1 3 294.330 1.101 20 30 CDEDHO C#Cc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1F ZINC001219383744 941338505 /nfs/dbraw/zinc/33/85/05/941338505.db2.gz BEWYDUOSPBKEMK-ZDUSSCGKSA-N 1 3 263.316 1.202 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227038576 942119647 /nfs/dbraw/zinc/11/96/47/942119647.db2.gz HACRIEQFQUGFGH-RBSFLKMASA-N 1 3 281.444 1.920 20 30 CDEDHO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001255162745 947758952 /nfs/dbraw/zinc/75/89/52/947758952.db2.gz YADMDMRAFFSAII-KKUMJFAQSA-N 1 3 265.401 1.912 20 30 CDEDHO C=C[C@@](C)(O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252579659 951471484 /nfs/dbraw/zinc/47/14/84/951471484.db2.gz NWWCPYGJQQPRHP-QGZVFWFLSA-N 1 3 289.423 1.820 20 30 CDEDHO C=CCC[C@@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001252619901 951511085 /nfs/dbraw/zinc/51/10/85/951511085.db2.gz PEYWLQDKKKPJMI-QGZVFWFLSA-N 1 3 296.455 1.794 20 30 CDEDHO C=CCC[C@@H](O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001252619901 951511093 /nfs/dbraw/zinc/51/10/93/951511093.db2.gz PEYWLQDKKKPJMI-QGZVFWFLSA-N 1 3 296.455 1.794 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601558 963480458 /nfs/dbraw/zinc/48/04/58/963480458.db2.gz WXIZLPDIJGTMNX-LSDHHAIUSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001341601558 963480461 /nfs/dbraw/zinc/48/04/61/963480461.db2.gz WXIZLPDIJGTMNX-LSDHHAIUSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC001341632492 963490919 /nfs/dbraw/zinc/49/09/19/963490919.db2.gz VWMYFQQZZFXYTQ-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC001341632492 963490922 /nfs/dbraw/zinc/49/09/22/963490922.db2.gz VWMYFQQZZFXYTQ-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100457341 968409862 /nfs/dbraw/zinc/40/98/62/968409862.db2.gz ZBDKLZPYILCIMG-UHFFFAOYSA-N 1 3 281.444 1.777 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678761 968932708 /nfs/dbraw/zinc/93/27/08/968932708.db2.gz VYJMKKMYSDDKBZ-QQFBHYJXSA-N 1 3 293.455 1.779 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418348417 973759390 /nfs/dbraw/zinc/75/93/90/973759390.db2.gz ZRDGZJFXGAVXFN-ZDUSSCGKSA-N 1 3 299.846 1.661 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001502135665 974702291 /nfs/dbraw/zinc/70/22/91/974702291.db2.gz OTRVSALTVLECBC-HUUCEWRRSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000592313347 342684428 /nfs/dbraw/zinc/68/44/28/342684428.db2.gz DSTZYIKFOPVDLM-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000592313347 342684430 /nfs/dbraw/zinc/68/44/30/342684430.db2.gz DSTZYIKFOPVDLM-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO N#Cc1ccc(CCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000595892190 343182267 /nfs/dbraw/zinc/18/22/67/343182267.db2.gz LVWLEMSOEOPSKT-QGZVFWFLSA-N 1 3 284.407 1.080 20 30 CDEDHO C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CN1CCCCC1 ZINC000598721133 343883546 /nfs/dbraw/zinc/88/35/46/343883546.db2.gz SQGCEYKYFVFIIM-LSDHHAIUSA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@@H](CNC[C@H](O)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000598721133 343883549 /nfs/dbraw/zinc/88/35/49/343883549.db2.gz SQGCEYKYFVFIIM-LSDHHAIUSA-N 1 3 281.444 1.999 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)C(C)C)CC1 ZINC000068080229 347559552 /nfs/dbraw/zinc/55/95/52/347559552.db2.gz YKEKBZIRUQJOII-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C)C(C)C)CC1 ZINC000068080229 347559558 /nfs/dbraw/zinc/55/95/58/347559558.db2.gz YKEKBZIRUQJOII-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO N#Cc1cccc(CNCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000602554257 350125329 /nfs/dbraw/zinc/12/53/29/350125329.db2.gz ZRPGMEGLUKPQQV-INIZCTEOSA-N 1 3 288.395 1.280 20 30 CDEDHO N#Cc1cccc(CNCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000602554257 350125331 /nfs/dbraw/zinc/12/53/31/350125331.db2.gz ZRPGMEGLUKPQQV-INIZCTEOSA-N 1 3 288.395 1.280 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621646458 350688825 /nfs/dbraw/zinc/68/88/25/350688825.db2.gz WNHXSGALFOZHTA-CQSZACIVSA-N 1 3 279.428 1.533 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000248199466 361310653 /nfs/dbraw/zinc/31/06/53/361310653.db2.gz YEFCDBLZKVVCDS-GOEBONIOSA-N 1 3 265.445 1.957 20 30 CDEDHO C[C@@H]1C[N@H+](CCCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374326651 370688703 /nfs/dbraw/zinc/68/87/03/370688703.db2.gz UAGCAAKEVJCVLG-CABCVRRESA-N 1 3 264.417 1.248 20 30 CDEDHO C[C@@H]1C[N@@H+](CCCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374326651 370688708 /nfs/dbraw/zinc/68/87/08/370688708.db2.gz UAGCAAKEVJCVLG-CABCVRRESA-N 1 3 264.417 1.248 20 30 CDEDHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(C#N)o3)C2)CC1 ZINC000369672723 374360277 /nfs/dbraw/zinc/36/02/77/374360277.db2.gz SAEOTCRZJZIKCN-CYBMUJFWSA-N 1 3 288.395 1.409 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1ccccc1 ZINC000267474115 391197374 /nfs/dbraw/zinc/19/73/74/391197374.db2.gz YRTZPBKFFFBPPP-MRXNPFEDSA-N 1 3 284.407 1.427 20 30 CDEDHO CCN1CCN(CCCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442724358 391747995 /nfs/dbraw/zinc/74/79/95/391747995.db2.gz ZHCQOTVYWMMBRQ-HOTGVXAUSA-N 1 3 278.444 1.686 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCc2cccc(OCCN(C)C)c2)N1 ZINC000262420374 391783251 /nfs/dbraw/zinc/78/32/51/391783251.db2.gz BDFFOFYATDGJFJ-GFCCVEGCSA-N 1 3 276.384 1.064 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662720584 413377913 /nfs/dbraw/zinc/37/79/13/413377913.db2.gz AZQUVYSQLKNHIG-ZDUSSCGKSA-N 1 3 265.401 1.141 20 30 CDEDHO CCNC(=[NH2+])NCCc1ccc(OCCN(C)C)cc1 ZINC000264321064 262887508 /nfs/dbraw/zinc/88/75/08/262887508.db2.gz XSLLLCVNRWLBIY-UHFFFAOYSA-N 1 3 278.400 1.094 20 30 CDEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414705117 263033442 /nfs/dbraw/zinc/03/34/42/263033442.db2.gz NOGDSQAFTWMZPD-OAHLLOKOSA-N 1 3 281.444 1.862 20 30 CDEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414705117 263033443 /nfs/dbraw/zinc/03/34/43/263033443.db2.gz NOGDSQAFTWMZPD-OAHLLOKOSA-N 1 3 281.444 1.862 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)C(C)C ZINC000165201382 264210541 /nfs/dbraw/zinc/21/05/41/264210541.db2.gz VXBONYRNEWTCNJ-CVEARBPZSA-N 1 3 293.455 1.943 20 30 CDEDHO CC1(C)CCCN1CCNC(=[NH2+])Nc1ccccn1 ZINC000263034994 330039984 /nfs/dbraw/zinc/03/99/84/330039984.db2.gz BRGITSDNWHOLAH-UHFFFAOYSA-N 1 3 261.373 1.683 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423096585 330169826 /nfs/dbraw/zinc/16/98/26/330169826.db2.gz PMIDPIKGNVJGON-YJNKXOJESA-N 1 3 252.402 1.945 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000490590345 332093788 /nfs/dbraw/zinc/09/37/88/332093788.db2.gz QSROJDROBFIOKB-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000490590345 332093789 /nfs/dbraw/zinc/09/37/89/332093789.db2.gz QSROJDROBFIOKB-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001731651611 1159321070 /nfs/dbraw/zinc/32/10/70/1159321070.db2.gz GCSNMDCRAJQNFP-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339478 1161145696 /nfs/dbraw/zinc/14/56/96/1161145696.db2.gz NVRHWLKHPOFXCY-ZIAGYGMSSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001755324458 1185917756 /nfs/dbraw/zinc/91/77/56/1185917756.db2.gz MIPQFYWKKPTULR-NSHDSACASA-N 1 3 264.373 1.273 20 30 CDEDHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001755324458 1185917763 /nfs/dbraw/zinc/91/77/63/1185917763.db2.gz MIPQFYWKKPTULR-NSHDSACASA-N 1 3 264.373 1.273 20 30 CDEDHO C#CCOCCN[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000753768832 576858601 /nfs/dbraw/zinc/85/86/01/576858601.db2.gz NIXYRKNTMJFZNY-HZPDHXFCSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCOCCN[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000753768832 576858602 /nfs/dbraw/zinc/85/86/02/576858602.db2.gz NIXYRKNTMJFZNY-HZPDHXFCSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000755235216 576937218 /nfs/dbraw/zinc/93/72/18/576937218.db2.gz HRBCDSNJBKXUHI-UHFFFAOYSA-N 1 3 277.456 1.749 20 30 CDEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784749 613305540 /nfs/dbraw/zinc/30/55/40/613305540.db2.gz RXRDZEXXZNMQEK-XHSDSOJGSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784749 613305541 /nfs/dbraw/zinc/30/55/41/613305541.db2.gz RXRDZEXXZNMQEK-XHSDSOJGSA-N 1 3 291.439 1.130 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944444613 613521008 /nfs/dbraw/zinc/52/10/08/613521008.db2.gz KUQBZJBISDLEMF-GXTWGEPZSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](C)C1 ZINC000944444613 613521010 /nfs/dbraw/zinc/52/10/10/613521010.db2.gz KUQBZJBISDLEMF-GXTWGEPZSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265875 613735666 /nfs/dbraw/zinc/73/56/66/613735666.db2.gz XVNVTUDWCUEVBI-CZUORRHYSA-N 1 3 298.390 1.961 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265875 613735667 /nfs/dbraw/zinc/73/56/67/613735667.db2.gz XVNVTUDWCUEVBI-CZUORRHYSA-N 1 3 298.390 1.961 20 30 CDEDHO C#CCOCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925746 617732387 /nfs/dbraw/zinc/73/23/87/617732387.db2.gz AAFHMMSLGVFHFB-LSDHHAIUSA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925746 617732395 /nfs/dbraw/zinc/73/23/95/617732395.db2.gz AAFHMMSLGVFHFB-LSDHHAIUSA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000851925746 617732400 /nfs/dbraw/zinc/73/24/00/617732400.db2.gz AAFHMMSLGVFHFB-LSDHHAIUSA-N 1 3 264.413 1.879 20 30 CDEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924967048 618484607 /nfs/dbraw/zinc/48/46/07/618484607.db2.gz WAJITRRFYWPBDK-UONOGXRCSA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000924967048 618484610 /nfs/dbraw/zinc/48/46/10/618484610.db2.gz WAJITRRFYWPBDK-UONOGXRCSA-N 1 3 294.443 1.492 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911880103 629606869 /nfs/dbraw/zinc/60/68/69/629606869.db2.gz RDIKGXJINNUIEL-CABCVRRESA-N 1 3 298.475 1.166 20 30 CDEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536310 1160315335 /nfs/dbraw/zinc/31/53/35/1160315335.db2.gz BRIFKPHZHJYOFC-BBRMVZONSA-N 1 3 288.395 1.357 20 30 CDEDHO CC#CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001723181020 1181524466 /nfs/dbraw/zinc/52/44/66/1181524466.db2.gz DWNCLHAULVPGRL-CQSZACIVSA-N 1 3 267.417 1.034 20 30 CDEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842206 1184929432 /nfs/dbraw/zinc/92/94/32/1184929432.db2.gz VSLFQJHLSRRXSU-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001753845212 1185354845 /nfs/dbraw/zinc/35/48/45/1185354845.db2.gz WXNCNJSDEIAWHX-CQSZACIVSA-N 1 3 278.400 1.567 20 30 CDEDHO C=CCN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754336410 1185586855 /nfs/dbraw/zinc/58/68/55/1185586855.db2.gz LJAULQRYCMLALN-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026194 697770735 /nfs/dbraw/zinc/77/07/35/697770735.db2.gz AINWTIWLQBBKFQ-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026194 697770747 /nfs/dbraw/zinc/77/07/47/697770747.db2.gz AINWTIWLQBBKFQ-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999402126 697990661 /nfs/dbraw/zinc/99/06/61/697990661.db2.gz DSHANQSDPVEJIH-LMWSTFAQSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999402126 697990662 /nfs/dbraw/zinc/99/06/62/697990662.db2.gz DSHANQSDPVEJIH-LMWSTFAQSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC000995952666 697992162 /nfs/dbraw/zinc/99/21/62/697992162.db2.gz RUFHBCOHDZRKAY-KGLIPLIRSA-N 1 3 281.444 1.729 20 30 CDEDHO N#Cc1ccc([C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000818945451 698057209 /nfs/dbraw/zinc/05/72/09/698057209.db2.gz GMHBBFVBTVZEJL-KRWDZBQOSA-N 1 3 285.391 1.808 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000303890231 698123181 /nfs/dbraw/zinc/12/31/81/698123181.db2.gz MMAZAAJMKOZLCE-CHWSQXEVSA-N 1 3 254.422 1.906 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001037847581 698241016 /nfs/dbraw/zinc/24/10/16/698241016.db2.gz AMBZNZKABLQYJB-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233346 698306184 /nfs/dbraw/zinc/30/61/84/698306184.db2.gz MMWDYFILBCWLNO-XHSDSOJGSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233346 698306188 /nfs/dbraw/zinc/30/61/88/698306188.db2.gz MMWDYFILBCWLNO-XHSDSOJGSA-N 1 3 291.439 1.437 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1F ZINC000130590720 698359182 /nfs/dbraw/zinc/35/91/82/698359182.db2.gz ZUHGKSDUGYBHQC-LLVKDONJSA-N 1 3 279.363 1.109 20 30 CDEDHO Cc1cc(CN2CCC(O)(C[NH+](C)C)CC2)ccc1C#N ZINC000931481044 698580488 /nfs/dbraw/zinc/58/04/88/698580488.db2.gz BRIYECLPIZFKDC-UHFFFAOYSA-N 1 3 287.407 1.755 20 30 CDEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000303888188 698765570 /nfs/dbraw/zinc/76/55/70/698765570.db2.gz OTBQWKZZRWVNFD-AWEZNQCLSA-N 1 3 282.432 1.288 20 30 CDEDHO C#CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050544706 698851982 /nfs/dbraw/zinc/85/19/82/698851982.db2.gz UJQNSTAOXWKXMT-UHFFFAOYSA-N 1 3 289.423 1.028 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NCC1CCC1)N1CCC[C@H](C)C1 ZINC000104168012 698918869 /nfs/dbraw/zinc/91/88/69/698918869.db2.gz HFPCKEBIPVOMRW-STQMWFEESA-N 1 3 266.433 1.811 20 30 CDEDHO CCOC1CC(CCNC(=[NH2+])NC[C@H]2CCCN2CC)C1 ZINC000190136747 699005365 /nfs/dbraw/zinc/00/53/65/699005365.db2.gz PLEXRFSVFGEVNK-SHARSMKWSA-N 1 3 296.459 1.580 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000986956094 704808126 /nfs/dbraw/zinc/80/81/26/704808126.db2.gz JOXJYCBMPHDBTK-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1ccccc1C#N ZINC000923298292 704868633 /nfs/dbraw/zinc/86/86/33/704868633.db2.gz ACNKWHBHUYBOJF-ZBFHGGJFSA-N 1 3 291.395 1.261 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045638551 705018960 /nfs/dbraw/zinc/01/89/60/705018960.db2.gz GTFQTJJLQZKIRW-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045638551 705018970 /nfs/dbraw/zinc/01/89/70/705018970.db2.gz GTFQTJJLQZKIRW-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[C@H]1CC[C@@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900136 1167642410 /nfs/dbraw/zinc/64/24/10/1167642410.db2.gz RPZABQOXQNDTKF-NWDGAFQWSA-N 1 3 261.373 1.257 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000262021279 848218202 /nfs/dbraw/zinc/21/82/02/848218202.db2.gz XYJSODOXIXDSLE-QWHCGFSZSA-N 1 3 252.406 1.730 20 30 CDEDHO CC#CCN1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001798564 848351599 /nfs/dbraw/zinc/35/15/99/848351599.db2.gz SFLWFVBHYVGAIX-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@@H](C)C#N)[C@H](C)C1 ZINC000801943176 848367925 /nfs/dbraw/zinc/36/79/25/848367925.db2.gz MNWSLDXNQDHARJ-PMPSAXMXSA-N 1 3 297.443 1.642 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NCCO[C@@H](C)C#N)[C@H](C)C1 ZINC000801943176 848367936 /nfs/dbraw/zinc/36/79/36/848367936.db2.gz MNWSLDXNQDHARJ-PMPSAXMXSA-N 1 3 297.443 1.642 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001026285317 848846481 /nfs/dbraw/zinc/84/64/81/848846481.db2.gz ZCEOPRUCIDDIFW-NUEKZKHPSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357959 848921727 /nfs/dbraw/zinc/92/17/27/848921727.db2.gz JPFKIAKCBONBME-NVXWUHKLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357959 848921733 /nfs/dbraw/zinc/92/17/33/848921733.db2.gz JPFKIAKCBONBME-NVXWUHKLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644486 849128397 /nfs/dbraw/zinc/12/83/97/849128397.db2.gz DLNINEVTCCWTHT-WBVHZDCISA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644486 849128403 /nfs/dbraw/zinc/12/84/03/849128403.db2.gz DLNINEVTCCWTHT-WBVHZDCISA-N 1 3 293.455 1.683 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1c(C)nc2ccccn21 ZINC000328220996 849271526 /nfs/dbraw/zinc/27/15/26/849271526.db2.gz ZYDWSNKKAXMVLC-UHFFFAOYSA-N 1 3 270.380 1.687 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1c(C)nc2ccccn21 ZINC000328220996 849271530 /nfs/dbraw/zinc/27/15/30/849271530.db2.gz ZYDWSNKKAXMVLC-UHFFFAOYSA-N 1 3 270.380 1.687 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022534571 849393473 /nfs/dbraw/zinc/39/34/73/849393473.db2.gz WPPWHAMOJBNWRJ-BETUJISGSA-N 1 3 299.846 1.850 20 30 CDEDHO C#CC[N@@H+](C)CCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000827114873 849585131 /nfs/dbraw/zinc/58/51/31/849585131.db2.gz PWCABXLTXVWLIV-HNNXBMFYSA-N 1 3 294.443 1.067 20 30 CDEDHO C#CC[N@H+](C)CCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000827114873 849585139 /nfs/dbraw/zinc/58/51/39/849585139.db2.gz PWCABXLTXVWLIV-HNNXBMFYSA-N 1 3 294.443 1.067 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046318326 850214006 /nfs/dbraw/zinc/21/40/06/850214006.db2.gz KLONBJGKLHLLME-DOTOQJQBSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996692420 850335092 /nfs/dbraw/zinc/33/50/92/850335092.db2.gz MYSPEZSAZZGUMS-HNNXBMFYSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580219 850449878 /nfs/dbraw/zinc/44/98/78/850449878.db2.gz SNQDWUVVHFBZFV-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028580219 850449881 /nfs/dbraw/zinc/44/98/81/850449881.db2.gz SNQDWUVVHFBZFV-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)[C@@H]2C)CC1 ZINC001089060135 912550652 /nfs/dbraw/zinc/55/06/52/912550652.db2.gz VEGGJFDGTWEVFL-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@@H]2C)CC1 ZINC001089060135 912550667 /nfs/dbraw/zinc/55/06/67/912550667.db2.gz VEGGJFDGTWEVFL-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249417 913714976 /nfs/dbraw/zinc/71/49/76/913714976.db2.gz GTDYEWQITOHWJM-BPLDGKMQSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672450 914125075 /nfs/dbraw/zinc/12/50/75/914125075.db2.gz WOUUXKQXOFTEKJ-HUUCEWRRSA-N 1 3 295.471 1.834 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586615 910817531 /nfs/dbraw/zinc/81/75/31/910817531.db2.gz QWXPBOBCWMEFEI-CQSZACIVSA-N 1 3 281.444 1.615 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205561351 922543109 /nfs/dbraw/zinc/54/31/09/922543109.db2.gz HETFVCTUFBTFHK-UHFFFAOYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559534 924958250 /nfs/dbraw/zinc/95/82/50/924958250.db2.gz IJPFULYQKNXXJR-BPLDGKMQSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601226 937067515 /nfs/dbraw/zinc/06/75/15/937067515.db2.gz RVWHRQXIKKXICF-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601226 937067517 /nfs/dbraw/zinc/06/75/17/937067517.db2.gz RVWHRQXIKKXICF-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001086382069 927053462 /nfs/dbraw/zinc/05/34/62/927053462.db2.gz RXUUHVODYMMSBQ-JYJNAYRXSA-N 1 3 293.455 1.921 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC=C)C2)CC1 ZINC001086557798 929406393 /nfs/dbraw/zinc/40/63/93/929406393.db2.gz FOHFXGYZPBPPRF-KOMQPUFPSA-N 1 3 289.423 1.002 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666958 930453312 /nfs/dbraw/zinc/45/33/12/930453312.db2.gz DVBYPTMBOWECJL-UHFFFAOYSA-N 1 3 276.384 1.499 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115778842 937419384 /nfs/dbraw/zinc/41/93/84/937419384.db2.gz VKFXNABMPQVIEH-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091360541 932115804 /nfs/dbraw/zinc/11/58/04/932115804.db2.gz HTCKUZIGPKEIRG-OTTFEQOBSA-N 1 3 285.819 1.175 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091360541 932115806 /nfs/dbraw/zinc/11/58/06/932115806.db2.gz HTCKUZIGPKEIRG-OTTFEQOBSA-N 1 3 285.819 1.175 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012168 932910472 /nfs/dbraw/zinc/91/04/72/932910472.db2.gz RLOFEXHUOBAHKA-UXLLHSPISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012168 932910477 /nfs/dbraw/zinc/91/04/77/932910477.db2.gz RLOFEXHUOBAHKA-UXLLHSPISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001121922421 937890860 /nfs/dbraw/zinc/89/08/60/937890860.db2.gz IZQFYQJRRSQNMN-CHWSQXEVSA-N 1 3 269.433 1.763 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001121931564 937891877 /nfs/dbraw/zinc/89/18/77/937891877.db2.gz CCIRGRYTXZEVBT-QWHCGFSZSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001122055748 937902512 /nfs/dbraw/zinc/90/25/12/937902512.db2.gz NCMDJXQNHGEHRC-HOTGVXAUSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158750525 938659789 /nfs/dbraw/zinc/65/97/89/938659789.db2.gz LEQZCNFPHVTYGA-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158750525 938659790 /nfs/dbraw/zinc/65/97/90/938659790.db2.gz LEQZCNFPHVTYGA-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464362 939566677 /nfs/dbraw/zinc/56/66/77/939566677.db2.gz CAWJSMDSWAXAJF-UHFFFAOYSA-N 1 3 279.428 1.533 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165717988 939575833 /nfs/dbraw/zinc/57/58/33/939575833.db2.gz CHEXQYFZMPQCJJ-CQSZACIVSA-N 1 3 279.428 1.226 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275414 940010003 /nfs/dbraw/zinc/01/00/03/940010003.db2.gz QZUGCFQDQGMNCY-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206954354 940117436 /nfs/dbraw/zinc/11/74/36/940117436.db2.gz FKWUYSRQLSLRBC-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210175283 940669347 /nfs/dbraw/zinc/66/93/47/940669347.db2.gz MIAMAIQFSUKNBC-INIZCTEOSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216511613 940943272 /nfs/dbraw/zinc/94/32/72/940943272.db2.gz XBYVDUMMCIMNQQ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792446 942072143 /nfs/dbraw/zinc/07/21/43/942072143.db2.gz QXSRSYGWXAVHNZ-HUUCEWRRSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN(C)CCC)CC1 ZINC001230115179 942586194 /nfs/dbraw/zinc/58/61/94/942586194.db2.gz BXSXTRPHTZBXPW-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C[NH+](C)CCN1CCO[C@]2(CCCN(CCCC#N)C2)C1 ZINC001277944922 944153851 /nfs/dbraw/zinc/15/38/51/944153851.db2.gz GGPZURPZBPKIHQ-INIZCTEOSA-N 1 3 294.443 1.019 20 30 CDEDHO N#CCCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001277945358 944156430 /nfs/dbraw/zinc/15/64/30/944156430.db2.gz XVTLYPBAICJXSH-UHFFFAOYSA-N 1 3 287.411 1.585 20 30 CDEDHO C[NH+]1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001256195298 948223679 /nfs/dbraw/zinc/22/36/79/948223679.db2.gz JTSRTCMIFQHFAN-UHFFFAOYSA-N 1 3 252.749 1.535 20 30 CDEDHO C=C[C@](C)(O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001252580272 951473184 /nfs/dbraw/zinc/47/31/84/951473184.db2.gz BPUMSWOVDXYLRJ-HNNXBMFYSA-N 1 3 252.402 1.920 20 30 CDEDHO C=C[C@](C)(O)CNC1CC[NH+](C2CCCC2)CC1 ZINC001252580272 951473200 /nfs/dbraw/zinc/47/32/00/951473200.db2.gz BPUMSWOVDXYLRJ-HNNXBMFYSA-N 1 3 252.402 1.920 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001328203913 955225263 /nfs/dbraw/zinc/22/52/63/955225263.db2.gz KYZZTXBMBHGTRV-HUUCEWRRSA-N 1 3 294.443 1.114 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc([S@@](C)=O)cc1 ZINC001334326157 959029464 /nfs/dbraw/zinc/02/94/64/959029464.db2.gz LYXBSHBJXYXWMG-LJQANCHMSA-N 1 3 278.421 1.469 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc([S@@](C)=O)cc1 ZINC001334326157 959029486 /nfs/dbraw/zinc/02/94/86/959029486.db2.gz LYXBSHBJXYXWMG-LJQANCHMSA-N 1 3 278.421 1.469 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340864736 963162079 /nfs/dbraw/zinc/16/20/79/963162079.db2.gz JIDQPWXSWUPRSN-AVGNSLFASA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001340864736 963162086 /nfs/dbraw/zinc/16/20/86/963162086.db2.gz JIDQPWXSWUPRSN-AVGNSLFASA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001341673104 963506688 /nfs/dbraw/zinc/50/66/88/963506688.db2.gz WPKTUAJZLPDSMD-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001341673104 963506691 /nfs/dbraw/zinc/50/66/91/963506691.db2.gz WPKTUAJZLPDSMD-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001357363080 969575037 /nfs/dbraw/zinc/57/50/37/969575037.db2.gz VWOVGOGJTFSGCH-JSGCOSHPSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001357363080 969575046 /nfs/dbraw/zinc/57/50/46/969575046.db2.gz VWOVGOGJTFSGCH-JSGCOSHPSA-N 1 3 265.401 1.271 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001357474367 969602556 /nfs/dbraw/zinc/60/25/56/969602556.db2.gz MIGZSPSWEZOEIN-RQJABVFESA-N 1 3 267.417 1.398 20 30 CDEDHO C[NH+](C)CC1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC001578412680 1171902443 /nfs/dbraw/zinc/90/24/43/1171902443.db2.gz SHINWBOGELVTBW-AWEZNQCLSA-N 1 3 294.443 1.636 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CNCCC[NH+]1CCCCC1 ZINC000598705032 343877187 /nfs/dbraw/zinc/87/71/87/343877187.db2.gz XGIULRYNVVYYPF-AWEZNQCLSA-N 1 3 267.417 1.753 20 30 CDEDHO CN1CCC(O)(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404098768 530050758 /nfs/dbraw/zinc/05/07/58/530050758.db2.gz YQQSDELOOCKONG-UHFFFAOYSA-N 1 3 277.343 1.244 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000265602901 359331838 /nfs/dbraw/zinc/33/18/38/359331838.db2.gz AHJNRTNUSCDEAC-ZNFPLGDCSA-N 1 3 293.455 1.919 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417518355 377795444 /nfs/dbraw/zinc/79/54/44/377795444.db2.gz BKVARLFQEJJWIQ-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417531626 377888462 /nfs/dbraw/zinc/88/84/62/377888462.db2.gz RZXZBULBGDVPCY-UHFFFAOYSA-N 1 3 282.432 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417543967 377930761 /nfs/dbraw/zinc/93/07/61/377930761.db2.gz VLYDEGHDYISJSP-UKRRQHHQSA-N 1 3 294.443 1.454 20 30 CDEDHO CCOCCCN1CC[C@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC000682535141 483276455 /nfs/dbraw/zinc/27/64/55/483276455.db2.gz AQHYEOBZXTWRTM-CVEARBPZSA-N 1 3 282.428 1.363 20 30 CDEDHO C[N@@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497367 263055924 /nfs/dbraw/zinc/05/59/24/263055924.db2.gz JUDHBYLHEHLRCS-HZPDHXFCSA-N 1 3 296.374 1.308 20 30 CDEDHO C[N@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497367 263055925 /nfs/dbraw/zinc/05/59/25/263055925.db2.gz JUDHBYLHEHLRCS-HZPDHXFCSA-N 1 3 296.374 1.308 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362801000 267047327 /nfs/dbraw/zinc/04/73/27/267047327.db2.gz JYLSNCKOPSOHAP-HIFRSBDPSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362801000 267047329 /nfs/dbraw/zinc/04/73/29/267047329.db2.gz JYLSNCKOPSOHAP-HIFRSBDPSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001671753955 1173709487 /nfs/dbraw/zinc/70/94/87/1173709487.db2.gz VPKSFCUMRNAYPY-GDBMZVCRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000178768993 329200157 /nfs/dbraw/zinc/20/01/57/329200157.db2.gz WGRRLGRYZWDPSB-UHFFFAOYSA-N 1 3 251.374 1.025 20 30 CDEDHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424131694 330264073 /nfs/dbraw/zinc/26/40/73/330264073.db2.gz JPXLNDJCAFFKCO-GJZGRUSLSA-N 1 3 294.443 1.636 20 30 CDEDHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424131694 330264075 /nfs/dbraw/zinc/26/40/75/330264075.db2.gz JPXLNDJCAFFKCO-GJZGRUSLSA-N 1 3 294.443 1.636 20 30 CDEDHO C#CCNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123460000 333533792 /nfs/dbraw/zinc/53/37/92/333533792.db2.gz PEYKXZPDJBOTGQ-AWEZNQCLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417545883 482595181 /nfs/dbraw/zinc/59/51/81/482595181.db2.gz YLJQVIGDXYYNME-ZFWWWQNUSA-N 1 3 294.443 1.596 20 30 CDEDHO CC#CC[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001713290934 1178469279 /nfs/dbraw/zinc/46/92/79/1178469279.db2.gz QJSGRUXDJTYEDD-NRXISQOPSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCCC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001753197408 1185113201 /nfs/dbraw/zinc/11/32/01/1185113201.db2.gz YXKKQYFRPHURDV-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC000763053670 575023866 /nfs/dbraw/zinc/02/38/66/575023866.db2.gz MITYADZNLYDPEZ-UHFFFAOYSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000968672987 612959951 /nfs/dbraw/zinc/95/99/51/612959951.db2.gz ONUNOCFGJNIDGA-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000968672987 612959952 /nfs/dbraw/zinc/95/99/52/612959952.db2.gz ONUNOCFGJNIDGA-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968912954 613348806 /nfs/dbraw/zinc/34/88/06/613348806.db2.gz YBOJOJMHKHMPNX-KGLIPLIRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944444616 613520903 /nfs/dbraw/zinc/52/09/03/613520903.db2.gz KUQBZJBISDLEMF-TZMCWYRMSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944444616 613520906 /nfs/dbraw/zinc/52/09/06/613520906.db2.gz KUQBZJBISDLEMF-TZMCWYRMSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960330579 613870868 /nfs/dbraw/zinc/87/08/68/613870868.db2.gz UVQOZIAOFBVMQR-USXIJHARSA-N 1 3 299.418 1.496 20 30 CDEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000960330579 613870869 /nfs/dbraw/zinc/87/08/69/613870869.db2.gz UVQOZIAOFBVMQR-USXIJHARSA-N 1 3 299.418 1.496 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900597814 623275784 /nfs/dbraw/zinc/27/57/84/623275784.db2.gz AEARQTCZVTWJQP-HZPDHXFCSA-N 1 3 291.439 1.770 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900597814 623275790 /nfs/dbraw/zinc/27/57/90/623275790.db2.gz AEARQTCZVTWJQP-HZPDHXFCSA-N 1 3 291.439 1.770 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750580 629468672 /nfs/dbraw/zinc/46/86/72/629468672.db2.gz DRSLNKHNWHHMOH-KBPBESRZSA-N 1 3 269.433 1.933 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819296 629547033 /nfs/dbraw/zinc/54/70/33/629547033.db2.gz PHNMFWAQWXKLIE-ZIAGYGMSSA-N 1 3 267.417 1.694 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133962367 1163984531 /nfs/dbraw/zinc/98/45/31/1163984531.db2.gz GMKOCKAHKTUTQM-OLZOCXBDSA-N 1 3 255.406 1.387 20 30 CDEDHO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001569683985 1169965186 /nfs/dbraw/zinc/96/51/86/1169965186.db2.gz VPKSFCUMRNAYPY-GOEBONIOSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001754802444 1185734737 /nfs/dbraw/zinc/73/47/37/1185734737.db2.gz BPHMZPUJWLZATL-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CN(C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001755817120 1186078414 /nfs/dbraw/zinc/07/84/14/1186078414.db2.gz DTDKHHNNSZXCDF-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228879 705322353 /nfs/dbraw/zinc/32/23/53/705322353.db2.gz PBZGFCKPUILECY-OAHLLOKOSA-N 1 3 289.423 1.171 20 30 CDEDHO C=CC[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852410480 705704444 /nfs/dbraw/zinc/70/44/44/705704444.db2.gz MRCLRDMBNUKTDR-GJZGRUSLSA-N 1 3 252.402 1.731 20 30 CDEDHO C[C@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164492 706015766 /nfs/dbraw/zinc/01/57/66/706015766.db2.gz LDFWGPHIASJASG-JSGCOSHPSA-N 1 3 273.384 1.437 20 30 CDEDHO C[C@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000927164492 706015767 /nfs/dbraw/zinc/01/57/67/706015767.db2.gz LDFWGPHIASJASG-JSGCOSHPSA-N 1 3 273.384 1.437 20 30 CDEDHO C#CCN1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000886661556 709811577 /nfs/dbraw/zinc/81/15/77/709811577.db2.gz XFZPMXLSEJCIHS-QGZVFWFLSA-N 1 3 275.440 1.548 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044745791 709871586 /nfs/dbraw/zinc/87/15/86/709871586.db2.gz ZUZIZURRKXHROU-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996993844 710251960 /nfs/dbraw/zinc/25/19/60/710251960.db2.gz GFLNZRKFYFMKQC-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C[C@H](C#N)OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748463 710380125 /nfs/dbraw/zinc/38/01/25/710380125.db2.gz VNRFSZONFHAGQC-CQSZACIVSA-N 1 3 274.368 1.522 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992422182 710726249 /nfs/dbraw/zinc/72/62/49/710726249.db2.gz ZODBHHJLTBHXPP-ZMSDIMECSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992422182 710726256 /nfs/dbraw/zinc/72/62/56/710726256.db2.gz ZODBHHJLTBHXPP-ZMSDIMECSA-N 1 3 289.423 1.075 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001072979630 710779380 /nfs/dbraw/zinc/77/93/80/710779380.db2.gz GCJMUXWDLCIPSW-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072979630 710779390 /nfs/dbraw/zinc/77/93/90/710779390.db2.gz GCJMUXWDLCIPSW-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001040639024 710808220 /nfs/dbraw/zinc/80/82/20/710808220.db2.gz WVBBZGCPBVCBBZ-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO c1nncn1N=C1CCOC[C@H]1C[NH+]1CCCCC1 ZINC000787143767 711560352 /nfs/dbraw/zinc/56/03/52/711560352.db2.gz BNTQIMJFZIHVTI-GFCCVEGCSA-N 1 3 263.345 1.005 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339795 711565811 /nfs/dbraw/zinc/56/58/11/711565811.db2.gz JVXAYOVGVMKCPF-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038339795 711565812 /nfs/dbraw/zinc/56/58/12/711565812.db2.gz JVXAYOVGVMKCPF-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000828842206 711707219 /nfs/dbraw/zinc/70/72/19/711707219.db2.gz OAHVRYHWFDLPIX-UHFFFAOYSA-N 1 3 273.380 1.526 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001054735749 711786584 /nfs/dbraw/zinc/78/65/84/711786584.db2.gz KEAYGOZRPLUFJP-OLZOCXBDSA-N 1 3 265.401 1.093 20 30 CDEDHO CCC#C[C@H](C)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879594081 711802662 /nfs/dbraw/zinc/80/26/62/711802662.db2.gz XATRNUNAVUJBQF-HNNXBMFYSA-N 1 3 263.429 1.500 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000699503 711814532 /nfs/dbraw/zinc/81/45/32/711814532.db2.gz HDZSKVLIZQZFMY-UKRRQHHQSA-N 1 3 277.412 1.261 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001000699503 711814533 /nfs/dbraw/zinc/81/45/33/711814533.db2.gz HDZSKVLIZQZFMY-UKRRQHHQSA-N 1 3 277.412 1.261 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344689 913955215 /nfs/dbraw/zinc/95/52/15/913955215.db2.gz QFZQMHLWYGTLLX-OAHLLOKOSA-N 1 3 291.439 1.370 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344689 913955221 /nfs/dbraw/zinc/95/52/21/913955221.db2.gz QFZQMHLWYGTLLX-OAHLLOKOSA-N 1 3 291.439 1.370 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267576605 898488730 /nfs/dbraw/zinc/48/87/30/898488730.db2.gz UGDJJUNCQYMWIE-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267576605 898488736 /nfs/dbraw/zinc/48/87/36/898488736.db2.gz UGDJJUNCQYMWIE-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809500 899525895 /nfs/dbraw/zinc/52/58/95/899525895.db2.gz IJMYFHNIOYETFG-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C[C@@H](CCCC#N)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001172499042 911734506 /nfs/dbraw/zinc/73/45/06/911734506.db2.gz ABKSWSRCRVGSJC-AWEZNQCLSA-N 1 3 280.416 1.165 20 30 CDEDHO C[C@@H](CCCC#N)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001172499042 911734511 /nfs/dbraw/zinc/73/45/11/911734511.db2.gz ABKSWSRCRVGSJC-AWEZNQCLSA-N 1 3 280.416 1.165 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180369368 916318767 /nfs/dbraw/zinc/31/87/67/916318767.db2.gz AXZVZHMZNWAOPA-MRXNPFEDSA-N 1 3 293.455 1.760 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186405673 920018173 /nfs/dbraw/zinc/01/81/73/920018173.db2.gz XETGBJKKDTXROE-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010816 936774681 /nfs/dbraw/zinc/77/46/81/936774681.db2.gz ONUGDLRYGMJDJD-RDJZCZTQSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192384834 923050889 /nfs/dbraw/zinc/05/08/89/923050889.db2.gz AIMMRKSMTGJAGQ-GJZGRUSLSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192384834 923050906 /nfs/dbraw/zinc/05/09/06/923050906.db2.gz AIMMRKSMTGJAGQ-GJZGRUSLSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082741208 924991207 /nfs/dbraw/zinc/99/12/07/924991207.db2.gz SOQLVIYHVWRMPZ-MGPQQGTHSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152452201 925430672 /nfs/dbraw/zinc/43/06/72/925430672.db2.gz WPYYTPREBWLYSX-CABCVRRESA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(CC)CC)C1 ZINC001150469269 937231728 /nfs/dbraw/zinc/23/17/28/937231728.db2.gz DQMBKBGLUOEUJR-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CN(CC)CC)C1 ZINC001150469269 937231730 /nfs/dbraw/zinc/23/17/30/937231730.db2.gz DQMBKBGLUOEUJR-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654157 928999495 /nfs/dbraw/zinc/99/94/95/928999495.db2.gz ZAQCSIFLXQGVHT-ILXRZTDVSA-N 1 3 277.412 1.073 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115573093 937396038 /nfs/dbraw/zinc/39/60/38/937396038.db2.gz HQZOIBDMTAQFGD-HNNXBMFYSA-N 1 3 293.455 1.921 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734219 937417252 /nfs/dbraw/zinc/41/72/52/937417252.db2.gz CIQURXBHNVMJKX-HNNXBMFYSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069429 937499866 /nfs/dbraw/zinc/49/98/66/937499866.db2.gz DKMZKMZLMPVOSZ-CYBMUJFWSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069429 937499868 /nfs/dbraw/zinc/49/98/68/937499868.db2.gz DKMZKMZLMPVOSZ-CYBMUJFWSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326092 932093921 /nfs/dbraw/zinc/09/39/21/932093921.db2.gz AWGUMUMOBCZPTM-UHFFFAOYSA-N 1 3 297.830 1.319 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591893 932268719 /nfs/dbraw/zinc/26/87/19/932268719.db2.gz HZYXBFIOIYJYRL-UONOGXRCSA-N 1 3 269.433 1.776 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367268 932881015 /nfs/dbraw/zinc/88/10/15/932881015.db2.gz LBCZJWXHUPPTSD-HOTGVXAUSA-N 1 3 295.471 1.861 20 30 CDEDHO C#CCN1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046455256 935953058 /nfs/dbraw/zinc/95/30/58/935953058.db2.gz WRMPGHVZANABHK-MRXNPFEDSA-N 1 3 282.347 1.162 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159860992 938757554 /nfs/dbraw/zinc/75/75/54/938757554.db2.gz HXUQUSUYIILRMP-UHFFFAOYSA-N 1 3 253.390 1.143 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C#N ZINC001160635586 938805311 /nfs/dbraw/zinc/80/53/11/938805311.db2.gz AZSJUBRYYYIMFP-KGLIPLIRSA-N 1 3 280.416 1.387 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866931 938834574 /nfs/dbraw/zinc/83/45/74/938834574.db2.gz DNHDSYPLPXIVOW-KBPBESRZSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160866931 938834576 /nfs/dbraw/zinc/83/45/76/938834576.db2.gz DNHDSYPLPXIVOW-KBPBESRZSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206169957 939989542 /nfs/dbraw/zinc/98/95/42/939989542.db2.gz VCPDISDVFTXRKN-MRXNPFEDSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274501 940009863 /nfs/dbraw/zinc/00/98/63/940009863.db2.gz IOTDUVAQPVHYGV-OAHLLOKOSA-N 1 3 293.455 1.733 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274509 940010027 /nfs/dbraw/zinc/01/00/27/940010027.db2.gz ISUFNLGUOZOQBI-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208333915 940320443 /nfs/dbraw/zinc/32/04/43/940320443.db2.gz AGVTZWOIALIYET-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCCCC[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001209428206 940589098 /nfs/dbraw/zinc/58/90/98/940589098.db2.gz BBIFBQREWHCVJZ-UHFFFAOYSA-N 1 3 281.444 1.829 20 30 CDEDHO C=CCCCCC[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001209428206 940589100 /nfs/dbraw/zinc/58/91/00/940589100.db2.gz BBIFBQREWHCVJZ-UHFFFAOYSA-N 1 3 281.444 1.829 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835979 940645297 /nfs/dbraw/zinc/64/52/97/940645297.db2.gz HDQUSUAYWPXNRT-LBPRGKRZSA-N 1 3 262.357 1.109 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210314891 940682746 /nfs/dbraw/zinc/68/27/46/940682746.db2.gz KKBLROSPGVBXDH-DZGCQCFKSA-N 1 3 264.369 1.017 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218871715 941282494 /nfs/dbraw/zinc/28/24/94/941282494.db2.gz QHVHJWUECLMGJY-XHDPSFHLSA-N 1 3 286.379 1.579 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001263095176 943741917 /nfs/dbraw/zinc/74/19/17/943741917.db2.gz FYQYHMPSXSIEGN-ILXRZTDVSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001263095176 943741920 /nfs/dbraw/zinc/74/19/20/943741920.db2.gz FYQYHMPSXSIEGN-ILXRZTDVSA-N 1 3 281.444 1.907 20 30 CDEDHO N#C[C@H]1CC[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647408 947570215 /nfs/dbraw/zinc/57/02/15/947570215.db2.gz CKBXQYFPMKWHPD-XUXIUFHCSA-N 1 3 263.385 1.649 20 30 CDEDHO C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251848249 950868382 /nfs/dbraw/zinc/86/83/82/950868382.db2.gz XBBPBUWLQPRJBN-SJORKVTESA-N 1 3 294.439 1.338 20 30 CDEDHO C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251848249 950868402 /nfs/dbraw/zinc/86/84/02/950868402.db2.gz XBBPBUWLQPRJBN-SJORKVTESA-N 1 3 294.439 1.338 20 30 CDEDHO C=C[C@@](C)(O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001252579251 951471664 /nfs/dbraw/zinc/47/16/64/951471664.db2.gz KSCDTRDFBKXYKZ-MRXNPFEDSA-N 1 3 282.428 1.404 20 30 CDEDHO C=C[C@@](C)(O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001252579251 951471674 /nfs/dbraw/zinc/47/16/74/951471674.db2.gz KSCDTRDFBKXYKZ-MRXNPFEDSA-N 1 3 282.428 1.404 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001419435927 961701829 /nfs/dbraw/zinc/70/18/29/961701829.db2.gz MJAPTHPXJKKAGJ-HDJSIYSDSA-N 1 3 299.846 1.852 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001340267751 962850498 /nfs/dbraw/zinc/85/04/98/962850498.db2.gz WSROAIGWYIJWAI-DGAVXFQQSA-N 1 3 265.401 1.256 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001341127954 963286489 /nfs/dbraw/zinc/28/64/89/963286489.db2.gz UJDKMLUBDZPZPH-CQSZACIVSA-N 1 3 299.459 1.377 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NCC1([NH3+])CC1 ZINC001341302153 963357972 /nfs/dbraw/zinc/35/79/72/963357972.db2.gz LLOPSIVNZJXMNQ-LBPRGKRZSA-N 1 3 255.406 1.672 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001341488685 963434501 /nfs/dbraw/zinc/43/45/01/963434501.db2.gz NLMGKQFGFCATFF-CHWSQXEVSA-N 1 3 257.422 1.870 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001341778358 963539449 /nfs/dbraw/zinc/53/94/49/963539449.db2.gz QVDOEYSGPSIHNA-AWEZNQCLSA-N 1 3 259.353 1.912 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001353495984 968018841 /nfs/dbraw/zinc/01/88/41/968018841.db2.gz QOLBWSOXQLSUFD-UONOGXRCSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001353495984 968018852 /nfs/dbraw/zinc/01/88/52/968018852.db2.gz QOLBWSOXQLSUFD-UONOGXRCSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445868229 362276049 /nfs/dbraw/zinc/27/60/49/362276049.db2.gz FKNGAWNUZDBCGB-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1=CCN(C)CC1 ZINC000602582046 344475546 /nfs/dbraw/zinc/47/55/46/344475546.db2.gz MSONSVHAMFMRNV-CQSZACIVSA-N 1 3 277.412 1.937 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070170614 356846458 /nfs/dbraw/zinc/84/64/58/356846458.db2.gz QEWVHMVBGRCQJU-CQSZACIVSA-N 1 3 265.401 1.248 20 30 CDEDHO CC[C@@H](C)NC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000058326860 357394330 /nfs/dbraw/zinc/39/43/30/357394330.db2.gz QGYYFUJEQGTNGP-GFCCVEGCSA-N 1 3 254.422 1.954 20 30 CDEDHO C=CCOCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000348045286 359796150 /nfs/dbraw/zinc/79/61/50/359796150.db2.gz HSPMHXKZARHOEB-UHFFFAOYSA-N 1 3 270.417 1.358 20 30 CDEDHO C=CCC[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000337477724 360166468 /nfs/dbraw/zinc/16/64/68/360166468.db2.gz TXNVKIUTSZWSBV-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=CCC[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000337477724 360166472 /nfs/dbraw/zinc/16/64/72/360166472.db2.gz TXNVKIUTSZWSBV-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO CN(C)CCN1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000075802245 374199224 /nfs/dbraw/zinc/19/92/24/374199224.db2.gz YAVJGWJRQCOARV-UHFFFAOYSA-N 1 3 286.423 1.674 20 30 CDEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194535506 375953776 /nfs/dbraw/zinc/95/37/76/375953776.db2.gz UGRYLTAIYCKGAY-BMFZPTHFSA-N 1 3 285.391 1.971 20 30 CDEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194535506 375953778 /nfs/dbraw/zinc/95/37/78/375953778.db2.gz UGRYLTAIYCKGAY-BMFZPTHFSA-N 1 3 285.391 1.971 20 30 CDEDHO C=CCOCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000339011531 391241822 /nfs/dbraw/zinc/24/18/22/391241822.db2.gz VALZTQQGNYJGFU-UHFFFAOYSA-N 1 3 282.428 1.766 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000262663774 391809017 /nfs/dbraw/zinc/80/90/17/391809017.db2.gz MNUPOTDSRBWUOF-JSGCOSHPSA-N 1 3 288.395 1.509 20 30 CDEDHO CNC[C@@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423284363 392960338 /nfs/dbraw/zinc/96/03/38/392960338.db2.gz YFKDRLTXVIVZDN-CQSZACIVSA-N 1 3 286.423 1.972 20 30 CDEDHO C[NH2+]C[C@@H](C)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423284363 392960342 /nfs/dbraw/zinc/96/03/42/392960342.db2.gz YFKDRLTXVIVZDN-CQSZACIVSA-N 1 3 286.423 1.972 20 30 CDEDHO C=CCCn1cc(CNC2CCC([NH+](C)C)CC2)nn1 ZINC000657493700 414392834 /nfs/dbraw/zinc/39/28/34/414392834.db2.gz IHBXIFSKEGDFTL-UHFFFAOYSA-N 1 3 277.416 1.817 20 30 CDEDHO COC1CCN(C2(CNC3=[NH+]C[C@@H](C)N3)CCCC2)CC1 ZINC000262689519 330027410 /nfs/dbraw/zinc/02/74/10/330027410.db2.gz ZSBHPXUOZQUROA-CYBMUJFWSA-N 1 3 294.443 1.347 20 30 CDEDHO C=CCN1CCC(N[C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856119 330157765 /nfs/dbraw/zinc/15/77/65/330157765.db2.gz DPGATLTZLURZPX-GJZGRUSLSA-N 1 3 251.418 1.757 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000424125916 330259013 /nfs/dbraw/zinc/25/90/13/330259013.db2.gz AXGKFRQTLWYEKK-CABCVRRESA-N 1 3 292.427 1.484 20 30 CDEDHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424137271 330274576 /nfs/dbraw/zinc/27/45/76/330274576.db2.gz RWZZSWLNFWEUJI-HNNXBMFYSA-N 1 3 288.395 1.386 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139417 330279017 /nfs/dbraw/zinc/27/90/17/330279017.db2.gz VGAYCMRIDMBBQI-MCIONIFRSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)[N@H+]1CCCC[C@H]1C ZINC000424139417 330279018 /nfs/dbraw/zinc/27/90/18/330279018.db2.gz VGAYCMRIDMBBQI-MCIONIFRSA-N 1 3 280.416 1.387 20 30 CDEDHO C[NH+](C)CCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424153213 330299808 /nfs/dbraw/zinc/29/98/08/330299808.db2.gz JTUHSJKLQYGYTI-HNNXBMFYSA-N 1 3 288.395 1.750 20 30 CDEDHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424157099 330304633 /nfs/dbraw/zinc/30/46/33/330304633.db2.gz PDLKKELHLHESCU-LXTVHRRPSA-N 1 3 294.443 1.490 20 30 CDEDHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424157099 330304634 /nfs/dbraw/zinc/30/46/34/330304634.db2.gz PDLKKELHLHESCU-LXTVHRRPSA-N 1 3 294.443 1.490 20 30 CDEDHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000442774971 330782118 /nfs/dbraw/zinc/78/21/18/330782118.db2.gz FQBYOFUJBDXUQD-GDBMZVCRSA-N 1 3 290.455 1.827 20 30 CDEDHO C#CCNC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000491119560 332151721 /nfs/dbraw/zinc/15/17/21/332151721.db2.gz IXEOWYXGUYJXQI-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000491119560 332151723 /nfs/dbraw/zinc/15/17/23/332151723.db2.gz IXEOWYXGUYJXQI-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000491119560 332151724 /nfs/dbraw/zinc/15/17/24/332151724.db2.gz IXEOWYXGUYJXQI-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CCNCc1cccc(C[NH+]2CCCC2)c1 ZINC000491689808 332287183 /nfs/dbraw/zinc/28/71/83/332287183.db2.gz KKUCMQMXAVQROX-UHFFFAOYSA-N 1 3 299.418 1.512 20 30 CDEDHO C#CCNC(=O)CCN[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000491715719 332306054 /nfs/dbraw/zinc/30/60/54/332306054.db2.gz QPWDQVKPCVCYTK-ZDUSSCGKSA-N 1 3 267.417 1.082 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836040 1160627097 /nfs/dbraw/zinc/62/70/97/1160627097.db2.gz KCUAWLSSIJASCB-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836040 1160627098 /nfs/dbraw/zinc/62/70/98/1160627098.db2.gz KCUAWLSSIJASCB-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001754084482 1185453771 /nfs/dbraw/zinc/45/37/71/1185453771.db2.gz HFNICYCMMQXAQV-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C=CCN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001755813715 1186075878 /nfs/dbraw/zinc/07/58/78/1186075878.db2.gz YCAJQHPKWASUEG-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980476541 613633124 /nfs/dbraw/zinc/63/31/24/613633124.db2.gz SNDXUVXLJTZIPS-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980476541 613633128 /nfs/dbraw/zinc/63/31/28/613633128.db2.gz SNDXUVXLJTZIPS-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013591 613678385 /nfs/dbraw/zinc/67/83/85/613678385.db2.gz WRLGPSYJHDFWRH-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013591 613678386 /nfs/dbraw/zinc/67/83/86/613678386.db2.gz WRLGPSYJHDFWRH-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819294 629546807 /nfs/dbraw/zinc/54/68/07/629546807.db2.gz PHNMFWAQWXKLIE-KGLIPLIRSA-N 1 3 267.417 1.694 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855944 629594122 /nfs/dbraw/zinc/59/41/22/629594122.db2.gz LBZDJDSAWAEBOD-AGIUHOORSA-N 1 3 251.374 1.023 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130425317 1162623490 /nfs/dbraw/zinc/62/34/90/1162623490.db2.gz TVTVYTBFAUDENY-CYBMUJFWSA-N 1 3 269.433 1.777 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773105 1164104609 /nfs/dbraw/zinc/10/46/09/1164104609.db2.gz LDLYVFZHXWGFHO-KBPBESRZSA-N 1 3 281.444 1.613 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184574913 1164359458 /nfs/dbraw/zinc/35/94/58/1164359458.db2.gz AGYKWCGJMOVUQA-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414521 1164920848 /nfs/dbraw/zinc/92/08/48/1164920848.db2.gz WSAKHEHKVUCXOA-QLPKVWCKSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414521 1164920853 /nfs/dbraw/zinc/92/08/53/1164920853.db2.gz WSAKHEHKVUCXOA-QLPKVWCKSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566665255 1168378663 /nfs/dbraw/zinc/37/86/63/1168378663.db2.gz PAPYHEACGXEIRV-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001566665255 1168378665 /nfs/dbraw/zinc/37/86/65/1168378665.db2.gz PAPYHEACGXEIRV-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001752484711 1184870104 /nfs/dbraw/zinc/87/01/04/1184870104.db2.gz QWTKVPSZMFQQIS-ZBFHGGJFSA-N 1 3 293.455 1.779 20 30 CDEDHO C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001754802442 1185734790 /nfs/dbraw/zinc/73/47/90/1185734790.db2.gz BPHMZPUJWLZATL-CVEARBPZSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH+]1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001754962508 1185769794 /nfs/dbraw/zinc/76/97/94/1185769794.db2.gz DSVRJBFZKGJPLL-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001755735662 1186052837 /nfs/dbraw/zinc/05/28/37/1186052837.db2.gz LMNOFZHFYFCTBQ-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001755813715 1186075873 /nfs/dbraw/zinc/07/58/73/1186075873.db2.gz YCAJQHPKWASUEG-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772373 1164102634 /nfs/dbraw/zinc/10/26/34/1164102634.db2.gz COXNGOYDEBEMNW-CHWSQXEVSA-N 1 3 269.433 1.776 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987055387 711904711 /nfs/dbraw/zinc/90/47/11/711904711.db2.gz BTCUTLDEPBGOGN-YPMHNXCESA-N 1 3 262.357 1.107 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050545397 712032282 /nfs/dbraw/zinc/03/22/82/712032282.db2.gz DRHJTGZVOBPKNU-HNNXBMFYSA-N 1 3 291.439 1.437 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020834 712044420 /nfs/dbraw/zinc/04/44/20/712044420.db2.gz NJQOUBCWLBGXRS-AWEZNQCLSA-N 1 3 286.383 1.052 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303902114 712116042 /nfs/dbraw/zinc/11/60/42/712116042.db2.gz XQGDNLMOEAMKGL-CABCVRRESA-N 1 3 286.423 1.715 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139786 712194399 /nfs/dbraw/zinc/19/43/99/712194399.db2.gz SRNTXFWEVZDQMZ-RFBLXINOSA-N 1 3 291.439 1.339 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050543837 712204299 /nfs/dbraw/zinc/20/42/99/712204299.db2.gz MOCVVEANJQIXMK-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072811822 712300583 /nfs/dbraw/zinc/30/05/83/712300583.db2.gz IGLPYVNVXYWDRK-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072811822 712300585 /nfs/dbraw/zinc/30/05/85/712300585.db2.gz IGLPYVNVXYWDRK-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCC)CC1 ZINC001039042549 712335444 /nfs/dbraw/zinc/33/54/44/712335444.db2.gz SRGWBXOKWBLERU-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCC)CC1 ZINC001039042549 712335445 /nfs/dbraw/zinc/33/54/45/712335445.db2.gz SRGWBXOKWBLERU-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828920 712373168 /nfs/dbraw/zinc/37/31/68/712373168.db2.gz JRHZJHLIOKUWKS-LSDHHAIUSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996243005 712399715 /nfs/dbraw/zinc/39/97/15/712399715.db2.gz BLZDKAFUDXZHNR-ZIAGYGMSSA-N 1 3 281.444 1.585 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997949914 712405226 /nfs/dbraw/zinc/40/52/26/712405226.db2.gz QBNWALMVJODIRQ-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997949914 712405227 /nfs/dbraw/zinc/40/52/27/712405227.db2.gz QBNWALMVJODIRQ-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016332266 712429606 /nfs/dbraw/zinc/42/96/06/712429606.db2.gz QOIDEMFYXRFGJQ-QGZVFWFLSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046377064 712521037 /nfs/dbraw/zinc/52/10/37/712521037.db2.gz ZVAHQGPTXGUHTF-DOTOQJQBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046377064 712521038 /nfs/dbraw/zinc/52/10/38/712521038.db2.gz ZVAHQGPTXGUHTF-DOTOQJQBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242537 712726966 /nfs/dbraw/zinc/72/69/66/712726966.db2.gz IVPGWYQYCBZFSR-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242537 712726967 /nfs/dbraw/zinc/72/69/67/712726967.db2.gz IVPGWYQYCBZFSR-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706115 1164169166 /nfs/dbraw/zinc/16/91/66/1164169166.db2.gz PBDQNGGHCSXHQR-KBPBESRZSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167261041 894989359 /nfs/dbraw/zinc/98/93/59/894989359.db2.gz USVDCYCXDCCFIT-AWEZNQCLSA-N 1 3 279.428 1.226 20 30 CDEDHO C=CCN(CCOC)Cc1cccc2c1CC[NH2+]C2 ZINC000234695699 896564438 /nfs/dbraw/zinc/56/44/38/896564438.db2.gz ZFQRORHTHLFATM-UHFFFAOYSA-N 1 3 260.381 1.967 20 30 CDEDHO [NH2+]=C(NCCN1CCCCCC1)NCC1CCC1 ZINC000262023998 904829175 /nfs/dbraw/zinc/82/91/75/904829175.db2.gz YXORGLDRAXNWSQ-UHFFFAOYSA-N 1 3 252.406 1.567 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109742 906326993 /nfs/dbraw/zinc/32/69/93/906326993.db2.gz WQFOELFNYNJMKY-PMPSAXMXSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109742 906327011 /nfs/dbraw/zinc/32/70/11/906327011.db2.gz WQFOELFNYNJMKY-PMPSAXMXSA-N 1 3 291.439 1.130 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957985 908625862 /nfs/dbraw/zinc/62/58/62/908625862.db2.gz HIMXDVWCYMTRQW-CHWSQXEVSA-N 1 3 265.401 1.236 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001224476290 909634395 /nfs/dbraw/zinc/63/43/95/909634395.db2.gz ANYJLULHLBGCRD-INIZCTEOSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902382 915682914 /nfs/dbraw/zinc/68/29/14/915682914.db2.gz OJRQDVBXGYZFGD-ZFWWWQNUSA-N 1 3 279.428 1.626 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580847 915907125 /nfs/dbraw/zinc/90/71/25/915907125.db2.gz SMAOAPBGFWPOQC-INIZCTEOSA-N 1 3 293.455 1.760 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180155345 916188259 /nfs/dbraw/zinc/18/82/59/916188259.db2.gz WKXVOZZDLIKMMM-UHFFFAOYSA-N 1 3 276.384 1.160 20 30 CDEDHO CC(C)N(CCNC(=[NH2+])NCC1CCC1)C(C)C ZINC000303706538 935041207 /nfs/dbraw/zinc/04/12/07/935041207.db2.gz LQQWJIXILXLZFX-UHFFFAOYSA-N 1 3 254.422 1.810 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001054735751 936469602 /nfs/dbraw/zinc/46/96/02/936469602.db2.gz KEAYGOZRPLUFJP-QWHCGFSZSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996299747 918244419 /nfs/dbraw/zinc/24/44/19/918244419.db2.gz DNFYNPYRGZVXEU-KGLIPLIRSA-N 1 3 279.428 1.483 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)cc1F ZINC001205221726 919183198 /nfs/dbraw/zinc/18/31/98/919183198.db2.gz XGLSMGHOUVBPJB-OAHLLOKOSA-N 1 3 277.343 1.373 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185761390 919745199 /nfs/dbraw/zinc/74/51/99/919745199.db2.gz GVVJPIDFJLNKDQ-LSDHHAIUSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999431167 919754474 /nfs/dbraw/zinc/75/44/74/919754474.db2.gz BGAMOGQTIPMQLU-KBPBESRZSA-N 1 3 267.417 1.339 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186411706 920017226 /nfs/dbraw/zinc/01/72/26/920017226.db2.gz FQFRYSIXTJXZET-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187841550 920679944 /nfs/dbraw/zinc/67/99/44/920679944.db2.gz DTGIKXYVHBRENW-CQSZACIVSA-N 1 3 265.401 1.239 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188139911 920856015 /nfs/dbraw/zinc/85/60/15/920856015.db2.gz VDSCTKMSZDGPGE-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158190 920907163 /nfs/dbraw/zinc/90/71/63/920907163.db2.gz GNFDXHZVGXPWIX-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071995840 936696098 /nfs/dbraw/zinc/69/60/98/936696098.db2.gz NZWQZCPVKZDSAK-CABCVRRESA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033940215 922432900 /nfs/dbraw/zinc/43/29/00/922432900.db2.gz FXDCLBFNOHPSNS-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203102678 936829622 /nfs/dbraw/zinc/82/96/22/936829622.db2.gz IWKYDIOWRPFOSR-UONOGXRCSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848524 924441787 /nfs/dbraw/zinc/44/17/87/924441787.db2.gz AGJVNCIFPQAVTD-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848524 924441795 /nfs/dbraw/zinc/44/17/95/924441795.db2.gz AGJVNCIFPQAVTD-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046089 937038730 /nfs/dbraw/zinc/03/87/30/937038730.db2.gz MDVOSBYUQXWIGI-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046089 937038733 /nfs/dbraw/zinc/03/87/33/937038733.db2.gz MDVOSBYUQXWIGI-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927626 926513465 /nfs/dbraw/zinc/51/34/65/926513465.db2.gz BXRWFVRCVYJNAF-CQSZACIVSA-N 1 3 277.412 1.191 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086370960 927041373 /nfs/dbraw/zinc/04/13/73/927041373.db2.gz IRKHEBAACGBRQK-AAVRWANBSA-N 1 3 299.846 1.564 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086370960 927041387 /nfs/dbraw/zinc/04/13/87/927041387.db2.gz IRKHEBAACGBRQK-AAVRWANBSA-N 1 3 299.846 1.564 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443916 937141953 /nfs/dbraw/zinc/14/19/53/937141953.db2.gz RIRNXPIHOHLXFC-OAGGEKHMSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443916 937141955 /nfs/dbraw/zinc/14/19/55/937141955.db2.gz RIRNXPIHOHLXFC-OAGGEKHMSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110017603 929105816 /nfs/dbraw/zinc/10/58/16/929105816.db2.gz DQRBTNFDLSLMPZ-PMPSAXMXSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110017603 929105819 /nfs/dbraw/zinc/10/58/19/929105819.db2.gz DQRBTNFDLSLMPZ-PMPSAXMXSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CCC(C(=O)N(CC)C2CC[NH+](C)CC2)CC1 ZINC000861894883 929350322 /nfs/dbraw/zinc/35/03/22/929350322.db2.gz MEMLJZZENJTZJP-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCCC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001274962710 931616537 /nfs/dbraw/zinc/61/65/37/931616537.db2.gz SKMGXBGYXNEYOI-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200835 935420689 /nfs/dbraw/zinc/42/06/89/935420689.db2.gz HJOLGTRGCZMSBI-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009200835 935420691 /nfs/dbraw/zinc/42/06/91/935420691.db2.gz HJOLGTRGCZMSBI-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC(C)C)CC1 ZINC001039042361 935767323 /nfs/dbraw/zinc/76/73/23/935767323.db2.gz QMVSJDNLEVNZPX-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC(C)C)CC1 ZINC001039042361 935767325 /nfs/dbraw/zinc/76/73/25/935767325.db2.gz QMVSJDNLEVNZPX-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC001121938090 937892473 /nfs/dbraw/zinc/89/24/73/937892473.db2.gz RLEGJMIHTJABFB-UPJWGTAASA-N 1 3 253.390 1.256 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158486675 938629334 /nfs/dbraw/zinc/62/93/34/938629334.db2.gz GSNDRUAZQLEJGF-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158486675 938629336 /nfs/dbraw/zinc/62/93/36/938629336.db2.gz GSNDRUAZQLEJGF-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853478 938757383 /nfs/dbraw/zinc/75/73/83/938757383.db2.gz FPYVVRYYJPRSSO-CQSZACIVSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC001160457076 938788392 /nfs/dbraw/zinc/78/83/92/938788392.db2.gz WYMVNDGBIGKVQT-HNNXBMFYSA-N 1 3 281.444 1.908 20 30 CDEDHO C[C@@H]1CCN(Cc2cncc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205625942 939910044 /nfs/dbraw/zinc/91/00/44/939910044.db2.gz CRXBVEDDGIXMEI-IUODEOHRSA-N 1 3 258.369 1.760 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224576298 941772704 /nfs/dbraw/zinc/77/27/04/941772704.db2.gz KVYKDVBPNGMWBN-UHFFFAOYSA-N 1 3 295.471 1.979 20 30 CDEDHO CC#CCN1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168390 941827898 /nfs/dbraw/zinc/82/78/98/941827898.db2.gz WCXPSTJWIJOGSO-MRXNPFEDSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CCN1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168390 941827900 /nfs/dbraw/zinc/82/79/00/941827900.db2.gz WCXPSTJWIJOGSO-MRXNPFEDSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512920 944181847 /nfs/dbraw/zinc/18/18/47/944181847.db2.gz LWORUANNLHQCHM-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512920 944181854 /nfs/dbraw/zinc/18/18/54/944181854.db2.gz LWORUANNLHQCHM-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C[NH+]1CCC(CN2CCN([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254675085 947590743 /nfs/dbraw/zinc/59/07/43/947590743.db2.gz DXTGHVSSLXEHMB-IRXDYDNUSA-N 1 3 290.455 1.638 20 30 CDEDHO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001255162746 947759386 /nfs/dbraw/zinc/75/93/86/947759386.db2.gz YADMDMRAFFSAII-RBSFLKMASA-N 1 3 265.401 1.912 20 30 CDEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCCN(C)CC1 ZINC001246309704 948097394 /nfs/dbraw/zinc/09/73/94/948097394.db2.gz WLCJMVYLEPKKRB-CABCVRRESA-N 1 3 297.443 1.287 20 30 CDEDHO C[C@]1(CN)CCCC[N@@H+]([C@H]2CCN[C@H](C#N)C2)C1 ZINC001246597681 948334460 /nfs/dbraw/zinc/33/44/60/948334460.db2.gz YHXZREZEVRPNEB-MELADBBJSA-N 1 3 250.390 1.081 20 30 CDEDHO C[C@]1(CN)CCCC[N@H+]([C@H]2CCN[C@H](C#N)C2)C1 ZINC001246597681 948334467 /nfs/dbraw/zinc/33/44/67/948334467.db2.gz YHXZREZEVRPNEB-MELADBBJSA-N 1 3 250.390 1.081 20 30 CDEDHO N#C[C@@H]1C[C@@H](N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246604015 948337511 /nfs/dbraw/zinc/33/75/11/948337511.db2.gz MPHBPRYSFPZWEA-YESZJQIVSA-N 1 3 290.455 1.876 20 30 CDEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001493255474 955889267 /nfs/dbraw/zinc/88/92/67/955889267.db2.gz UQDLPHCYQGEJLN-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001493255474 955889282 /nfs/dbraw/zinc/88/92/82/955889282.db2.gz UQDLPHCYQGEJLN-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317161668 957313666 /nfs/dbraw/zinc/31/36/66/957313666.db2.gz JCTOSYMLCYJODS-GJZGRUSLSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH2+]C ZINC001341027696 963243343 /nfs/dbraw/zinc/24/33/43/963243343.db2.gz KGJWQOBINGKUBD-JKSUJKDBSA-N 1 3 289.423 1.617 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001341584459 963473377 /nfs/dbraw/zinc/47/33/77/963473377.db2.gz FPAMVKCOQOBOSK-STQMWFEESA-N 1 3 253.390 1.223 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001341677879 963507827 /nfs/dbraw/zinc/50/78/27/963507827.db2.gz USYBTJNERMUTEN-HUUCEWRRSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001341677879 963507831 /nfs/dbraw/zinc/50/78/31/963507831.db2.gz USYBTJNERMUTEN-HUUCEWRRSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001341715290 963520880 /nfs/dbraw/zinc/52/08/80/963520880.db2.gz TYLYFNHZNOGFSM-CABCVRRESA-N 1 3 279.428 1.614 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100382876 968180966 /nfs/dbraw/zinc/18/09/66/968180966.db2.gz AHAGRPVGCKRZFV-GPANFISMSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407685 968265064 /nfs/dbraw/zinc/26/50/64/968265064.db2.gz FKSPBNTVXHNKNJ-PESDSKBTSA-N 1 3 279.428 1.387 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133178665 1163596856 /nfs/dbraw/zinc/59/68/56/1163596856.db2.gz VWXHWIYSOFVRHH-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000596651447 343371247 /nfs/dbraw/zinc/37/12/47/343371247.db2.gz QFACYPZKYDDUQH-MAZHCROVSA-N 1 3 273.380 1.443 20 30 CDEDHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651447 343371249 /nfs/dbraw/zinc/37/12/49/343371249.db2.gz QFACYPZKYDDUQH-MAZHCROVSA-N 1 3 273.380 1.443 20 30 CDEDHO CC(C)[NH+]1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598713343 343880486 /nfs/dbraw/zinc/88/04/86/343880486.db2.gz BEZCYDZVLZNEBL-CQSZACIVSA-N 1 3 267.417 1.750 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000447543644 362454415 /nfs/dbraw/zinc/45/44/15/362454415.db2.gz RTLKTQHLUQCEOD-QWHCGFSZSA-N 1 3 251.374 1.115 20 30 CDEDHO CCNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264137628 362976364 /nfs/dbraw/zinc/97/63/64/362976364.db2.gz VSBFJJVGMYMJNV-UHFFFAOYSA-N 1 3 262.401 1.951 20 30 CDEDHO C=CCN1CC[C@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000337127263 359995526 /nfs/dbraw/zinc/99/55/26/359995526.db2.gz GOYKUTQEIMRVND-HNNXBMFYSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000081731875 369991979 /nfs/dbraw/zinc/99/19/79/369991979.db2.gz HADNXPQQEJAOHP-CQSZACIVSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417543969 377931071 /nfs/dbraw/zinc/93/10/71/377931071.db2.gz VLYDEGHDYISJSP-ZFWWWQNUSA-N 1 3 294.443 1.454 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417537598 377903442 /nfs/dbraw/zinc/90/34/42/377903442.db2.gz ZTWSOGQRRLSFFV-UHFFFAOYSA-N 1 3 294.443 1.598 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417538597 377913362 /nfs/dbraw/zinc/91/33/62/377913362.db2.gz NLLILUYRRYSXJD-OAHLLOKOSA-N 1 3 294.443 1.550 20 30 CDEDHO C=CCOc1cccc(CN(C)CCN2CC[NH2+]CC2)c1 ZINC000647493381 390969697 /nfs/dbraw/zinc/96/96/97/390969697.db2.gz KLYFRVJVVZXWKQ-UHFFFAOYSA-N 1 3 289.423 1.588 20 30 CDEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000333562036 228204538 /nfs/dbraw/zinc/20/45/38/228204538.db2.gz LCTLRSRZJIOKLK-CAEXGNQWSA-N 1 3 263.385 1.425 20 30 CDEDHO C[C@@H]1CN(CCCNC(=[NH2+])Nc2ccccc2)CCCO1 ZINC000277294523 263040541 /nfs/dbraw/zinc/04/05/41/263040541.db2.gz KSCTXTASISDRSG-CQSZACIVSA-N 1 3 290.411 1.914 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C(C)C ZINC000165202907 264210462 /nfs/dbraw/zinc/21/04/62/264210462.db2.gz DECRTHGWCBRROR-GDBMZVCRSA-N 1 3 297.418 1.503 20 30 CDEDHO CC#CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000584181888 327061499 /nfs/dbraw/zinc/06/14/99/327061499.db2.gz LGMDFFWYJKONKN-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C[C@@H]1CCC[C@@](C[NH+]=C(N(C)C)N(C)C)(N(C)C)C1 ZINC000261998736 329996085 /nfs/dbraw/zinc/99/60/85/329996085.db2.gz OPKGKHZTEDNXGS-UKRRQHHQSA-N 1 3 268.449 1.976 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000263065522 330041793 /nfs/dbraw/zinc/04/17/93/330041793.db2.gz GCSISKKBKIGNLC-ZOBORPQBSA-N 1 3 282.432 1.189 20 30 CDEDHO C[NH2+]Cc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424056882 330218498 /nfs/dbraw/zinc/21/84/98/330218498.db2.gz IQGRGUZZMQIXHZ-CYBMUJFWSA-N 1 3 260.341 1.366 20 30 CDEDHO CC(C)[NH+](CCNC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424137234 330274703 /nfs/dbraw/zinc/27/47/03/330274703.db2.gz OQMUXGSCKAWFKH-CYBMUJFWSA-N 1 3 268.405 1.243 20 30 CDEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001755385684 1160124673 /nfs/dbraw/zinc/12/46/73/1160124673.db2.gz AYHPCDHMTJHALL-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538207 1162209656 /nfs/dbraw/zinc/20/96/56/1162209656.db2.gz CBTGFLUVQCMGCO-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538207 1162209661 /nfs/dbraw/zinc/20/96/61/1162209661.db2.gz CBTGFLUVQCMGCO-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353777315 526443098 /nfs/dbraw/zinc/44/30/98/526443098.db2.gz XQTGJNVIDULJKO-MRXNPFEDSA-N 1 3 291.439 1.627 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000764441080 575907313 /nfs/dbraw/zinc/90/73/13/575907313.db2.gz JZDMISISMLWTRA-INIZCTEOSA-N 1 3 289.423 1.832 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000945180119 613131589 /nfs/dbraw/zinc/13/15/89/613131589.db2.gz KQLUPDMSFVFMAU-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000945180119 613131590 /nfs/dbraw/zinc/13/15/90/613131590.db2.gz KQLUPDMSFVFMAU-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947934264 613596195 /nfs/dbraw/zinc/59/61/95/613596195.db2.gz JWOBCHABAFALTF-CABCVRRESA-N 1 3 289.423 1.075 20 30 CDEDHO Cc1cc(C#N)nc(NCC[N@@H+](C)CCCN(C)C)c1 ZINC000894521577 618934905 /nfs/dbraw/zinc/93/49/05/618934905.db2.gz QSROEVMQZFBEQW-UHFFFAOYSA-N 1 3 275.400 1.557 20 30 CDEDHO Cc1cc(C#N)nc(NCC[N@H+](C)CCCN(C)C)c1 ZINC000894521577 618934908 /nfs/dbraw/zinc/93/49/08/618934908.db2.gz QSROEVMQZFBEQW-UHFFFAOYSA-N 1 3 275.400 1.557 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028873915 1160087589 /nfs/dbraw/zinc/08/75/89/1160087589.db2.gz ZKNKFGOQBSWIBB-MRXNPFEDSA-N 1 3 299.418 1.433 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819465 1163907314 /nfs/dbraw/zinc/90/73/14/1163907314.db2.gz CMIHFYVBLGPNAH-CYBMUJFWSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC001574908353 1171045954 /nfs/dbraw/zinc/04/59/54/1171045954.db2.gz KSGSDFFCOSYMNO-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC001574908353 1171045961 /nfs/dbraw/zinc/04/59/61/1171045961.db2.gz KSGSDFFCOSYMNO-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217572647 1177639065 /nfs/dbraw/zinc/63/90/65/1177639065.db2.gz SDYGEGSCDUCJLN-GDBMZVCRSA-N 1 3 273.380 1.523 20 30 CDEDHO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217572647 1177639067 /nfs/dbraw/zinc/63/90/67/1177639067.db2.gz SDYGEGSCDUCJLN-GDBMZVCRSA-N 1 3 273.380 1.523 20 30 CDEDHO C=C(C)CC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001752484709 1184870837 /nfs/dbraw/zinc/87/08/37/1184870837.db2.gz QWTKVPSZMFQQIS-GOEBONIOSA-N 1 3 293.455 1.779 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)CCC ZINC001753038078 1185005022 /nfs/dbraw/zinc/00/50/22/1185005022.db2.gz OOPGLNODVBHQAF-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)CCC ZINC001753038078 1185005028 /nfs/dbraw/zinc/00/50/28/1185005028.db2.gz OOPGLNODVBHQAF-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001753232014 1185126237 /nfs/dbraw/zinc/12/62/37/1185126237.db2.gz HIXCDCKUKUEBQC-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001753845211 1185355628 /nfs/dbraw/zinc/35/56/28/1185355628.db2.gz WXNCNJSDEIAWHX-AWEZNQCLSA-N 1 3 278.400 1.567 20 30 CDEDHO C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001754103162 1185465638 /nfs/dbraw/zinc/46/56/38/1185465638.db2.gz ILRKCCQDMPWOJT-NNTXTVRGSA-N 1 3 265.401 1.309 20 30 CDEDHO C=CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001754521549 1185656126 /nfs/dbraw/zinc/65/61/26/1185656126.db2.gz JVWJWIXUBQQFFP-UHFFFAOYSA-N 1 3 279.428 1.675 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001755388928 1185938192 /nfs/dbraw/zinc/93/81/92/1185938192.db2.gz MAVPUDRLEXAWSN-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001755388928 1185938196 /nfs/dbraw/zinc/93/81/96/1185938196.db2.gz MAVPUDRLEXAWSN-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001755735659 1186052816 /nfs/dbraw/zinc/05/28/16/1186052816.db2.gz LMNOFZHFYFCTBQ-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001755748184 1186056589 /nfs/dbraw/zinc/05/65/89/1186056589.db2.gz RSMFHXZHGRFQBO-KGLIPLIRSA-N 1 3 290.411 1.711 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846179 1163930685 /nfs/dbraw/zinc/93/06/85/1163930685.db2.gz VLJKSHYBZVDXJZ-KGLIPLIRSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856592 1163932909 /nfs/dbraw/zinc/93/29/09/1163932909.db2.gz KOWLCNBYMGEEAE-INIZCTEOSA-N 1 3 299.434 1.871 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896848 1163954569 /nfs/dbraw/zinc/95/45/69/1163954569.db2.gz RKUWGNRVCNASNK-UHFFFAOYSA-N 1 3 267.417 1.390 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103033 896094854 /nfs/dbraw/zinc/09/48/54/896094854.db2.gz DFQBGZZDBFTMAD-FVCCEPFGSA-N 1 3 285.819 1.316 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022103033 896094863 /nfs/dbraw/zinc/09/48/63/896094863.db2.gz DFQBGZZDBFTMAD-FVCCEPFGSA-N 1 3 285.819 1.316 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639056 898832882 /nfs/dbraw/zinc/83/28/82/898832882.db2.gz JNSCRDDRQZFUIV-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027629614 900690337 /nfs/dbraw/zinc/69/03/37/900690337.db2.gz YYWGXIYAXVTZFF-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027629614 900690341 /nfs/dbraw/zinc/69/03/41/900690341.db2.gz YYWGXIYAXVTZFF-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C[C@@H](C[NH+]=C(N(C)C)N(C)C)N1CCCC[C@@H]1C ZINC000262021940 904829725 /nfs/dbraw/zinc/82/97/25/904829725.db2.gz YBRQACBALKFOJD-STQMWFEESA-N 1 3 254.422 1.729 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330382 921234338 /nfs/dbraw/zinc/23/43/38/921234338.db2.gz SBXMWEVGQDGSOO-MRXNPFEDSA-N 1 3 299.418 1.576 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830154 909957715 /nfs/dbraw/zinc/95/77/15/909957715.db2.gz QJBUTPQHIJLXHQ-TZMCWYRMSA-N 1 3 274.368 1.061 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830154 909957731 /nfs/dbraw/zinc/95/77/31/909957731.db2.gz QJBUTPQHIJLXHQ-TZMCWYRMSA-N 1 3 274.368 1.061 20 30 CDEDHO C[C@H](CCCC#N)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001172503274 911737500 /nfs/dbraw/zinc/73/75/00/911737500.db2.gz YLDSQJUDUVYNMO-MRXNPFEDSA-N 1 3 278.444 1.782 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091857 921717819 /nfs/dbraw/zinc/71/78/19/921717819.db2.gz NPPSKDNIJNXVRM-RBSFLKMASA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091857 921717825 /nfs/dbraw/zinc/71/78/25/921717825.db2.gz NPPSKDNIJNXVRM-RBSFLKMASA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178990123 915719931 /nfs/dbraw/zinc/71/99/31/915719931.db2.gz IQGSTJRGIYUTTC-SOUVJXGZSA-N 1 3 297.443 1.108 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609350 915904717 /nfs/dbraw/zinc/90/47/17/915904717.db2.gz PCAQNEHUBCHHIS-AWEZNQCLSA-N 1 3 269.433 1.779 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580848 915907279 /nfs/dbraw/zinc/90/72/79/915907279.db2.gz SMAOAPBGFWPOQC-MRXNPFEDSA-N 1 3 293.455 1.760 20 30 CDEDHO CC[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CCCC1 ZINC000303887017 935047024 /nfs/dbraw/zinc/04/70/24/935047024.db2.gz KQJVUAZCMFIBFO-ZIAGYGMSSA-N 1 3 266.433 1.907 20 30 CDEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303902537 935047161 /nfs/dbraw/zinc/04/71/61/935047161.db2.gz XVTWMTCITHCOOF-OAHLLOKOSA-N 1 3 295.475 1.061 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])NCCC(C)C)N1CCCC1 ZINC000303900219 935047607 /nfs/dbraw/zinc/04/76/07/935047607.db2.gz SDGRSLDRIICSTF-ZDUSSCGKSA-N 1 3 254.422 1.811 20 30 CDEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052713255 936398506 /nfs/dbraw/zinc/39/85/06/936398506.db2.gz UJZFEWPVIMUGSS-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052713255 936398511 /nfs/dbraw/zinc/39/85/11/936398511.db2.gz UJZFEWPVIMUGSS-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001032027462 917604951 /nfs/dbraw/zinc/60/49/51/917604951.db2.gz SEGTTXCREIZWRL-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183392574 918470115 /nfs/dbraw/zinc/47/01/15/918470115.db2.gz YLFUVKYZQHSSPF-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183392574 918470119 /nfs/dbraw/zinc/47/01/19/918470119.db2.gz YLFUVKYZQHSSPF-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050546 936554631 /nfs/dbraw/zinc/55/46/31/936554631.db2.gz GCEGEAYTKHYRNI-QKPAOTATSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050546 936554633 /nfs/dbraw/zinc/55/46/33/936554633.db2.gz GCEGEAYTKHYRNI-QKPAOTATSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273487695 919192168 /nfs/dbraw/zinc/19/21/68/919192168.db2.gz OKXULZJGZAYJCV-MRXNPFEDSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273487695 919192173 /nfs/dbraw/zinc/19/21/73/919192173.db2.gz OKXULZJGZAYJCV-MRXNPFEDSA-N 1 3 279.428 1.439 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185660143 919698113 /nfs/dbraw/zinc/69/81/13/919698113.db2.gz YQAQRZDJQZVWAE-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000999870952 919800864 /nfs/dbraw/zinc/80/08/64/919800864.db2.gz QIQRRFUMPZWTFD-UHFFFAOYSA-N 1 3 299.418 1.574 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001074710861 936739876 /nfs/dbraw/zinc/73/98/76/936739876.db2.gz IJXXBIYAVMPDFD-RWMBFGLXSA-N 1 3 253.390 1.092 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005185131 922243482 /nfs/dbraw/zinc/24/34/82/922243482.db2.gz QPEPUUQIZZHQFH-OAHLLOKOSA-N 1 3 277.412 1.027 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099159344 936781377 /nfs/dbraw/zinc/78/13/77/936781377.db2.gz DDBWQYPBXQFMDW-YCPHGPKFSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099159344 936781379 /nfs/dbraw/zinc/78/13/79/936781379.db2.gz DDBWQYPBXQFMDW-YCPHGPKFSA-N 1 3 277.412 1.095 20 30 CDEDHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254579 922946843 /nfs/dbraw/zinc/94/68/43/922946843.db2.gz LRDMBBWCBBQIQJ-UHFFFAOYSA-N 1 3 289.423 1.030 20 30 CDEDHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254579 922946857 /nfs/dbraw/zinc/94/68/57/922946857.db2.gz LRDMBBWCBBQIQJ-UHFFFAOYSA-N 1 3 289.423 1.030 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036227440 923124364 /nfs/dbraw/zinc/12/43/64/923124364.db2.gz XTYNNMPNJSCTIE-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551106 923129694 /nfs/dbraw/zinc/12/96/94/923129694.db2.gz NUGJOUIIRWDBDJ-AWEZNQCLSA-N 1 3 276.384 1.451 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551106 923129704 /nfs/dbraw/zinc/12/97/04/923129704.db2.gz NUGJOUIIRWDBDJ-AWEZNQCLSA-N 1 3 276.384 1.451 20 30 CDEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000923383998 923794067 /nfs/dbraw/zinc/79/40/67/923794067.db2.gz PUHZOOHNEQPNIF-RBSFLKMASA-N 1 3 289.379 1.157 20 30 CDEDHO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000923383893 923794900 /nfs/dbraw/zinc/79/49/00/923794900.db2.gz NXQCUQFTNGHENY-KFWWJZLASA-N 1 3 259.353 1.451 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219916 936947408 /nfs/dbraw/zinc/94/74/08/936947408.db2.gz QIRLJRHVDCSKDJ-OAHLLOKOSA-N 1 3 291.439 1.653 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219916 936947409 /nfs/dbraw/zinc/94/74/09/936947409.db2.gz QIRLJRHVDCSKDJ-OAHLLOKOSA-N 1 3 291.439 1.653 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053631 926194143 /nfs/dbraw/zinc/19/41/43/926194143.db2.gz VDICRBCDFPPCEC-OAHLLOKOSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086667 937120892 /nfs/dbraw/zinc/12/08/92/937120892.db2.gz MNQQAAVDDSJUCG-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086667 937120894 /nfs/dbraw/zinc/12/08/94/937120894.db2.gz MNQQAAVDDSJUCG-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245496 937347442 /nfs/dbraw/zinc/34/74/42/937347442.db2.gz IRNWJDFUQHXVQQ-UHFFFAOYSA-N 1 3 275.396 1.644 20 30 CDEDHO C[NH+](C)CCOCCNC1CC(C#N)(c2ccccc2)C1 ZINC000219310259 930831145 /nfs/dbraw/zinc/83/11/45/930831145.db2.gz KOIJFBDYRSZZRO-UHFFFAOYSA-N 1 3 287.407 1.778 20 30 CDEDHO C#CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1CCN(C)CC1 ZINC000886578683 930913153 /nfs/dbraw/zinc/91/31/53/930913153.db2.gz HOENMGJHPHNINT-CQSZACIVSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154001808 937489806 /nfs/dbraw/zinc/48/98/06/937489806.db2.gz WVYSCBLGCYGUCA-ZIAGYGMSSA-N 1 3 267.417 1.177 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154001808 937489808 /nfs/dbraw/zinc/48/98/08/937489808.db2.gz WVYSCBLGCYGUCA-ZIAGYGMSSA-N 1 3 267.417 1.177 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455116 937546521 /nfs/dbraw/zinc/54/65/21/937546521.db2.gz GFUDPBUPVIRTDG-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146592999 932268284 /nfs/dbraw/zinc/26/82/84/932268284.db2.gz LRXDDKZMMOBFFR-CHWSQXEVSA-N 1 3 289.851 1.952 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593862 932269827 /nfs/dbraw/zinc/26/98/27/932269827.db2.gz QSOKIXCZZDHLAJ-ZIAGYGMSSA-N 1 3 267.417 1.223 20 30 CDEDHO CN(C)CCN1CC[N@@H+](C2CCC(C#N)CC2)CCC1=O ZINC001256973548 932725388 /nfs/dbraw/zinc/72/53/88/932725388.db2.gz SMTCCFYMJMRBEL-UHFFFAOYSA-N 1 3 292.427 1.165 20 30 CDEDHO CN(C)CCN1CC[N@H+](C2CCC(C#N)CC2)CCC1=O ZINC001256973548 932725391 /nfs/dbraw/zinc/72/53/91/932725391.db2.gz SMTCCFYMJMRBEL-UHFFFAOYSA-N 1 3 292.427 1.165 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092011344 932909879 /nfs/dbraw/zinc/90/98/79/932909879.db2.gz UQHPLNFXBFMRMC-INMHGKMJSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092011344 932909884 /nfs/dbraw/zinc/90/98/84/932909884.db2.gz UQHPLNFXBFMRMC-INMHGKMJSA-N 1 3 291.439 1.295 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000925892971 932949900 /nfs/dbraw/zinc/94/99/00/932949900.db2.gz ITXQETHWJZNDOF-UONOGXRCSA-N 1 3 273.384 1.472 20 30 CDEDHO N#Cc1ccc(NCC[NH2+][C@@H]2CCCC[C@H]2CN)nc1 ZINC000925892971 932949906 /nfs/dbraw/zinc/94/99/06/932949906.db2.gz ITXQETHWJZNDOF-UONOGXRCSA-N 1 3 273.384 1.472 20 30 CDEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CC#N ZINC000931272813 933529300 /nfs/dbraw/zinc/52/93/00/933529300.db2.gz ZVKIPFZPQBPBDC-MRXNPFEDSA-N 1 3 275.396 1.845 20 30 CDEDHO N#CC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000931747373 933618676 /nfs/dbraw/zinc/61/86/76/933618676.db2.gz NWQKVVOWEUDOJJ-RCCFBDPRSA-N 1 3 299.418 1.715 20 30 CDEDHO N#CC[C@@H](O)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000931747373 933618680 /nfs/dbraw/zinc/61/86/80/933618680.db2.gz NWQKVVOWEUDOJJ-RCCFBDPRSA-N 1 3 299.418 1.715 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006445035 934504096 /nfs/dbraw/zinc/50/40/96/934504096.db2.gz YRVLZBNUSFPIMM-GASCZTMLSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006445035 934504101 /nfs/dbraw/zinc/50/41/01/934504101.db2.gz YRVLZBNUSFPIMM-GASCZTMLSA-N 1 3 293.455 1.968 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncc(C)s1 ZINC000304787494 935088047 /nfs/dbraw/zinc/08/80/47/935088047.db2.gz IYBZXEGAKVNFAR-NSHDSACASA-N 1 3 281.429 1.340 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300126 935400722 /nfs/dbraw/zinc/40/07/22/935400722.db2.gz VOJCXSKFXVCBQL-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008300126 935400725 /nfs/dbraw/zinc/40/07/25/935400725.db2.gz VOJCXSKFXVCBQL-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705368 935547148 /nfs/dbraw/zinc/54/71/48/935547148.db2.gz PAORXBWPZXQGRY-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705368 935547153 /nfs/dbraw/zinc/54/71/53/935547153.db2.gz PAORXBWPZXQGRY-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930173 935593086 /nfs/dbraw/zinc/59/30/86/935593086.db2.gz JDRQQSVMXUWDFG-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001016330317 935611280 /nfs/dbraw/zinc/61/12/80/935611280.db2.gz FYYNLWWKNAVHAQ-INIZCTEOSA-N 1 3 289.423 1.098 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001016330317 935611281 /nfs/dbraw/zinc/61/12/81/935611281.db2.gz FYYNLWWKNAVHAQ-INIZCTEOSA-N 1 3 289.423 1.098 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001017944534 935655785 /nfs/dbraw/zinc/65/57/85/935655785.db2.gz MAXFJAWVXAZYDC-WCVJEAGWSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001017944534 935655789 /nfs/dbraw/zinc/65/57/89/935655789.db2.gz MAXFJAWVXAZYDC-WCVJEAGWSA-N 1 3 291.439 1.435 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001019382992 935702878 /nfs/dbraw/zinc/70/28/78/935702878.db2.gz RSLQGUXOPBVHJT-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001039301037 935771116 /nfs/dbraw/zinc/77/11/16/935771116.db2.gz COTBRUCSVMFYJE-LQDVMPOASA-N 1 3 288.395 1.640 20 30 CDEDHO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041353436 935798744 /nfs/dbraw/zinc/79/87/44/935798744.db2.gz HNIRYPXMNVJWGA-KRWDZBQOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041353436 935798745 /nfs/dbraw/zinc/79/87/45/935798745.db2.gz HNIRYPXMNVJWGA-KRWDZBQOSA-N 1 3 289.423 1.028 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(OC)cc(C#N)n1 ZINC001163125493 939205616 /nfs/dbraw/zinc/20/56/16/939205616.db2.gz CRLCCKODGUGSSP-UHFFFAOYSA-N 1 3 290.371 1.240 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485241 939567637 /nfs/dbraw/zinc/56/76/37/939567637.db2.gz QDASXXYIYYQSHF-AWEZNQCLSA-N 1 3 279.428 1.389 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744414 939634443 /nfs/dbraw/zinc/63/44/43/939634443.db2.gz VRVNYCAOURQMED-UHFFFAOYSA-N 1 3 289.851 1.813 20 30 CDEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928745 940113218 /nfs/dbraw/zinc/11/32/18/940113218.db2.gz HPATVAUCFKVLLD-UHFFFAOYSA-N 1 3 299.846 1.663 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208453648 940332871 /nfs/dbraw/zinc/33/28/71/940332871.db2.gz MIHGLTJFPJXOPH-ZDUSSCGKSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001220494580 941450696 /nfs/dbraw/zinc/45/06/96/941450696.db2.gz ORBFFKLTCVFRKM-ZDUSSCGKSA-N 1 3 267.417 1.838 20 30 CDEDHO CN(Cc1cc(C#N)ccn1)CC1CC[NH+](C)CC1 ZINC001232480924 943294534 /nfs/dbraw/zinc/29/45/34/943294534.db2.gz NUUUTRIGDWUFMP-UHFFFAOYSA-N 1 3 258.369 1.727 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](C)N)CC2 ZINC001235577273 944206311 /nfs/dbraw/zinc/20/63/11/944206311.db2.gz ZCHCLUJBDWWQRY-HIFRSBDPSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)N)CC2 ZINC001235577273 944206316 /nfs/dbraw/zinc/20/63/16/944206316.db2.gz ZCHCLUJBDWWQRY-HIFRSBDPSA-N 1 3 265.401 1.367 20 30 CDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001261456233 946125795 /nfs/dbraw/zinc/12/57/95/946125795.db2.gz QVYTZFHULGXKSN-ZDUSSCGKSA-N 1 3 258.325 1.249 20 30 CDEDHO N#CCCCCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164006 947317602 /nfs/dbraw/zinc/31/76/02/947317602.db2.gz DJANGKAXLOFHSK-UHFFFAOYSA-N 1 3 278.404 1.233 20 30 CDEDHO N#C[C@@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001254657170 947574938 /nfs/dbraw/zinc/57/49/38/947574938.db2.gz OBSDBMOYNRNHPW-ZIAGYGMSSA-N 1 3 250.390 1.035 20 30 CDEDHO C=C1C[C@@H]2CC([NH2+]CCCC[C@H](N)C(N)=O)C[C@H](C1)C2 ZINC001246416787 948165476 /nfs/dbraw/zinc/16/54/76/948165476.db2.gz LVUAKYFQYCGGNN-IXXDHKBRSA-N 1 3 279.428 1.694 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256615080 948364750 /nfs/dbraw/zinc/36/47/50/948364750.db2.gz USKCLOBFNQUIDX-YHWZYXNKSA-N 1 3 252.358 1.321 20 30 CDEDHO Cc1cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)ccc1C#N ZINC001247828129 948804550 /nfs/dbraw/zinc/80/45/50/948804550.db2.gz ATCBZBCNWJQBJC-CYBMUJFWSA-N 1 3 295.346 1.193 20 30 CDEDHO C=CCOC[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252491683 951361927 /nfs/dbraw/zinc/36/19/27/951361927.db2.gz UAPRFWGJYLXYPY-BFHYXJOUSA-N 1 3 256.390 1.012 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001252491683 951361940 /nfs/dbraw/zinc/36/19/40/951361940.db2.gz UAPRFWGJYLXYPY-BFHYXJOUSA-N 1 3 256.390 1.012 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253585712 951977673 /nfs/dbraw/zinc/97/76/73/951977673.db2.gz ZAQFIARDAKESKK-ZNMIVQPWSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253585712 951977678 /nfs/dbraw/zinc/97/76/78/951977678.db2.gz ZAQFIARDAKESKK-ZNMIVQPWSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001253601514 951989323 /nfs/dbraw/zinc/98/93/23/951989323.db2.gz RBRSGNYDSWHPAR-QGZVFWFLSA-N 1 3 289.423 1.071 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317380325 956241369 /nfs/dbraw/zinc/24/13/69/956241369.db2.gz AUEPMQRKHYWSEL-GJZGRUSLSA-N 1 3 279.428 1.273 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317380325 956241383 /nfs/dbraw/zinc/24/13/83/956241383.db2.gz AUEPMQRKHYWSEL-GJZGRUSLSA-N 1 3 279.428 1.273 20 30 CDEDHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001336810913 960613118 /nfs/dbraw/zinc/61/31/18/960613118.db2.gz KZGAGCGGSUFEEW-UONOGXRCSA-N 1 3 267.417 1.609 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340105870 962748213 /nfs/dbraw/zinc/74/82/13/962748213.db2.gz PDLFHBKUWIGAJH-HUUCEWRRSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001340105870 962748217 /nfs/dbraw/zinc/74/82/17/962748217.db2.gz PDLFHBKUWIGAJH-HUUCEWRRSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001341618341 963485364 /nfs/dbraw/zinc/48/53/64/963485364.db2.gz HTEMLKYXOYLKCY-CVEARBPZSA-N 1 3 293.455 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001341618341 963485367 /nfs/dbraw/zinc/48/53/67/963485367.db2.gz HTEMLKYXOYLKCY-CVEARBPZSA-N 1 3 293.455 1.860 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001496612455 972989526 /nfs/dbraw/zinc/98/95/26/972989526.db2.gz NYLNSNJTWJHTIT-KGLIPLIRSA-N 1 3 269.433 1.633 20 30 CDEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000591570695 342637225 /nfs/dbraw/zinc/63/72/25/342637225.db2.gz CETVTISEHIRTKD-BRWVUGGUSA-N 1 3 290.455 1.875 20 30 CDEDHO CCCNC(=[NH2+])NCCc1ccc(OCCN(C)C)cc1 ZINC000264160452 362984027 /nfs/dbraw/zinc/98/40/27/362984027.db2.gz BFXFPTVLBJVQPU-UHFFFAOYSA-N 1 3 292.427 1.484 20 30 CDEDHO C=CCC[C@@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683019 364396487 /nfs/dbraw/zinc/39/64/87/364396487.db2.gz RCMKLCRFEFKCNK-MRXNPFEDSA-N 1 3 275.396 1.921 20 30 CDEDHO C=CCC[C@@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683019 364396491 /nfs/dbraw/zinc/39/64/91/364396491.db2.gz RCMKLCRFEFKCNK-MRXNPFEDSA-N 1 3 275.396 1.921 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000365488971 262367059 /nfs/dbraw/zinc/36/70/59/262367059.db2.gz FFDGMSYLPWEJAY-BARDWOONSA-N 1 3 263.385 1.522 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000365488971 262367062 /nfs/dbraw/zinc/36/70/62/262367062.db2.gz FFDGMSYLPWEJAY-BARDWOONSA-N 1 3 263.385 1.522 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)nc1 ZINC000104160481 390485908 /nfs/dbraw/zinc/48/59/08/390485908.db2.gz XNLLYGZZMUZHLA-GFCCVEGCSA-N 1 3 295.818 1.624 20 30 CDEDHO COC[C@@H](C)NC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000104157428 390486101 /nfs/dbraw/zinc/48/61/01/390486101.db2.gz XWIIDXUIMASEHC-CQSZACIVSA-N 1 3 292.427 1.448 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000152989296 390818569 /nfs/dbraw/zinc/81/85/69/390818569.db2.gz BAGDATFJORLFKH-ZBFHGGJFSA-N 1 3 265.445 1.957 20 30 CDEDHO C=CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000373253704 391112791 /nfs/dbraw/zinc/11/27/91/391112791.db2.gz BMJAQZVYQCZUEF-UHFFFAOYSA-N 1 3 265.445 1.912 20 30 CDEDHO CCC[N@H+](CCCC#N)CCN1CCN(CC)CC1 ZINC000344152491 391896900 /nfs/dbraw/zinc/89/69/00/391896900.db2.gz UGYBXWQQIBVJBO-UHFFFAOYSA-N 1 3 266.433 1.640 20 30 CDEDHO CCC[N@@H+](CCCC#N)CCN1CCN(CC)CC1 ZINC000344152491 391896902 /nfs/dbraw/zinc/89/69/02/391896902.db2.gz UGYBXWQQIBVJBO-UHFFFAOYSA-N 1 3 266.433 1.640 20 30 CDEDHO C=C[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654883699 413790455 /nfs/dbraw/zinc/79/04/55/413790455.db2.gz JVUXTRDSOMXBKT-AWEZNQCLSA-N 1 3 293.455 1.873 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1nccs1 ZINC000273355931 263016056 /nfs/dbraw/zinc/01/60/56/263016056.db2.gz BYUCPUWRAHXMCM-NWDGAFQWSA-N 1 3 295.456 1.635 20 30 CDEDHO C=CCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000438987308 263087674 /nfs/dbraw/zinc/08/76/74/263087674.db2.gz PMKRBVHXWHKTMQ-CQSZACIVSA-N 1 3 252.402 1.778 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291146 423917342 /nfs/dbraw/zinc/91/73/42/423917342.db2.gz BVCLQKDHNYSYPT-JKSUJKDBSA-N 1 3 291.439 1.485 20 30 CDEDHO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000357792856 327177199 /nfs/dbraw/zinc/17/71/99/327177199.db2.gz BSDUKESEQFJJQV-LBPRGKRZSA-N 1 3 259.353 1.914 20 30 CDEDHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000357792856 327177200 /nfs/dbraw/zinc/17/72/00/327177200.db2.gz BSDUKESEQFJJQV-LBPRGKRZSA-N 1 3 259.353 1.914 20 30 CDEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000151840787 327512160 /nfs/dbraw/zinc/51/21/60/327512160.db2.gz YDVKQVCLSRYHOP-UHFFFAOYSA-N 1 3 279.428 1.130 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1C ZINC000262195401 330001716 /nfs/dbraw/zinc/00/17/16/330001716.db2.gz RNIXKPJIVPIBJO-HZSPNIEDSA-N 1 3 266.433 1.811 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C)C1 ZINC000262486492 330016950 /nfs/dbraw/zinc/01/69/50/330016950.db2.gz SRZFQZDUAVSFQW-BFHYXJOUSA-N 1 3 266.433 1.811 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140625 330281193 /nfs/dbraw/zinc/28/11/93/330281193.db2.gz BMBVJKKFNWAXDN-UONOGXRCSA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000424174667 330314390 /nfs/dbraw/zinc/31/43/90/330314390.db2.gz NBYNRYXUZJPTOF-GFCCVEGCSA-N 1 3 290.342 1.431 20 30 CDEDHO CCCNC(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291834 331166770 /nfs/dbraw/zinc/16/67/70/331166770.db2.gz YOFFTKDQMVFYMO-HNNXBMFYSA-N 1 3 274.412 1.823 20 30 CDEDHO C#CCN(C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000491669265 332276901 /nfs/dbraw/zinc/27/69/01/332276901.db2.gz XIPPZRSSNYEHSA-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491692041 332288703 /nfs/dbraw/zinc/28/87/03/332288703.db2.gz HPKIWWXIDNGPEX-HUUCEWRRSA-N 1 3 294.443 1.066 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491692041 332288704 /nfs/dbraw/zinc/28/87/04/332288704.db2.gz HPKIWWXIDNGPEX-HUUCEWRRSA-N 1 3 294.443 1.066 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@H]2CCN(Cc3ccccc3)C2)N1 ZINC000261540829 334190620 /nfs/dbraw/zinc/19/06/20/334190620.db2.gz FIBXWUXVAANKRT-UKRRQHHQSA-N 1 3 272.396 1.446 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000344619431 534282627 /nfs/dbraw/zinc/28/26/27/534282627.db2.gz QSICVQMPPRJUPD-YPMHNXCESA-N 1 3 251.374 1.773 20 30 CDEDHO C#CCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000766894764 576143104 /nfs/dbraw/zinc/14/31/04/576143104.db2.gz GRCLXXUVMXTGME-CALCHBBNSA-N 1 3 277.456 1.890 20 30 CDEDHO C#CCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000766894764 576143108 /nfs/dbraw/zinc/14/31/08/576143108.db2.gz GRCLXXUVMXTGME-CALCHBBNSA-N 1 3 277.456 1.890 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779636 613704276 /nfs/dbraw/zinc/70/42/76/613704276.db2.gz QPNRUBPLMPPCFD-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779636 613704280 /nfs/dbraw/zinc/70/42/80/613704280.db2.gz QPNRUBPLMPPCFD-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO N#Cc1sccc1N1CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000903463793 625996514 /nfs/dbraw/zinc/99/65/14/625996514.db2.gz NCDZBQDIOLDQKH-QWHCGFSZSA-N 1 3 290.436 1.869 20 30 CDEDHO CC(C)[NH+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC(C)(C)C ZINC000912509615 630049648 /nfs/dbraw/zinc/04/96/48/630049648.db2.gz LTCQIAAZPGOILX-UONOGXRCSA-N 1 3 296.459 1.592 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348502 1158779702 /nfs/dbraw/zinc/77/97/02/1158779702.db2.gz HWCKCFTTXRGJAM-BZUAXINKSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157702528 1162299907 /nfs/dbraw/zinc/29/99/07/1162299907.db2.gz WCOXEOVWYDOWGS-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157702528 1162299911 /nfs/dbraw/zinc/29/99/11/1162299911.db2.gz WCOXEOVWYDOWGS-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028873914 1160087920 /nfs/dbraw/zinc/08/79/20/1160087920.db2.gz ZKNKFGOQBSWIBB-INIZCTEOSA-N 1 3 299.418 1.433 20 30 CDEDHO C#CCCN1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032207229 1161303090 /nfs/dbraw/zinc/30/30/90/1161303090.db2.gz IJDMEJMNWBKAIS-UHFFFAOYSA-N 1 3 299.418 1.433 20 30 CDEDHO C#CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000815212174 1164115162 /nfs/dbraw/zinc/11/51/62/1164115162.db2.gz LJVXQNIKQXCLIQ-YIONKMFJSA-N 1 3 250.386 1.583 20 30 CDEDHO C#CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000815212174 1164115165 /nfs/dbraw/zinc/11/51/65/1164115165.db2.gz LJVXQNIKQXCLIQ-YIONKMFJSA-N 1 3 250.386 1.583 20 30 CDEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001725271517 1181947966 /nfs/dbraw/zinc/94/79/66/1181947966.db2.gz QGDLUALIIXKESQ-UKRRQHHQSA-N 1 3 281.444 1.585 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001752505118 1184872956 /nfs/dbraw/zinc/87/29/56/1184872956.db2.gz VLCQWOVBXZTMJF-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001752505118 1184872964 /nfs/dbraw/zinc/87/29/64/1184872964.db2.gz VLCQWOVBXZTMJF-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001754604579 1185679453 /nfs/dbraw/zinc/67/94/53/1185679453.db2.gz PLIZMPJRHTVICT-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001755275912 1185886427 /nfs/dbraw/zinc/88/64/27/1185886427.db2.gz LGIHXMMDWOOKDF-UHFFFAOYSA-N 1 3 290.411 1.888 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001755735660 1186052995 /nfs/dbraw/zinc/05/29/95/1186052995.db2.gz LMNOFZHFYFCTBQ-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114404863 1164841112 /nfs/dbraw/zinc/84/11/12/1164841112.db2.gz IQKZWFTWSBGYHY-WDNDVIMCSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114404863 1164841118 /nfs/dbraw/zinc/84/11/18/1164841118.db2.gz IQKZWFTWSBGYHY-WDNDVIMCSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414477 1164921208 /nfs/dbraw/zinc/92/12/08/1164921208.db2.gz VCDVOIXNZYAVTL-QLPKVWCKSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414477 1164921212 /nfs/dbraw/zinc/92/12/12/1164921212.db2.gz VCDVOIXNZYAVTL-QLPKVWCKSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342852968 963841038 /nfs/dbraw/zinc/84/10/38/963841038.db2.gz NCWWBDKKMYZAKQ-ZDUSSCGKSA-N 1 3 253.390 1.271 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101174 1166965526 /nfs/dbraw/zinc/96/55/26/1166965526.db2.gz HEXDXLXTIQEITM-QCODTGAPSA-N 1 3 291.439 1.624 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097101174 1166965533 /nfs/dbraw/zinc/96/55/33/1166965533.db2.gz HEXDXLXTIQEITM-QCODTGAPSA-N 1 3 291.439 1.624 20 30 CDEDHO CC[N@@H+]1CC[C@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001173356380 912471069 /nfs/dbraw/zinc/47/10/69/912471069.db2.gz AFBSZQDWFJHMSZ-RYUDHWBXSA-N 1 3 252.383 1.355 20 30 CDEDHO CC[N@H+]1CC[C@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001173356380 912471075 /nfs/dbraw/zinc/47/10/75/912471075.db2.gz AFBSZQDWFJHMSZ-RYUDHWBXSA-N 1 3 252.383 1.355 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001266439193 894897123 /nfs/dbraw/zinc/89/71/23/894897123.db2.gz JNAJIVUVUGWYEZ-GJZGRUSLSA-N 1 3 281.444 1.633 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665518 914115403 /nfs/dbraw/zinc/11/54/03/914115403.db2.gz ZRDWJUUPUKPPOZ-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665377 914115761 /nfs/dbraw/zinc/11/57/61/914115761.db2.gz UMYNWKNCZIBGPJ-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176884961 914342113 /nfs/dbraw/zinc/34/21/13/914342113.db2.gz XGJHCWGIDDOKQG-UHFFFAOYSA-N 1 3 275.396 1.644 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972261 914409160 /nfs/dbraw/zinc/40/91/60/914409160.db2.gz SWZZGJJDAKBKQJ-AWEZNQCLSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327091 906903895 /nfs/dbraw/zinc/90/38/95/906903895.db2.gz FWKUGAAJUMDPNL-HNNXBMFYSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168345768 909136245 /nfs/dbraw/zinc/13/62/45/909136245.db2.gz TYYKPZAQQIJJQW-HNNXBMFYSA-N 1 3 291.439 1.370 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171508213 910807969 /nfs/dbraw/zinc/80/79/69/910807969.db2.gz BRNOBIVWJDVWQS-LSDHHAIUSA-N 1 3 281.444 1.615 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178689503 915564957 /nfs/dbraw/zinc/56/49/57/915564957.db2.gz ZMDJZLPFGFDGBF-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038652 917892293 /nfs/dbraw/zinc/89/22/93/917892293.db2.gz BUFAPZZMXGHHSI-ZIAGYGMSSA-N 1 3 267.417 1.197 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185091301 919400823 /nfs/dbraw/zinc/40/08/23/919400823.db2.gz TVAYLVGMJGVFEJ-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185091301 919400832 /nfs/dbraw/zinc/40/08/32/919400832.db2.gz TVAYLVGMJGVFEJ-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185347704 919537267 /nfs/dbraw/zinc/53/72/67/919537267.db2.gz KNBXHTFGVXAEQW-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C[C@@H]1C[C@]1(N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205687 936662763 /nfs/dbraw/zinc/66/27/63/936662763.db2.gz QZJREMPQBCBTAH-GDBMZVCRSA-N 1 3 277.412 1.128 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC=C(C)C)CC1 ZINC001152330928 925113132 /nfs/dbraw/zinc/11/31/32/925113132.db2.gz XUACJHMXTSQDMV-UHFFFAOYSA-N 1 3 277.412 1.004 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092679 925647956 /nfs/dbraw/zinc/64/79/56/925647956.db2.gz LPTGUZBIFZSTNQ-KFWWJZLASA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092679 925647961 /nfs/dbraw/zinc/64/79/61/925647961.db2.gz LPTGUZBIFZSTNQ-KFWWJZLASA-N 1 3 277.412 1.047 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330174 937053091 /nfs/dbraw/zinc/05/30/91/937053091.db2.gz HBGZYHVJEMJSEQ-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330174 937053094 /nfs/dbraw/zinc/05/30/94/937053094.db2.gz HBGZYHVJEMJSEQ-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663451 937150092 /nfs/dbraw/zinc/15/00/92/937150092.db2.gz BWFAEYVCTAYJKQ-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663451 937150094 /nfs/dbraw/zinc/15/00/94/937150094.db2.gz BWFAEYVCTAYJKQ-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086557448 929405436 /nfs/dbraw/zinc/40/54/36/929405436.db2.gz OFPODQRZWHWXTI-JCNLHEQBSA-N 1 3 299.418 1.479 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369880 929716923 /nfs/dbraw/zinc/71/69/23/929716923.db2.gz UFJLFRHPWNGNDD-HUUCEWRRSA-N 1 3 293.455 1.757 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC2CC(C)C2)CC1 ZINC001152330562 937354469 /nfs/dbraw/zinc/35/44/69/937354469.db2.gz RIZITGIGNJFBFH-UHFFFAOYSA-N 1 3 291.439 1.084 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153720364 937463641 /nfs/dbraw/zinc/46/36/41/937463641.db2.gz FCKQFNHKBZCAOQ-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153720364 937463643 /nfs/dbraw/zinc/46/36/43/937463643.db2.gz FCKQFNHKBZCAOQ-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930145 937483694 /nfs/dbraw/zinc/48/36/94/937483694.db2.gz GXGJWIOSGQXPPI-CABCVRRESA-N 1 3 281.444 1.423 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930145 937483696 /nfs/dbraw/zinc/48/36/96/937483696.db2.gz GXGJWIOSGQXPPI-CABCVRRESA-N 1 3 281.444 1.423 20 30 CDEDHO CC=C(NC=[NH2+])NC(=N)c1ccc2ccccc2n1 ZINC001171039237 931376233 /nfs/dbraw/zinc/37/62/33/931376233.db2.gz BREVEFXJFKGGRI-XNJYKOPJSA-N 1 3 253.309 1.998 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158487185 938628973 /nfs/dbraw/zinc/62/89/73/938628973.db2.gz WHNBFXVYXOHKIW-CVEARBPZSA-N 1 3 293.455 1.663 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158487185 938628974 /nfs/dbraw/zinc/62/89/74/938628974.db2.gz WHNBFXVYXOHKIW-CVEARBPZSA-N 1 3 293.455 1.663 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427515 938786182 /nfs/dbraw/zinc/78/61/82/938786182.db2.gz SLEOFNRLVPRQRF-AWEZNQCLSA-N 1 3 269.433 1.635 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161207877 938879102 /nfs/dbraw/zinc/87/91/02/938879102.db2.gz XLQQGLBSNHUDJQ-HNNXBMFYSA-N 1 3 289.423 1.242 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161207877 938879105 /nfs/dbraw/zinc/87/91/05/938879105.db2.gz XLQQGLBSNHUDJQ-HNNXBMFYSA-N 1 3 289.423 1.242 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161699567 938922464 /nfs/dbraw/zinc/92/24/64/938922464.db2.gz VCAXJZRSVWADRT-INIZCTEOSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161699567 938922465 /nfs/dbraw/zinc/92/24/65/938922465.db2.gz VCAXJZRSVWADRT-INIZCTEOSA-N 1 3 289.423 1.100 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651587 939699706 /nfs/dbraw/zinc/69/97/06/939699706.db2.gz OFERCIGPFJERDP-GJZGRUSLSA-N 1 3 293.455 1.921 20 30 CDEDHO C#Cc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205688820 939920395 /nfs/dbraw/zinc/92/03/95/939920395.db2.gz KEQBTJZNQLFSPL-MRXNPFEDSA-N 1 3 258.365 1.344 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210314894 940682563 /nfs/dbraw/zinc/68/25/63/940682563.db2.gz KKBLROSPGVBXDH-HIFRSBDPSA-N 1 3 264.369 1.017 20 30 CDEDHO CCCCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276734 941431177 /nfs/dbraw/zinc/43/11/77/941431177.db2.gz JRARGRXVYPFFDM-CABCVRRESA-N 1 3 299.459 1.070 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224538632 941766713 /nfs/dbraw/zinc/76/67/13/941766713.db2.gz YMOYYBOUVJFQRE-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN(CC)CC)CC1 ZINC001224910652 941804631 /nfs/dbraw/zinc/80/46/31/941804631.db2.gz CHHNUPCBMLFTAK-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001227620103 942197941 /nfs/dbraw/zinc/19/79/41/942197941.db2.gz ZITPKMZPCHKQLH-HNNXBMFYSA-N 1 3 297.418 1.270 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001227628502 942199216 /nfs/dbraw/zinc/19/92/16/942199216.db2.gz BMCLSVCWGYODHL-CQSZACIVSA-N 1 3 285.407 1.433 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001229186466 942430077 /nfs/dbraw/zinc/43/00/77/942430077.db2.gz WOYGVRHSXIATHX-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO O=C1C=C2CN([C@@H]3CC4CC[NH+](CC4)C3)CCC2S1 ZINC001254857259 947634155 /nfs/dbraw/zinc/63/41/55/947634155.db2.gz ZCGNQYNMLNJKNT-KGLIPLIRSA-N 1 3 278.421 1.745 20 30 CDEDHO C=CCCCCCC[C@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047175 947914738 /nfs/dbraw/zinc/91/47/38/947914738.db2.gz PXMNMLPXJUOEKY-TVXGVJEUSA-N 1 3 296.455 1.779 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001253576798 951962678 /nfs/dbraw/zinc/96/26/78/951962678.db2.gz HUMAHFQQKOTQJU-BZSNNMDCSA-N 1 3 286.419 1.906 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001340709342 963083335 /nfs/dbraw/zinc/08/33/35/963083335.db2.gz OADKIFKCKCMXKL-ZNMIVQPWSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001340709342 963083350 /nfs/dbraw/zinc/08/33/50/963083350.db2.gz OADKIFKCKCMXKL-ZNMIVQPWSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001340709342 963083360 /nfs/dbraw/zinc/08/33/60/963083360.db2.gz OADKIFKCKCMXKL-ZNMIVQPWSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001340805813 963133275 /nfs/dbraw/zinc/13/32/75/963133275.db2.gz AVYXULYSABPHOC-ZIAGYGMSSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC001341453092 963419733 /nfs/dbraw/zinc/41/97/33/963419733.db2.gz VXSAOFSGSFWDPO-QWHCGFSZSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001341677722 963508809 /nfs/dbraw/zinc/50/88/09/963508809.db2.gz RKZKOWSDXRMARV-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001341677722 963508814 /nfs/dbraw/zinc/50/88/14/963508814.db2.gz RKZKOWSDXRMARV-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001341746713 963526699 /nfs/dbraw/zinc/52/66/99/963526699.db2.gz BAODSESFSIPMDY-CQSZACIVSA-N 1 3 291.399 1.430 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C ZINC001343303363 963947701 /nfs/dbraw/zinc/94/77/01/963947701.db2.gz WGMIQNKOLOQZOD-QWHCGFSZSA-N 1 3 253.390 1.271 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794827 1163482974 /nfs/dbraw/zinc/48/29/74/1163482974.db2.gz HFZMXGXPGUHWET-INIZCTEOSA-N 1 3 291.439 1.513 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794827 1163482977 /nfs/dbraw/zinc/48/29/77/1163482977.db2.gz HFZMXGXPGUHWET-INIZCTEOSA-N 1 3 291.439 1.513 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000449122484 362626304 /nfs/dbraw/zinc/62/63/04/362626304.db2.gz LJZRRICWSOSJKJ-AWEZNQCLSA-N 1 3 281.444 1.777 20 30 CDEDHO C[N@@H+]1CCC[C@H](CCNCc2cccc(C#N)n2)C1 ZINC000602687366 350141749 /nfs/dbraw/zinc/14/17/49/350141749.db2.gz KTKLUXXQOYASJT-CYBMUJFWSA-N 1 3 258.369 1.775 20 30 CDEDHO C[N@H+]1CCC[C@H](CCNCc2cccc(C#N)n2)C1 ZINC000602687366 350141755 /nfs/dbraw/zinc/14/17/55/350141755.db2.gz KTKLUXXQOYASJT-CYBMUJFWSA-N 1 3 258.369 1.775 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1 ZINC000264115249 362970686 /nfs/dbraw/zinc/97/06/86/362970686.db2.gz PPQBPUMVPCWBQZ-AWEZNQCLSA-N 1 3 290.411 1.584 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1c[nH]nc1C ZINC000264112067 362970805 /nfs/dbraw/zinc/97/08/05/362970805.db2.gz PAYHLDJCTMWXJK-AWEZNQCLSA-N 1 3 292.431 1.039 20 30 CDEDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C#N)cc1 ZINC000271851319 296119411 /nfs/dbraw/zinc/11/94/11/296119411.db2.gz IPWAJQPBVRSSPC-CYBMUJFWSA-N 1 3 273.380 1.666 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000583312015 373706371 /nfs/dbraw/zinc/70/63/71/373706371.db2.gz QUTDKNNXTYSHMJ-UHFFFAOYSA-N 1 3 282.432 1.324 20 30 CDEDHO C=C[C@@H](CO)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873339 378350589 /nfs/dbraw/zinc/35/05/89/378350589.db2.gz RPKWUOOTQMEBQS-ZFWWWQNUSA-N 1 3 278.396 1.825 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000058326861 390499153 /nfs/dbraw/zinc/49/91/53/390499153.db2.gz QGYYFUJEQGTNGP-LBPRGKRZSA-N 1 3 254.422 1.954 20 30 CDEDHO CN(C)CCNC(=O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345710038 391311426 /nfs/dbraw/zinc/31/14/26/391311426.db2.gz CLPNWZJMZZHABZ-UHFFFAOYSA-N 1 3 294.443 1.316 20 30 CDEDHO C[C@H]1C[NH+]=C(NCc2ccccc2OCCN(C)C)N1 ZINC000262477781 391791074 /nfs/dbraw/zinc/79/10/74/391791074.db2.gz CJPPVHPNPKHDKE-LBPRGKRZSA-N 1 3 276.384 1.064 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCCc2ccc(OCCN(C)C)cc2)N1 ZINC000262690080 391813472 /nfs/dbraw/zinc/81/34/72/391813472.db2.gz ZYPGDUBOQREOJX-CYBMUJFWSA-N 1 3 290.411 1.107 20 30 CDEDHO COC1CC[NH+](C2(CNC(=O)C(C)C#N)CCCC2)CC1 ZINC000347105595 226051394 /nfs/dbraw/zinc/05/13/94/226051394.db2.gz KYZAXAWSDLUNBU-CYBMUJFWSA-N 1 3 293.411 1.686 20 30 CDEDHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(C)C#N ZINC000340550397 263196770 /nfs/dbraw/zinc/19/67/70/263196770.db2.gz JWYXGIIKIKVELI-ZDUSSCGKSA-N 1 3 253.390 1.972 20 30 CDEDHO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001669909783 1173629982 /nfs/dbraw/zinc/62/99/82/1173629982.db2.gz JHHMYDWHPFKUIK-UONOGXRCSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001669909783 1173629986 /nfs/dbraw/zinc/62/99/86/1173629986.db2.gz JHHMYDWHPFKUIK-UONOGXRCSA-N 1 3 269.433 1.729 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@]1(C)C(C)C ZINC000263072302 330042211 /nfs/dbraw/zinc/04/22/11/330042211.db2.gz GWFZXJUUICTGOW-UMVBOHGHSA-N 1 3 266.433 1.810 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)C[NH+]1CCCCC1 ZINC000424126448 330259053 /nfs/dbraw/zinc/25/90/53/330259053.db2.gz BTFRJHWZROWLET-KBPBESRZSA-N 1 3 280.416 1.246 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000328127066 330322544 /nfs/dbraw/zinc/32/25/44/330322544.db2.gz UROSGSGKOUYDKR-RRFJBIMHSA-N 1 3 251.418 1.260 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000490781172 332115525 /nfs/dbraw/zinc/11/55/25/332115525.db2.gz XWKSEONQBMZLPO-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000491306318 332186413 /nfs/dbraw/zinc/18/64/13/332186413.db2.gz MKUJASIYYVMWKZ-ZDUSSCGKSA-N 1 3 267.417 1.224 20 30 CDEDHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518587 1159818290 /nfs/dbraw/zinc/81/82/90/1159818290.db2.gz VYNWWBKEZQNAAS-AWEZNQCLSA-N 1 3 288.395 1.146 20 30 CDEDHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518587 1159818298 /nfs/dbraw/zinc/81/82/98/1159818298.db2.gz VYNWWBKEZQNAAS-AWEZNQCLSA-N 1 3 288.395 1.146 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC)C2)CC1 ZINC000981539871 613131016 /nfs/dbraw/zinc/13/10/16/613131016.db2.gz ACRKBHYMLDNTMV-HZPDHXFCSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000961775411 613279740 /nfs/dbraw/zinc/27/97/40/613279740.db2.gz VATMYUKDVIHFHR-LJIGWXMPSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000961775411 613279741 /nfs/dbraw/zinc/27/97/41/613279741.db2.gz VATMYUKDVIHFHR-LJIGWXMPSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971688515 613283585 /nfs/dbraw/zinc/28/35/85/613283585.db2.gz WKKYDENUZHLPQY-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971688515 613283586 /nfs/dbraw/zinc/28/35/86/613283586.db2.gz WKKYDENUZHLPQY-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086311 613308626 /nfs/dbraw/zinc/30/86/26/613308626.db2.gz HMOZKDTYFQPKIA-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000969074576 613348571 /nfs/dbraw/zinc/34/85/71/613348571.db2.gz JODPGZBIRNOZAJ-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971737473 613616432 /nfs/dbraw/zinc/61/64/32/613616432.db2.gz WYQHMPKKNJRCPY-KGLIPLIRSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971737473 613616434 /nfs/dbraw/zinc/61/64/34/613616434.db2.gz WYQHMPKKNJRCPY-KGLIPLIRSA-N 1 3 267.417 1.291 20 30 CDEDHO C[C@H](C#N)OCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852105250 617862106 /nfs/dbraw/zinc/86/21/06/617862106.db2.gz JHNXQOQVDJGWRC-KGLIPLIRSA-N 1 3 251.374 1.333 20 30 CDEDHO C[C@H](C#N)OCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852105250 617862111 /nfs/dbraw/zinc/86/21/11/617862111.db2.gz JHNXQOQVDJGWRC-KGLIPLIRSA-N 1 3 251.374 1.333 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000908436177 628198484 /nfs/dbraw/zinc/19/84/84/628198484.db2.gz CNKMFIGMNXVNJG-OAHLLOKOSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000908436177 628198487 /nfs/dbraw/zinc/19/84/87/628198487.db2.gz CNKMFIGMNXVNJG-OAHLLOKOSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022714607 678896006 /nfs/dbraw/zinc/89/60/06/678896006.db2.gz XFCUIVRNUJQSFF-MCIONIFRSA-N 1 3 265.401 1.141 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130660776 679171623 /nfs/dbraw/zinc/17/16/23/679171623.db2.gz LAQZUCAIPHEGIU-AWEZNQCLSA-N 1 3 278.444 1.955 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000996996327 679380413 /nfs/dbraw/zinc/38/04/13/679380413.db2.gz XZPRQHBDJIRLRC-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759110 677732179 /nfs/dbraw/zinc/73/21/79/677732179.db2.gz CUBMKUKWRRWZJG-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033127554 677864682 /nfs/dbraw/zinc/86/46/82/677864682.db2.gz VUMKJSYITYLGHV-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001033127554 677864685 /nfs/dbraw/zinc/86/46/85/677864685.db2.gz VUMKJSYITYLGHV-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034735422 677897443 /nfs/dbraw/zinc/89/74/43/677897443.db2.gz GXCCUPNKOQLULU-RBSFLKMASA-N 1 3 277.412 1.121 20 30 CDEDHO C#CCCN1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992997 678019850 /nfs/dbraw/zinc/01/98/50/678019850.db2.gz JFHUMAVXCVKKTB-OAHLLOKOSA-N 1 3 289.423 1.219 20 30 CDEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC000992837212 678103159 /nfs/dbraw/zinc/10/31/59/678103159.db2.gz PJZBQSXBKWJIII-VHDGCEQUSA-N 1 3 288.395 1.355 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994255182 678109098 /nfs/dbraw/zinc/10/90/98/678109098.db2.gz PSLPBSQJQFYGCW-GJZGRUSLSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000262021283 678124678 /nfs/dbraw/zinc/12/46/78/678124678.db2.gz XYJSODOXIXDSLE-STQMWFEESA-N 1 3 252.406 1.730 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034735860 677753477 /nfs/dbraw/zinc/75/34/77/677753477.db2.gz OCGHVPHGOWNMOU-RBSFLKMASA-N 1 3 279.428 1.674 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](C(C)C)C2)CC1 ZINC001046850516 678049150 /nfs/dbraw/zinc/04/91/50/678049150.db2.gz VKXRKFYBEJARII-QGZVFWFLSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](C(C)C)C2)CC1 ZINC001046850516 678049152 /nfs/dbraw/zinc/04/91/52/678049152.db2.gz VKXRKFYBEJARII-QGZVFWFLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028117253 678276502 /nfs/dbraw/zinc/27/65/02/678276502.db2.gz OLOMBHVTHLYPSY-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOC(F)F ZINC000193284020 678336572 /nfs/dbraw/zinc/33/65/72/678336572.db2.gz ROCFOCVGEPLASI-SNVBAGLBSA-N 1 3 278.347 1.004 20 30 CDEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525589 678673496 /nfs/dbraw/zinc/67/34/96/678673496.db2.gz QBWFNHQMGSFPNY-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487604 678704677 /nfs/dbraw/zinc/70/46/77/678704677.db2.gz PGNFKXMZCCZYPG-HNNXBMFYSA-N 1 3 291.439 1.629 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000305040265 678756358 /nfs/dbraw/zinc/75/63/58/678756358.db2.gz COGVSZIYOQWJNU-UHFFFAOYSA-N 1 3 270.421 1.145 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597137 678939779 /nfs/dbraw/zinc/93/97/79/678939779.db2.gz NGFQLJJKCIJVHY-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597137 678939780 /nfs/dbraw/zinc/93/97/80/678939780.db2.gz NGFQLJJKCIJVHY-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034492352 678983657 /nfs/dbraw/zinc/98/36/57/678983657.db2.gz NETYMHJXEXMTJC-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034492352 678983658 /nfs/dbraw/zinc/98/36/58/678983658.db2.gz NETYMHJXEXMTJC-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232715 1158545919 /nfs/dbraw/zinc/54/59/19/1158545919.db2.gz NOGBDKHRFBWOGY-HNNXBMFYSA-N 1 3 293.455 1.780 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996299941 679120436 /nfs/dbraw/zinc/12/04/36/679120436.db2.gz HDCKINABNVCWGE-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080569 679142627 /nfs/dbraw/zinc/14/26/27/679142627.db2.gz FSCHYQPJKWBMDQ-HZPDHXFCSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033080569 679142629 /nfs/dbraw/zinc/14/26/29/679142629.db2.gz FSCHYQPJKWBMDQ-HZPDHXFCSA-N 1 3 291.439 1.415 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033472074 679466059 /nfs/dbraw/zinc/46/60/59/679466059.db2.gz RLSBTMBRGXUPQC-OAHLLOKOSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181874 1163597647 /nfs/dbraw/zinc/59/76/47/1163597647.db2.gz KEXKYOXAUIAEGK-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001700754321 1177115200 /nfs/dbraw/zinc/11/52/00/1177115200.db2.gz QEHXCPWPSFMJBL-STQMWFEESA-N 1 3 255.406 1.195 20 30 CDEDHO C=CC[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001715101347 1179551050 /nfs/dbraw/zinc/55/10/50/1179551050.db2.gz GPNRDESYFLYTJL-ZDUSSCGKSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC=C)CC1 ZINC001753020429 1184998673 /nfs/dbraw/zinc/99/86/73/1184998673.db2.gz NRAYOVHQKYZKNF-CQSZACIVSA-N 1 3 277.412 1.002 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001755388927 1185938434 /nfs/dbraw/zinc/93/84/34/1185938434.db2.gz MAVPUDRLEXAWSN-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001755388927 1185938436 /nfs/dbraw/zinc/93/84/36/1185938436.db2.gz MAVPUDRLEXAWSN-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463854 1165192889 /nfs/dbraw/zinc/19/28/89/1165192889.db2.gz MMVUDUZLUZCKAX-BARDWOONSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463854 1165192892 /nfs/dbraw/zinc/19/28/92/1165192892.db2.gz MMVUDUZLUZCKAX-BARDWOONSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001574902539 1167642734 /nfs/dbraw/zinc/64/27/34/1167642734.db2.gz CBQJKROCPMIZAT-UKRRQHHQSA-N 1 3 265.401 1.271 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175302474 913528837 /nfs/dbraw/zinc/52/88/37/913528837.db2.gz BRNOBIVWJDVWQS-GJZGRUSLSA-N 1 3 281.444 1.615 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225419 894908764 /nfs/dbraw/zinc/90/87/64/894908764.db2.gz UUAXLXYOJYSCBF-OAHLLOKOSA-N 1 3 293.455 1.923 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267068492 896681186 /nfs/dbraw/zinc/68/11/86/896681186.db2.gz YAWVHNBHAJGEFN-KGLIPLIRSA-N 1 3 267.417 1.197 20 30 CDEDHO CC#CCN1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225245999 902515712 /nfs/dbraw/zinc/51/57/12/902515712.db2.gz ZDXKOZGHWMUTLA-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO CC#CCN1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225245999 902515722 /nfs/dbraw/zinc/51/57/22/902515722.db2.gz ZDXKOZGHWMUTLA-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811168 909517525 /nfs/dbraw/zinc/51/75/25/909517525.db2.gz OQTRBRSUQHQBPB-PMPSAXMXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088811168 909517539 /nfs/dbraw/zinc/51/75/39/909517539.db2.gz OQTRBRSUQHQBPB-PMPSAXMXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817008 909613133 /nfs/dbraw/zinc/61/31/33/909613133.db2.gz XYRYXUYFZNUTTJ-FZKCQIBNSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817008 909613138 /nfs/dbraw/zinc/61/31/38/909613138.db2.gz XYRYXUYFZNUTTJ-FZKCQIBNSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179983151 916104331 /nfs/dbraw/zinc/10/43/31/916104331.db2.gz MSXWWMFVZQIABC-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180154725 916188027 /nfs/dbraw/zinc/18/80/27/916188027.db2.gz CWDXUMLAYRICKM-UHFFFAOYSA-N 1 3 278.400 1.713 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628802 919219896 /nfs/dbraw/zinc/21/98/96/919219896.db2.gz QSPZREVLFUPDDL-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185218274 919482423 /nfs/dbraw/zinc/48/24/23/919482423.db2.gz ZSICFQBEIZIRLO-KBPBESRZSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185357703 919543430 /nfs/dbraw/zinc/54/34/30/919543430.db2.gz DSOZMXFVTNMPMR-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185536738 919665695 /nfs/dbraw/zinc/66/56/95/919665695.db2.gz OXWJNBWNZAYENJ-GJZGRUSLSA-N 1 3 281.444 1.588 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188083572 920822022 /nfs/dbraw/zinc/82/20/22/920822022.db2.gz BTHSFRAOVSEQIQ-QGZVFWFLSA-N 1 3 299.418 1.576 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192386528 923049485 /nfs/dbraw/zinc/04/94/85/923049485.db2.gz QDSQALDPZWRYCL-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192386528 923049497 /nfs/dbraw/zinc/04/94/97/923049497.db2.gz QDSQALDPZWRYCL-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193290641 923591740 /nfs/dbraw/zinc/59/17/40/923591740.db2.gz CPTDRQNBKQMOLM-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193290641 923591748 /nfs/dbraw/zinc/59/17/48/923591748.db2.gz CPTDRQNBKQMOLM-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079730678 924414194 /nfs/dbraw/zinc/41/41/94/924414194.db2.gz IUISIKLLIRXQLS-QKPAOTATSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079730678 924414199 /nfs/dbraw/zinc/41/41/99/924414199.db2.gz IUISIKLLIRXQLS-QKPAOTATSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001080052645 924474865 /nfs/dbraw/zinc/47/48/65/924474865.db2.gz NMHOAVNNKLZIOH-IUODEOHRSA-N 1 3 282.347 1.018 20 30 CDEDHO C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052645 924474868 /nfs/dbraw/zinc/47/48/68/924474868.db2.gz NMHOAVNNKLZIOH-IUODEOHRSA-N 1 3 282.347 1.018 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152383550 925302524 /nfs/dbraw/zinc/30/25/24/925302524.db2.gz GAXNXTWIPKLHFB-UHFFFAOYSA-N 1 3 275.396 1.644 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037113 926190936 /nfs/dbraw/zinc/19/09/36/926190936.db2.gz CYMKLCYGNKJWAZ-UHFFFAOYSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085973030 926563335 /nfs/dbraw/zinc/56/33/35/926563335.db2.gz NFQCVRWCTMXEMP-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085973030 926563340 /nfs/dbraw/zinc/56/33/40/926563340.db2.gz NFQCVRWCTMXEMP-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152459140 937364259 /nfs/dbraw/zinc/36/42/59/937364259.db2.gz ZPFDCVSZGSEUHY-CQSZACIVSA-N 1 3 267.417 1.533 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036872 930614755 /nfs/dbraw/zinc/61/47/55/930614755.db2.gz ZKEFXBUFJSSRIM-VXGBXAGGSA-N 1 3 278.400 1.710 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036878 930614984 /nfs/dbraw/zinc/61/49/84/930614984.db2.gz ZMOKDDRQNCZXKV-NWDGAFQWSA-N 1 3 276.384 1.157 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828363 937475149 /nfs/dbraw/zinc/47/51/49/937475149.db2.gz KQJOYPFFBFHVDF-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828363 937475150 /nfs/dbraw/zinc/47/51/50/937475150.db2.gz KQJOYPFFBFHVDF-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593860 932269566 /nfs/dbraw/zinc/26/95/66/932269566.db2.gz QSOKIXCZZDHLAJ-KGLIPLIRSA-N 1 3 267.417 1.223 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593001 932270652 /nfs/dbraw/zinc/27/06/52/932270652.db2.gz LRXDDKZMMOBFFR-QWHCGFSZSA-N 1 3 289.851 1.952 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900555 937686222 /nfs/dbraw/zinc/68/62/22/937686222.db2.gz YROWMBKVNXOROV-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900555 937686224 /nfs/dbraw/zinc/68/62/24/937686224.db2.gz YROWMBKVNXOROV-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120045655 937776310 /nfs/dbraw/zinc/77/63/10/937776310.db2.gz BYBGRBOQQMMMDI-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841055 935015344 /nfs/dbraw/zinc/01/53/44/935015344.db2.gz QUHDLCDWQKQRBF-NHAGDIPZSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841055 935015352 /nfs/dbraw/zinc/01/53/52/935015352.db2.gz QUHDLCDWQKQRBF-NHAGDIPZSA-N 1 3 279.428 1.197 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096538307 936149250 /nfs/dbraw/zinc/14/92/50/936149250.db2.gz FEVLCCLWTACSHV-KBXIAJHMSA-N 1 3 277.412 1.236 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096538307 936149254 /nfs/dbraw/zinc/14/92/54/936149254.db2.gz FEVLCCLWTACSHV-KBXIAJHMSA-N 1 3 277.412 1.236 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001121995429 937897621 /nfs/dbraw/zinc/89/76/21/937897621.db2.gz UMGGQKFLPMABGE-CRWXNKLISA-N 1 3 267.417 1.502 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161240314 938882283 /nfs/dbraw/zinc/88/22/83/938882283.db2.gz SEZBSAPCBYQCNF-INIZCTEOSA-N 1 3 291.439 1.488 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001161240314 938882284 /nfs/dbraw/zinc/88/22/84/938882284.db2.gz SEZBSAPCBYQCNF-INIZCTEOSA-N 1 3 291.439 1.488 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165718293 939575608 /nfs/dbraw/zinc/57/56/08/939575608.db2.gz HWSOIJJFDKUEQC-CQSZACIVSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677843 939625786 /nfs/dbraw/zinc/62/57/86/939625786.db2.gz OGGOYERNJGLMMD-AWEZNQCLSA-N 1 3 267.417 1.390 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523293 939690790 /nfs/dbraw/zinc/69/07/90/939690790.db2.gz QEEYNJZLHZIFDU-LSDHHAIUSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204797991 939792059 /nfs/dbraw/zinc/79/20/59/939792059.db2.gz CUOBVLZCWPOUTB-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206302339 940013287 /nfs/dbraw/zinc/01/32/87/940013287.db2.gz WPSVHPDICRRGNJ-HNNXBMFYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206402940 940033140 /nfs/dbraw/zinc/03/31/40/940033140.db2.gz OUVXOYXRVAFTJD-UHFFFAOYSA-N 1 3 276.384 1.357 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209691780 940626689 /nfs/dbraw/zinc/62/66/89/940626689.db2.gz YHYOOTORNWCGJR-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223465453 941679204 /nfs/dbraw/zinc/67/92/04/941679204.db2.gz HQQDFFAZNHMLCT-HNNXBMFYSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226801475 942074059 /nfs/dbraw/zinc/07/40/59/942074059.db2.gz YIKQGTSNHXBSKY-OAGGEKHMSA-N 1 3 293.455 1.920 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001227620106 942198279 /nfs/dbraw/zinc/19/82/79/942198279.db2.gz ZITPKMZPCHKQLH-OAHLLOKOSA-N 1 3 297.418 1.270 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCCC#N)C2 ZINC001277945075 944154616 /nfs/dbraw/zinc/15/46/16/944154616.db2.gz LJSSFDJBSFYYSB-INIZCTEOSA-N 1 3 278.444 1.640 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(CCCC#N)C2 ZINC001277945075 944154618 /nfs/dbraw/zinc/15/46/18/944154618.db2.gz LJSSFDJBSFYYSB-INIZCTEOSA-N 1 3 278.444 1.640 20 30 CDEDHO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533912 947512420 /nfs/dbraw/zinc/51/24/20/947512420.db2.gz RHCOEDQQSUBALJ-GJZGRUSLSA-N 1 3 295.427 1.847 20 30 CDEDHO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533912 947512425 /nfs/dbraw/zinc/51/24/25/947512425.db2.gz RHCOEDQQSUBALJ-GJZGRUSLSA-N 1 3 295.427 1.847 20 30 CDEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCCN(C)CC1 ZINC001246309706 948096972 /nfs/dbraw/zinc/09/69/72/948096972.db2.gz WLCJMVYLEPKKRB-GJZGRUSLSA-N 1 3 297.443 1.287 20 30 CDEDHO C=C[C@@](C)(O)CN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001252561342 951458030 /nfs/dbraw/zinc/45/80/30/951458030.db2.gz ZQCOUZQMIWNFHB-QGZVFWFLSA-N 1 3 297.487 1.663 20 30 CDEDHO C=C[C@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001253600577 951987711 /nfs/dbraw/zinc/98/77/11/951987711.db2.gz DCWFPXWQVNYGOW-KRWDZBQOSA-N 1 3 289.423 1.071 20 30 CDEDHO C#CCN(C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039097 952174588 /nfs/dbraw/zinc/17/45/88/952174588.db2.gz ZBUCPZKNQJOXNP-UHFFFAOYSA-N 1 3 272.392 1.579 20 30 CDEDHO C#CC[N@@H+](C)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039097 952174589 /nfs/dbraw/zinc/17/45/89/952174589.db2.gz ZBUCPZKNQJOXNP-UHFFFAOYSA-N 1 3 272.392 1.579 20 30 CDEDHO C#CC[N@H+](C)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039097 952174591 /nfs/dbraw/zinc/17/45/91/952174591.db2.gz ZBUCPZKNQJOXNP-UHFFFAOYSA-N 1 3 272.392 1.579 20 30 CDEDHO CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CNCCO1 ZINC001341942779 963585285 /nfs/dbraw/zinc/58/52/85/963585285.db2.gz IRYDGDKRAFKFQP-ZIAGYGMSSA-N 1 3 285.432 1.169 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001342174261 963662336 /nfs/dbraw/zinc/66/23/36/963662336.db2.gz OUBDYIDVSAVUFE-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC001342631106 963780225 /nfs/dbraw/zinc/78/02/25/963780225.db2.gz NBRFYNRHUQVYDI-STQMWFEESA-N 1 3 268.405 1.244 20 30 CDEDHO C#CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCN(C)CC1 ZINC001574584257 1170994806 /nfs/dbraw/zinc/99/48/06/1170994806.db2.gz YHYWOOGCZFQEPC-DZGCQCFKSA-N 1 3 277.412 1.060 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001574851567 1171025699 /nfs/dbraw/zinc/02/56/99/1171025699.db2.gz HUFADDVWZPBHJP-GHMZBOCLSA-N 1 3 259.781 1.009 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001574851567 1171025704 /nfs/dbraw/zinc/02/57/04/1171025704.db2.gz HUFADDVWZPBHJP-GHMZBOCLSA-N 1 3 259.781 1.009 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H]3N)CC2)c1 ZINC000593323591 342788347 /nfs/dbraw/zinc/78/83/47/342788347.db2.gz QPNQBXVGCQVXFT-ROUUACIJSA-N 1 3 298.434 1.992 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000593323591 342788348 /nfs/dbraw/zinc/78/83/48/342788348.db2.gz QPNQBXVGCQVXFT-ROUUACIJSA-N 1 3 298.434 1.992 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441773 342907741 /nfs/dbraw/zinc/90/77/41/342907741.db2.gz WRCXOSKWFAEDJC-QLFBSQMISA-N 1 3 294.443 1.777 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000594441773 342907742 /nfs/dbraw/zinc/90/77/42/342907742.db2.gz WRCXOSKWFAEDJC-QLFBSQMISA-N 1 3 294.443 1.777 20 30 CDEDHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092277906 342414127 /nfs/dbraw/zinc/41/41/27/342414127.db2.gz UMHOTEYNZYGUFO-CABCVRRESA-N 1 3 294.443 1.477 20 30 CDEDHO C[NH+](C)CC1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597706180 343604970 /nfs/dbraw/zinc/60/49/70/343604970.db2.gz QIESFZPTUXXGGX-MRXNPFEDSA-N 1 3 296.374 1.261 20 30 CDEDHO CCC[NH+]1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598704814 343877351 /nfs/dbraw/zinc/87/73/51/343877351.db2.gz ULSUJTYJNFTJGY-CQSZACIVSA-N 1 3 267.417 1.751 20 30 CDEDHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C#N)CCc3ccccc3)C[C@H]21 ZINC000599991205 344160899 /nfs/dbraw/zinc/16/08/99/344160899.db2.gz DPGRJOXQSPXVJQ-MWDXBVQZSA-N 1 3 297.402 1.777 20 30 CDEDHO N#CCN1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000611104155 346609215 /nfs/dbraw/zinc/60/92/15/346609215.db2.gz CCQBRVNEDWGGOE-HUUCEWRRSA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000611104155 346609216 /nfs/dbraw/zinc/60/92/16/346609216.db2.gz CCQBRVNEDWGGOE-HUUCEWRRSA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000611104155 346609218 /nfs/dbraw/zinc/60/92/18/346609218.db2.gz CCQBRVNEDWGGOE-HUUCEWRRSA-N 1 3 262.401 1.191 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264085467 362962895 /nfs/dbraw/zinc/96/28/95/362962895.db2.gz JGZRGBMXMXJFNO-LBPRGKRZSA-N 1 3 262.401 1.951 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738274 357222750 /nfs/dbraw/zinc/22/27/50/357222750.db2.gz UNCOUTRMKAEUDY-UHFFFAOYSA-N 1 3 287.411 1.778 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000066245520 357559823 /nfs/dbraw/zinc/55/98/23/357559823.db2.gz OTTCCVVJNQAYKE-UHFFFAOYSA-N 1 3 264.373 1.382 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[NH2+]CC1CC1)C(C)C ZINC000269239708 359370956 /nfs/dbraw/zinc/37/09/56/359370956.db2.gz QGYOPIINRQMQNL-MRXNPFEDSA-N 1 3 293.455 1.801 20 30 CDEDHO CC#CCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157922781 361050615 /nfs/dbraw/zinc/05/06/15/361050615.db2.gz BOHPFAYKXYIKCY-HUUCEWRRSA-N 1 3 264.413 1.831 20 30 CDEDHO CN1CCN(CC[NH2+]Cc2cccc(C#N)c2)CC1(C)C ZINC000282255646 375075611 /nfs/dbraw/zinc/07/56/11/375075611.db2.gz GUUVODYOBMCDSR-UHFFFAOYSA-N 1 3 286.423 1.674 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417534737 377878245 /nfs/dbraw/zinc/87/82/45/377878245.db2.gz WAPNTGBNWXMEKI-DZGCQCFKSA-N 1 3 294.443 1.548 20 30 CDEDHO CC(C)([NH3+])CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423286446 390825735 /nfs/dbraw/zinc/82/57/35/390825735.db2.gz HIUUHFLOHXKZNS-UHFFFAOYSA-N 1 3 286.423 1.850 20 30 CDEDHO CC(C)(N)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423286446 390825736 /nfs/dbraw/zinc/82/57/36/390825736.db2.gz HIUUHFLOHXKZNS-UHFFFAOYSA-N 1 3 286.423 1.850 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C)cs1 ZINC000170909489 261448880 /nfs/dbraw/zinc/44/88/80/261448880.db2.gz HZLAMOXOSLWRBK-LLVKDONJSA-N 1 3 281.429 1.340 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2CC)CC1 ZINC000353441872 263056077 /nfs/dbraw/zinc/05/60/77/263056077.db2.gz FNJAXZIOOAHPFC-UONOGXRCSA-N 1 3 265.401 1.141 20 30 CDEDHO CCc1nc(C)c(CNC(=[NH2+])NC[C@@H]2CCCN2CC)o1 ZINC000291965303 263126774 /nfs/dbraw/zinc/12/67/74/263126774.db2.gz SCNBCOKFMKHITB-LBPRGKRZSA-N 1 3 293.415 1.434 20 30 CDEDHO CN1CC=C(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000263160492 330046554 /nfs/dbraw/zinc/04/65/54/330046554.db2.gz OMWQWSHLOOFQRK-UHFFFAOYSA-N 1 3 250.390 1.439 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263290168 330051858 /nfs/dbraw/zinc/05/18/58/330051858.db2.gz VOPSKJYHESLRAZ-ZBFHGGJFSA-N 1 3 279.428 1.661 20 30 CDEDHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424085646 330223261 /nfs/dbraw/zinc/22/32/61/330223261.db2.gz ZIDOEYRDUJNIBU-GWCFXTLKSA-N 1 3 260.341 1.666 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000424139305 330278993 /nfs/dbraw/zinc/27/89/93/330278993.db2.gz ADLXGOGTNNLASA-ZIAGYGMSSA-N 1 3 278.400 1.094 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669465261 483173071 /nfs/dbraw/zinc/17/30/71/483173071.db2.gz MYVXLFOFJSYGQU-AWEZNQCLSA-N 1 3 280.416 1.078 20 30 CDEDHO CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754808078 1185736014 /nfs/dbraw/zinc/73/60/14/1185736014.db2.gz XKMCPWMEPVEREC-CABCVRRESA-N 1 3 279.428 1.177 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)C#N)[C@@H](C)C1 ZINC000347080122 528666060 /nfs/dbraw/zinc/66/60/60/528666060.db2.gz IJBNGROZZJKJSH-RDBSUJKOSA-N 1 3 281.400 1.399 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)C#N)[C@@H](C)C1 ZINC000347080122 528666065 /nfs/dbraw/zinc/66/60/65/528666065.db2.gz IJBNGROZZJKJSH-RDBSUJKOSA-N 1 3 281.400 1.399 20 30 CDEDHO C=C(CN(C)C)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000764400455 575904512 /nfs/dbraw/zinc/90/45/12/575904512.db2.gz ZRESIRZBDUFFJM-UHFFFAOYSA-N 1 3 283.460 1.931 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764437297 575907093 /nfs/dbraw/zinc/90/70/93/575907093.db2.gz KKCZIJGFKCBRPJ-VNHYZAJKSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000764437297 575907095 /nfs/dbraw/zinc/90/70/95/575907095.db2.gz KKCZIJGFKCBRPJ-VNHYZAJKSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC000959848744 613565072 /nfs/dbraw/zinc/56/50/72/613565072.db2.gz KXGWHHGNIZXTOY-QXSJWSMHSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC000959848744 613565075 /nfs/dbraw/zinc/56/50/75/613565075.db2.gz KXGWHHGNIZXTOY-QXSJWSMHSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981992016 613679204 /nfs/dbraw/zinc/67/92/04/613679204.db2.gz PVCCTQIYPBYOOH-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946643001 613832820 /nfs/dbraw/zinc/83/28/20/613832820.db2.gz YWGFIICGLCHPKT-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946643001 613832821 /nfs/dbraw/zinc/83/28/21/613832821.db2.gz YWGFIICGLCHPKT-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN1CCC(NC(=O)N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000891521179 617459990 /nfs/dbraw/zinc/45/99/90/617459990.db2.gz DBRLLVMLPLKAKH-AWEZNQCLSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)COC ZINC000903766890 626084856 /nfs/dbraw/zinc/08/48/56/626084856.db2.gz CMTDRLDASDDDKC-LSDHHAIUSA-N 1 3 282.428 1.668 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911634387 629378420 /nfs/dbraw/zinc/37/84/20/629378420.db2.gz NJKQBUQPMMGRPD-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911824374 629552570 /nfs/dbraw/zinc/55/25/70/629552570.db2.gz NNSJEGWFDHQFDA-AVGNSLFASA-N 1 3 253.390 1.256 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001023123011 679799079 /nfs/dbraw/zinc/79/90/79/679799079.db2.gz NAHVPBJNQXNBQE-XDQVBPFNSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712498 679841508 /nfs/dbraw/zinc/84/15/08/679841508.db2.gz JMZSMPKTRKTXAD-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712498 679841509 /nfs/dbraw/zinc/84/15/09/679841509.db2.gz JMZSMPKTRKTXAD-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042870 681925359 /nfs/dbraw/zinc/92/53/59/681925359.db2.gz MTZRIGCKRZPVBH-CVEARBPZSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042870 681925363 /nfs/dbraw/zinc/92/53/63/681925363.db2.gz MTZRIGCKRZPVBH-CVEARBPZSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713260 682132547 /nfs/dbraw/zinc/13/25/47/682132547.db2.gz UMDOLSYDPCFXDW-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713260 682132553 /nfs/dbraw/zinc/13/25/53/682132553.db2.gz UMDOLSYDPCFXDW-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006001355 682535393 /nfs/dbraw/zinc/53/53/93/682535393.db2.gz MPVPCJOYSQGEPL-ZFWWWQNUSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001006001355 682535401 /nfs/dbraw/zinc/53/54/01/682535401.db2.gz MPVPCJOYSQGEPL-ZFWWWQNUSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[NH+]1CC(CNC(=O)c2occc2CN(C)C)C1 ZINC001031930887 682673405 /nfs/dbraw/zinc/67/34/05/682673405.db2.gz CPJTYWQHFFIVBN-UHFFFAOYSA-N 1 3 277.368 1.189 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCOC(C)C ZINC000305807845 682718387 /nfs/dbraw/zinc/71/83/87/682718387.db2.gz HHIWABGCVVWZPY-AWEZNQCLSA-N 1 3 284.448 1.580 20 30 CDEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001074877996 682737254 /nfs/dbraw/zinc/73/72/54/682737254.db2.gz VRHAUYGVUHEUSZ-RDBSUJKOSA-N 1 3 299.846 1.802 20 30 CDEDHO C=C(Cl)CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001074877996 682737256 /nfs/dbraw/zinc/73/72/56/682737256.db2.gz VRHAUYGVUHEUSZ-RDBSUJKOSA-N 1 3 299.846 1.802 20 30 CDEDHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000226877019 682778270 /nfs/dbraw/zinc/77/82/70/682778270.db2.gz UEHBFZBHJGAOBI-UHOFOFEASA-N 1 3 273.380 1.664 20 30 CDEDHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000226877019 682778284 /nfs/dbraw/zinc/77/82/84/682778284.db2.gz UEHBFZBHJGAOBI-UHOFOFEASA-N 1 3 273.380 1.664 20 30 CDEDHO Cc1cc(C#N)ccc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481092 682816001 /nfs/dbraw/zinc/81/60/01/682816001.db2.gz DGFADJYHYCPFDX-UHFFFAOYSA-N 1 3 287.407 1.755 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001021093476 683087891 /nfs/dbraw/zinc/08/78/91/683087891.db2.gz CVVWPPBWERSWRV-SHTZXODSSA-N 1 3 287.407 1.785 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034492355 683325690 /nfs/dbraw/zinc/32/56/90/683325690.db2.gz NETYMHJXEXMTJC-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034492355 683325679 /nfs/dbraw/zinc/32/56/79/683325679.db2.gz NETYMHJXEXMTJC-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919128 683334613 /nfs/dbraw/zinc/33/46/13/683334613.db2.gz STKZFSFJKMOQON-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027919128 683334620 /nfs/dbraw/zinc/33/46/20/683334620.db2.gz STKZFSFJKMOQON-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022069598 683358038 /nfs/dbraw/zinc/35/80/38/683358038.db2.gz LSYJYXMAHWOSHI-HZSPNIEDSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022069598 683358048 /nfs/dbraw/zinc/35/80/48/683358048.db2.gz LSYJYXMAHWOSHI-HZSPNIEDSA-N 1 3 299.846 1.849 20 30 CDEDHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N2CCOCC2)(N(C)C)C1 ZINC000303893097 683390057 /nfs/dbraw/zinc/39/00/57/683390057.db2.gz RQPJTLQBEPGFJF-UKRRQHHQSA-N 1 3 282.432 1.144 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800408 683484456 /nfs/dbraw/zinc/48/44/56/683484456.db2.gz XBXVXNJHQUWWOT-HRCADAONSA-N 1 3 289.423 1.047 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995899050 683621992 /nfs/dbraw/zinc/62/19/92/683621992.db2.gz VFMXLDNINYQXAV-HUUCEWRRSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036225473 683872566 /nfs/dbraw/zinc/87/25/66/683872566.db2.gz OTXMFPDKEHCRLF-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000303896212 683890481 /nfs/dbraw/zinc/89/04/81/683890481.db2.gz PVEQIJYYJYEUCZ-XQQFMLRXSA-N 1 3 270.421 1.189 20 30 CDEDHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001133982812 1163996468 /nfs/dbraw/zinc/99/64/68/1163996468.db2.gz OARHRWXAAYLFSU-HNNXBMFYSA-N 1 3 288.395 1.104 20 30 CDEDHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217572558 1177638997 /nfs/dbraw/zinc/63/89/97/1177638997.db2.gz SDYGEGSCDUCJLN-GOEBONIOSA-N 1 3 273.380 1.523 20 30 CDEDHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217572558 1177639003 /nfs/dbraw/zinc/63/90/03/1177639003.db2.gz SDYGEGSCDUCJLN-GOEBONIOSA-N 1 3 273.380 1.523 20 30 CDEDHO C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001714276888 1179060976 /nfs/dbraw/zinc/06/09/76/1179060976.db2.gz YCYGSARLSXICCO-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001752882667 1184949375 /nfs/dbraw/zinc/94/93/75/1184949375.db2.gz AIEDESKJFALBMK-QWHCGFSZSA-N 1 3 255.406 1.387 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001753066809 1185034209 /nfs/dbraw/zinc/03/42/09/1185034209.db2.gz BPKHQUMCPHPCDH-UHFFFAOYSA-N 1 3 289.423 1.986 20 30 CDEDHO C=CC[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001754656082 1185693676 /nfs/dbraw/zinc/69/36/76/1185693676.db2.gz KRZHWAKEGLXOCE-HNNXBMFYSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001755618919 1186013652 /nfs/dbraw/zinc/01/36/52/1186013652.db2.gz PZYWPITVGJECPB-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001755618918 1186013898 /nfs/dbraw/zinc/01/38/98/1186013898.db2.gz PZYWPITVGJECPB-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133851236 1163925128 /nfs/dbraw/zinc/92/51/28/1163925128.db2.gz ZQOZQWGLPBXPSA-ZDUSSCGKSA-N 1 3 253.390 1.000 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175262440 1164303953 /nfs/dbraw/zinc/30/39/53/1164303953.db2.gz GZWQHDYRNLXXBZ-LSDHHAIUSA-N 1 3 279.428 1.226 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249418 913714908 /nfs/dbraw/zinc/71/49/08/913714908.db2.gz GTDYEWQITOHWJM-YUELXQCFSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249873 913719413 /nfs/dbraw/zinc/71/94/13/913719413.db2.gz UHQUOURVEGNCMU-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312578 913850789 /nfs/dbraw/zinc/85/07/89/913850789.db2.gz JFOONWYSCSINLO-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC=C)CC1 ZINC001176925767 914359413 /nfs/dbraw/zinc/35/94/13/914359413.db2.gz ATSCOKDNLWSLSV-UHFFFAOYSA-N 1 3 277.412 1.004 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104938659 899687774 /nfs/dbraw/zinc/68/77/74/899687774.db2.gz ADJDSTYHYGPREU-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCn1cc(CN(C)CC2CC[NH+](C)CC2)cn1 ZINC001139770275 901682445 /nfs/dbraw/zinc/68/24/45/901682445.db2.gz JVYVZUDNPQDUFL-UHFFFAOYSA-N 1 3 262.401 1.843 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010729 906124061 /nfs/dbraw/zinc/12/40/61/906124061.db2.gz HHXLVBCDVTXTLZ-QLFBSQMISA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010729 906124070 /nfs/dbraw/zinc/12/40/70/906124070.db2.gz HHXLVBCDVTXTLZ-QLFBSQMISA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088011343 906124948 /nfs/dbraw/zinc/12/49/48/906124948.db2.gz JJKKHBZUOWSVMA-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088011343 906124953 /nfs/dbraw/zinc/12/49/53/906124953.db2.gz JJKKHBZUOWSVMA-OWCLPIDISA-N 1 3 293.455 1.683 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001088375569 907026993 /nfs/dbraw/zinc/02/69/93/907026993.db2.gz KUAHBOTYUGDBQT-HZPDHXFCSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184557206 919191769 /nfs/dbraw/zinc/19/17/69/919191769.db2.gz UCWAIAFUOKQRMP-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168594980 919372834 /nfs/dbraw/zinc/37/28/34/919372834.db2.gz FOQVYMPYVXLBTB-UHFFFAOYSA-N 1 3 281.444 1.618 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185356949 919543222 /nfs/dbraw/zinc/54/32/22/919543222.db2.gz BDJGQXJVIDOILA-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650900 919690572 /nfs/dbraw/zinc/69/05/72/919690572.db2.gz QGCSZMMGBCYQTO-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001186082623 919862546 /nfs/dbraw/zinc/86/25/46/919862546.db2.gz LVPRVLIJPKIUHH-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145399 920860976 /nfs/dbraw/zinc/86/09/76/920860976.db2.gz FFBOBWKISXIDEJ-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152485232 925489528 /nfs/dbraw/zinc/48/95/28/925489528.db2.gz CFWHGMBJHYKYOZ-OAHLLOKOSA-N 1 3 279.428 1.226 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787509 925859508 /nfs/dbraw/zinc/85/95/08/925859508.db2.gz AGSYBFJQSSNMDG-CQSZACIVSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088429 937041170 /nfs/dbraw/zinc/04/11/70/937041170.db2.gz VHWFKWQTXPHEGD-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088429 937041172 /nfs/dbraw/zinc/04/11/72/937041172.db2.gz VHWFKWQTXPHEGD-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102100874 937041493 /nfs/dbraw/zinc/04/14/93/937041493.db2.gz BCUNTNHIOKCOJZ-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102100874 937041496 /nfs/dbraw/zinc/04/14/96/937041496.db2.gz BCUNTNHIOKCOJZ-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102382089 937056146 /nfs/dbraw/zinc/05/61/46/937056146.db2.gz PLSCRLFIAQKYKT-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102382089 937056148 /nfs/dbraw/zinc/05/61/48/937056148.db2.gz PLSCRLFIAQKYKT-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201240594 926226908 /nfs/dbraw/zinc/22/69/08/926226908.db2.gz XEOJRCGYVDKNAF-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090608 926692275 /nfs/dbraw/zinc/69/22/75/926692275.db2.gz IRKHEBAACGBRQK-YIYPIFLZSA-N 1 3 299.846 1.564 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090608 926692283 /nfs/dbraw/zinc/69/22/83/926692283.db2.gz IRKHEBAACGBRQK-YIYPIFLZSA-N 1 3 299.846 1.564 20 30 CDEDHO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135746074 930393768 /nfs/dbraw/zinc/39/37/68/930393768.db2.gz CVAGPAHKHJNPNZ-HUUCEWRRSA-N 1 3 299.459 1.404 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001153998086 937490141 /nfs/dbraw/zinc/49/01/41/937490141.db2.gz HQQBKWPAPPQGQY-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001153998086 937490142 /nfs/dbraw/zinc/49/01/42/937490142.db2.gz HQQBKWPAPPQGQY-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455117 937546475 /nfs/dbraw/zinc/54/64/75/937546475.db2.gz GFUDPBUPVIRTDG-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206653420 937643723 /nfs/dbraw/zinc/64/37/23/937643723.db2.gz CEGVVZXVLIJWJX-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835500 935007273 /nfs/dbraw/zinc/00/72/73/935007273.db2.gz LIKHWYLZALRCSW-LJIGWXMPSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835500 935007277 /nfs/dbraw/zinc/00/72/77/935007277.db2.gz LIKHWYLZALRCSW-LJIGWXMPSA-N 1 3 291.439 1.341 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC)CC1 ZINC001157092076 938453101 /nfs/dbraw/zinc/45/31/01/938453101.db2.gz JCOFWLNERJUFKW-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCC)CC1 ZINC001157092076 938453103 /nfs/dbraw/zinc/45/31/03/938453103.db2.gz JCOFWLNERJUFKW-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029150 938576154 /nfs/dbraw/zinc/57/61/54/938576154.db2.gz DASFZNYATUWKSF-UONOGXRCSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029150 938576155 /nfs/dbraw/zinc/57/61/55/938576155.db2.gz DASFZNYATUWKSF-UONOGXRCSA-N 1 3 299.846 1.709 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426482 938786270 /nfs/dbraw/zinc/78/62/70/938786270.db2.gz GIAZYVTZIWNKSZ-ZDUSSCGKSA-N 1 3 255.406 1.245 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521342 939690633 /nfs/dbraw/zinc/69/06/33/939690633.db2.gz ITYBPIVLHIFUML-HUUCEWRRSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204798809 939791617 /nfs/dbraw/zinc/79/16/17/939791617.db2.gz ONASTZPAVCKQQF-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001208013675 940278273 /nfs/dbraw/zinc/27/82/73/940278273.db2.gz JAZIVAVBKKXGQV-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855880 940841649 /nfs/dbraw/zinc/84/16/49/940841649.db2.gz QGDRLFHAFRGOHI-BPLDGKMQSA-N 1 3 279.428 1.339 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225238166 941831966 /nfs/dbraw/zinc/83/19/66/941831966.db2.gz UTBZDBMODQQROX-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225238166 941831971 /nfs/dbraw/zinc/83/19/71/941831971.db2.gz UTBZDBMODQQROX-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229201473 942431713 /nfs/dbraw/zinc/43/17/13/942431713.db2.gz FMHKKISJHKMBIL-ZIAGYGMSSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CCCCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361472 945430397 /nfs/dbraw/zinc/43/03/97/945430397.db2.gz FVDNULLSNJOMTR-ZDUSSCGKSA-N 1 3 296.484 1.291 20 30 CDEDHO CCCCCCCC[C@H](O)CN1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246036910 947912493 /nfs/dbraw/zinc/91/24/93/947912493.db2.gz ZTDXLYZJYFZTBL-XQLPTFJDSA-N 1 3 254.418 1.987 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CCC)CC1 ZINC001353446960 967984901 /nfs/dbraw/zinc/98/49/01/967984901.db2.gz AVRYTBUYXLDTDD-AWEZNQCLSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001353726303 968189055 /nfs/dbraw/zinc/18/90/55/968189055.db2.gz AFNZBRGRRGBILE-MELADBBJSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001353726303 968189056 /nfs/dbraw/zinc/18/90/56/968189056.db2.gz AFNZBRGRRGBILE-MELADBBJSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407878 968264805 /nfs/dbraw/zinc/26/48/05/968264805.db2.gz NAJZKINJMOTMNM-AVVWSFFYSA-N 1 3 293.455 1.777 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001100730981 969031912 /nfs/dbraw/zinc/03/19/12/969031912.db2.gz WRHXDCYTKBTFDB-FHERZECASA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC=C)CC1 ZINC001503645767 974826438 /nfs/dbraw/zinc/82/64/38/974826438.db2.gz NRAYOVHQKYZKNF-AWEZNQCLSA-N 1 3 277.412 1.002 20 30 CDEDHO CC(C)[NH+]1CCC(N(C)CCC(=O)N(C)CCC#N)CC1 ZINC000092795588 342419086 /nfs/dbraw/zinc/41/90/86/342419086.db2.gz WCQSSBLEHYIJOP-UHFFFAOYSA-N 1 3 294.443 1.553 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001054735754 684725451 /nfs/dbraw/zinc/72/54/51/684725451.db2.gz KEAYGOZRPLUFJP-STQMWFEESA-N 1 3 265.401 1.093 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264076311 362959218 /nfs/dbraw/zinc/95/92/18/362959218.db2.gz FSTZDMBEEXFHJB-UHFFFAOYSA-N 1 3 292.427 1.998 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H](C[NH3+])OC)C(C)C ZINC000278336769 359580135 /nfs/dbraw/zinc/58/01/35/359580135.db2.gz XAUYXPVYNBAMRQ-LSDHHAIUSA-N 1 3 297.443 1.165 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448451523 360727990 /nfs/dbraw/zinc/72/79/90/360727990.db2.gz YTUXTVJQHDCVCV-YRGRVCCFSA-N 1 3 261.369 1.621 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448451523 360727991 /nfs/dbraw/zinc/72/79/91/360727991.db2.gz YTUXTVJQHDCVCV-YRGRVCCFSA-N 1 3 261.369 1.621 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000248199467 361299386 /nfs/dbraw/zinc/29/93/86/361299386.db2.gz YEFCDBLZKVVCDS-HOCLYGCPSA-N 1 3 265.445 1.957 20 30 CDEDHO COc1ccc(CNC(=[NH2+])NCCCN(C)C)cc1OC ZINC000104152827 390484690 /nfs/dbraw/zinc/48/46/90/390484690.db2.gz OLARUGADYLBWKJ-UHFFFAOYSA-N 1 3 294.399 1.060 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781106 391033622 /nfs/dbraw/zinc/03/36/22/391033622.db2.gz LYGJFRDJMHNNKG-LSDHHAIUSA-N 1 3 264.417 1.296 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000417061322 391342011 /nfs/dbraw/zinc/34/20/11/391342011.db2.gz KYXOBTVOOLRTKI-CABCVRRESA-N 1 3 294.443 1.428 20 30 CDEDHO C#CC[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000886363982 685066340 /nfs/dbraw/zinc/06/63/40/685066340.db2.gz LDYCRMZBMZULHO-KRWDZBQOSA-N 1 3 277.456 1.748 20 30 CDEDHO C#CC[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000886363982 685066348 /nfs/dbraw/zinc/06/63/48/685066348.db2.gz LDYCRMZBMZULHO-KRWDZBQOSA-N 1 3 277.456 1.748 20 30 CDEDHO C=CC[N@@H+](CCNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001663756653 1172758468 /nfs/dbraw/zinc/75/84/68/1172758468.db2.gz GJMZOSMXXYKGTN-ZDUSSCGKSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CC[N@H+](CCNC(=O)[C@H](CC)N(C)C)C1CC1 ZINC001663756653 1172758471 /nfs/dbraw/zinc/75/84/71/1172758471.db2.gz GJMZOSMXXYKGTN-ZDUSSCGKSA-N 1 3 253.390 1.093 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1occc1C ZINC000291897763 263126436 /nfs/dbraw/zinc/12/64/36/263126436.db2.gz KJKPSFPUCAUQCN-LBPRGKRZSA-N 1 3 264.373 1.477 20 30 CDEDHO CCCNC(=[NH2+])NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272898718 328201193 /nfs/dbraw/zinc/20/11/93/328201193.db2.gz JOZXXEXDMRDHGG-OAHLLOKOSA-N 1 3 290.411 1.068 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC000171714455 329078860 /nfs/dbraw/zinc/07/88/60/329078860.db2.gz ZUHJALBWONAHRY-HNNXBMFYSA-N 1 3 279.428 1.627 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC[C@@H]1C ZINC000262638568 330023973 /nfs/dbraw/zinc/02/39/73/330023973.db2.gz HGVOBWOZIBPHAA-MELADBBJSA-N 1 3 282.432 1.048 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC(C)(C)N2CCC[C@@H](C)C2)N1 ZINC000262648906 330024449 /nfs/dbraw/zinc/02/44/49/330024449.db2.gz JZMNFELCVVFBKU-VXGBXAGGSA-N 1 3 252.406 1.434 20 30 CDEDHO [NH2+]=C(NC[C@@H]1CCCN1C1CCCCC1)N1CCC1 ZINC000263061278 330041536 /nfs/dbraw/zinc/04/15/36/330041536.db2.gz FNYIABQNFQWGCY-AWEZNQCLSA-N 1 3 264.417 1.804 20 30 CDEDHO C=CCN1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422590799 330149670 /nfs/dbraw/zinc/14/96/70/330149670.db2.gz BJCAZXDTLWSZBE-UHFFFAOYSA-N 1 3 268.405 1.063 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423096584 330169892 /nfs/dbraw/zinc/16/98/92/330169892.db2.gz PMIDPIKGNVJGON-XGUBFFRZSA-N 1 3 252.402 1.945 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000424131612 330263741 /nfs/dbraw/zinc/26/37/41/330263741.db2.gz JJOVGOBDAZVRPS-HNNXBMFYSA-N 1 3 292.427 1.531 20 30 CDEDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424141679 330283804 /nfs/dbraw/zinc/28/38/04/330283804.db2.gz HLGIVOLJMJWRGE-KBPBESRZSA-N 1 3 280.416 1.388 20 30 CDEDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424141679 330283805 /nfs/dbraw/zinc/28/38/05/330283805.db2.gz HLGIVOLJMJWRGE-KBPBESRZSA-N 1 3 280.416 1.388 20 30 CDEDHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424249144 330332090 /nfs/dbraw/zinc/33/20/90/330332090.db2.gz VPHKABYCOQKACW-CYBMUJFWSA-N 1 3 260.341 1.413 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000491628268 332251395 /nfs/dbraw/zinc/25/13/95/332251395.db2.gz VFCHHCHSXNCVGV-UHFFFAOYSA-N 1 3 294.443 1.069 20 30 CDEDHO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001753712743 1159891828 /nfs/dbraw/zinc/89/18/28/1159891828.db2.gz QRNOPRYVPUNAJR-CYBMUJFWSA-N 1 3 267.417 1.034 20 30 CDEDHO CCC#C[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000678720688 483152150 /nfs/dbraw/zinc/15/21/50/483152150.db2.gz XZYGROGWKHWFPK-OAHLLOKOSA-N 1 3 265.445 1.746 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812094 613499587 /nfs/dbraw/zinc/49/95/87/613499587.db2.gz GCSMXPVJXDAEJC-OAHLLOKOSA-N 1 3 290.411 1.841 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812094 613499590 /nfs/dbraw/zinc/49/95/90/613499590.db2.gz GCSMXPVJXDAEJC-OAHLLOKOSA-N 1 3 290.411 1.841 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969145108 613683523 /nfs/dbraw/zinc/68/35/23/613683523.db2.gz YEWYKSXMXOQJDY-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969145108 613683524 /nfs/dbraw/zinc/68/35/24/613683524.db2.gz YEWYKSXMXOQJDY-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517151 613832908 /nfs/dbraw/zinc/83/29/08/613832908.db2.gz ACNIMARLJDBBLY-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517151 613832911 /nfs/dbraw/zinc/83/29/11/613832911.db2.gz ACNIMARLJDBBLY-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO OC[C@H]1CCC[N@@H+]1CCCCNCC#Cc1ccccc1 ZINC000892950959 617967631 /nfs/dbraw/zinc/96/76/31/617967631.db2.gz IYHPPCPPAPKUPI-GOSISDBHSA-N 1 3 286.419 1.865 20 30 CDEDHO OC[C@H]1CCC[N@H+]1CCCCNCC#Cc1ccccc1 ZINC000892950959 617967637 /nfs/dbraw/zinc/96/76/37/617967637.db2.gz IYHPPCPPAPKUPI-GOSISDBHSA-N 1 3 286.419 1.865 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674587 629404651 /nfs/dbraw/zinc/40/46/51/629404651.db2.gz VGAKANAQTVJYHD-KGLIPLIRSA-N 1 3 269.433 1.933 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032780749 684461236 /nfs/dbraw/zinc/46/12/36/684461236.db2.gz CJCIAUMZYBSTPL-ILXRZTDVSA-N 1 3 277.412 1.189 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032780749 684461239 /nfs/dbraw/zinc/46/12/39/684461239.db2.gz CJCIAUMZYBSTPL-ILXRZTDVSA-N 1 3 277.412 1.189 20 30 CDEDHO CCCCNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303784461 684572486 /nfs/dbraw/zinc/57/24/86/684572486.db2.gz PCHMDZKSPVKYKD-UHFFFAOYSA-N 1 3 254.422 1.955 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005993173 684822558 /nfs/dbraw/zinc/82/25/58/684822558.db2.gz ZIRVZCOTGAERFE-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999467654 684988804 /nfs/dbraw/zinc/98/88/04/684988804.db2.gz DTLAJKUVZYNFHG-UHFFFAOYSA-N 1 3 262.357 1.107 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CCC(C)CC1 ZINC000303898218 685776227 /nfs/dbraw/zinc/77/62/27/685776227.db2.gz VKLSJYIFGYKJNV-GFCCVEGCSA-N 1 3 254.422 1.810 20 30 CDEDHO C[C@H]1CCC[C@@](CNC(=[NH2+])N2CCOCC2)(N(C)C)C1 ZINC000303893092 685850637 /nfs/dbraw/zinc/85/06/37/685850637.db2.gz RQPJTLQBEPGFJF-DZGCQCFKSA-N 1 3 282.432 1.144 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052869435 685875252 /nfs/dbraw/zinc/87/52/52/685875252.db2.gz DONUAEPCMYVYFO-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052869435 685875253 /nfs/dbraw/zinc/87/52/53/685875253.db2.gz DONUAEPCMYVYFO-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537830 686046155 /nfs/dbraw/zinc/04/61/55/686046155.db2.gz SREGCENACXWICG-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537830 686046162 /nfs/dbraw/zinc/04/61/62/686046162.db2.gz SREGCENACXWICG-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1scnc1C ZINC000104193702 687017146 /nfs/dbraw/zinc/01/71/46/687017146.db2.gz CEWAWPIIZOQPBW-LLVKDONJSA-N 1 3 281.429 1.340 20 30 CDEDHO CCCCOCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303901002 687022210 /nfs/dbraw/zinc/02/22/10/687022210.db2.gz XAUOTXLBJDLFFP-ZDUSSCGKSA-N 1 3 270.421 1.192 20 30 CDEDHO CNC(NCC1CCN(Cc2ccncc2)CC1)=[NH+]C ZINC000849215142 687122832 /nfs/dbraw/zinc/12/28/32/687122832.db2.gz PWSLIHGMZNKNKR-UHFFFAOYSA-N 1 3 275.400 1.088 20 30 CDEDHO C#CCN(C(=O)CCCC[NH+](C)C)C1CCN(C)CC1 ZINC000886581342 687333943 /nfs/dbraw/zinc/33/39/43/687333943.db2.gz UINVTXQYMQCVLE-UHFFFAOYSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901488 687836181 /nfs/dbraw/zinc/83/61/81/687836181.db2.gz YCAXHDOFHOIHAQ-OAHLLOKOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014454177 687883051 /nfs/dbraw/zinc/88/30/51/687883051.db2.gz HEEPZKHMHPWPTE-CABCVRRESA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706116 1164169398 /nfs/dbraw/zinc/16/93/98/1164169398.db2.gz PBDQNGGHCSXHQR-KGLIPLIRSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155174947 1167102359 /nfs/dbraw/zinc/10/23/59/1167102359.db2.gz MOOUUORSALRHMO-HUUCEWRRSA-N 1 3 281.444 1.567 20 30 CDEDHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001713876649 1178807829 /nfs/dbraw/zinc/80/78/29/1178807829.db2.gz PBYGRLJVUDKUJQ-LSDHHAIUSA-N 1 3 279.428 1.080 20 30 CDEDHO C=CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001713923241 1178847448 /nfs/dbraw/zinc/84/74/48/1178847448.db2.gz BKOGTNSMNCQATO-CQSZACIVSA-N 1 3 267.417 1.197 20 30 CDEDHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001754734487 1185718087 /nfs/dbraw/zinc/71/80/87/1185718087.db2.gz WNPGRJOCNTTZJP-QGZVFWFLSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001754734487 1185718089 /nfs/dbraw/zinc/71/80/89/1185718089.db2.gz WNPGRJOCNTTZJP-QGZVFWFLSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001755478587 1185963701 /nfs/dbraw/zinc/96/37/01/1185963701.db2.gz INBOEJORJRJPAD-BZUAXINKSA-N 1 3 293.455 1.779 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001755676510 1186033936 /nfs/dbraw/zinc/03/39/36/1186033936.db2.gz QFNVLBAYWSCHLM-ZIAGYGMSSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCN1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755894167 1186104315 /nfs/dbraw/zinc/10/43/15/1186104315.db2.gz ODPQDLJUXGDDLI-UHFFFAOYSA-N 1 3 291.439 1.653 20 30 CDEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCC(C)CC2)[C@H]1C ZINC001088939787 912337326 /nfs/dbraw/zinc/33/73/26/912337326.db2.gz JXQXGFFONRCDFL-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCC(C)CC2)[C@H]1C ZINC001088939787 912337335 /nfs/dbraw/zinc/33/73/35/912337335.db2.gz JXQXGFFONRCDFL-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO CC[N@@H+]1CC[C@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001173356379 912472162 /nfs/dbraw/zinc/47/21/62/912472162.db2.gz AFBSZQDWFJHMSZ-NWDGAFQWSA-N 1 3 252.383 1.355 20 30 CDEDHO CC[N@H+]1CC[C@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001173356379 912472179 /nfs/dbraw/zinc/47/21/79/912472179.db2.gz AFBSZQDWFJHMSZ-NWDGAFQWSA-N 1 3 252.383 1.355 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106663004 914107179 /nfs/dbraw/zinc/10/71/79/914107179.db2.gz NDKWWPQLOJVRTF-QLFBSQMISA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400820 921474061 /nfs/dbraw/zinc/47/40/61/921474061.db2.gz OLWJLKQTVDFMTR-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400820 921474065 /nfs/dbraw/zinc/47/40/65/921474065.db2.gz OLWJLKQTVDFMTR-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183582343 918553118 /nfs/dbraw/zinc/55/31/18/918553118.db2.gz VJGKLRDVHJYEBD-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001464006 936552520 /nfs/dbraw/zinc/55/25/20/936552520.db2.gz SWQJXPZCEMETTL-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001001464006 936552521 /nfs/dbraw/zinc/55/25/21/936552521.db2.gz SWQJXPZCEMETTL-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185535216 919663987 /nfs/dbraw/zinc/66/39/87/919663987.db2.gz BXNKDDMLPVLMNN-LSDHHAIUSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203037099 936711253 /nfs/dbraw/zinc/71/12/53/936711253.db2.gz RLLAPZRIQPPFEL-LSDHHAIUSA-N 1 3 289.423 1.121 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203102672 936829258 /nfs/dbraw/zinc/82/92/58/936829258.db2.gz IWKYDIOWRPFOSR-KBPBESRZSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001273153947 923445429 /nfs/dbraw/zinc/44/54/29/923445429.db2.gz IWXDTKLGVHRZRO-ZDUSSCGKSA-N 1 3 267.417 1.531 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CCCO1 ZINC001201930528 926423627 /nfs/dbraw/zinc/42/36/27/926423627.db2.gz COLJPNYGPCWFLS-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153801854 937471584 /nfs/dbraw/zinc/47/15/84/937471584.db2.gz AGZMWQCAWXABLB-CVEARBPZSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153801854 937471585 /nfs/dbraw/zinc/47/15/85/937471585.db2.gz AGZMWQCAWXABLB-CVEARBPZSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824367 937474682 /nfs/dbraw/zinc/47/46/82/937474682.db2.gz ROWKKFWFKVVAJP-UKRRQHHQSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930093 937483655 /nfs/dbraw/zinc/48/36/55/937483655.db2.gz GTVPZLNXWBIGGG-KGLIPLIRSA-N 1 3 267.417 1.032 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001122021002 937899841 /nfs/dbraw/zinc/89/98/41/937899841.db2.gz KEMJTWAYFUIDPG-MELADBBJSA-N 1 3 287.423 1.881 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001122384010 937927211 /nfs/dbraw/zinc/92/72/11/937927211.db2.gz HMCZVWHGCCVCOO-ZDUSSCGKSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001122384010 937927213 /nfs/dbraw/zinc/92/72/13/937927213.db2.gz HMCZVWHGCCVCOO-ZDUSSCGKSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160695091 938814793 /nfs/dbraw/zinc/81/47/93/938814793.db2.gz IEDKGMMHXAZATH-CABCVRRESA-N 1 3 281.444 1.908 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645743 938917087 /nfs/dbraw/zinc/91/70/87/938917087.db2.gz QBYIGKRMUPVBHK-UHFFFAOYSA-N 1 3 277.412 1.100 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645743 938917088 /nfs/dbraw/zinc/91/70/88/938917088.db2.gz QBYIGKRMUPVBHK-UHFFFAOYSA-N 1 3 277.412 1.100 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640703 939699501 /nfs/dbraw/zinc/69/95/01/939699501.db2.gz HJIVEXONDAJDKO-ZIAGYGMSSA-N 1 3 279.428 1.531 20 30 CDEDHO C#CCOc1ccc(CN2CCC(C[NH3+])CC2)cc1OC ZINC001205033342 939817457 /nfs/dbraw/zinc/81/74/57/939817457.db2.gz BQNYIFZGQZVZMU-UHFFFAOYSA-N 1 3 288.391 1.878 20 30 CDEDHO N#Cc1cccc(CN2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205581445 939906054 /nfs/dbraw/zinc/90/60/54/939906054.db2.gz UDUHSXGQPTZQIT-CQSZACIVSA-N 1 3 262.332 1.606 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210218180 940672736 /nfs/dbraw/zinc/67/27/36/940672736.db2.gz PHYFJYMISMFGAU-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210789873 940713638 /nfs/dbraw/zinc/71/36/38/940713638.db2.gz SIHWPTJYBHUTIW-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO N#C[C@@H]1CNC[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832619 941022327 /nfs/dbraw/zinc/02/23/27/941022327.db2.gz PORBSWKTCXRWDQ-KGLIPLIRSA-N 1 3 251.374 1.284 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226774460 942066949 /nfs/dbraw/zinc/06/69/49/942066949.db2.gz MVQWRIUSSMAZAL-RBSFLKMASA-N 1 3 279.428 1.530 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284841 942602090 /nfs/dbraw/zinc/60/20/90/942602090.db2.gz WTQDSSDUIPEYMY-HUUCEWRRSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377885 942615739 /nfs/dbraw/zinc/61/57/39/942615739.db2.gz BSABSQHCRARARX-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001263109557 943750802 /nfs/dbraw/zinc/75/08/02/943750802.db2.gz AOPQFBIJQSAENX-ILXRZTDVSA-N 1 3 279.428 1.518 20 30 CDEDHO C=CCCCCCC[C@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246024542 947904245 /nfs/dbraw/zinc/90/42/45/947904245.db2.gz USCRKBYTJWOHIK-KKUMJFAQSA-N 1 3 270.417 1.125 20 30 CDEDHO C[C@@]1(CN)CCCC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)C1 ZINC001246597682 948334769 /nfs/dbraw/zinc/33/47/69/948334769.db2.gz YHXZREZEVRPNEB-MJBXVCDLSA-N 1 3 250.390 1.081 20 30 CDEDHO C[C@@]1(CN)CCCC[N@H+]([C@@H]2CCN[C@H](C#N)C2)C1 ZINC001246597682 948334772 /nfs/dbraw/zinc/33/47/72/948334772.db2.gz YHXZREZEVRPNEB-MJBXVCDLSA-N 1 3 250.390 1.081 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001317137705 957295826 /nfs/dbraw/zinc/29/58/26/957295826.db2.gz IBBWCOYQPIHHKJ-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001317137705 957295837 /nfs/dbraw/zinc/29/58/37/957295837.db2.gz IBBWCOYQPIHHKJ-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001340350576 962903053 /nfs/dbraw/zinc/90/30/53/962903053.db2.gz XYUKSGDAIYSIKR-KGLIPLIRSA-N 1 3 273.380 1.587 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719135 963089973 /nfs/dbraw/zinc/08/99/73/963089973.db2.gz KYCQQQABUFLMFN-OLZOCXBDSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001340719135 963089990 /nfs/dbraw/zinc/08/99/90/963089990.db2.gz KYCQQQABUFLMFN-OLZOCXBDSA-N 1 3 267.417 1.659 20 30 CDEDHO CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNCCO1 ZINC001341942773 963585810 /nfs/dbraw/zinc/58/58/10/963585810.db2.gz IRYDGDKRAFKFQP-KBPBESRZSA-N 1 3 285.432 1.169 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC001353967052 968380997 /nfs/dbraw/zinc/38/09/97/968380997.db2.gz OXURBQJPBZBTGB-AWEZNQCLSA-N 1 3 261.369 1.445 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC001521465150 970300508 /nfs/dbraw/zinc/30/05/08/970300508.db2.gz YFHGGHBPABYMEH-AWEZNQCLSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001502837164 974792518 /nfs/dbraw/zinc/79/25/18/974792518.db2.gz YKJOKEWKJHWYAD-KGLIPLIRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001502837164 974792524 /nfs/dbraw/zinc/79/25/24/974792524.db2.gz YKJOKEWKJHWYAD-KGLIPLIRSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCNCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790748 1163479702 /nfs/dbraw/zinc/47/97/02/1163479702.db2.gz JWMNGWHLZYXFMX-OAHLLOKOSA-N 1 3 277.412 1.123 20 30 CDEDHO C#CCNCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790748 1163479703 /nfs/dbraw/zinc/47/97/03/1163479703.db2.gz JWMNGWHLZYXFMX-OAHLLOKOSA-N 1 3 277.412 1.123 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133134374 1163579643 /nfs/dbraw/zinc/57/96/43/1163579643.db2.gz DGGWLVDAZHDTTN-ZIAGYGMSSA-N 1 3 288.395 1.050 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611584604 346826558 /nfs/dbraw/zinc/82/65/58/346826558.db2.gz BSHLOXVJSGOVNX-AGIUHOORSA-N 1 3 263.385 1.915 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584604 346826561 /nfs/dbraw/zinc/82/65/61/346826561.db2.gz BSHLOXVJSGOVNX-AGIUHOORSA-N 1 3 263.385 1.915 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H]3N)CC2)c1 ZINC000593323589 342788411 /nfs/dbraw/zinc/78/84/11/342788411.db2.gz QPNQBXVGCQVXFT-MSOLQXFVSA-N 1 3 298.434 1.992 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000593323589 342788413 /nfs/dbraw/zinc/78/84/13/342788413.db2.gz QPNQBXVGCQVXFT-MSOLQXFVSA-N 1 3 298.434 1.992 20 30 CDEDHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CCCC#N ZINC000595944674 343205276 /nfs/dbraw/zinc/20/52/76/343205276.db2.gz UVHBQCLTYODAGV-UONOGXRCSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)[N@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000609921048 346041105 /nfs/dbraw/zinc/04/11/05/346041105.db2.gz GQKSHZQNVWKWNI-GFCCVEGCSA-N 1 3 251.374 1.725 20 30 CDEDHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000609921048 346041106 /nfs/dbraw/zinc/04/11/06/346041106.db2.gz GQKSHZQNVWKWNI-GFCCVEGCSA-N 1 3 251.374 1.725 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000176967276 366421177 /nfs/dbraw/zinc/42/11/77/366421177.db2.gz BAACUQUQHOCLIO-CYBMUJFWSA-N 1 3 293.436 1.946 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000176967276 366421180 /nfs/dbraw/zinc/42/11/80/366421180.db2.gz BAACUQUQHOCLIO-CYBMUJFWSA-N 1 3 293.436 1.946 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000629958548 364265301 /nfs/dbraw/zinc/26/53/01/364265301.db2.gz NRHTYHMRGUHPEB-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])N(C)C ZINC000170911467 365161236 /nfs/dbraw/zinc/16/12/36/365161236.db2.gz SIYVNEISCJZBKP-UHFFFAOYSA-N 1 3 264.373 1.003 20 30 CDEDHO COc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800109 241393777 /nfs/dbraw/zinc/39/37/77/241393777.db2.gz KSFFKFMCQAWGJA-OCCSQVGLSA-N 1 3 259.353 1.784 20 30 CDEDHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1C#N ZINC000386726409 367029928 /nfs/dbraw/zinc/02/99/28/367029928.db2.gz TZVYHIINHMCCMH-IYBDPMFKSA-N 1 3 285.391 1.998 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000630942356 373429633 /nfs/dbraw/zinc/42/96/33/373429633.db2.gz JYSOELKCDJSXHE-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000630942356 373429638 /nfs/dbraw/zinc/42/96/38/373429638.db2.gz JYSOELKCDJSXHE-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CC2 ZINC000353406431 375476625 /nfs/dbraw/zinc/47/66/25/375476625.db2.gz WXACJTMEYSKPPL-NVXWUHKLSA-N 1 3 285.391 1.592 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417540492 377922840 /nfs/dbraw/zinc/92/28/40/377922840.db2.gz POXUYHIJNCWLIL-UHFFFAOYSA-N 1 3 268.405 1.063 20 30 CDEDHO C=CC[NH+]1CCC(NCc2cc(C#N)n(C)c2)CC1 ZINC000190977577 377950091 /nfs/dbraw/zinc/95/00/91/377950091.db2.gz VIZZVNVKSVEAJD-UHFFFAOYSA-N 1 3 258.369 1.637 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417538596 377913833 /nfs/dbraw/zinc/91/38/33/377913833.db2.gz NLLILUYRRYSXJD-HNNXBMFYSA-N 1 3 294.443 1.550 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416759 378360439 /nfs/dbraw/zinc/36/04/39/378360439.db2.gz XNQJTGVPDHUROK-GJZGRUSLSA-N 1 3 293.455 1.799 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000344146328 379215541 /nfs/dbraw/zinc/21/55/41/379215541.db2.gz YMXFTOXFKVHQEC-BNOWGMLFSA-N 1 3 279.384 1.030 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000491658973 391187997 /nfs/dbraw/zinc/18/79/97/391187997.db2.gz BYOXGDAFVZXPQB-OAHLLOKOSA-N 1 3 294.443 1.067 20 30 CDEDHO COc1ccc(NC(=[NH2+])NCC2=CCN(C)CC2)cc1 ZINC000271713499 391301920 /nfs/dbraw/zinc/30/19/20/391301920.db2.gz BQDMQONIFXTEKL-UHFFFAOYSA-N 1 3 274.368 1.684 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000345811558 391316502 /nfs/dbraw/zinc/31/65/02/391316502.db2.gz HMTBVQCNKIATTF-QWHCGFSZSA-N 1 3 251.374 1.774 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000345811558 391316506 /nfs/dbraw/zinc/31/65/06/391316506.db2.gz HMTBVQCNKIATTF-QWHCGFSZSA-N 1 3 251.374 1.774 20 30 CDEDHO C[C@H](CN)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423306847 392960576 /nfs/dbraw/zinc/96/05/76/392960576.db2.gz MDELLVCCEYZCDU-CQSZACIVSA-N 1 3 286.423 1.707 20 30 CDEDHO C=CCCC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000663507826 414308523 /nfs/dbraw/zinc/30/85/23/414308523.db2.gz ZYCZMSGMTVQBEG-CYBMUJFWSA-N 1 3 267.417 1.518 20 30 CDEDHO CC[C@@H](C)NC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000134476064 260913165 /nfs/dbraw/zinc/91/31/65/260913165.db2.gz MBLDCOHTAZMANP-GFCCVEGCSA-N 1 3 293.415 1.225 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123267601 268020533 /nfs/dbraw/zinc/02/05/33/268020533.db2.gz JCSSWZFLHJDUIO-CQSZACIVSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673380918 1173851347 /nfs/dbraw/zinc/85/13/47/1173851347.db2.gz OTRVSALTVLECBC-CABCVRRESA-N 1 3 279.428 1.177 20 30 CDEDHO C[C@@H]1CCC[C@@](CNC2=[NH+]CCN2C)(N(C)C)C1 ZINC000261588689 329971939 /nfs/dbraw/zinc/97/19/39/329971939.db2.gz VVYIHYKGKFJPKZ-TZMCWYRMSA-N 1 3 252.406 1.388 20 30 CDEDHO C[NH+]=C(NC[C@H]1CCCO1)NCC1(N(C)C)CCCCC1 ZINC000262569675 330021821 /nfs/dbraw/zinc/02/18/21/330021821.db2.gz MSANTYZNRVGURK-CQSZACIVSA-N 1 3 296.459 1.595 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C1CCC1 ZINC000263011948 330038707 /nfs/dbraw/zinc/03/87/07/330038707.db2.gz CDHBUEIPLIPVOH-MELADBBJSA-N 1 3 264.417 1.564 20 30 CDEDHO [NH2+]=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC1 ZINC000263117380 330044501 /nfs/dbraw/zinc/04/45/01/330044501.db2.gz LPYSQIZFNFNGEA-HNNXBMFYSA-N 1 3 272.396 1.529 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000424135306 330269630 /nfs/dbraw/zinc/26/96/30/330269630.db2.gz OXBVWDGXNSLRCX-HZSPNIEDSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000424135306 330269631 /nfs/dbraw/zinc/26/96/31/330269631.db2.gz OXBVWDGXNSLRCX-HZSPNIEDSA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424144888 330290098 /nfs/dbraw/zinc/29/00/98/330290098.db2.gz MLKFKSXUOIWHBE-LSDHHAIUSA-N 1 3 292.427 1.342 20 30 CDEDHO C=C(CN(C)C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000764406458 575904865 /nfs/dbraw/zinc/90/48/65/575904865.db2.gz OQZJIFHFWKQQJI-CYBMUJFWSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CCC)C2)CC1 ZINC000970920064 613130988 /nfs/dbraw/zinc/13/09/88/613130988.db2.gz IRYQGULXFSOIDM-AWEZNQCLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947496608 613257137 /nfs/dbraw/zinc/25/71/37/613257137.db2.gz CDUDGWGZUDBAGY-GJZGRUSLSA-N 1 3 289.423 1.217 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353867 613616861 /nfs/dbraw/zinc/61/68/61/613616861.db2.gz JCBNHLYEKBWEGH-OLZOCXBDSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353867 613616863 /nfs/dbraw/zinc/61/68/63/613616863.db2.gz JCBNHLYEKBWEGH-OLZOCXBDSA-N 1 3 253.390 1.045 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787782 629512159 /nfs/dbraw/zinc/51/21/59/629512159.db2.gz MEJUGTANAUDBRT-UONOGXRCSA-N 1 3 269.433 1.885 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849025542 688249410 /nfs/dbraw/zinc/24/94/10/688249410.db2.gz MMLDVFMWYGWHEF-ZNMIVQPWSA-N 1 3 294.443 1.566 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc2c(c1)OCCO2 ZINC000380840922 688273765 /nfs/dbraw/zinc/27/37/65/688273765.db2.gz OMTKYTVQDQTPTC-UHFFFAOYSA-N 1 3 274.364 1.503 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc2c(c1)OCCO2 ZINC000380840922 688273771 /nfs/dbraw/zinc/27/37/71/688273771.db2.gz OMTKYTVQDQTPTC-UHFFFAOYSA-N 1 3 274.364 1.503 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994255185 688359946 /nfs/dbraw/zinc/35/99/46/688359946.db2.gz PSLPBSQJQFYGCW-LSDHHAIUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577675 688826233 /nfs/dbraw/zinc/82/62/33/688826233.db2.gz QLKCLBIPYWBNPJ-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577675 688826236 /nfs/dbraw/zinc/82/62/36/688826236.db2.gz QLKCLBIPYWBNPJ-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000303897547 694369404 /nfs/dbraw/zinc/36/94/04/694369404.db2.gz QPJOJNDDZWTLFO-AGIUHOORSA-N 1 3 270.421 1.046 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327597 692188071 /nfs/dbraw/zinc/18/80/71/692188071.db2.gz JLCZWXHKTNAQJO-AWEZNQCLSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327597 692188075 /nfs/dbraw/zinc/18/80/75/692188075.db2.gz JLCZWXHKTNAQJO-AWEZNQCLSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]12 ZINC001026285318 692237658 /nfs/dbraw/zinc/23/76/58/692237658.db2.gz ZCEOPRUCIDDIFW-VNQPRFMTSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632408 692319017 /nfs/dbraw/zinc/31/90/17/692319017.db2.gz LKQJEKJGVIRPQW-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632408 692319022 /nfs/dbraw/zinc/31/90/22/692319022.db2.gz LKQJEKJGVIRPQW-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036192165 694534975 /nfs/dbraw/zinc/53/49/75/694534975.db2.gz IXSHMUZWDMDZRY-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033318422 692568654 /nfs/dbraw/zinc/56/86/54/692568654.db2.gz JLAWANXQFJZWLL-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033318422 692568658 /nfs/dbraw/zinc/56/86/58/692568658.db2.gz JLAWANXQFJZWLL-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCOc1ccccc1CNCCOCC[NH+](C)C ZINC000226744474 693284782 /nfs/dbraw/zinc/28/47/82/693284782.db2.gz IAMIXNQLBDNQKD-UHFFFAOYSA-N 1 3 276.380 1.366 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995899045 694644683 /nfs/dbraw/zinc/64/46/83/694644683.db2.gz VFMXLDNINYQXAV-CABCVRRESA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032406383 694723287 /nfs/dbraw/zinc/72/32/87/694723287.db2.gz YIDVCUJMBJZMMJ-HRCADAONSA-N 1 3 289.423 1.189 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001000199177 694665931 /nfs/dbraw/zinc/66/59/31/694665931.db2.gz NWERCVKORPJAJY-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049891724 694847221 /nfs/dbraw/zinc/84/72/21/694847221.db2.gz WZZIOACNCJXTRE-SOUVJXGZSA-N 1 3 277.412 1.189 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049891724 694847223 /nfs/dbraw/zinc/84/72/23/694847223.db2.gz WZZIOACNCJXTRE-SOUVJXGZSA-N 1 3 277.412 1.189 20 30 CDEDHO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198750 695078900 /nfs/dbraw/zinc/07/89/00/695078900.db2.gz FYJDZENIKPKGDI-RDJZCZTQSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198750 695078906 /nfs/dbraw/zinc/07/89/06/695078906.db2.gz FYJDZENIKPKGDI-RDJZCZTQSA-N 1 3 291.439 1.274 20 30 CDEDHO N#Cc1ccc(N2CCN(CCCCCC[NH3+])CC2)cn1 ZINC000872146380 695086631 /nfs/dbraw/zinc/08/66/31/695086631.db2.gz MQMBMECTGKETHG-UHFFFAOYSA-N 1 3 287.411 1.594 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430735 1162474030 /nfs/dbraw/zinc/47/40/30/1162474030.db2.gz WUTNSTRZQWZYNG-HNNXBMFYSA-N 1 3 277.412 1.123 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430735 1162474033 /nfs/dbraw/zinc/47/40/33/1162474033.db2.gz WUTNSTRZQWZYNG-HNNXBMFYSA-N 1 3 277.412 1.123 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274165 1163622613 /nfs/dbraw/zinc/62/26/13/1163622613.db2.gz CJJTZSZSZSVLRN-GJZGRUSLSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896119 1163953194 /nfs/dbraw/zinc/95/31/94/1163953194.db2.gz CQVCMDAHULOKNZ-UHFFFAOYSA-N 1 3 267.417 1.390 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706353 1164169744 /nfs/dbraw/zinc/16/97/44/1164169744.db2.gz SUCPSIMQCBAEGT-UONOGXRCSA-N 1 3 267.417 1.224 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001570534499 1170182239 /nfs/dbraw/zinc/18/22/39/1170182239.db2.gz KRNGKRCUPIOWLC-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001570534499 1170182244 /nfs/dbraw/zinc/18/22/44/1170182244.db2.gz KRNGKRCUPIOWLC-UONOGXRCSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001673946452 1173900496 /nfs/dbraw/zinc/90/04/96/1173900496.db2.gz NJWFNEZYGQQNTJ-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001700695141 1177080229 /nfs/dbraw/zinc/08/02/29/1177080229.db2.gz YIYKZUVVCQBEHK-OAHLLOKOSA-N 1 3 277.412 1.027 20 30 CDEDHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001700695141 1177080231 /nfs/dbraw/zinc/08/02/31/1177080231.db2.gz YIYKZUVVCQBEHK-OAHLLOKOSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001734601305 1183841566 /nfs/dbraw/zinc/84/15/66/1183841566.db2.gz HDALRYXJRVNWSO-YMAMQOFZSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753816055 1185343259 /nfs/dbraw/zinc/34/32/59/1185343259.db2.gz QOGORKAJHVAMAV-KGLIPLIRSA-N 1 3 290.411 1.745 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)CN(C)CCC)CCC1 ZINC001754991521 1185781202 /nfs/dbraw/zinc/78/12/02/1185781202.db2.gz QAARWZCKSMTPMA-UHFFFAOYSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001755316981 1185912155 /nfs/dbraw/zinc/91/21/55/1185912155.db2.gz WNLBGEXPYIDZRE-CYBMUJFWSA-N 1 3 269.433 1.587 20 30 CDEDHO C=CC[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001755316981 1185912159 /nfs/dbraw/zinc/91/21/59/1185912159.db2.gz WNLBGEXPYIDZRE-CYBMUJFWSA-N 1 3 269.433 1.587 20 30 CDEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001755386850 1185937214 /nfs/dbraw/zinc/93/72/14/1185937214.db2.gz WFZWVUDEDSBJRE-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896088 1163953806 /nfs/dbraw/zinc/95/38/06/1163953806.db2.gz CAXGDGAGOYMKQD-UHFFFAOYSA-N 1 3 253.390 1.000 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896444 1163955462 /nfs/dbraw/zinc/95/54/62/1163955462.db2.gz JKBMFEAUMJCYGP-CQSZACIVSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705370 723231365 /nfs/dbraw/zinc/23/13/65/723231365.db2.gz PAORXBWPZXQGRY-HZPDHXFCSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705370 723231367 /nfs/dbraw/zinc/23/13/67/723231367.db2.gz PAORXBWPZXQGRY-HZPDHXFCSA-N 1 3 293.455 1.731 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CC1 ZINC000193301208 723474811 /nfs/dbraw/zinc/47/48/11/723474811.db2.gz KECPDXRRLAJXJI-NSHDSACASA-N 1 3 270.446 1.271 20 30 CDEDHO CC1(N2CCC2)CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886317905 723248584 /nfs/dbraw/zinc/24/85/84/723248584.db2.gz DMRKLFJIFUOOLL-OAHLLOKOSA-N 1 3 291.439 1.991 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303902117 723350424 /nfs/dbraw/zinc/35/04/24/723350424.db2.gz XQGDNLMOEAMKGL-GJZGRUSLSA-N 1 3 286.423 1.715 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032411408 723603793 /nfs/dbraw/zinc/60/37/93/723603793.db2.gz NNHFABQPFXQZNJ-FXUDXRNXSA-N 1 3 291.439 1.578 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032411408 723603798 /nfs/dbraw/zinc/60/37/98/723603798.db2.gz NNHFABQPFXQZNJ-FXUDXRNXSA-N 1 3 291.439 1.578 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030381 723607870 /nfs/dbraw/zinc/60/78/70/723607870.db2.gz ZGWXKZQQDCISMA-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030381 723607876 /nfs/dbraw/zinc/60/78/76/723607876.db2.gz ZGWXKZQQDCISMA-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957986 723678096 /nfs/dbraw/zinc/67/80/96/723678096.db2.gz HIMXDVWCYMTRQW-OLZOCXBDSA-N 1 3 265.401 1.236 20 30 CDEDHO C[NH2+]CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001573896252 1167624856 /nfs/dbraw/zinc/62/48/56/1167624856.db2.gz ZOANGCUVGOJCDZ-UHFFFAOYSA-N 1 3 288.395 1.058 20 30 CDEDHO CC[N@@H+]1CC[C@@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001173356381 912471727 /nfs/dbraw/zinc/47/17/27/912471727.db2.gz AFBSZQDWFJHMSZ-VXGBXAGGSA-N 1 3 252.383 1.355 20 30 CDEDHO CC[N@H+]1CC[C@@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001173356381 912471740 /nfs/dbraw/zinc/47/17/40/912471740.db2.gz AFBSZQDWFJHMSZ-VXGBXAGGSA-N 1 3 252.383 1.355 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224880 894904536 /nfs/dbraw/zinc/90/45/36/894904536.db2.gz LXEVDYJQLSHOJT-HNNXBMFYSA-N 1 3 291.439 1.370 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001021896328 895915543 /nfs/dbraw/zinc/91/55/43/895915543.db2.gz XZODAZQQIRJOBJ-TUAOUCFPSA-N 1 3 271.792 1.070 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176752967 914257342 /nfs/dbraw/zinc/25/73/42/914257342.db2.gz BSLVYQXZRRFYDH-AWEZNQCLSA-N 1 3 269.433 1.777 20 30 CDEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691780 898889808 /nfs/dbraw/zinc/88/98/08/898889808.db2.gz VTXLQVFQDBYQDS-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525590 898967577 /nfs/dbraw/zinc/96/75/77/898967577.db2.gz QBWFNHQMGSFPNY-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001026503331 899954213 /nfs/dbraw/zinc/95/42/13/899954213.db2.gz SMRNGQCRZOHRCJ-GPANFISMSA-N 1 3 291.439 1.511 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029005130 904602825 /nfs/dbraw/zinc/60/28/25/904602825.db2.gz WUOWAZUVVGJMOV-OAHLLOKOSA-N 1 3 299.418 1.433 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728121 908988169 /nfs/dbraw/zinc/98/81/69/908988169.db2.gz BNUFIAKDBVLFIN-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728121 908988177 /nfs/dbraw/zinc/98/81/77/908988177.db2.gz BNUFIAKDBVLFIN-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001521686282 915841230 /nfs/dbraw/zinc/84/12/30/915841230.db2.gz LCJRSUCTXDZZEY-OAHLLOKOSA-N 1 3 279.428 1.661 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180124282 916166503 /nfs/dbraw/zinc/16/65/03/916166503.db2.gz SRUMWTSCJSLALD-UHFFFAOYSA-N 1 3 281.444 1.618 20 30 CDEDHO C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026233 917603990 /nfs/dbraw/zinc/60/39/90/917603990.db2.gz BCMBOWBKOCRTMO-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026233 917603999 /nfs/dbraw/zinc/60/39/99/917603999.db2.gz BCMBOWBKOCRTMO-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128793 917837912 /nfs/dbraw/zinc/83/79/12/917837912.db2.gz KIESBASXKXAQME-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001054735296 936469522 /nfs/dbraw/zinc/46/95/22/936469522.db2.gz CFKCBUHGSZKRSL-JSGCOSHPSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995804206 918176275 /nfs/dbraw/zinc/17/62/75/918176275.db2.gz RDKGBHIROFSOTR-GJZGRUSLSA-N 1 3 293.455 1.872 20 30 CDEDHO C#CCN1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997287901 919103374 /nfs/dbraw/zinc/10/33/74/919103374.db2.gz SKOFZWXPFCMIEV-CQSZACIVSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033127561 921886969 /nfs/dbraw/zinc/88/69/69/921886969.db2.gz VUYBHTHSCCJJNT-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033127561 921886983 /nfs/dbraw/zinc/88/69/83/921886983.db2.gz VUYBHTHSCCJJNT-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644998 922120565 /nfs/dbraw/zinc/12/05/65/922120565.db2.gz PHUIEHRXMXZJHK-AWEZNQCLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644998 922120578 /nfs/dbraw/zinc/12/05/78/922120578.db2.gz PHUIEHRXMXZJHK-AWEZNQCLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674741 922132576 /nfs/dbraw/zinc/13/25/76/922132576.db2.gz CXCYMAMJMJRFTR-HNNXBMFYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674741 922132584 /nfs/dbraw/zinc/13/25/84/922132584.db2.gz CXCYMAMJMJRFTR-HNNXBMFYSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001034786110 922815671 /nfs/dbraw/zinc/81/56/71/922815671.db2.gz JFOZZLTWRHMYEY-HDJSIYSDSA-N 1 3 290.411 1.854 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203104026 936830219 /nfs/dbraw/zinc/83/02/19/936830219.db2.gz PKUXXTQKTADCKQ-KGLIPLIRSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285404 924158354 /nfs/dbraw/zinc/15/83/54/924158354.db2.gz QVJFHFSCVFQPTD-ZDUSSCGKSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285404 924158358 /nfs/dbraw/zinc/15/83/58/924158358.db2.gz QVJFHFSCVFQPTD-ZDUSSCGKSA-N 1 3 253.390 1.045 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366784 937054523 /nfs/dbraw/zinc/05/45/23/937054523.db2.gz QMGGDVPDPILODS-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366784 937054527 /nfs/dbraw/zinc/05/45/27/937054527.db2.gz QMGGDVPDPILODS-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC)CC1 ZINC001085985058 926571559 /nfs/dbraw/zinc/57/15/59/926571559.db2.gz RLTONRXGBHLTCU-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC)CC1 ZINC001085985058 926571564 /nfs/dbraw/zinc/57/15/64/926571564.db2.gz RLTONRXGBHLTCU-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001086382068 927051114 /nfs/dbraw/zinc/05/11/14/927051114.db2.gz RXUUHVODYMMSBQ-BZUAXINKSA-N 1 3 293.455 1.921 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495643 928578864 /nfs/dbraw/zinc/57/88/64/928578864.db2.gz HLHFDNPKLSRNND-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312404 937438475 /nfs/dbraw/zinc/43/84/75/937438475.db2.gz IIKQCLPATJDSSX-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312404 937438477 /nfs/dbraw/zinc/43/84/77/937438477.db2.gz IIKQCLPATJDSSX-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153727528 937464277 /nfs/dbraw/zinc/46/42/77/937464277.db2.gz CFOIZJCUVWDIDN-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153727528 937464278 /nfs/dbraw/zinc/46/42/78/937464278.db2.gz CFOIZJCUVWDIDN-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCOC(=O)[C@@H](N)CCCCNc1cc[nH+]c(C)c1F ZINC001171072405 931487267 /nfs/dbraw/zinc/48/72/67/931487267.db2.gz MCQLEELRRNQQTC-LBPRGKRZSA-N 1 3 295.358 1.590 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171236565 932079363 /nfs/dbraw/zinc/07/93/63/932079363.db2.gz NOZQUDIOBCRMNX-HNNXBMFYSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044796345 935869953 /nfs/dbraw/zinc/86/99/53/935869953.db2.gz JSEPUOGYZFMSQY-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883680 938837177 /nfs/dbraw/zinc/83/71/77/938837177.db2.gz SUOMMHZCHOFKTB-CYBMUJFWSA-N 1 3 255.406 1.389 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883776 938837189 /nfs/dbraw/zinc/83/71/89/938837189.db2.gz UYIWHFDGLHFGEX-ZIAGYGMSSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161220074 938879974 /nfs/dbraw/zinc/87/99/74/938879974.db2.gz SJAMKFWRHSWGJD-OAHLLOKOSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161220074 938879976 /nfs/dbraw/zinc/87/99/76/938879976.db2.gz SJAMKFWRHSWGJD-OAHLLOKOSA-N 1 3 289.423 1.100 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc(Cl)c(C#N)n1 ZINC001163122648 939204650 /nfs/dbraw/zinc/20/46/50/939204650.db2.gz OQWQJDYXLZTUFE-UHFFFAOYSA-N 1 3 294.790 1.885 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425096 939608539 /nfs/dbraw/zinc/60/85/39/939608539.db2.gz PBDMHURNFHYDHG-CYBMUJFWSA-N 1 3 289.851 1.955 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203519999 939690656 /nfs/dbraw/zinc/69/06/56/939690656.db2.gz CJEUBHFYADEVNX-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206411536 940033399 /nfs/dbraw/zinc/03/33/99/940033399.db2.gz UIFRRHSAMPRTOK-UHFFFAOYSA-N 1 3 290.411 1.747 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334373 940320690 /nfs/dbraw/zinc/32/06/90/940320690.db2.gz JAUYZZMHEUHCMG-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575104 940343198 /nfs/dbraw/zinc/34/31/98/940343198.db2.gz IMTNFQNYNZIZRZ-OAGGEKHMSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210812039 940714784 /nfs/dbraw/zinc/71/47/84/940714784.db2.gz TTZZJWYCCNVZFH-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO CC(=O)/C=C(/C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219911379 941395848 /nfs/dbraw/zinc/39/58/48/941395848.db2.gz JALHYFZBIRMJNF-FUWURINLSA-N 1 3 269.389 1.091 20 30 CDEDHO C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c1cccc(C#N)c1 ZINC001220046789 941407677 /nfs/dbraw/zinc/40/76/77/941407677.db2.gz DMMQZYDCVMUJBP-FZMZJTMJSA-N 1 3 274.368 1.192 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227832445 942235602 /nfs/dbraw/zinc/23/56/02/942235602.db2.gz ITIQHMABUNMTSC-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+]CCN(C)CCN(C)Cc1ccccc1 ZINC001236307726 944461666 /nfs/dbraw/zinc/46/16/66/944461666.db2.gz NAYFSKJJHDQFJR-UHFFFAOYSA-N 1 3 261.413 1.826 20 30 CDEDHO N#C[C@@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C1 ZINC001254657168 947574252 /nfs/dbraw/zinc/57/42/52/947574252.db2.gz OBSDBMOYNRNHPW-KGLIPLIRSA-N 1 3 250.390 1.035 20 30 CDEDHO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H](N)[C@H](O)C3)CC2)cc1 ZINC001246559309 948269682 /nfs/dbraw/zinc/26/96/82/948269682.db2.gz OGQCAMNVBGGZPM-OPQOLIRYSA-N 1 3 299.418 1.978 20 30 CDEDHO N#Cc1ccc(C2CCC([N@H+]3CC[C@@H](N)[C@H](O)C3)CC2)cc1 ZINC001246559309 948269688 /nfs/dbraw/zinc/26/96/88/948269688.db2.gz OGQCAMNVBGGZPM-OPQOLIRYSA-N 1 3 299.418 1.978 20 30 CDEDHO N#Cc1ccc(C2CCC(N3CC[C@@H]([NH3+])[C@H](O)C3)CC2)cc1 ZINC001246559309 948269693 /nfs/dbraw/zinc/26/96/93/948269693.db2.gz OGQCAMNVBGGZPM-OPQOLIRYSA-N 1 3 299.418 1.978 20 30 CDEDHO C[C@@H](CCCC#N)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617633 948347824 /nfs/dbraw/zinc/34/78/24/948347824.db2.gz HZTVOUVHZPGONM-IHRRRGAJSA-N 1 3 250.390 1.095 20 30 CDEDHO C=C[C@@H](O)CN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001253576799 951962617 /nfs/dbraw/zinc/96/26/17/951962617.db2.gz HUMAHFQQKOTQJU-FGTMMUONSA-N 1 3 286.419 1.906 20 30 CDEDHO C=C[C@@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001253576799 951962624 /nfs/dbraw/zinc/96/26/24/951962624.db2.gz HUMAHFQQKOTQJU-FGTMMUONSA-N 1 3 286.419 1.906 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001330359234 956394922 /nfs/dbraw/zinc/39/49/22/956394922.db2.gz HEUQBJJPYHEZTM-JONQDZQNSA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001330359234 956394934 /nfs/dbraw/zinc/39/49/34/956394934.db2.gz HEUQBJJPYHEZTM-JONQDZQNSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317161666 957312786 /nfs/dbraw/zinc/31/27/86/957312786.db2.gz JCTOSYMLCYJODS-CABCVRRESA-N 1 3 281.444 1.587 20 30 CDEDHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC#CCN(C)C ZINC001335381728 959756830 /nfs/dbraw/zinc/75/68/30/959756830.db2.gz MKZPJKAXSKFMCB-GOEBONIOSA-N 1 3 260.381 1.306 20 30 CDEDHO CN(C)CC#CC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001335968863 960127658 /nfs/dbraw/zinc/12/76/58/960127658.db2.gz LTIJFHABSNIINI-UHFFFAOYSA-N 1 3 277.343 1.309 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC001341641707 963493647 /nfs/dbraw/zinc/49/36/47/963493647.db2.gz CLRHCSXLGTWNPG-ZDUSSCGKSA-N 1 3 274.368 1.349 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001341659753 963500454 /nfs/dbraw/zinc/50/04/54/963500454.db2.gz SGKYYYXFFJTWLT-GJZGRUSLSA-N 1 3 279.428 1.757 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC001341856513 963561782 /nfs/dbraw/zinc/56/17/82/963561782.db2.gz CQSISSLRHFACLG-ZDUSSCGKSA-N 1 3 255.406 1.470 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405912 968260167 /nfs/dbraw/zinc/26/01/67/968260167.db2.gz RZXPFIVFWFTPAI-UHFFFAOYSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC001521424231 970295835 /nfs/dbraw/zinc/29/58/35/970295835.db2.gz AYGXYGJIKOXDBU-ZIAGYGMSSA-N 1 3 269.433 1.763 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001398686245 976107315 /nfs/dbraw/zinc/10/73/15/976107315.db2.gz JOIBSKWXYLWXAP-ZIAGYGMSSA-N 1 3 299.846 1.661 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887338 1163501736 /nfs/dbraw/zinc/50/17/36/1163501736.db2.gz DLODPPPIQPRFBU-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)c1 ZINC000593320382 342788091 /nfs/dbraw/zinc/78/80/91/342788091.db2.gz HLTLMBTXPDBFIC-SFHVURJKSA-N 1 3 298.434 1.864 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000593320382 342788092 /nfs/dbraw/zinc/78/80/92/342788092.db2.gz HLTLMBTXPDBFIC-SFHVURJKSA-N 1 3 298.434 1.864 20 30 CDEDHO CN(C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000080576329 342356742 /nfs/dbraw/zinc/35/67/42/342356742.db2.gz UPMUUKLWWQYLRX-CYBMUJFWSA-N 1 3 276.384 1.366 20 30 CDEDHO C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000597992984 343683323 /nfs/dbraw/zinc/68/33/23/343683323.db2.gz QKLGNLPXRUZWHL-XJKSGUPXSA-N 1 3 298.390 1.697 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000447543637 362454442 /nfs/dbraw/zinc/45/44/42/362454442.db2.gz RTLKTQHLUQCEOD-CHWSQXEVSA-N 1 3 251.374 1.115 20 30 CDEDHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(C#N)n2)C1 ZINC000602687367 350141494 /nfs/dbraw/zinc/14/14/94/350141494.db2.gz KTKLUXXQOYASJT-ZDUSSCGKSA-N 1 3 258.369 1.775 20 30 CDEDHO C[N@H+]1CCC[C@@H](CCNCc2cccc(C#N)n2)C1 ZINC000602687367 350141496 /nfs/dbraw/zinc/14/14/96/350141496.db2.gz KTKLUXXQOYASJT-ZDUSSCGKSA-N 1 3 258.369 1.775 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1F ZINC000264059842 362953944 /nfs/dbraw/zinc/95/39/44/362953944.db2.gz CJLJFJJJZUQBGW-CQSZACIVSA-N 1 3 292.402 1.757 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)CCC[NH3+])C(C)C ZINC000269234571 359370871 /nfs/dbraw/zinc/37/08/71/359370871.db2.gz KZVASJRZHJOFIC-CQSZACIVSA-N 1 3 267.417 1.540 20 30 CDEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000104529735 363960753 /nfs/dbraw/zinc/96/07/53/363960753.db2.gz IHEKARAVRIOCEH-UHFFFAOYSA-N 1 3 293.455 1.378 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417518816 377820948 /nfs/dbraw/zinc/82/09/48/377820948.db2.gz DDSOBQOCBNBQSU-CQSZACIVSA-N 1 3 294.443 1.326 20 30 CDEDHO C#CCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000291644892 378462799 /nfs/dbraw/zinc/46/27/99/378462799.db2.gz BZZCCPYFLJOFSH-CQSZACIVSA-N 1 3 260.381 1.986 20 30 CDEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158952657 390938333 /nfs/dbraw/zinc/93/83/33/390938333.db2.gz BLYGZXCEBIXAGW-KFWWJZLASA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158952657 390938334 /nfs/dbraw/zinc/93/83/34/390938334.db2.gz BLYGZXCEBIXAGW-KFWWJZLASA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158952657 390938335 /nfs/dbraw/zinc/93/83/35/390938335.db2.gz BLYGZXCEBIXAGW-KFWWJZLASA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158952657 390938336 /nfs/dbraw/zinc/93/83/36/390938336.db2.gz BLYGZXCEBIXAGW-KFWWJZLASA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCN1CC[C@@H](N2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000366899348 391168926 /nfs/dbraw/zinc/16/89/26/391168926.db2.gz BQBQLFKDHDSVHD-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000491743326 391264638 /nfs/dbraw/zinc/26/46/38/391264638.db2.gz UGOFKQDDYCVDNJ-CQSZACIVSA-N 1 3 294.443 1.019 20 30 CDEDHO CC(C#N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000347128519 226037621 /nfs/dbraw/zinc/03/76/21/226037621.db2.gz GEXUHWDRORWSNU-ZDUSSCGKSA-N 1 3 289.379 1.793 20 30 CDEDHO C[NH+](C)C1CCN(CCNCc2ccc(C#N)cc2)CC1 ZINC000176989673 282051538 /nfs/dbraw/zinc/05/15/38/282051538.db2.gz POZFJPSKRVPWCE-UHFFFAOYSA-N 1 3 286.423 1.674 20 30 CDEDHO CC#CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339662114 328012729 /nfs/dbraw/zinc/01/27/29/328012729.db2.gz GVYPAQBFSUAQMN-XYPWUTKMSA-N 1 3 264.413 1.973 20 30 CDEDHO CC#CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339662114 328012730 /nfs/dbraw/zinc/01/27/30/328012730.db2.gz GVYPAQBFSUAQMN-XYPWUTKMSA-N 1 3 264.413 1.973 20 30 CDEDHO C#CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177506178 329185203 /nfs/dbraw/zinc/18/52/03/329185203.db2.gz DSOSVCZMGOFUJZ-GJZGRUSLSA-N 1 3 264.413 1.831 20 30 CDEDHO CN(C)CC[NH+]1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000576220227 327024914 /nfs/dbraw/zinc/02/49/14/327024914.db2.gz HLGGKVCGNMWFJP-CQSZACIVSA-N 1 3 277.416 1.046 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000175477690 329168923 /nfs/dbraw/zinc/16/89/23/329168923.db2.gz AJUNVKNMCKEVOD-UHFFFAOYSA-N 1 3 296.459 1.668 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](CC)CCC)CC1 ZINC000175477690 329168924 /nfs/dbraw/zinc/16/89/24/329168924.db2.gz AJUNVKNMCKEVOD-UHFFFAOYSA-N 1 3 296.459 1.668 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331219 329761608 /nfs/dbraw/zinc/76/16/08/329761608.db2.gz DJYDCTOQWBMQIM-LSDHHAIUSA-N 1 3 277.412 1.237 20 30 CDEDHO CN(C)CCOc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262669730 330025742 /nfs/dbraw/zinc/02/57/42/330025742.db2.gz QLPVVMNKQTXZRC-UHFFFAOYSA-N 1 3 276.384 1.018 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC1(F)F ZINC000263177443 330047507 /nfs/dbraw/zinc/04/75/07/330047507.db2.gz SWKLYPRCNQCEAP-RYUDHWBXSA-N 1 3 288.386 1.810 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000424135310 330269645 /nfs/dbraw/zinc/26/96/45/330269645.db2.gz OXBVWDGXNSLRCX-MCIONIFRSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000424135310 330269647 /nfs/dbraw/zinc/26/96/47/330269647.db2.gz OXBVWDGXNSLRCX-MCIONIFRSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139419 330279001 /nfs/dbraw/zinc/27/90/01/330279001.db2.gz VGAYCMRIDMBBQI-MGPQQGTHSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)[N@H+]1CCCC[C@H]1C ZINC000424139419 330279002 /nfs/dbraw/zinc/27/90/02/330279002.db2.gz VGAYCMRIDMBBQI-MGPQQGTHSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424154805 330302016 /nfs/dbraw/zinc/30/20/16/330302016.db2.gz MAMDFRWZTQAJGN-UONOGXRCSA-N 1 3 294.443 1.634 20 30 CDEDHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424154805 330302017 /nfs/dbraw/zinc/30/20/17/330302017.db2.gz MAMDFRWZTQAJGN-UONOGXRCSA-N 1 3 294.443 1.634 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000424197121 330325399 /nfs/dbraw/zinc/32/53/99/330325399.db2.gz NLBRTHRHZKKCQF-GJZGRUSLSA-N 1 3 288.395 1.604 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000490594725 332093339 /nfs/dbraw/zinc/09/33/39/332093339.db2.gz VDULPOXHMDGIIA-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000490594725 332093341 /nfs/dbraw/zinc/09/33/41/332093341.db2.gz VDULPOXHMDGIIA-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000490589309 332093624 /nfs/dbraw/zinc/09/36/24/332093624.db2.gz DJVMRHPTEGSMAK-AWEZNQCLSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000490635172 332098009 /nfs/dbraw/zinc/09/80/09/332098009.db2.gz DTIXBHUDROBDAE-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000490635172 332098010 /nfs/dbraw/zinc/09/80/10/332098010.db2.gz DTIXBHUDROBDAE-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000491669809 332277353 /nfs/dbraw/zinc/27/73/53/332277353.db2.gz UUQJOUKKKXCZOH-MRXNPFEDSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000491669809 332277355 /nfs/dbraw/zinc/27/73/55/332277355.db2.gz UUQJOUKKKXCZOH-MRXNPFEDSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN(C)CCCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000491788328 332350638 /nfs/dbraw/zinc/35/06/38/332350638.db2.gz XSPWHBPVEUVXKV-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038262826 1159232833 /nfs/dbraw/zinc/23/28/33/1159232833.db2.gz OTMKLJDECZTGRC-HUUCEWRRSA-N 1 3 277.412 1.095 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001752787071 1160260994 /nfs/dbraw/zinc/26/09/94/1160260994.db2.gz FWDIEBPRBNGCQY-HZPDHXFCSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001752787071 1160260999 /nfs/dbraw/zinc/26/09/99/1160260999.db2.gz FWDIEBPRBNGCQY-HZPDHXFCSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000753026203 577140566 /nfs/dbraw/zinc/14/05/66/577140566.db2.gz YAGLDVUGLPCFQK-CYBMUJFWSA-N 1 3 255.406 1.341 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000753026203 577140569 /nfs/dbraw/zinc/14/05/69/577140569.db2.gz YAGLDVUGLPCFQK-CYBMUJFWSA-N 1 3 255.406 1.341 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC(C)C)C2)CC1 ZINC001032206505 1161303239 /nfs/dbraw/zinc/30/32/39/1161303239.db2.gz CGZIREKQSXUIDL-UHFFFAOYSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001755526180 1185979870 /nfs/dbraw/zinc/97/98/70/1185979870.db2.gz BTRWARTXWOKEOT-HUUCEWRRSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113292355 1162147863 /nfs/dbraw/zinc/14/78/63/1162147863.db2.gz UTTBLYHBDOPIJY-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000352720350 526432644 /nfs/dbraw/zinc/43/26/44/526432644.db2.gz LQVMDJAIPRBOIX-UHFFFAOYSA-N 1 3 296.459 1.668 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](C)CCCC)CC1 ZINC000352720350 526432649 /nfs/dbraw/zinc/43/26/49/526432649.db2.gz LQVMDJAIPRBOIX-UHFFFAOYSA-N 1 3 296.459 1.668 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333168612 526594163 /nfs/dbraw/zinc/59/41/63/526594163.db2.gz HTKNYCBNGVSAJW-CQSZACIVSA-N 1 3 280.416 1.078 20 30 CDEDHO C#CCOCCN[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000753768830 576858615 /nfs/dbraw/zinc/85/86/15/576858615.db2.gz NIXYRKNTMJFZNY-HOTGVXAUSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCOCCN[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000753768830 576858616 /nfs/dbraw/zinc/85/86/16/576858616.db2.gz NIXYRKNTMJFZNY-HOTGVXAUSA-N 1 3 282.428 1.363 20 30 CDEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841609 613305282 /nfs/dbraw/zinc/30/52/82/613305282.db2.gz HJGGNSBQFVXRIO-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841609 613305284 /nfs/dbraw/zinc/30/52/84/613305284.db2.gz HJGGNSBQFVXRIO-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684585 613578070 /nfs/dbraw/zinc/57/80/70/613578070.db2.gz JBAFVGQUCJZYRL-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000925893890 695844073 /nfs/dbraw/zinc/84/40/73/695844073.db2.gz RWWTXEBELGKGEW-CHWSQXEVSA-N 1 3 259.357 1.225 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC000995876854 695212008 /nfs/dbraw/zinc/21/20/08/695212008.db2.gz BEUKDBPXWBROLN-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989448908 695220406 /nfs/dbraw/zinc/22/04/06/695220406.db2.gz ABADEPFAMJXULM-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)C2)CC1 ZINC001016335187 695323469 /nfs/dbraw/zinc/32/34/69/695323469.db2.gz BJGVELHURKECGO-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001016335187 695323471 /nfs/dbraw/zinc/32/34/71/695323471.db2.gz BJGVELHURKECGO-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744426 695354105 /nfs/dbraw/zinc/35/41/05/695354105.db2.gz OWHHHSYGWIRMIL-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992149938 695416486 /nfs/dbraw/zinc/41/64/86/695416486.db2.gz GNDQNEQZQXRDFG-WBVHZDCISA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC000073437071 695461413 /nfs/dbraw/zinc/46/14/13/695461413.db2.gz WONUZBOHMWOESX-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166546 695654769 /nfs/dbraw/zinc/65/47/69/695654769.db2.gz PQKXIGRERCXJGY-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166546 695654772 /nfs/dbraw/zinc/65/47/72/695654772.db2.gz PQKXIGRERCXJGY-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045621368 695717280 /nfs/dbraw/zinc/71/72/80/695717280.db2.gz JIFMWXXRYCLJNC-UHFFFAOYSA-N 1 3 277.412 1.239 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC)CC2)CC1 ZINC001034795957 695827272 /nfs/dbraw/zinc/82/72/72/695827272.db2.gz ZEGBYSNYVXUDHI-WKILWMFISA-N 1 3 291.439 1.369 20 30 CDEDHO CCO[C@H](CCNC(=[NH2+])NC[C@H]1CCCN1CC)C(C)C ZINC000304771357 695982662 /nfs/dbraw/zinc/98/26/62/695982662.db2.gz AAHZOKNTVUPMAI-HUUCEWRRSA-N 1 3 298.475 1.826 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015648896 696078158 /nfs/dbraw/zinc/07/81/58/696078158.db2.gz MQHMNKNMBVQMAP-AWEZNQCLSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235425 696202019 /nfs/dbraw/zinc/20/20/19/696202019.db2.gz XHESENWFLAPROX-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001753811599 1159913650 /nfs/dbraw/zinc/91/36/50/1159913650.db2.gz KVOYMNRCXWVDJV-HIFRSBDPSA-N 1 3 288.395 1.192 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538206 1162209474 /nfs/dbraw/zinc/20/94/74/1162209474.db2.gz CBTGFLUVQCMGCO-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538206 1162209477 /nfs/dbraw/zinc/20/94/77/1162209477.db2.gz CBTGFLUVQCMGCO-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273233 1163224202 /nfs/dbraw/zinc/22/42/02/1163224202.db2.gz FGBPGYACIDDCMS-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO CN1CC[NH+](C2CCN(CCC(C)(C)C#N)CC2)CC1 ZINC000879593807 1166383121 /nfs/dbraw/zinc/38/31/21/1166383121.db2.gz NYMBPFMYKATLQE-UHFFFAOYSA-N 1 3 278.444 1.638 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661833092 1172452419 /nfs/dbraw/zinc/45/24/19/1172452419.db2.gz VYVBTEMNQWKPQU-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001716005726 1179978762 /nfs/dbraw/zinc/97/87/62/1179978762.db2.gz WTTALFGBGQEJRX-QWHCGFSZSA-N 1 3 255.406 1.243 20 30 CDEDHO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001717458882 1180679815 /nfs/dbraw/zinc/67/98/15/1180679815.db2.gz INJKBXDCWGQUNP-CQSZACIVSA-N 1 3 283.460 1.977 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001752980909 1184981889 /nfs/dbraw/zinc/98/18/89/1184981889.db2.gz SXXDSAQVXBVNGA-CABCVRRESA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001753084733 1185049761 /nfs/dbraw/zinc/04/97/61/1185049761.db2.gz BEKCGPNGZMSBTF-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN(CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001753084733 1185049765 /nfs/dbraw/zinc/04/97/65/1185049765.db2.gz BEKCGPNGZMSBTF-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001754630321 1185689797 /nfs/dbraw/zinc/68/97/97/1185689797.db2.gz XJECLLHTSFZLLM-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794617 1185732566 /nfs/dbraw/zinc/73/25/66/1185732566.db2.gz DWPJVKBMMBOIJM-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001754817979 1185740216 /nfs/dbraw/zinc/74/02/16/1185740216.db2.gz OUONUFHEHCDDRZ-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+]CC1(NC(=O)CN(C)CCC)CCCCC1 ZINC001755355646 1185925892 /nfs/dbraw/zinc/92/58/92/1185925892.db2.gz OFVUPIFSYQGXPJ-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579541 724416740 /nfs/dbraw/zinc/41/67/40/724416740.db2.gz GVDADPHLFKXYLU-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579541 724416745 /nfs/dbraw/zinc/41/67/45/724416745.db2.gz GVDADPHLFKXYLU-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831127335 723702454 /nfs/dbraw/zinc/70/24/54/723702454.db2.gz KXKQDKFVPDSQEV-UHFFFAOYSA-N 1 3 296.459 1.845 20 30 CDEDHO C=CCNC(=[NH2+])NCC1(N(C)C)CCCCCC1 ZINC000261661295 723769774 /nfs/dbraw/zinc/76/97/74/723769774.db2.gz ATYFJRGBQGAEJB-UHFFFAOYSA-N 1 3 252.406 1.731 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008406476 723817098 /nfs/dbraw/zinc/81/70/98/723817098.db2.gz OCUSNQWSALPQBA-HNNXBMFYSA-N 1 3 279.428 1.485 20 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/nfs/dbraw/zinc/76/70/63/724767063.db2.gz WFWOMTTZYXPQPA-XHSDSOJGSA-N 1 3 291.439 1.293 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059506 724802342 /nfs/dbraw/zinc/80/23/42/724802342.db2.gz RXLUTTDOLDIBJL-HRCADAONSA-N 1 3 291.439 1.295 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059506 724802344 /nfs/dbraw/zinc/80/23/44/724802344.db2.gz RXLUTTDOLDIBJL-HRCADAONSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001006445038 723797010 /nfs/dbraw/zinc/79/70/10/723797010.db2.gz YRVLZBNUSFPIMM-HUUCEWRRSA-N 1 3 293.455 1.968 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547490 724001180 /nfs/dbraw/zinc/00/11/80/724001180.db2.gz SPLUQWFMWVDZLD-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027547490 724001185 /nfs/dbraw/zinc/00/11/85/724001185.db2.gz SPLUQWFMWVDZLD-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072815691 724030506 /nfs/dbraw/zinc/03/05/06/724030506.db2.gz CFYHFDVVCMTMEK-UHFFFAOYSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072815691 724030509 /nfs/dbraw/zinc/03/05/09/724030509.db2.gz CFYHFDVVCMTMEK-UHFFFAOYSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014628588 724122032 /nfs/dbraw/zinc/12/20/32/724122032.db2.gz JFANWBKXHQGPIF-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014628588 724122033 /nfs/dbraw/zinc/12/20/33/724122033.db2.gz JFANWBKXHQGPIF-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021088333 725224272 /nfs/dbraw/zinc/22/42/72/725224272.db2.gz NAHVPBJNQXNBQE-YXSUXZIUSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021088333 725224277 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C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039469889 725398625 /nfs/dbraw/zinc/39/86/25/725398625.db2.gz LVTPSMGPLZOSIG-OAGGEKHMSA-N 1 3 291.439 1.580 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOCCC(C)C ZINC000303863691 725428175 /nfs/dbraw/zinc/42/81/75/725428175.db2.gz AMTSCIHMUQGHTM-AWEZNQCLSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045445040 725436076 /nfs/dbraw/zinc/43/60/76/725436076.db2.gz QBXLJCXHAHCDCK-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045445040 725436080 /nfs/dbraw/zinc/43/60/80/725436080.db2.gz QBXLJCXHAHCDCK-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100128 725439163 /nfs/dbraw/zinc/43/91/63/725439163.db2.gz YPCBHAXJZPMQNJ-ARKGTOAJSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100128 725439164 /nfs/dbraw/zinc/43/91/64/725439164.db2.gz YPCBHAXJZPMQNJ-ARKGTOAJSA-N 1 3 289.423 1.236 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC)[C@H]2C)CC1 ZINC000994500940 725948492 /nfs/dbraw/zinc/94/84/92/725948492.db2.gz RVLPBQQPJZEQDG-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC)[C@H]2C)CC1 ZINC000994500940 725948497 /nfs/dbraw/zinc/94/84/97/725948497.db2.gz RVLPBQQPJZEQDG-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001752950798 1166985275 /nfs/dbraw/zinc/98/52/75/1166985275.db2.gz BDVSCDRFDQUBCD-HOTGVXAUSA-N 1 3 293.455 1.733 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167225367 894908291 /nfs/dbraw/zinc/90/82/91/894908291.db2.gz SPLQQMKPYKCTEV-AWEZNQCLSA-N 1 3 279.428 1.533 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691722 898890027 /nfs/dbraw/zinc/89/00/27/898890027.db2.gz SRMWAILGJCBPQW-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO COC(=O)C1(C#N)CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168331065 909071299 /nfs/dbraw/zinc/07/12/99/909071299.db2.gz XWLSJEMCFZYXGV-UHFFFAOYSA-N 1 3 293.411 1.638 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106907477 915419167 /nfs/dbraw/zinc/41/91/67/915419167.db2.gz NGRHTRAFHDVRNP-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182933845 918240060 /nfs/dbraw/zinc/24/00/60/918240060.db2.gz PEXNBMMOKWRGPT-NVXWUHKLSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001486446211 921018643 /nfs/dbraw/zinc/01/86/43/921018643.db2.gz BZPPEVUSINRGSZ-HOCLYGCPSA-N 1 3 293.455 1.423 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203028380 936706884 /nfs/dbraw/zinc/70/68/84/936706884.db2.gz MUMCFPPCOYKSDE-UONOGXRCSA-N 1 3 291.439 1.674 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086216886 926840495 /nfs/dbraw/zinc/84/04/95/926840495.db2.gz FDBWZAUMBBHJMC-XHSDSOJGSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152383184 937358095 /nfs/dbraw/zinc/35/80/95/937358095.db2.gz DHMICLZGZZCITH-UHFFFAOYSA-N 1 3 275.396 1.644 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312403 937438895 /nfs/dbraw/zinc/43/88/95/937438895.db2.gz IIKQCLPATJDSSX-CVEARBPZSA-N 1 3 293.455 1.709 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312403 937438897 /nfs/dbraw/zinc/43/88/97/937438897.db2.gz IIKQCLPATJDSSX-CVEARBPZSA-N 1 3 293.455 1.709 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153727525 937464324 /nfs/dbraw/zinc/46/43/24/937464324.db2.gz CFOIZJCUVWDIDN-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153727525 937464325 /nfs/dbraw/zinc/46/43/25/937464325.db2.gz CFOIZJCUVWDIDN-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171249000 932119813 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C#CCN1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175568 938773814 /nfs/dbraw/zinc/77/38/14/938773814.db2.gz YYAQHBKRNBLGSB-GDBMZVCRSA-N 1 3 289.423 1.098 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793695 939704621 /nfs/dbraw/zinc/70/46/21/939704621.db2.gz SUGKQRHCLCCQQM-CABCVRRESA-N 1 3 293.455 1.920 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469474 939891876 /nfs/dbraw/zinc/89/18/76/939891876.db2.gz HFCJQVXYEMUTBI-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611054 940832877 /nfs/dbraw/zinc/83/28/77/940832877.db2.gz MQLAFTAGKVZHQB-BZUAXINKSA-N 1 3 291.439 1.319 20 30 CDEDHO CCCCCCCCNC(=O)NCCC[NH2+]CCCN ZINC001239253121 945367347 /nfs/dbraw/zinc/36/73/47/945367347.db2.gz OKOHFYPTAMQDHW-UHFFFAOYSA-N 1 3 286.464 1.975 20 30 CDEDHO N#C[C@H]1CNC[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832618 941022282 /nfs/dbraw/zinc/02/22/82/941022282.db2.gz PORBSWKTCXRWDQ-KBPBESRZSA-N 1 3 251.374 1.284 20 30 CDEDHO N#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001220095344 941412303 /nfs/dbraw/zinc/41/23/03/941412303.db2.gz WGDRCDYASGJLIT-MGPQQGTHSA-N 1 3 290.411 1.059 20 30 CDEDHO N#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001220095344 941412304 /nfs/dbraw/zinc/41/23/04/941412304.db2.gz WGDRCDYASGJLIT-MGPQQGTHSA-N 1 3 290.411 1.059 20 30 CDEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221292627 941513293 /nfs/dbraw/zinc/51/32/93/941513293.db2.gz PUXLWPVHYQDHRD-DZGCQCFKSA-N 1 3 282.432 1.490 20 30 CDEDHO CC#CCN1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225080369 941822293 /nfs/dbraw/zinc/82/22/93/941822293.db2.gz NBFQZZFRWYSGJF-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO CC#CCN1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080369 941822289 /nfs/dbraw/zinc/82/22/89/941822289.db2.gz NBFQZZFRWYSGJF-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227038844 942119464 /nfs/dbraw/zinc/11/94/64/942119464.db2.gz NMLSRAJGGBOFLC-RBSFLKMASA-N 1 3 281.444 1.920 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001227619079 942198134 /nfs/dbraw/zinc/19/81/34/942198134.db2.gz MXAGCCDQRGWTLY-HNNXBMFYSA-N 1 3 299.434 1.823 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001227628501 942199085 /nfs/dbraw/zinc/19/90/85/942199085.db2.gz BMCLSVCWGYODHL-AWEZNQCLSA-N 1 3 285.407 1.433 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001263109560 943750656 /nfs/dbraw/zinc/75/06/56/943750656.db2.gz AOPQFBIJQSAENX-ZNMIVQPWSA-N 1 3 279.428 1.518 20 30 CDEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CCN(CC)CC1 ZINC001246302781 948096425 /nfs/dbraw/zinc/09/64/25/948096425.db2.gz FRDFKBOFJNQEDA-HNNXBMFYSA-N 1 3 297.443 1.287 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253586501 951976411 /nfs/dbraw/zinc/97/64/11/951976411.db2.gz NVUVLGYTCAQXFJ-KURKYZTESA-N 1 3 286.419 1.987 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253586501 951976421 /nfs/dbraw/zinc/97/64/21/951976421.db2.gz NVUVLGYTCAQXFJ-KURKYZTESA-N 1 3 286.419 1.987 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001390710648 976448803 /nfs/dbraw/zinc/44/88/03/976448803.db2.gz GKCLMWJDUXACSK-CHWSQXEVSA-N 1 3 289.851 1.810 20 30 CDEDHO CC(C)[C@H]([NH3+])CCN(C)C[C@H](O)CC1(C#N)CC1 ZINC001575453558 1171176745 /nfs/dbraw/zinc/17/67/45/1171176745.db2.gz RQZWEQHMFFXIDF-CHWSQXEVSA-N 1 3 253.390 1.346 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000592313346 342684264 /nfs/dbraw/zinc/68/42/64/342684264.db2.gz DSTZYIKFOPVDLM-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000592313346 342684265 /nfs/dbraw/zinc/68/42/65/342684265.db2.gz DSTZYIKFOPVDLM-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO COC(=O)[C@H]1CN(CC2CCC(C#N)CC2)CC12C[NH2+]C2 ZINC001578795854 1172009920 /nfs/dbraw/zinc/00/99/20/1172009920.db2.gz DRDPWFGEZIRKOH-JXQTWKCFSA-N 1 3 291.395 1.011 20 30 CDEDHO N#Cc1ccc(CCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000595896100 343183365 /nfs/dbraw/zinc/18/33/65/343183365.db2.gz ZOLPZBRREKTRHX-KRWDZBQOSA-N 1 3 299.418 1.788 20 30 CDEDHO N#Cc1ccc(CC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000595896100 343183367 /nfs/dbraw/zinc/18/33/67/343183367.db2.gz ZOLPZBRREKTRHX-KRWDZBQOSA-N 1 3 299.418 1.788 20 30 CDEDHO N#Cc1ccc(CC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000595896100 343183368 /nfs/dbraw/zinc/18/33/68/343183368.db2.gz ZOLPZBRREKTRHX-KRWDZBQOSA-N 1 3 299.418 1.788 20 30 CDEDHO CN(C[C@H](O)CC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000598618400 343843752 /nfs/dbraw/zinc/84/37/52/343843752.db2.gz XPFFCPZAXHPBDC-IZGVIRRGSA-N 1 3 279.428 1.844 20 30 CDEDHO CN(C[C@H](O)CC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000598618400 343843755 /nfs/dbraw/zinc/84/37/55/343843755.db2.gz XPFFCPZAXHPBDC-IZGVIRRGSA-N 1 3 279.428 1.844 20 30 CDEDHO C=CCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000617618329 345879764 /nfs/dbraw/zinc/87/97/64/345879764.db2.gz LJPGKMJKDXMUOY-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO CN(C)C(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264129848 362974489 /nfs/dbraw/zinc/97/44/89/362974489.db2.gz XRHQUZGCBWAAMY-UHFFFAOYSA-N 1 3 280.441 1.836 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000580309343 365986041 /nfs/dbraw/zinc/98/60/41/365986041.db2.gz RGTKBQJGRFMNHR-VXGBXAGGSA-N 1 3 268.405 1.062 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)CC)CC1 ZINC000106335882 357243730 /nfs/dbraw/zinc/24/37/30/357243730.db2.gz LPTQTXARWKIJFQ-UHFFFAOYSA-N 1 3 282.432 1.278 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)CC)CC1 ZINC000106335882 357243731 /nfs/dbraw/zinc/24/37/31/357243731.db2.gz LPTQTXARWKIJFQ-UHFFFAOYSA-N 1 3 282.432 1.278 20 30 CDEDHO CC(C)[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349850526 360948895 /nfs/dbraw/zinc/94/88/95/360948895.db2.gz FPVRZWMYOVMXBE-MRXNPFEDSA-N 1 3 298.390 1.697 20 30 CDEDHO CC(C)[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349850526 360948900 /nfs/dbraw/zinc/94/89/00/360948900.db2.gz FPVRZWMYOVMXBE-MRXNPFEDSA-N 1 3 298.390 1.697 20 30 CDEDHO CN(C)CCOc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170911355 365160920 /nfs/dbraw/zinc/16/09/20/365160920.db2.gz LGASZIPNPNYVRG-UHFFFAOYSA-N 1 3 264.373 1.003 20 30 CDEDHO C=CCCOCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638811809 374984105 /nfs/dbraw/zinc/98/41/05/374984105.db2.gz JQWWEKMNLCKXQM-UHFFFAOYSA-N 1 3 270.417 1.404 20 30 CDEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000132338853 375503386 /nfs/dbraw/zinc/50/33/86/375503386.db2.gz HSGSZCIMELVRMW-LSDHHAIUSA-N 1 3 254.418 1.977 20 30 CDEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000132338853 375503391 /nfs/dbraw/zinc/50/33/91/375503391.db2.gz HSGSZCIMELVRMW-LSDHHAIUSA-N 1 3 254.418 1.977 20 30 CDEDHO C=CCN(CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420323345 376340096 /nfs/dbraw/zinc/34/00/96/376340096.db2.gz SXBCDDKMIUEPIK-UHFFFAOYSA-N 1 3 259.397 1.580 20 30 CDEDHO C[NH+]=C(NCc1ccoc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000263126683 391106069 /nfs/dbraw/zinc/10/60/69/391106069.db2.gz FRYHJPNKBMCASN-OAHLLOKOSA-N 1 3 290.411 1.915 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000285806907 391720796 /nfs/dbraw/zinc/72/07/96/391720796.db2.gz QYFFMOSQXPQFKJ-KBPBESRZSA-N 1 3 267.417 1.396 20 30 CDEDHO Cn1cc(CNCC[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000459796049 392506590 /nfs/dbraw/zinc/50/65/90/392506590.db2.gz VZIMCBPUXXOJAC-CYBMUJFWSA-N 1 3 260.385 1.718 20 30 CDEDHO Cn1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000459796049 392506598 /nfs/dbraw/zinc/50/65/98/392506598.db2.gz VZIMCBPUXXOJAC-CYBMUJFWSA-N 1 3 260.385 1.718 20 30 CDEDHO C[C@H](CC[NH+](C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349872111 226879856 /nfs/dbraw/zinc/87/98/56/226879856.db2.gz BSFUDULTYFUZDI-CZUORRHYSA-N 1 3 298.390 1.697 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001666804402 1173185947 /nfs/dbraw/zinc/18/59/47/1173185947.db2.gz GIVFXAJNUZEBLQ-CQSZACIVSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCN1CC[C@H](N(C)C[C@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC000414756360 263039416 /nfs/dbraw/zinc/03/94/16/263039416.db2.gz QOKZRWFEEKIQMY-IHRRRGAJSA-N 1 3 265.401 1.093 20 30 CDEDHO C[NH+](C)CCOCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353597686 276792283 /nfs/dbraw/zinc/79/22/83/276792283.db2.gz QUPFOAZOZFGWLG-MRXNPFEDSA-N 1 3 273.380 1.713 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC(C)(C)N2CCC[C@H](C)C2)N1 ZINC000262648905 330024508 /nfs/dbraw/zinc/02/45/08/330024508.db2.gz JZMNFELCVVFBKU-RYUDHWBXSA-N 1 3 252.406 1.434 20 30 CDEDHO [NH2+]=C(NC[C@@H]1CCCN1C1CCCCC1)N1CCOCC1 ZINC000262836024 330034843 /nfs/dbraw/zinc/03/48/43/330034843.db2.gz SKQOHODHUOONPR-HNNXBMFYSA-N 1 3 294.443 1.430 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000424125631 330258721 /nfs/dbraw/zinc/25/87/21/330258721.db2.gz ALDICFSKARGKKG-HNNXBMFYSA-N 1 3 292.427 1.484 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)C[NH+]1CCCCC1 ZINC000424126449 330259094 /nfs/dbraw/zinc/25/90/94/330259094.db2.gz BTFRJHWZROWLET-KGLIPLIRSA-N 1 3 280.416 1.246 20 30 CDEDHO C[N@H+](CCCNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424133862 330266444 /nfs/dbraw/zinc/26/64/44/330266444.db2.gz MVEOZKDHJFLOAF-HNNXBMFYSA-N 1 3 294.443 1.778 20 30 CDEDHO C[N@@H+](CCCNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424133862 330266445 /nfs/dbraw/zinc/26/64/45/330266445.db2.gz MVEOZKDHJFLOAF-HNNXBMFYSA-N 1 3 294.443 1.778 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000424136143 330272394 /nfs/dbraw/zinc/27/23/94/330272394.db2.gz ABSBAEZMJAMRQW-LSDHHAIUSA-N 1 3 292.427 1.484 20 30 CDEDHO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459580239 331289174 /nfs/dbraw/zinc/28/91/74/331289174.db2.gz OPBJGWYJKGDWSK-CVEARBPZSA-N 1 3 273.380 1.984 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCC)CC1 ZINC000491404982 332205798 /nfs/dbraw/zinc/20/57/98/332205798.db2.gz GANGAYBYUBKZTA-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCC)CC1 ZINC000491404982 332205800 /nfs/dbraw/zinc/20/58/00/332205800.db2.gz GANGAYBYUBKZTA-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(C)CN(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001753862871 1185369887 /nfs/dbraw/zinc/36/98/87/1185369887.db2.gz TZKJEUYKIPMQDR-UHFFFAOYSA-N 1 3 267.417 1.295 20 30 CDEDHO C=C(CN(C)C)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000764423016 575906303 /nfs/dbraw/zinc/90/63/03/575906303.db2.gz HKWBTQDKTIHEJT-UHFFFAOYSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000764437295 575907103 /nfs/dbraw/zinc/90/71/03/575907103.db2.gz KKCZIJGFKCBRPJ-UMVBOHGHSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000763987741 576771374 /nfs/dbraw/zinc/77/13/74/576771374.db2.gz OGQNEIYUIFEKGQ-MRXNPFEDSA-N 1 3 287.407 1.495 20 30 CDEDHO C=C(CN(C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000764214605 576786188 /nfs/dbraw/zinc/78/61/88/576786188.db2.gz CXHBVPKPPDVMHK-UHFFFAOYSA-N 1 3 275.396 1.482 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050973 612996026 /nfs/dbraw/zinc/99/60/26/612996026.db2.gz POSVHWBAMSEGPI-AWEZNQCLSA-N 1 3 289.423 1.075 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610961 613283744 /nfs/dbraw/zinc/28/37/44/613283744.db2.gz XVXYIWYIUDVKLX-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610961 613283745 /nfs/dbraw/zinc/28/37/45/613283745.db2.gz XVXYIWYIUDVKLX-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974605722 613341810 /nfs/dbraw/zinc/34/18/10/613341810.db2.gz NHZISYHTVZLOAM-KFWWJZLASA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974605722 613341811 /nfs/dbraw/zinc/34/18/11/613341811.db2.gz NHZISYHTVZLOAM-KFWWJZLASA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485047 613347454 /nfs/dbraw/zinc/34/74/54/613347454.db2.gz FYXLZLGENMNESA-ZIAGYGMSSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610886 613612109 /nfs/dbraw/zinc/61/21/09/613612109.db2.gz WALCGHBJIWTHMZ-OAHLLOKOSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610886 613612111 /nfs/dbraw/zinc/61/21/11/613612111.db2.gz WALCGHBJIWTHMZ-OAHLLOKOSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000981666417 613679354 /nfs/dbraw/zinc/67/93/54/613679354.db2.gz RUECSOICLFWMFK-AWEZNQCLSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000981666417 613679356 /nfs/dbraw/zinc/67/93/56/613679356.db2.gz RUECSOICLFWMFK-AWEZNQCLSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959877293 613837160 /nfs/dbraw/zinc/83/71/60/613837160.db2.gz SUKRKDAYGSOSBO-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959877293 613837162 /nfs/dbraw/zinc/83/71/62/613837162.db2.gz SUKRKDAYGSOSBO-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960287404 613837773 /nfs/dbraw/zinc/83/77/73/613837773.db2.gz HBECFSZZWANQDK-LJIGWXMPSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960287404 613837774 /nfs/dbraw/zinc/83/77/74/613837774.db2.gz HBECFSZZWANQDK-LJIGWXMPSA-N 1 3 291.439 1.482 20 30 CDEDHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000925607991 617550229 /nfs/dbraw/zinc/55/02/29/617550229.db2.gz DXTYJLOECNWXJT-BBRMVZONSA-N 1 3 299.422 1.652 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906594336 627344113 /nfs/dbraw/zinc/34/41/13/627344113.db2.gz YCEFYIGRQFPNRP-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906594336 627344121 /nfs/dbraw/zinc/34/41/21/627344121.db2.gz YCEFYIGRQFPNRP-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345939 1163648101 /nfs/dbraw/zinc/64/81/01/1163648101.db2.gz IITZCZJDWZICRK-HOTGVXAUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706099 1164169787 /nfs/dbraw/zinc/16/97/87/1164169787.db2.gz OXCPGBJPLQXHIR-KBPBESRZSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001734304283 1183721858 /nfs/dbraw/zinc/72/18/58/1183721858.db2.gz GMDCVEULZYXOHH-HZPDHXFCSA-N 1 3 293.455 1.423 20 30 CDEDHO CC#CCN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752587960 1184879893 /nfs/dbraw/zinc/87/98/93/1184879893.db2.gz TVAYLVGMJGVFEJ-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001752587960 1184879894 /nfs/dbraw/zinc/87/98/94/1184879894.db2.gz TVAYLVGMJGVFEJ-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001754846849 1185745317 /nfs/dbraw/zinc/74/53/17/1185745317.db2.gz XHWVCIRTCITOTP-IYBDPMFKSA-N 1 3 291.439 1.132 20 30 CDEDHO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001754918649 1185763254 /nfs/dbraw/zinc/76/32/54/1185763254.db2.gz HQZITUWUDXUXIR-GJZGRUSLSA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001755079684 1185807629 /nfs/dbraw/zinc/80/76/29/1185807629.db2.gz ORQMRJVQTCHXQT-QGZVFWFLSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001755391341 1185939729 /nfs/dbraw/zinc/93/97/29/1185939729.db2.gz JENOXHRIZAUGRT-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN[C@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001755615314 1186012685 /nfs/dbraw/zinc/01/26/85/1186012685.db2.gz WRWQAZCSURTCLY-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001755712920 1186043774 /nfs/dbraw/zinc/04/37/74/1186043774.db2.gz RVJAFPAFHKDBTO-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001755734755 1186052655 /nfs/dbraw/zinc/05/26/55/1186052655.db2.gz DWBNWQSLSSVPJD-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001755857591 1186092612 /nfs/dbraw/zinc/09/26/12/1186092612.db2.gz UEAQDLRXMQVWTB-NRXISQOPSA-N 1 3 281.444 1.728 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846178 1163930827 /nfs/dbraw/zinc/93/08/27/1163930827.db2.gz VLJKSHYBZVDXJZ-KBPBESRZSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133849604 1163933548 /nfs/dbraw/zinc/93/35/48/1163933548.db2.gz AKTZBBBUCMYZEP-CQSZACIVSA-N 1 3 271.380 1.091 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133893305 1163952033 /nfs/dbraw/zinc/95/20/33/1163952033.db2.gz BRKAGWLOTFDASS-UHFFFAOYSA-N 1 3 253.390 1.000 20 30 CDEDHO CC(C)N(CCNC(=[NH2+])N1CCSCC1)C(C)C ZINC000303712646 726354946 /nfs/dbraw/zinc/35/49/46/726354946.db2.gz QAPGOHDCTIHJAW-UHFFFAOYSA-N 1 3 272.462 1.469 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001002146277 726044239 /nfs/dbraw/zinc/04/42/39/726044239.db2.gz ZBWUFPMWPDZABO-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000303896208 726053964 /nfs/dbraw/zinc/05/39/64/726053964.db2.gz PVEQIJYYJYEUCZ-AVGNSLFASA-N 1 3 270.421 1.189 20 30 CDEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)NC1CC1 ZINC000848982276 726150540 /nfs/dbraw/zinc/15/05/40/726150540.db2.gz XORWEQKQGFOYLZ-UHFFFAOYSA-N 1 3 266.433 1.968 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832430 726174422 /nfs/dbraw/zinc/17/44/22/726174422.db2.gz JHSKWDAJCPAPKQ-HNNXBMFYSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001072832430 726174423 /nfs/dbraw/zinc/17/44/23/726174423.db2.gz JHSKWDAJCPAPKQ-HNNXBMFYSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022720802 726338687 /nfs/dbraw/zinc/33/86/87/726338687.db2.gz STNRVBHVSWWEOH-FOUMNBMASA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022720802 726338691 /nfs/dbraw/zinc/33/86/91/726338691.db2.gz STNRVBHVSWWEOH-FOUMNBMASA-N 1 3 285.819 1.173 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001006183209 726393347 /nfs/dbraw/zinc/39/33/47/726393347.db2.gz HQSXXHMLANNLSH-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044745788 726408596 /nfs/dbraw/zinc/40/85/96/726408596.db2.gz ZUZIZURRKXHROU-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987055386 726858875 /nfs/dbraw/zinc/85/88/75/726858875.db2.gz BTCUTLDEPBGOGN-WCQYABFASA-N 1 3 262.357 1.107 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875540 726918410 /nfs/dbraw/zinc/91/84/10/726918410.db2.gz BOLUOQRHIWFRLI-XHSDSOJGSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875540 726918414 /nfs/dbraw/zinc/91/84/14/726918414.db2.gz BOLUOQRHIWFRLI-XHSDSOJGSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CCC[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132544 726991679 /nfs/dbraw/zinc/99/16/79/726991679.db2.gz IBYHBPCQGVOJEO-HOCLYGCPSA-N 1 3 275.396 1.919 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003627146 727035940 /nfs/dbraw/zinc/03/59/40/727035940.db2.gz DGDJILAYBFSEFF-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001036193091 727248274 /nfs/dbraw/zinc/24/82/74/727248274.db2.gz KLRAGGHJSOUUGI-JSGCOSHPSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072811772 727336083 /nfs/dbraw/zinc/33/60/83/727336083.db2.gz GKWLZXLZJRADLM-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001072811772 727336086 /nfs/dbraw/zinc/33/60/86/727336086.db2.gz 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C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611801 728124553 /nfs/dbraw/zinc/12/45/53/728124553.db2.gz PQOVHIVRXUHALF-HRCADAONSA-N 1 3 293.455 1.824 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC000995952668 728208593 /nfs/dbraw/zinc/20/85/93/728208593.db2.gz RUFHBCOHDZRKAY-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026148636 728283915 /nfs/dbraw/zinc/28/39/15/728283915.db2.gz VSCVEDIKTWQANJ-LRDNVRMFSA-N 1 3 277.412 1.092 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001026148636 728283919 /nfs/dbraw/zinc/28/39/19/728283919.db2.gz VSCVEDIKTWQANJ-LRDNVRMFSA-N 1 3 277.412 1.092 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001020213964 728293583 /nfs/dbraw/zinc/29/35/83/728293583.db2.gz BTPDQZITEJBCEU-MGPQQGTHSA-N 1 3 299.846 1.850 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001020213964 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/nfs/dbraw/zinc/20/69/10/926206910.db2.gz PYQCLYZQGFSVFC-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CCCO1 ZINC001201930508 926424318 /nfs/dbraw/zinc/42/43/18/926424318.db2.gz CESWYVNFAIMGCG-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C(C)C)CC1 ZINC001085986363 926567314 /nfs/dbraw/zinc/56/73/14/926567314.db2.gz BITZXTBUXDEUPI-INIZCTEOSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C(C)C)CC1 ZINC001085986363 926567319 /nfs/dbraw/zinc/56/73/19/926567319.db2.gz BITZXTBUXDEUPI-INIZCTEOSA-N 1 3 291.439 1.273 20 30 CDEDHO C=C(Cl)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490701360 927310498 /nfs/dbraw/zinc/31/04/98/927310498.db2.gz QRYFCGDKPCVUPR-CQSZACIVSA-N 1 3 299.846 1.565 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001568468614 1169301847 /nfs/dbraw/zinc/30/18/47/1169301847.db2.gz LANJZQIDSBOXSM-HUUCEWRRSA-N 1 3 283.460 1.879 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583438 929797577 /nfs/dbraw/zinc/79/75/77/929797577.db2.gz KJTJPHCJPZKYPN-UONOGXRCSA-N 1 3 281.444 1.920 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCCC1 ZINC001115574666 937396095 /nfs/dbraw/zinc/39/60/95/937396095.db2.gz JZBMYSQGTATYRT-UHFFFAOYSA-N 1 3 291.439 1.513 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135976781 930587643 /nfs/dbraw/zinc/58/76/43/930587643.db2.gz NQADSGCXBHFJFK-STQMWFEESA-N 1 3 255.406 1.387 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036871 930615023 /nfs/dbraw/zinc/61/50/23/930615023.db2.gz ZKEFXBUFJSSRIM-RYUDHWBXSA-N 1 3 278.400 1.710 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001091026052 931732469 /nfs/dbraw/zinc/73/24/69/931732469.db2.gz FXBUIVHSQPMDFH-NRXISQOPSA-N 1 3 279.428 1.530 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148462635 932711045 /nfs/dbraw/zinc/71/10/45/932711045.db2.gz JNAYCHZFARMIPR-UHFFFAOYSA-N 1 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PNXAZKOPTBJTOA-CYBMUJFWSA-N 1 3 255.406 1.517 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029146 938576140 /nfs/dbraw/zinc/57/61/40/938576140.db2.gz DASFZNYATUWKSF-KBPBESRZSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029146 938576141 /nfs/dbraw/zinc/57/61/41/938576141.db2.gz DASFZNYATUWKSF-KBPBESRZSA-N 1 3 299.846 1.709 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001203762339 939703049 /nfs/dbraw/zinc/70/30/49/939703049.db2.gz OKFCSABNYJCLHX-ZWKOTPCHSA-N 1 3 298.434 1.768 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001203762339 939703050 /nfs/dbraw/zinc/70/30/50/939703050.db2.gz OKFCSABNYJCLHX-ZWKOTPCHSA-N 1 3 298.434 1.768 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469595 939891969 /nfs/dbraw/zinc/89/19/69/939891969.db2.gz NTDGFFQPSMHGLP-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C[C@H]1CCN(Cc2cncc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205625944 939910361 /nfs/dbraw/zinc/91/03/61/939910361.db2.gz CRXBVEDDGIXMEI-WFASDCNBSA-N 1 3 258.369 1.760 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341361 940322327 /nfs/dbraw/zinc/32/23/27/940322327.db2.gz ZRUWNBGANWFPRR-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844529 940968617 /nfs/dbraw/zinc/96/86/17/940968617.db2.gz DMENFZDZPWYCIY-OAGGEKHMSA-N 1 3 291.439 1.321 20 30 CDEDHO N#CCc1cccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218987875 941298076 /nfs/dbraw/zinc/29/80/76/941298076.db2.gz OKLPBIDKQNHHAM-AWEZNQCLSA-N 1 3 272.352 1.018 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221656948 941545356 /nfs/dbraw/zinc/54/53/56/941545356.db2.gz BISHXLDRHZPIFZ-HUUCEWRRSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221656948 941545359 /nfs/dbraw/zinc/54/53/59/941545359.db2.gz BISHXLDRHZPIFZ-HUUCEWRRSA-N 1 3 293.455 1.826 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224536659 941766913 /nfs/dbraw/zinc/76/69/13/941766913.db2.gz MOUJVCFLDJUTED-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226801474 942074379 /nfs/dbraw/zinc/07/43/79/942074379.db2.gz YIKQGTSNHXBSKY-BZUAXINKSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC001263105770 943747733 /nfs/dbraw/zinc/74/77/33/943747733.db2.gz XSVVGQSBIAFUNH-LBPRGKRZSA-N 1 3 253.390 1.176 20 30 CDEDHO [NH3+][C@H](Cc1ccccc1)CN1CCC2SC(=O)C=C2C1 ZINC001235468784 944166006 /nfs/dbraw/zinc/16/60/06/944166006.db2.gz SVKSZSKPXGKRJC-CABCVRRESA-N 1 3 288.416 1.831 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001277979695 944423657 /nfs/dbraw/zinc/42/36/57/944423657.db2.gz ACPUFFGQVXQKJY-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO CN(C)CC#CC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001262566529 946717936 /nfs/dbraw/zinc/71/79/36/946717936.db2.gz SHGAICBACASGOI-IBGZPJMESA-N 1 3 296.414 1.898 20 30 CDEDHO C[N@@H+]1CCC[C@H](NC(=N)c2ccc(Cl)cn2)CC1 ZINC001254502842 947461526 /nfs/dbraw/zinc/46/15/26/947461526.db2.gz IGQJWJRDZYCLQA-NSHDSACASA-N 1 3 266.776 1.925 20 30 CDEDHO C[N@H+]1CCC[C@H](NC(=N)c2ccc(Cl)cn2)CC1 ZINC001254502842 947461536 /nfs/dbraw/zinc/46/15/36/947461536.db2.gz IGQJWJRDZYCLQA-NSHDSACASA-N 1 3 266.776 1.925 20 30 CDEDHO C=CCN1CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255680377 948070914 /nfs/dbraw/zinc/07/09/14/948070914.db2.gz QQRMBOWVDXUUAV-XYPWUTKMSA-N 1 3 263.429 1.805 20 30 CDEDHO C=CCOC(=O)N1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246466133 948188845 /nfs/dbraw/zinc/18/88/45/948188845.db2.gz MNVHSDFILYNLID-UHFFFAOYSA-N 1 3 281.400 1.363 20 30 CDEDHO C=CCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256861198 948436986 /nfs/dbraw/zinc/43/69/86/948436986.db2.gz RJNIWRWUFUSKLN-UHFFFAOYSA-N 1 3 286.423 1.854 20 30 CDEDHO C#CC[C@H](CCOC)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001335330184 959719779 /nfs/dbraw/zinc/71/97/79/959719779.db2.gz RFAKCOMJMYBLSR-KFWWJZLASA-N 1 3 250.386 1.631 20 30 CDEDHO C#CC[C@H](CCOC)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001335330184 959719793 /nfs/dbraw/zinc/71/97/93/959719793.db2.gz RFAKCOMJMYBLSR-KFWWJZLASA-N 1 3 250.386 1.631 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340351156 962902068 /nfs/dbraw/zinc/90/20/68/962902068.db2.gz NHMCEYCKFKSOOL-KBPBESRZSA-N 1 3 267.417 1.613 20 30 CDEDHO C#CCNCC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001521470608 970301650 /nfs/dbraw/zinc/30/16/50/970301650.db2.gz RPUBZOZLVNYETO-AWEZNQCLSA-N 1 3 289.379 1.064 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132931483 1163512143 /nfs/dbraw/zinc/51/21/43/1163512143.db2.gz AFXNMKXGAKUVTP-GJZGRUSLSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574908415 1171046184 /nfs/dbraw/zinc/04/61/84/1171046184.db2.gz MXFSPYKAVMKNDT-HUUCEWRRSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001574908415 1171046191 /nfs/dbraw/zinc/04/61/91/1171046191.db2.gz MXFSPYKAVMKNDT-HUUCEWRRSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001574908415 1171046199 /nfs/dbraw/zinc/04/61/99/1171046199.db2.gz MXFSPYKAVMKNDT-HUUCEWRRSA-N 1 3 279.428 1.803 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946073 343205636 /nfs/dbraw/zinc/20/56/36/343205636.db2.gz QKPITFHWIBFMFB-ZFWWWQNUSA-N 1 3 292.427 1.531 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595946073 343205638 /nfs/dbraw/zinc/20/56/38/343205638.db2.gz QKPITFHWIBFMFB-ZFWWWQNUSA-N 1 3 292.427 1.531 20 30 CDEDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(C#N)cc1 ZINC000596651446 343371133 /nfs/dbraw/zinc/37/11/33/343371133.db2.gz QFACYPZKYDDUQH-APHBMKBZSA-N 1 3 273.380 1.443 20 30 CDEDHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651446 343371136 /nfs/dbraw/zinc/37/11/36/343371136.db2.gz QFACYPZKYDDUQH-APHBMKBZSA-N 1 3 273.380 1.443 20 30 CDEDHO CC(C)C[NH+]1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598721325 343883786 /nfs/dbraw/zinc/88/37/86/343883786.db2.gz VDTNQSIOHOSSGO-OAHLLOKOSA-N 1 3 281.444 1.997 20 30 CDEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)CN1CCCC1 ZINC000611391503 346776001 /nfs/dbraw/zinc/77/60/01/346776001.db2.gz JAZDEWDHJXCZMD-AEFFLSMTSA-N 1 3 299.418 1.982 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779903 358884076 /nfs/dbraw/zinc/88/40/76/358884076.db2.gz MCIVSYTVZWHKMA-RNJOBUHISA-N 1 3 251.374 1.629 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779903 358884078 /nfs/dbraw/zinc/88/40/78/358884078.db2.gz MCIVSYTVZWHKMA-RNJOBUHISA-N 1 3 251.374 1.629 20 30 CDEDHO C=CCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102344485 364372945 /nfs/dbraw/zinc/37/29/45/364372945.db2.gz ZJPNLSFWSUJPAK-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237749993 376006629 /nfs/dbraw/zinc/00/66/29/376006629.db2.gz OQLFXQAWOTUTLV-HNNXBMFYSA-N 1 3 265.401 1.143 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417527871 377840607 /nfs/dbraw/zinc/84/06/07/377840607.db2.gz OAFIPRXIMXURIN-UKRRQHHQSA-N 1 3 294.443 1.406 20 30 CDEDHO C#Cc1ccc(CNC2CC[NH+](CCOC)CC2)cc1 ZINC000289349794 197306725 /nfs/dbraw/zinc/30/67/25/197306725.db2.gz XGTXTOPMVHNRRD-UHFFFAOYSA-N 1 3 272.392 1.868 20 30 CDEDHO CN1CCN(CCCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000531356162 390629226 /nfs/dbraw/zinc/62/92/26/390629226.db2.gz LLWZRJHYFOIGSK-UHFFFAOYSA-N 1 3 292.452 1.737 20 30 CDEDHO CC(C#N)C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352437825 391137759 /nfs/dbraw/zinc/13/77/59/391137759.db2.gz ICNHDPQWJWPUJV-FVQBIDKESA-N 1 3 283.375 1.736 20 30 CDEDHO CCc1cnc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)s1 ZINC000267421349 391193547 /nfs/dbraw/zinc/19/35/47/391193547.db2.gz KSUBJQLCWHKLII-NSHDSACASA-N 1 3 295.456 1.594 20 30 CDEDHO CN(C)CCOc1ccc(CCNC2=[NH+]CCN2C)cc1 ZINC000262676735 391810998 /nfs/dbraw/zinc/81/09/98/391810998.db2.gz UHUNSXNJQOPZHZ-UHFFFAOYSA-N 1 3 290.411 1.061 20 30 CDEDHO C=CCC1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC000656792493 413672457 /nfs/dbraw/zinc/67/24/57/413672457.db2.gz RLPBIQVBEXOBEA-CQSZACIVSA-N 1 3 279.428 1.662 20 30 CDEDHO CC(C#N)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347479249 226178627 /nfs/dbraw/zinc/17/86/27/226178627.db2.gz KEDWLZNGKYCGRI-LBPRGKRZSA-N 1 3 251.374 1.726 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312904051 260220038 /nfs/dbraw/zinc/22/00/38/260220038.db2.gz ZBZDJMYWTISXSE-GASCZTMLSA-N 1 3 277.412 1.118 20 30 CDEDHO C=CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414692201 263032878 /nfs/dbraw/zinc/03/28/78/263032878.db2.gz KIUKGLJXQCDSCS-CQSZACIVSA-N 1 3 265.401 1.082 20 30 CDEDHO CC[NH+](CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279845009 263057707 /nfs/dbraw/zinc/05/77/07/263057707.db2.gz GCUSSVLHLBUBJK-INIZCTEOSA-N 1 3 298.390 1.699 20 30 CDEDHO CN(Cc1cnc2c(C#N)cnn2c1)CC1CC[NH+](C)CC1 ZINC000521044934 267321296 /nfs/dbraw/zinc/32/12/96/267321296.db2.gz CNQWILKRRHRWKC-UHFFFAOYSA-N 1 3 298.394 1.375 20 30 CDEDHO C[N@@H+]1CCC[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000520230291 267336537 /nfs/dbraw/zinc/33/65/37/267336537.db2.gz JZKMRUDJPFQVIT-ZDUSSCGKSA-N 1 3 298.394 1.422 20 30 CDEDHO C[N@H+]1CCC[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000520230291 267336541 /nfs/dbraw/zinc/33/65/41/267336541.db2.gz JZKMRUDJPFQVIT-ZDUSSCGKSA-N 1 3 298.394 1.422 20 30 CDEDHO C[C@@H]1CN(CCC(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345952303 288155571 /nfs/dbraw/zinc/15/55/71/288155571.db2.gz NEHNRLAXSGTHED-HZPDHXFCSA-N 1 3 292.471 1.884 20 30 CDEDHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754326021 1159130088 /nfs/dbraw/zinc/13/00/88/1159130088.db2.gz BFQPPEUSCHEDBV-CVEARBPZSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754326021 1159130092 /nfs/dbraw/zinc/13/00/92/1159130092.db2.gz BFQPPEUSCHEDBV-CVEARBPZSA-N 1 3 293.455 1.709 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000582655485 329125390 /nfs/dbraw/zinc/12/53/90/329125390.db2.gz NKHDVUPUYFDUSQ-AWEZNQCLSA-N 1 3 294.443 1.326 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)C(C)C ZINC000269250459 330068064 /nfs/dbraw/zinc/06/80/64/330068064.db2.gz XYTQWBKDMAXAGH-CABCVRRESA-N 1 3 281.444 1.657 20 30 CDEDHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424134342 330266547 /nfs/dbraw/zinc/26/65/47/330266547.db2.gz NJSJEBWGQOPYOF-STQMWFEESA-N 1 3 268.405 1.100 20 30 CDEDHO C[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145725 330291456 /nfs/dbraw/zinc/29/14/56/330291456.db2.gz OILXAGLXCCSZIS-NWDGAFQWSA-N 1 3 268.405 1.100 20 30 CDEDHO C[NH+](C)CC[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000424147556 330293872 /nfs/dbraw/zinc/29/38/72/330293872.db2.gz ROVCHRFMKNVQAW-OLZOCXBDSA-N 1 3 282.432 1.490 20 30 CDEDHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424160407 330306351 /nfs/dbraw/zinc/30/63/51/330306351.db2.gz AUTDLGRQTNMXLG-CYBMUJFWSA-N 1 3 260.341 1.366 20 30 CDEDHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424191264 330323417 /nfs/dbraw/zinc/32/34/17/330323417.db2.gz HCEDZXGDKHBGCJ-KGLIPLIRSA-N 1 3 292.427 1.244 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000491264058 332176236 /nfs/dbraw/zinc/17/62/36/332176236.db2.gz DRXDNOKGZAIVQM-OAHLLOKOSA-N 1 3 294.443 1.066 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000491264058 332176238 /nfs/dbraw/zinc/17/62/38/332176238.db2.gz DRXDNOKGZAIVQM-OAHLLOKOSA-N 1 3 294.443 1.066 20 30 CDEDHO C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001753726265 1185317769 /nfs/dbraw/zinc/31/77/69/1185317769.db2.gz IIEFDDXMDDHXOL-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754336411 1185586111 /nfs/dbraw/zinc/58/61/11/1185586111.db2.gz LJAULQRYCMLALN-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275466 1162146240 /nfs/dbraw/zinc/14/62/40/1162146240.db2.gz NSIJQQGTPMAYCO-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969705724 612994446 /nfs/dbraw/zinc/99/44/46/612994446.db2.gz BEOFYPKYOZISHZ-VNQPRFMTSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969705724 612994447 /nfs/dbraw/zinc/99/44/47/612994447.db2.gz BEOFYPKYOZISHZ-VNQPRFMTSA-N 1 3 291.439 1.177 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330428 613288832 /nfs/dbraw/zinc/28/88/32/613288832.db2.gz GFTGDJVPWQQUHL-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330428 613288833 /nfs/dbraw/zinc/28/88/33/613288833.db2.gz GFTGDJVPWQQUHL-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000961560417 613838977 /nfs/dbraw/zinc/83/89/77/613838977.db2.gz SLXUVKBMTIASME-WCVJEAGWSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961560417 613838978 /nfs/dbraw/zinc/83/89/78/613838978.db2.gz SLXUVKBMTIASME-WCVJEAGWSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485111 613872823 /nfs/dbraw/zinc/87/28/23/613872823.db2.gz GUSUXMPBJHDKOG-STQMWFEESA-N 1 3 276.384 1.464 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891521564 617458373 /nfs/dbraw/zinc/45/83/73/617458373.db2.gz ZDJMETQMWNOCBW-JOCQHMNTSA-N 1 3 280.416 1.063 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000891521857 617458770 /nfs/dbraw/zinc/45/87/70/617458770.db2.gz LNPSAQFOJKTNLK-UHFFFAOYSA-N 1 3 294.443 1.550 20 30 CDEDHO C#CCOCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925743 617726745 /nfs/dbraw/zinc/72/67/45/617726745.db2.gz AAFHMMSLGVFHFB-CABCVRRESA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925743 617726750 /nfs/dbraw/zinc/72/67/50/617726750.db2.gz AAFHMMSLGVFHFB-CABCVRRESA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000851925743 617726753 /nfs/dbraw/zinc/72/67/53/617726753.db2.gz AAFHMMSLGVFHFB-CABCVRRESA-N 1 3 264.413 1.879 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000911651157 629396707 /nfs/dbraw/zinc/39/67/07/629396707.db2.gz BQDWNGWUFVZZRU-GFCCVEGCSA-N 1 3 253.390 1.448 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911760443 629505263 /nfs/dbraw/zinc/50/52/63/629505263.db2.gz BUYCGOLVFPJUQS-CQSZACIVSA-N 1 3 277.368 1.646 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133191661 1163602457 /nfs/dbraw/zinc/60/24/57/1163602457.db2.gz RFBUUDYBFCSMSC-GJZGRUSLSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001753139132 1185080955 /nfs/dbraw/zinc/08/09/55/1185080955.db2.gz USBPSTLDRDJPIU-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001753139132 1185080961 /nfs/dbraw/zinc/08/09/61/1185080961.db2.gz USBPSTLDRDJPIU-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001753582660 1185258293 /nfs/dbraw/zinc/25/82/93/1185258293.db2.gz TVLHKRJDXBJMOH-SHTZXODSSA-N 1 3 291.439 1.511 20 30 CDEDHO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001753632177 1185277296 /nfs/dbraw/zinc/27/72/96/1185277296.db2.gz ITCJKGVNICDUKB-GJZGRUSLSA-N 1 3 279.428 1.226 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024926 1185789497 /nfs/dbraw/zinc/78/94/97/1185789497.db2.gz LLIRYCZVXSFOHR-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755024926 1185789501 /nfs/dbraw/zinc/78/95/01/1185789501.db2.gz LLIRYCZVXSFOHR-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001755526188 1185979704 /nfs/dbraw/zinc/97/97/04/1185979704.db2.gz BWCXLLJHHWIFPU-HZPDHXFCSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015596505 728799632 /nfs/dbraw/zinc/79/96/32/728799632.db2.gz CDICVVOGGYRHTL-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015596505 728799637 /nfs/dbraw/zinc/79/96/37/728799637.db2.gz CDICVVOGGYRHTL-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759109 728818857 /nfs/dbraw/zinc/81/88/57/728818857.db2.gz CUBMKUKWRRWZJG-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001052956569 728501403 /nfs/dbraw/zinc/50/14/03/728501403.db2.gz VAOHHTOVLYXBKP-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001052956569 728501406 /nfs/dbraw/zinc/50/14/06/728501406.db2.gz VAOHHTOVLYXBKP-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000848719375 728575610 /nfs/dbraw/zinc/57/56/10/728575610.db2.gz CNSLWBDOZSRARH-UONOGXRCSA-N 1 3 259.353 1.926 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023130530 728971984 /nfs/dbraw/zinc/97/19/84/728971984.db2.gz SNLZLTYXIYXEMI-MJBXVCDLSA-N 1 3 265.401 1.284 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000848302762 728983718 /nfs/dbraw/zinc/98/37/18/728983718.db2.gz OHMVOBMGQYJFHY-UHFFFAOYSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001040744989 729494235 /nfs/dbraw/zinc/49/42/35/729494235.db2.gz GDRAZMTZTAQJND-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762607 729558135 /nfs/dbraw/zinc/55/81/35/729558135.db2.gz VAWODYODYMYWHI-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001001592041 729588766 /nfs/dbraw/zinc/58/87/66/729588766.db2.gz TWWXJMOETKSLMM-UHFFFAOYSA-N 1 3 289.423 1.076 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343542 729613308 /nfs/dbraw/zinc/61/33/08/729613308.db2.gz OXANYOCSUMMDOI-UHFFFAOYSA-N 1 3 299.846 1.660 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304706547 729841236 /nfs/dbraw/zinc/84/12/36/729841236.db2.gz KWYPKWOCVBODFK-QWHCGFSZSA-N 1 3 284.448 1.436 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000322230 729854180 /nfs/dbraw/zinc/85/41/80/729854180.db2.gz WCBILIJOAXTQGU-LBPRGKRZSA-N 1 3 262.357 1.109 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000303263643 729882125 /nfs/dbraw/zinc/88/21/25/729882125.db2.gz RGNBVSWXWBRPNA-AVGNSLFASA-N 1 3 254.422 1.810 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713258 729893980 /nfs/dbraw/zinc/89/39/80/729893980.db2.gz UJZFEWPVIMUGSS-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713258 729893983 /nfs/dbraw/zinc/89/39/83/729893983.db2.gz UJZFEWPVIMUGSS-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CCC[C@H](C)C1 ZINC000261979811 730321680 /nfs/dbraw/zinc/32/16/80/730321680.db2.gz HLTJWPHRXNQYNB-NWDGAFQWSA-N 1 3 254.422 1.810 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175265549 913519350 /nfs/dbraw/zinc/51/93/50/913519350.db2.gz ZTAGETQZKCKQQH-HOTGVXAUSA-N 1 3 293.455 1.616 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022720817 896816189 /nfs/dbraw/zinc/81/61/89/896816189.db2.gz STNRVBHVSWWEOH-SYEHKZFSSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022720817 896816201 /nfs/dbraw/zinc/81/62/01/896816201.db2.gz STNRVBHVSWWEOH-SYEHKZFSSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001022880065 897094636 /nfs/dbraw/zinc/09/46/36/897094636.db2.gz DPFNNESZERIIBO-OKILXGFUSA-N 1 3 299.846 1.708 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001267620090 899032272 /nfs/dbraw/zinc/03/22/72/899032272.db2.gz SMGVRAZPWLLPEI-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001088326707 906904799 /nfs/dbraw/zinc/90/47/99/906904799.db2.gz WOHAMQRTNKJUOQ-HNNXBMFYSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168146683 907463175 /nfs/dbraw/zinc/46/31/75/907463175.db2.gz IPOAYYRHGBCPGS-UHFFFAOYSA-N 1 3 299.846 1.711 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000987552064 907738508 /nfs/dbraw/zinc/73/85/08/907738508.db2.gz QFNIWRGSJRIHBS-RHSMWYFYSA-N 1 3 299.418 1.574 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605770 909918300 /nfs/dbraw/zinc/91/83/00/909918300.db2.gz SENFAFNEYJODBQ-JKSUJKDBSA-N 1 3 291.439 1.581 20 30 CDEDHO CC[N@@H+]1CCO[C@@H]2CN([C@H](C)CCCC#N)C[C@@H]2C1 ZINC001172498128 911733354 /nfs/dbraw/zinc/73/33/54/911733354.db2.gz JBAOAISIDYJPIT-QLFBSQMISA-N 1 3 265.401 1.721 20 30 CDEDHO CC[N@H+]1CCO[C@@H]2CN([C@H](C)CCCC#N)C[C@@H]2C1 ZINC001172498128 911733359 /nfs/dbraw/zinc/73/33/59/911733359.db2.gz JBAOAISIDYJPIT-QLFBSQMISA-N 1 3 265.401 1.721 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178702864 915598015 /nfs/dbraw/zinc/59/80/15/915598015.db2.gz XXDYQLPYZHWJMJ-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995887467 918181372 /nfs/dbraw/zinc/18/13/72/918181372.db2.gz PIMGQUJJKCALDJ-AWEZNQCLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001000191459 936526649 /nfs/dbraw/zinc/52/66/49/936526649.db2.gz JAOADNPYHYHQJA-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCOCC[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203459328 919262725 /nfs/dbraw/zinc/26/27/25/919262725.db2.gz CKIUNTMLUZJIKB-UHFFFAOYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185203233 919476833 /nfs/dbraw/zinc/47/68/33/919476833.db2.gz DYOSVCFAHMUGDJ-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185218277 919482935 /nfs/dbraw/zinc/48/29/35/919482935.db2.gz ZSICFQBEIZIRLO-UONOGXRCSA-N 1 3 288.395 1.050 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185550627 919649494 /nfs/dbraw/zinc/64/94/94/919649494.db2.gz WCXFPORGYAXWGE-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185548278 919650439 /nfs/dbraw/zinc/65/04/39/919650439.db2.gz LHLIQWBXXMSKBX-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037253 924477236 /nfs/dbraw/zinc/47/72/36/924477236.db2.gz JBRLXNIRDSERRH-HUUCEWRRSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165718953 925033549 /nfs/dbraw/zinc/03/35/49/925033549.db2.gz USVDCYCXDCCFIT-CQSZACIVSA-N 1 3 279.428 1.226 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052632 926193637 /nfs/dbraw/zinc/19/36/37/926193637.db2.gz GWWHSONKRRRBTH-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086533799 929100948 /nfs/dbraw/zinc/10/09/48/929100948.db2.gz AWGUMUMOBCZPTM-JOCQHMNTSA-N 1 3 297.830 1.319 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115592034 937398453 /nfs/dbraw/zinc/39/84/53/937398453.db2.gz PSIUYDCMABKKGY-CQSZACIVSA-N 1 3 281.444 1.921 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135981015 930580709 /nfs/dbraw/zinc/58/07/09/930580709.db2.gz WILXXYBGHLPICY-KGLIPLIRSA-N 1 3 267.417 1.224 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001275290491 931725149 /nfs/dbraw/zinc/72/51/49/931725149.db2.gz OKFCSABNYJCLHX-ROUUACIJSA-N 1 3 298.434 1.768 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001275290491 931725154 /nfs/dbraw/zinc/72/51/54/931725154.db2.gz OKFCSABNYJCLHX-ROUUACIJSA-N 1 3 298.434 1.768 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]C(C)C)C2)CC1 ZINC001091377433 932122149 /nfs/dbraw/zinc/12/21/49/932122149.db2.gz JSYVJBPIPPNIJK-UHFFFAOYSA-N 1 3 291.439 1.224 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146602329 932269656 /nfs/dbraw/zinc/26/96/56/932269656.db2.gz SDAURNZFMJAAPY-KBPBESRZSA-N 1 3 269.433 1.776 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146594861 932270723 /nfs/dbraw/zinc/27/07/23/932270723.db2.gz VQOUNNSAFUTSLA-QWHCGFSZSA-N 1 3 255.406 1.386 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780578 932883612 /nfs/dbraw/zinc/88/36/12/932883612.db2.gz QQYFUIHXWHIFCS-FMKPAKJESA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780578 932883613 /nfs/dbraw/zinc/88/36/13/932883613.db2.gz QQYFUIHXWHIFCS-FMKPAKJESA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044749732 935869648 /nfs/dbraw/zinc/86/96/48/935869648.db2.gz LFDKKUMFBBNTKR-VXGBXAGGSA-N 1 3 262.357 1.107 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322482 935941007 /nfs/dbraw/zinc/94/10/07/935941007.db2.gz BZJSLJKIPYNRJV-GOEBONIOSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305439 938605970 /nfs/dbraw/zinc/60/59/70/938605970.db2.gz ICSJWEBIWLWWLX-MELADBBJSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419455 938620996 /nfs/dbraw/zinc/62/09/96/938620996.db2.gz PXMCWKFUPCDCFS-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175453 938773845 /nfs/dbraw/zinc/77/38/45/938773845.db2.gz SAMAALUMABHWPY-GDBMZVCRSA-N 1 3 291.439 1.651 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175453 938773847 /nfs/dbraw/zinc/77/38/47/938773847.db2.gz SAMAALUMABHWPY-GDBMZVCRSA-N 1 3 291.439 1.651 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160353031 938782284 /nfs/dbraw/zinc/78/22/84/938782284.db2.gz NOXOIEVGRNTKNU-INIZCTEOSA-N 1 3 289.423 1.098 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677558 939625186 /nfs/dbraw/zinc/62/51/86/939625186.db2.gz JYCZMXWTZKBTGS-LSDHHAIUSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651343 939699905 /nfs/dbraw/zinc/69/99/05/939699905.db2.gz NBCBLCIAQUTHEA-HUUCEWRRSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210316170 940682762 /nfs/dbraw/zinc/68/27/62/940682762.db2.gz VMICLZNZWSQSNB-ZBFHGGJFSA-N 1 3 296.411 1.196 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541307 940893386 /nfs/dbraw/zinc/89/33/86/940893386.db2.gz XTVCAVWMTYFCPO-ARFHVFGLSA-N 1 3 293.455 1.731 20 30 CDEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221292933 941514022 /nfs/dbraw/zinc/51/40/22/941514022.db2.gz WNKJJXDYIBNVCM-HIFRSBDPSA-N 1 3 292.427 1.305 20 30 CDEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221292933 941514027 /nfs/dbraw/zinc/51/40/27/941514027.db2.gz WNKJJXDYIBNVCM-HIFRSBDPSA-N 1 3 292.427 1.305 20 30 CDEDHO CN(C)CC[N@@H+]1CCC2(CN(CCCCC#N)C2)C1 ZINC001277951999 944194227 /nfs/dbraw/zinc/19/42/27/944194227.db2.gz RSLQCAIQNXYMLC-UHFFFAOYSA-N 1 3 264.417 1.250 20 30 CDEDHO CN(C)CC[N@H+]1CCC2(CN(CCCCC#N)C2)C1 ZINC001277951999 944194229 /nfs/dbraw/zinc/19/42/29/944194229.db2.gz RSLQCAIQNXYMLC-UHFFFAOYSA-N 1 3 264.417 1.250 20 30 CDEDHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1C#N)N(C)C ZINC001262565778 946715397 /nfs/dbraw/zinc/71/53/97/946715397.db2.gz WEFQFJVHPYEZLR-UKRRQHHQSA-N 1 3 291.395 1.228 20 30 CDEDHO N#CC1CC([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256687034 948395601 /nfs/dbraw/zinc/39/56/01/948395601.db2.gz KNXOCRNUXUUOGU-UHFFFAOYSA-N 1 3 263.385 1.522 20 30 CDEDHO C#CCCC1(CC[NH2+]C[C@@H](O)CN(CC)CC)N=N1 ZINC001253216617 951818914 /nfs/dbraw/zinc/81/89/14/951818914.db2.gz OXDWVZCXPRAYBF-CYBMUJFWSA-N 1 3 266.389 1.244 20 30 CDEDHO CC(C)(C)[NH2+]C[C@@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001253389345 951873400 /nfs/dbraw/zinc/87/34/00/951873400.db2.gz ZQMVVVDJBTVCLI-VXGBXAGGSA-N 1 3 284.425 1.010 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480620433 971812067 /nfs/dbraw/zinc/81/20/67/971812067.db2.gz VJGKLRDVHJYEBD-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[C@H](CCOC)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001335330191 959720277 /nfs/dbraw/zinc/72/02/77/959720277.db2.gz RFAKCOMJMYBLSR-RBSFLKMASA-N 1 3 250.386 1.631 20 30 CDEDHO C#CC[C@H](CCOC)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001335330191 959720286 /nfs/dbraw/zinc/72/02/86/959720286.db2.gz RFAKCOMJMYBLSR-RBSFLKMASA-N 1 3 250.386 1.631 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001340805808 963134084 /nfs/dbraw/zinc/13/40/84/963134084.db2.gz AVYXULYSABPHOC-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357991793 969676940 /nfs/dbraw/zinc/67/69/40/969676940.db2.gz DQKQPNXVROQJHA-CRWXNKLISA-N 1 3 265.401 1.317 20 30 CDEDHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CCCC#N ZINC000595944672 343205239 /nfs/dbraw/zinc/20/52/39/343205239.db2.gz UVHBQCLTYODAGV-KBPBESRZSA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595992429 343213252 /nfs/dbraw/zinc/21/32/52/343213252.db2.gz QSUUMVLQAMFALP-HUUCEWRRSA-N 1 3 292.427 1.246 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992429 343213253 /nfs/dbraw/zinc/21/32/53/343213253.db2.gz QSUUMVLQAMFALP-HUUCEWRRSA-N 1 3 292.427 1.246 20 30 CDEDHO CC(C)[NH+]1CCN(CCCN[C@H](C)CC#N)CC1 ZINC000602871906 344641719 /nfs/dbraw/zinc/64/17/19/344641719.db2.gz YKBQJKWNSOQBKJ-CQSZACIVSA-N 1 3 252.406 1.294 20 30 CDEDHO C#C[C@@H](CCC)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000491640678 347585353 /nfs/dbraw/zinc/58/53/53/347585353.db2.gz YRLNMIBSTCTQEI-QWHCGFSZSA-N 1 3 250.390 1.387 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C(C)C ZINC000130457490 368831550 /nfs/dbraw/zinc/83/15/50/368831550.db2.gz SNKMFGRHHQXYFY-JKSUJKDBSA-N 1 3 293.455 1.801 20 30 CDEDHO Cn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1C#N ZINC000189587663 377334921 /nfs/dbraw/zinc/33/49/21/377334921.db2.gz WHXUCGJUSATBBX-GFCCVEGCSA-N 1 3 258.369 1.471 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000417546392 377933329 /nfs/dbraw/zinc/93/33/29/377933329.db2.gz ZIHAZHCFLUGYSZ-INIZCTEOSA-N 1 3 294.443 1.407 20 30 CDEDHO N#Cc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423105561 390821245 /nfs/dbraw/zinc/82/12/45/390821245.db2.gz QTVCOHLJSCKKQX-XYPWUTKMSA-N 1 3 255.365 1.973 20 30 CDEDHO CN1CC[NH+]=C1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000262687734 391812827 /nfs/dbraw/zinc/81/28/27/391812827.db2.gz ZAYDPDKZMYTDHD-CYBMUJFWSA-N 1 3 292.452 1.851 20 30 CDEDHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345116405 392019789 /nfs/dbraw/zinc/01/97/89/392019789.db2.gz VUEBXSDWLMUPJY-GASCZTMLSA-N 1 3 294.443 1.553 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648773484 393324173 /nfs/dbraw/zinc/32/41/73/393324173.db2.gz MFDFJRFJUJCMLZ-TZMCWYRMSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648773484 393324175 /nfs/dbraw/zinc/32/41/75/393324175.db2.gz MFDFJRFJUJCMLZ-TZMCWYRMSA-N 1 3 265.401 1.093 20 30 CDEDHO CCNC(NCc1ccnc(OCCN(C)C)c1)=[NH+]CC ZINC000270547668 262989361 /nfs/dbraw/zinc/98/93/61/262989361.db2.gz FGXDANGTZCLTLJ-UHFFFAOYSA-N 1 3 293.415 1.097 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000353441871 263056221 /nfs/dbraw/zinc/05/62/21/263056221.db2.gz FNJAXZIOOAHPFC-KGLIPLIRSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C(C)C ZINC000165202688 264210150 /nfs/dbraw/zinc/21/01/50/264210150.db2.gz DECRTHGWCBRROR-ZBFHGGJFSA-N 1 3 297.418 1.503 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC[C@H]1C ZINC000262638569 330023992 /nfs/dbraw/zinc/02/39/92/330023992.db2.gz HGVOBWOZIBPHAA-MGPQQGTHSA-N 1 3 282.432 1.048 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000263154262 330046364 /nfs/dbraw/zinc/04/63/64/330046364.db2.gz MOAGURMEFUTSTE-SYQHCUMBSA-N 1 3 296.459 1.435 20 30 CDEDHO CN(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135418 330270427 /nfs/dbraw/zinc/27/04/27/330270427.db2.gz MGVAFUSDXIOCJU-CABCVRRESA-N 1 3 288.395 1.427 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000491702903 332296934 /nfs/dbraw/zinc/29/69/34/332296934.db2.gz HFHZUMQIZVKBQQ-CQSZACIVSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000491702903 332296935 /nfs/dbraw/zinc/29/69/35/332296935.db2.gz HFHZUMQIZVKBQQ-CQSZACIVSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001754448482 1159212703 /nfs/dbraw/zinc/21/27/03/1159212703.db2.gz ZYPVBBRYBFFHST-OAHLLOKOSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000236663302 482598114 /nfs/dbraw/zinc/59/81/14/482598114.db2.gz YVGOYQPIPIDTPK-PMPSAXMXSA-N 1 3 293.455 1.929 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)C#N)[C@H](C)C1 ZINC000347080116 528666580 /nfs/dbraw/zinc/66/65/80/528666580.db2.gz IJBNGROZZJKJSH-MCIONIFRSA-N 1 3 281.400 1.399 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)C#N)[C@H](C)C1 ZINC000347080116 528666583 /nfs/dbraw/zinc/66/65/83/528666583.db2.gz IJBNGROZZJKJSH-MCIONIFRSA-N 1 3 281.400 1.399 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000763972235 576769590 /nfs/dbraw/zinc/76/95/90/576769590.db2.gz MMYWDSPDOURIRR-UHFFFAOYSA-N 1 3 267.417 1.487 20 30 CDEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@H+](C)CC=C)C2)CC1 ZINC000980479968 613129818 /nfs/dbraw/zinc/12/98/18/613129818.db2.gz ZPYIMNJFXSIQKF-INIZCTEOSA-N 1 3 289.423 1.050 20 30 CDEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC=C)C2)CC1 ZINC000980479968 613129820 /nfs/dbraw/zinc/12/98/20/613129820.db2.gz ZPYIMNJFXSIQKF-INIZCTEOSA-N 1 3 289.423 1.050 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600555 613338349 /nfs/dbraw/zinc/33/83/49/613338349.db2.gz NXZJKXMBJPYHNJ-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977600555 613338350 /nfs/dbraw/zinc/33/83/50/613338350.db2.gz NXZJKXMBJPYHNJ-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961949333 613839014 /nfs/dbraw/zinc/83/90/14/613839014.db2.gz VDAKQLOHTSOUJE-XUWVNRHRSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961949333 613839015 /nfs/dbraw/zinc/83/90/15/613839015.db2.gz VDAKQLOHTSOUJE-XUWVNRHRSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735243 629456858 /nfs/dbraw/zinc/45/68/58/629456858.db2.gz VSSYTAOETRIESZ-HNNXBMFYSA-N 1 3 275.396 1.488 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)OC(C)C ZINC000154576830 632302714 /nfs/dbraw/zinc/30/27/14/632302714.db2.gz FAPFVTPHQZLKAR-CYBMUJFWSA-N 1 3 298.431 1.107 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133191781 1163602444 /nfs/dbraw/zinc/60/24/44/1163602444.db2.gz SYNIGQBPNTVZSX-GJZGRUSLSA-N 1 3 281.444 1.588 20 30 CDEDHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691979337 1175662187 /nfs/dbraw/zinc/66/21/87/1175662187.db2.gz JHVHQYFHULDGHU-JKSUJKDBSA-N 1 3 293.455 1.376 20 30 CDEDHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691979337 1175662191 /nfs/dbraw/zinc/66/21/91/1175662191.db2.gz JHVHQYFHULDGHU-JKSUJKDBSA-N 1 3 293.455 1.376 20 30 CDEDHO CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000151545878 1178101978 /nfs/dbraw/zinc/10/19/78/1178101978.db2.gz OVOLIFJUJRHXBH-UHFFFAOYSA-N 1 3 276.384 1.113 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001713220270 1178438074 /nfs/dbraw/zinc/43/80/74/1178438074.db2.gz IBBWCOYQPIHHKJ-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001713220270 1178438083 /nfs/dbraw/zinc/43/80/83/1178438083.db2.gz IBBWCOYQPIHHKJ-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840133 1184928338 /nfs/dbraw/zinc/92/83/38/1184928338.db2.gz HACKNYLGOOMDQI-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840133 1184928345 /nfs/dbraw/zinc/92/83/45/1184928345.db2.gz HACKNYLGOOMDQI-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001753281076 1185141603 /nfs/dbraw/zinc/14/16/03/1185141603.db2.gz SITIVSZWLNSXNP-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C/C=C\Cl)CC1 ZINC001754254435 1185532609 /nfs/dbraw/zinc/53/26/09/1185532609.db2.gz BJWOTLMFQWPHSU-LLPBQKLSSA-N 1 3 297.830 1.178 20 30 CDEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001754556691 1185665334 /nfs/dbraw/zinc/66/53/34/1185665334.db2.gz GAHYDYFBKHLUHF-QGZVFWFLSA-N 1 3 291.439 1.276 20 30 CDEDHO C=CC[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001754656083 1185693833 /nfs/dbraw/zinc/69/38/33/1185693833.db2.gz KRZHWAKEGLXOCE-OAHLLOKOSA-N 1 3 281.444 1.777 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541696 730441655 /nfs/dbraw/zinc/44/16/55/730441655.db2.gz KDUBZZJZJQSWRJ-JOCQHMNTSA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027461805 730486544 /nfs/dbraw/zinc/48/65/44/730486544.db2.gz PODCJMQXEDJYII-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027461805 730486548 /nfs/dbraw/zinc/48/65/48/730486548.db2.gz PODCJMQXEDJYII-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033318421 730611251 /nfs/dbraw/zinc/61/12/51/730611251.db2.gz JLAWANXQFJZWLL-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCC2)C1 ZINC001033318421 730611259 /nfs/dbraw/zinc/61/12/59/730611259.db2.gz JLAWANXQFJZWLL-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058391 730689222 /nfs/dbraw/zinc/68/92/22/730689222.db2.gz XSWCHTIWPYTATF-SOUVJXGZSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058391 730689226 /nfs/dbraw/zinc/68/92/26/730689226.db2.gz XSWCHTIWPYTATF-SOUVJXGZSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576140 730869382 /nfs/dbraw/zinc/86/93/82/730869382.db2.gz KYXMYSARYBWBQM-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576140 730869383 /nfs/dbraw/zinc/86/93/83/730869383.db2.gz KYXMYSARYBWBQM-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C(C)C)CC1 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001020508209 732126132 /nfs/dbraw/zinc/12/61/32/732126132.db2.gz OTKYRZPYWWPFPU-XUXIUFHCSA-N 1 3 299.846 1.706 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233345 732205529 /nfs/dbraw/zinc/20/55/29/732205529.db2.gz MMWDYFILBCWLNO-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049233345 732205532 /nfs/dbraw/zinc/20/55/32/732205532.db2.gz MMWDYFILBCWLNO-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO C[C@H](CNC(=[NH2+])NCC1CCC1)N1CCCC[C@H]1C ZINC000261964232 732395156 /nfs/dbraw/zinc/39/51/56/732395156.db2.gz AOUTZNQXBHBODM-CHWSQXEVSA-N 1 3 266.433 1.954 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001034786015 732750129 /nfs/dbraw/zinc/75/01/29/732750129.db2.gz HNLROSFVWRCDLP-JOCQHMNTSA-N 1 3 276.384 1.464 20 30 CDEDHO C=CC(C)(C)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849036166 732886588 /nfs/dbraw/zinc/88/65/88/732886588.db2.gz UWBBKHSROFGGLB-LBPRGKRZSA-N 1 3 252.406 1.797 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000997363627 733035060 /nfs/dbraw/zinc/03/50/60/733035060.db2.gz HZSCWJJTVCAJIQ-HNNXBMFYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046318328 733065741 /nfs/dbraw/zinc/06/57/41/733065741.db2.gz KLONBJGKLHLLME-NVXWUHKLSA-N 1 3 291.439 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001000221151 733138177 /nfs/dbraw/zinc/13/81/77/733138177.db2.gz VZTNAIJPGQCMLE-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001266439194 894896529 /nfs/dbraw/zinc/89/65/29/894896529.db2.gz JNAJIVUVUGWYEZ-HUUCEWRRSA-N 1 3 281.444 1.633 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067009 899847241 /nfs/dbraw/zinc/84/72/41/899847241.db2.gz IXWISVKRRRDOGA-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 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CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185548416 919647650 /nfs/dbraw/zinc/64/76/50/919647650.db2.gz MNRZMNNGWZVQBX-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185716431 919727025 /nfs/dbraw/zinc/72/70/25/919727025.db2.gz XUVNXZOIRWQJIF-OLZOCXBDSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187322623 920468740 /nfs/dbraw/zinc/46/87/40/920468740.db2.gz PFAYMZHZLBMEBQ-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098843462 936765707 /nfs/dbraw/zinc/76/57/07/936765707.db2.gz CAQHJKIAXSJDFY-DLTWYDFYSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098843462 936765708 /nfs/dbraw/zinc/76/57/08/936765708.db2.gz CAQHJKIAXSJDFY-DLTWYDFYSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000838622730 936884183 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C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433487 937142028 /nfs/dbraw/zinc/14/20/28/937142028.db2.gz FTDRPAGKSKOLEK-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433487 937142030 /nfs/dbraw/zinc/14/20/30/937142030.db2.gz FTDRPAGKSKOLEK-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584964 929797718 /nfs/dbraw/zinc/79/77/18/929797718.db2.gz YHLKQWVKMLADAF-ZIAGYGMSSA-N 1 3 279.428 1.367 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584962 929798999 /nfs/dbraw/zinc/79/89/99/929798999.db2.gz YHLKQWVKMLADAF-UONOGXRCSA-N 1 3 279.428 1.367 20 30 CDEDHO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](CC)N(C)C ZINC001274511165 931505570 /nfs/dbraw/zinc/50/55/70/931505570.db2.gz OFYFLRRDLWMGRJ-WSROAFLRSA-N 1 3 253.390 1.165 20 30 CDEDHO N=C(Nc1cccc2c1CC[C@H]2[NH3+])c1ccc(C(N)=O)cc1 ZINC001171258515 932171383 /nfs/dbraw/zinc/17/13/83/932171383.db2.gz BHBJZQBPXCEPGX-CQSZACIVSA-N 1 3 294.358 1.769 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC)CC1 ZINC001146608959 932271804 /nfs/dbraw/zinc/27/18/04/932271804.db2.gz BKYBGEQBRYWVLN-KGLIPLIRSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985291 932903824 /nfs/dbraw/zinc/90/38/24/932903824.db2.gz NFONGETWJSWLIL-INMHGKMJSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985291 932903835 /nfs/dbraw/zinc/90/38/35/932903835.db2.gz NFONGETWJSWLIL-INMHGKMJSA-N 1 3 293.455 1.539 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857284 935871247 /nfs/dbraw/zinc/87/12/47/935871247.db2.gz HOZDKOWWCCREJV-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122248808 937915276 /nfs/dbraw/zinc/91/52/76/937915276.db2.gz KDPBKVKJEUCALW-UHFFFAOYSA-N 1 3 291.439 1.367 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156383876 938361477 /nfs/dbraw/zinc/36/14/77/938361477.db2.gz RHLZWVAHTYKIIE-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156383876 938361479 /nfs/dbraw/zinc/36/14/79/938361479.db2.gz RHLZWVAHTYKIIE-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651590 939699594 /nfs/dbraw/zinc/69/95/94/939699594.db2.gz OFERCIGPFJERDP-LSDHHAIUSA-N 1 3 293.455 1.921 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793683 939705129 /nfs/dbraw/zinc/70/51/29/939705129.db2.gz SSNWIXXDMJXIRV-HUUCEWRRSA-N 1 3 291.439 1.367 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209486502 940595063 /nfs/dbraw/zinc/59/50/63/940595063.db2.gz ZCYGRDPZQFFICG-LSDHHAIUSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210486280 940693667 /nfs/dbraw/zinc/69/36/67/940693667.db2.gz SNYGHYOATDCHCT-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210486280 940693669 /nfs/dbraw/zinc/69/36/69/940693669.db2.gz SNYGHYOATDCHCT-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844527 940968810 /nfs/dbraw/zinc/96/88/10/940968810.db2.gz DMENFZDZPWYCIY-BZUAXINKSA-N 1 3 291.439 1.321 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218629101 941247610 /nfs/dbraw/zinc/24/76/10/941247610.db2.gz WFVVLTMMDXUYAS-JTQLQIEISA-N 1 3 272.308 1.309 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001225543510 941877421 /nfs/dbraw/zinc/87/74/21/941877421.db2.gz VGBNTWOHSYQDML-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589484 944212870 /nfs/dbraw/zinc/21/28/70/944212870.db2.gz SBDBIOQWGVLEII-GJZGRUSLSA-N 1 3 281.444 1.681 20 30 CDEDHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1C#N)N(C)C ZINC001262565776 946715508 /nfs/dbraw/zinc/71/55/08/946715508.db2.gz WEFQFJVHPYEZLR-DZGCQCFKSA-N 1 3 291.395 1.228 20 30 CDEDHO C#CCCN1CCC[C@H]([NH2+][C@H]2CCCN(C)CC2)C1=O ZINC001254510966 947474513 /nfs/dbraw/zinc/47/45/13/947474513.db2.gz ZJLHEPLAEUMVQZ-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO N=C(N[C@H]1CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC001246305478 948094783 /nfs/dbraw/zinc/09/47/83/948094783.db2.gz HYTXDYSKZZBRQP-LBPRGKRZSA-N 1 3 254.337 1.692 20 30 CDEDHO C=C[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253585710 951977581 /nfs/dbraw/zinc/97/75/81/951977581.db2.gz ZAQFIARDAKESKK-RRFJBIMHSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253585710 951977583 /nfs/dbraw/zinc/97/75/83/951977583.db2.gz ZAQFIARDAKESKK-RRFJBIMHSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001253606485 951991516 /nfs/dbraw/zinc/99/15/16/951991516.db2.gz IIPTYDXTKHIRED-INIZCTEOSA-N 1 3 275.396 1.430 20 30 CDEDHO C#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001493874217 972130738 /nfs/dbraw/zinc/13/07/38/972130738.db2.gz AVVOTHHVYOUWEH-HNNXBMFYSA-N 1 3 281.444 1.423 20 30 CDEDHO C#CC[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001493874217 972130740 /nfs/dbraw/zinc/13/07/40/972130740.db2.gz AVVOTHHVYOUWEH-HNNXBMFYSA-N 1 3 281.444 1.423 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001368748502 959102332 /nfs/dbraw/zinc/10/23/32/959102332.db2.gz GKCLMWJDUXACSK-QWHCGFSZSA-N 1 3 289.851 1.810 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001340180750 962798429 /nfs/dbraw/zinc/79/84/29/962798429.db2.gz FRLBDPCSJKEYOU-IUCAKERBSA-N 1 3 267.295 1.066 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001340220183 962823678 /nfs/dbraw/zinc/82/36/78/962823678.db2.gz OYLIRSUTIHKFMI-LBPRGKRZSA-N 1 3 285.457 1.224 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NCC1([NH3+])CC1 ZINC001341302150 963357204 /nfs/dbraw/zinc/35/72/04/963357204.db2.gz LLOPSIVNZJXMNQ-GFCCVEGCSA-N 1 3 255.406 1.672 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001342308881 963705979 /nfs/dbraw/zinc/70/59/79/963705979.db2.gz ZQCUGKQTSXYJMA-MGPQQGTHSA-N 1 3 269.433 1.918 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001357661269 969638570 /nfs/dbraw/zinc/63/85/70/969638570.db2.gz VQIWTASNWYTOIP-KGLIPLIRSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001358025222 969680623 /nfs/dbraw/zinc/68/06/23/969680623.db2.gz YCMJXJRMBCVZTF-HOTGVXAUSA-N 1 3 287.407 1.501 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001397652569 975670623 /nfs/dbraw/zinc/67/06/23/975670623.db2.gz RZXPFIVFWFTPAI-JOCQHMNTSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346544 1163643572 /nfs/dbraw/zinc/64/35/72/1163643572.db2.gz MOFFZAQSBNZHPV-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347264 1163648203 /nfs/dbraw/zinc/64/82/03/1163648203.db2.gz VSIZTLSIBNSRDC-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570835 342637191 /nfs/dbraw/zinc/63/71/91/342637191.db2.gz VIEUDRNKUUESSQ-CJNGLKHVSA-N 1 3 299.422 1.510 20 30 CDEDHO C[NH+](C)CC1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597706179 343605291 /nfs/dbraw/zinc/60/52/91/343605291.db2.gz QIESFZPTUXXGGX-INIZCTEOSA-N 1 3 296.374 1.261 20 30 CDEDHO CN(C)C(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738604 357222783 /nfs/dbraw/zinc/22/27/83/357222783.db2.gz SAGZIMWKWFMKND-UHFFFAOYSA-N 1 3 261.373 1.174 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448451522 360728009 /nfs/dbraw/zinc/72/80/09/360728009.db2.gz YTUXTVJQHDCVCV-MBNYWOFBSA-N 1 3 261.369 1.621 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448451522 360728013 /nfs/dbraw/zinc/72/80/13/360728013.db2.gz YTUXTVJQHDCVCV-MBNYWOFBSA-N 1 3 261.369 1.621 20 30 CDEDHO C[C@H](CC[NH+](C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349872110 360956807 /nfs/dbraw/zinc/95/68/07/360956807.db2.gz BSFUDULTYFUZDI-CJNGLKHVSA-N 1 3 298.390 1.697 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001661652969 1172421932 /nfs/dbraw/zinc/42/19/32/1172421932.db2.gz GGCDFRJVSITMII-MJBXVCDLSA-N 1 3 267.417 1.530 20 30 CDEDHO Cn1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1C#N ZINC000232314333 372962615 /nfs/dbraw/zinc/96/26/15/372962615.db2.gz UFWSRZJDSRSHBW-GJZGRUSLSA-N 1 3 258.369 1.613 20 30 CDEDHO CC#CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000339656601 391320072 /nfs/dbraw/zinc/32/00/72/391320072.db2.gz AIDJAIZQFBIZQO-YIONKMFJSA-N 1 3 250.386 1.583 20 30 CDEDHO CC#CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000339656601 391320074 /nfs/dbraw/zinc/32/00/74/391320074.db2.gz AIDJAIZQFBIZQO-YIONKMFJSA-N 1 3 250.386 1.583 20 30 CDEDHO N#Cc1ccc(CN2CCC(NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423233424 392960264 /nfs/dbraw/zinc/96/02/64/392960264.db2.gz JVLKDZXKIIYJJR-SFHVURJKSA-N 1 3 298.434 1.864 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648773337 393324322 /nfs/dbraw/zinc/32/43/22/393324322.db2.gz DEANAQOWCDTVJC-UKRRQHHQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648773337 393324324 /nfs/dbraw/zinc/32/43/24/393324324.db2.gz DEANAQOWCDTVJC-UKRRQHHQSA-N 1 3 279.428 1.483 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000044809921 175257619 /nfs/dbraw/zinc/25/76/19/175257619.db2.gz FQHOYBXRDORTEQ-CYBMUJFWSA-N 1 3 259.353 1.784 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000044809921 175257620 /nfs/dbraw/zinc/25/76/20/175257620.db2.gz FQHOYBXRDORTEQ-CYBMUJFWSA-N 1 3 259.353 1.784 20 30 CDEDHO CC(C#N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000332063488 228145953 /nfs/dbraw/zinc/14/59/53/228145953.db2.gz ZNAIKTOQBCLLLT-GFCCVEGCSA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000357811203 266369257 /nfs/dbraw/zinc/36/92/57/266369257.db2.gz DXXKSPSVGGPHOX-JHJVBQTASA-N 1 3 251.374 1.630 20 30 CDEDHO CCNC(=[NH2+])NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000267393911 328177946 /nfs/dbraw/zinc/17/79/46/328177946.db2.gz DQWSFMVKKVOQHN-UHFFFAOYSA-N 1 3 290.411 1.068 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000179499325 329209279 /nfs/dbraw/zinc/20/92/79/329209279.db2.gz ZDAUXIONFLGWHY-CABCVRRESA-N 1 3 252.402 1.736 20 30 CDEDHO C#CCNC(=[NH+]CC)N1CC[C@H](N2CCCCC2)C1 ZINC000262427577 330010060 /nfs/dbraw/zinc/01/00/60/330010060.db2.gz DEMOVCUYCFJTJY-AWEZNQCLSA-N 1 3 262.401 1.145 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262762799 330029872 /nfs/dbraw/zinc/02/98/72/330029872.db2.gz FZYDYZXHMVAFHK-CHWSQXEVSA-N 1 3 266.389 1.068 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422863543 330158120 /nfs/dbraw/zinc/15/81/20/330158120.db2.gz RXPMSRJOATXXIL-HIFRSBDPSA-N 1 3 251.418 1.744 20 30 CDEDHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](N)CCCC#N)CC1 ZINC000424141272 330282508 /nfs/dbraw/zinc/28/25/08/330282508.db2.gz XAGTWVIMMLISIK-CQSZACIVSA-N 1 3 280.416 1.339 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000424180306 330321006 /nfs/dbraw/zinc/32/10/06/330321006.db2.gz VEXWNWTYKRXQSA-HNNXBMFYSA-N 1 3 288.395 1.038 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000424197126 330325645 /nfs/dbraw/zinc/32/56/45/330325645.db2.gz NLBRTHRHZKKCQF-LSDHHAIUSA-N 1 3 288.395 1.604 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669465262 483173177 /nfs/dbraw/zinc/17/31/77/483173177.db2.gz MYVXLFOFJSYGQU-CQSZACIVSA-N 1 3 280.416 1.078 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000353314147 526443261 /nfs/dbraw/zinc/44/32/61/526443261.db2.gz LEJJWUNMHQFJLH-OAHLLOKOSA-N 1 3 281.444 1.920 20 30 CDEDHO C#CCOc1ccc([C@H](C)NCCOCC[NH+](C)C)cc1 ZINC000774380588 575201861 /nfs/dbraw/zinc/20/18/61/575201861.db2.gz IGLYGWHYGVDFAJ-HNNXBMFYSA-N 1 3 290.407 1.927 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000735923735 575535839 /nfs/dbraw/zinc/53/58/39/575535839.db2.gz JBWLGHDSENCCSH-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000766894766 576143145 /nfs/dbraw/zinc/14/31/45/576143145.db2.gz GRCLXXUVMXTGME-IRXDYDNUSA-N 1 3 277.456 1.890 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947614975 613256394 /nfs/dbraw/zinc/25/63/94/613256394.db2.gz BWZLXSQPPZXHIQ-CABCVRRESA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684592 613596994 /nfs/dbraw/zinc/59/69/94/613596994.db2.gz JBAFVGQUCJZYRL-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982112789 613678678 /nfs/dbraw/zinc/67/86/78/613678678.db2.gz DJQHNOUTXAZNGQ-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982112789 613678679 /nfs/dbraw/zinc/67/86/79/613678679.db2.gz DJQHNOUTXAZNGQ-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948241167 613700887 /nfs/dbraw/zinc/70/08/87/613700887.db2.gz KSPFLEGJIVBXKK-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948241167 613700888 /nfs/dbraw/zinc/70/08/88/613700888.db2.gz KSPFLEGJIVBXKK-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000925608004 617550187 /nfs/dbraw/zinc/55/01/87/617550187.db2.gz DXTYJLOECNWXJT-CJNGLKHVSA-N 1 3 299.422 1.652 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911699290 629423397 /nfs/dbraw/zinc/42/33/97/629423397.db2.gz PEXULNRLVRNVTI-QWHCGFSZSA-N 1 3 255.406 1.542 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739074 629459280 /nfs/dbraw/zinc/45/92/80/629459280.db2.gz PJERVSYRNGMWNH-ZIAGYGMSSA-N 1 3 269.433 1.872 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819295 629547151 /nfs/dbraw/zinc/54/71/51/629547151.db2.gz PHNMFWAQWXKLIE-UONOGXRCSA-N 1 3 267.417 1.694 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911833606 629563902 /nfs/dbraw/zinc/56/39/02/629563902.db2.gz YUJUVNWQTKYJSE-JSGCOSHPSA-N 1 3 255.406 1.550 20 30 CDEDHO CN(C)CC#CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000913517461 630520980 /nfs/dbraw/zinc/52/09/80/630520980.db2.gz BKAVZSYLMAKLAR-UHFFFAOYSA-N 1 3 299.418 1.577 20 30 CDEDHO C=CC[NH2+]CCN(CC)C(=O)CN1CCC(C)CC1 ZINC001754074345 1158725982 /nfs/dbraw/zinc/72/59/82/1158725982.db2.gz RVRHRZMQLKQRDF-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO C=CCOC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC001252481339 1164470998 /nfs/dbraw/zinc/47/09/98/1164470998.db2.gz BOIOGTLTPJAFJR-AWEZNQCLSA-N 1 3 256.390 1.012 20 30 CDEDHO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CN(CC)CC ZINC001153653832 1164813079 /nfs/dbraw/zinc/81/30/79/1164813079.db2.gz HLXYVJBIINAKEB-KGLIPLIRSA-N 1 3 285.407 1.126 20 30 CDEDHO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CN(CC)CC ZINC001153653832 1164813085 /nfs/dbraw/zinc/81/30/85/1164813085.db2.gz HLXYVJBIINAKEB-KGLIPLIRSA-N 1 3 285.407 1.126 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001752882666 1184949331 /nfs/dbraw/zinc/94/93/31/1184949331.db2.gz AIEDESKJFALBMK-CHWSQXEVSA-N 1 3 255.406 1.387 20 30 CDEDHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001752980910 1184982024 /nfs/dbraw/zinc/98/20/24/1184982024.db2.gz SXXDSAQVXBVNGA-GJZGRUSLSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001752979870 1184982092 /nfs/dbraw/zinc/98/20/92/1184982092.db2.gz GYJSOGLHAXYSFV-KGLIPLIRSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001753424202 1185196669 /nfs/dbraw/zinc/19/66/69/1185196669.db2.gz OGVYAJZKBZHUPB-HOTGVXAUSA-N 1 3 291.439 1.580 20 30 CDEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001755458678 1185954751 /nfs/dbraw/zinc/95/47/51/1185954751.db2.gz PMEGGEOOXZGKKP-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001755458678 1185954756 /nfs/dbraw/zinc/95/47/56/1185954756.db2.gz PMEGGEOOXZGKKP-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001086711356 1163863880 /nfs/dbraw/zinc/86/38/80/1163863880.db2.gz IPMMQSRIFSEHGY-ARFHVFGLSA-N 1 3 291.439 1.369 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CC1 ZINC000193301190 735464060 /nfs/dbraw/zinc/46/40/60/735464060.db2.gz KECPDXRRLAJXJI-LLVKDONJSA-N 1 3 270.446 1.271 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049895948 733190921 /nfs/dbraw/zinc/19/09/21/733190921.db2.gz LARRIJQOGUUZMC-BZUAXINKSA-N 1 3 289.423 1.027 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049895948 733190924 /nfs/dbraw/zinc/19/09/24/733190924.db2.gz LARRIJQOGUUZMC-BZUAXINKSA-N 1 3 289.423 1.027 20 30 CDEDHO CC/[NH+]=C(/N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000429093483 733197080 /nfs/dbraw/zinc/19/70/80/733197080.db2.gz VLOPYUZIBBOTSW-YCPJBFQXSA-N 1 3 252.406 1.484 20 30 CDEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001040852964 733370699 /nfs/dbraw/zinc/37/06/99/733370699.db2.gz GDRAZMTZTAQJND-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996679907 733468203 /nfs/dbraw/zinc/46/82/03/733468203.db2.gz RJNPOIYFGJQWPY-HNNXBMFYSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997596777 733770986 /nfs/dbraw/zinc/77/09/86/733770986.db2.gz OERLIBRVPMTITC-SQWLQELKSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997596777 733770993 /nfs/dbraw/zinc/77/09/93/733770993.db2.gz OERLIBRVPMTITC-SQWLQELKSA-N 1 3 291.439 1.177 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C(C)C)no1 ZINC000304764576 733987459 /nfs/dbraw/zinc/98/74/59/733987459.db2.gz YEAJQFXYUYLVIM-GFCCVEGCSA-N 1 3 293.415 1.687 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014404466 734053362 /nfs/dbraw/zinc/05/33/62/734053362.db2.gz CVAXDWHSGQZVHX-LSDHHAIUSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014404466 734053365 /nfs/dbraw/zinc/05/33/65/734053365.db2.gz CVAXDWHSGQZVHX-LSDHHAIUSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713538 734166226 /nfs/dbraw/zinc/16/62/26/734166226.db2.gz ZQFWSBCRZDNAEJ-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052713538 734166229 /nfs/dbraw/zinc/16/62/29/734166229.db2.gz ZQFWSBCRZDNAEJ-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997361111 734336261 /nfs/dbraw/zinc/33/62/61/734336261.db2.gz SNESHQSUUKGTSQ-UHFFFAOYSA-N 1 3 299.418 1.576 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999350658 734669966 /nfs/dbraw/zinc/66/99/66/734669966.db2.gz ZZDUHLXKBWYXML-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045554191 734816875 /nfs/dbraw/zinc/81/68/75/734816875.db2.gz PNNDSFYFYWWMQJ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045554191 734816876 /nfs/dbraw/zinc/81/68/76/734816876.db2.gz PNNDSFYFYWWMQJ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073457134 734927344 /nfs/dbraw/zinc/92/73/44/734927344.db2.gz BXPZMVOXHQTIJL-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001073457134 734927345 /nfs/dbraw/zinc/92/73/45/734927345.db2.gz BXPZMVOXHQTIJL-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041678642 734941976 /nfs/dbraw/zinc/94/19/76/734941976.db2.gz JPBHWFUFZQRXIO-WBVHZDCISA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041678642 734941980 /nfs/dbraw/zinc/94/19/80/734941980.db2.gz JPBHWFUFZQRXIO-WBVHZDCISA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038270120 734958606 /nfs/dbraw/zinc/95/86/06/734958606.db2.gz SAJCVKQWNKOJMR-HZPDHXFCSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005990380 735004674 /nfs/dbraw/zinc/00/46/74/735004674.db2.gz FWVXHMRBKSGMMY-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccccc1N(C)C ZINC000883131479 735027221 /nfs/dbraw/zinc/02/72/21/735027221.db2.gz DKBGFHJCRYQKSU-UHFFFAOYSA-N 1 3 259.397 1.797 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccccc1N(C)C ZINC000883131479 735027227 /nfs/dbraw/zinc/02/72/27/735027227.db2.gz DKBGFHJCRYQKSU-UHFFFAOYSA-N 1 3 259.397 1.797 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995897937 735042213 /nfs/dbraw/zinc/04/22/13/735042213.db2.gz SLCLKDLHJFXOLM-ZDUSSCGKSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928620 735666738 /nfs/dbraw/zinc/66/67/38/735666738.db2.gz ULHPQHZCWQAXKO-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027928620 735666740 /nfs/dbraw/zinc/66/67/40/735666740.db2.gz ULHPQHZCWQAXKO-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(C)s1 ZINC000304787493 735826313 /nfs/dbraw/zinc/82/63/13/735826313.db2.gz IYBZXEGAKVNFAR-LLVKDONJSA-N 1 3 281.429 1.340 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246716 913709399 /nfs/dbraw/zinc/70/93/99/913709399.db2.gz PNUOYHIEUZNJRI-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167051434 894008014 /nfs/dbraw/zinc/00/80/14/894008014.db2.gz LSDKIJDHIXDZMD-CQSZACIVSA-N 1 3 279.428 1.082 20 30 CDEDHO C#CC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167236914 894928248 /nfs/dbraw/zinc/92/82/48/894928248.db2.gz SJFJEEBOUSGTFG-UHFFFAOYSA-N 1 3 291.439 1.228 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210811407 895449812 /nfs/dbraw/zinc/44/98/12/895449812.db2.gz NOGKDFQBACFJFS-OAHLLOKOSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809857 899527475 /nfs/dbraw/zinc/52/74/75/899527475.db2.gz SDWPNZGTKSPCFU-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089732168 915571997 /nfs/dbraw/zinc/57/19/97/915571997.db2.gz NUELWUOMNWCXKD-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732168 915572008 /nfs/dbraw/zinc/57/20/08/915572008.db2.gz NUELWUOMNWCXKD-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135976778 930586173 /nfs/dbraw/zinc/58/61/73/930586173.db2.gz NQADSGCXBHFJFK-CHWSQXEVSA-N 1 3 255.406 1.387 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180158006 916186481 /nfs/dbraw/zinc/18/64/81/916186481.db2.gz CBNDLFDNHBCEBI-UHFFFAOYSA-N 1 3 290.411 1.550 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001485353522 916875990 /nfs/dbraw/zinc/87/59/90/916875990.db2.gz VSMYFPLNUHYSGE-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001485353522 916876001 /nfs/dbraw/zinc/87/60/01/916876001.db2.gz VSMYFPLNUHYSGE-KGLIPLIRSA-N 1 3 269.433 1.729 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183268325 918419702 /nfs/dbraw/zinc/41/97/02/918419702.db2.gz UDTPQUOPGZXXBY-KGLIPLIRSA-N 1 3 265.401 1.093 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183392576 918470725 /nfs/dbraw/zinc/47/07/25/918470725.db2.gz YLFUVKYZQHSSPF-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183392576 918470734 /nfs/dbraw/zinc/47/07/34/918470734.db2.gz YLFUVKYZQHSSPF-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001186074906 919856760 /nfs/dbraw/zinc/85/67/60/919856760.db2.gz KQZIUDOMGVDRDJ-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001078795374 920466756 /nfs/dbraw/zinc/46/67/56/920466756.db2.gz PTGXQIQZWGYROY-KBPBESRZSA-N 1 3 288.395 1.464 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996688 922366460 /nfs/dbraw/zinc/36/64/60/922366460.db2.gz HVZWHGWOIXUVBG-AWEZNQCLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190996688 922366471 /nfs/dbraw/zinc/36/64/71/922366471.db2.gz HVZWHGWOIXUVBG-AWEZNQCLSA-N 1 3 281.444 1.826 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342229 923015767 /nfs/dbraw/zinc/01/57/67/923015767.db2.gz AJGRYOIJQJNADF-GJZGRUSLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342229 923015778 /nfs/dbraw/zinc/01/57/78/923015778.db2.gz AJGRYOIJQJNADF-GJZGRUSLSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192344456 923020041 /nfs/dbraw/zinc/02/00/41/923020041.db2.gz XCNQFYRJFDCDPE-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192344456 923020056 /nfs/dbraw/zinc/02/00/56/923020056.db2.gz XCNQFYRJFDCDPE-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001080667388 924621164 /nfs/dbraw/zinc/62/11/64/924621164.db2.gz BLBHLNNKRHBUNI-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001080667388 924621169 /nfs/dbraw/zinc/62/11/69/924621169.db2.gz BLBHLNNKRHBUNI-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100901635 936944107 /nfs/dbraw/zinc/94/41/07/936944107.db2.gz GHCIMWPTHLODSI-UHFFFAOYSA-N 1 3 267.417 1.389 20 30 CDEDHO C#CCN1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101283903 936965994 /nfs/dbraw/zinc/96/59/94/936965994.db2.gz CDNCJMZXIXUQDT-PBHICJAKSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCN1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101283903 936965995 /nfs/dbraw/zinc/96/59/95/936965995.db2.gz CDNCJMZXIXUQDT-PBHICJAKSA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087952 937041571 /nfs/dbraw/zinc/04/15/71/937041571.db2.gz DRMLGYXBKSIQAM-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102087952 937041573 /nfs/dbraw/zinc/04/15/73/937041573.db2.gz DRMLGYXBKSIQAM-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052985 926193647 /nfs/dbraw/zinc/19/36/47/926193647.db2.gz IPJDWJJCHVPEMV-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550163 937146312 /nfs/dbraw/zinc/14/63/12/937146312.db2.gz BWHXPNQTAZJQPI-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550163 937146315 /nfs/dbraw/zinc/14/63/15/937146315.db2.gz BWHXPNQTAZJQPI-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCOC[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252491686 928727210 /nfs/dbraw/zinc/72/72/10/928727210.db2.gz UAPRFWGJYLXYPY-MELADBBJSA-N 1 3 256.390 1.012 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001252491686 928727217 /nfs/dbraw/zinc/72/72/17/928727217.db2.gz UAPRFWGJYLXYPY-MELADBBJSA-N 1 3 256.390 1.012 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC2CCCC2)CC1 ZINC001152323850 937353281 /nfs/dbraw/zinc/35/32/81/937353281.db2.gz FCBYBPSDOAYPHO-UHFFFAOYSA-N 1 3 291.439 1.228 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152427363 937361005 /nfs/dbraw/zinc/36/10/05/937361005.db2.gz XMRJJCFHGPDZQG-ZDUSSCGKSA-N 1 3 255.406 1.387 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171359552 932858996 /nfs/dbraw/zinc/85/89/96/932858996.db2.gz SIGQGNBBYVSHLE-CVEARBPZSA-N 1 3 295.471 1.861 20 30 CDEDHO C#CC[C@H](N)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582240 938914372 /nfs/dbraw/zinc/91/43/72/938914372.db2.gz JKSHRNBQGATGTC-INIZCTEOSA-N 1 3 297.402 1.001 20 30 CDEDHO CC[NH+](CC)CCNC(=N)Nc1nccc(C#N)c1F ZINC001163125673 939205562 /nfs/dbraw/zinc/20/55/62/939205562.db2.gz GPPBDSREYSEKIV-UHFFFAOYSA-N 1 3 278.335 1.370 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668351 939624878 /nfs/dbraw/zinc/62/48/78/939624878.db2.gz ZPHHIAPRVZALOP-NSHDSACASA-N 1 3 273.808 1.177 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274499 940009708 /nfs/dbraw/zinc/00/97/08/940009708.db2.gz IOTDUVAQPVHYGV-HNNXBMFYSA-N 1 3 293.455 1.733 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631619 940620220 /nfs/dbraw/zinc/62/02/20/940620220.db2.gz FZTHSQUZMKSEHH-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209691781 940626743 /nfs/dbraw/zinc/62/67/43/940626743.db2.gz YHYOOTORNWCGJR-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837307 940645212 /nfs/dbraw/zinc/64/52/12/940645212.db2.gz PIAKONKJEXDAKZ-ZDUSSCGKSA-N 1 3 276.384 1.499 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211344019 940748180 /nfs/dbraw/zinc/74/81/80/940748180.db2.gz XWBZMSWBOMWHQI-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001214997947 940851279 /nfs/dbraw/zinc/85/12/79/940851279.db2.gz OUKDIRXEDWEKJQ-ZIAGYGMSSA-N 1 3 279.428 1.177 20 30 CDEDHO N#Cc1c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])sc2c1CCNC2 ZINC001218554724 941235622 /nfs/dbraw/zinc/23/56/22/941235622.db2.gz WOEGBGWTKIJREB-MWLCHTKSSA-N 1 3 290.392 1.331 20 30 CDEDHO CC(C)C[C@H](C#N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220702788 941465184 /nfs/dbraw/zinc/46/51/84/941465184.db2.gz JQSOOZDTEXGVAA-KGLIPLIRSA-N 1 3 282.432 1.536 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001228064632 942263969 /nfs/dbraw/zinc/26/39/69/942263969.db2.gz KEAFXNWDACZXMP-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001229186467 942429705 /nfs/dbraw/zinc/42/97/05/942429705.db2.gz WOYGVRHSXIATHX-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001229254109 942440666 /nfs/dbraw/zinc/44/06/66/942440666.db2.gz PRMMUKSONFOKJG-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN(CC)CC)CC1 ZINC001229664554 942506885 /nfs/dbraw/zinc/50/68/85/942506885.db2.gz RCJFOGSAPSQZPL-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CCOCC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230367044 942612295 /nfs/dbraw/zinc/61/22/95/942612295.db2.gz PNHAJDJYSARMTO-UHFFFAOYSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001340882259 956754845 /nfs/dbraw/zinc/75/48/45/956754845.db2.gz XCLPWAMHHIBMJN-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001340882259 956754855 /nfs/dbraw/zinc/75/48/55/956754855.db2.gz XCLPWAMHHIBMJN-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370517495 960135292 /nfs/dbraw/zinc/13/52/92/960135292.db2.gz KUECZBVGZOCWST-HAQNSBGRSA-N 1 3 273.808 1.318 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001340471196 962950962 /nfs/dbraw/zinc/95/09/62/962950962.db2.gz IYOVVSUDLAGVKT-XQQFMLRXSA-N 1 3 253.390 1.113 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719134 963090446 /nfs/dbraw/zinc/09/04/46/963090446.db2.gz KYCQQQABUFLMFN-CHWSQXEVSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001340719134 963090457 /nfs/dbraw/zinc/09/04/57/963090457.db2.gz KYCQQQABUFLMFN-CHWSQXEVSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001341435037 963412853 /nfs/dbraw/zinc/41/28/53/963412853.db2.gz QLENKDBGNLIXRU-SGMGOOAPSA-N 1 3 251.374 1.010 20 30 CDEDHO C[C@@H](CCNCCC(=O)Nc1cccc(C#N)c1)[NH+](C)C ZINC001356594240 969439710 /nfs/dbraw/zinc/43/97/10/969439710.db2.gz CGHJDXQSWFYBMS-ZDUSSCGKSA-N 1 3 288.395 1.817 20 30 CDEDHO C[C@@H](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)N(C)C ZINC001356594240 969439711 /nfs/dbraw/zinc/43/97/11/969439711.db2.gz CGHJDXQSWFYBMS-ZDUSSCGKSA-N 1 3 288.395 1.817 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001402503082 976322860 /nfs/dbraw/zinc/32/28/60/976322860.db2.gz PQYZICKKCWMZKB-HAQNSBGRSA-N 1 3 285.819 1.460 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133276187 1163623858 /nfs/dbraw/zinc/62/38/58/1163623858.db2.gz ZTGRZIZTOODQLU-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C[C@H](CCNC(=O)[C@@H](N)CCCC#N)[NH+]1CCCCC1 ZINC001575962537 1171304587 /nfs/dbraw/zinc/30/45/87/1171304587.db2.gz SWCQKQMQBZHFQS-KGLIPLIRSA-N 1 3 280.416 1.388 20 30 CDEDHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC001576117417 1171335513 /nfs/dbraw/zinc/33/55/13/1171335513.db2.gz OGYQWJOKOAQRCT-AVGNSLFASA-N 1 3 251.374 1.100 20 30 CDEDHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570836 342637123 /nfs/dbraw/zinc/63/71/23/342637123.db2.gz VIEUDRNKUUESSQ-CZUORRHYSA-N 1 3 299.422 1.510 20 30 CDEDHO C[C@@H]1CN(CCCC#N)CCN1C1CC[NH+](C)CC1 ZINC000355028412 365845842 /nfs/dbraw/zinc/84/58/42/365845842.db2.gz GOWXISDLKQYJRF-CQSZACIVSA-N 1 3 264.417 1.390 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672019 347723084 /nfs/dbraw/zinc/72/30/84/347723084.db2.gz NJMOOYCQWLHGPH-CABCVRRESA-N 1 3 264.417 1.296 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264071192 362957959 /nfs/dbraw/zinc/95/79/59/362957959.db2.gz DIGBHMYUKWFWDW-UHFFFAOYSA-N 1 3 290.411 1.607 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(O)cc1 ZINC000264100455 362966642 /nfs/dbraw/zinc/96/66/42/362966642.db2.gz MTXDZKCYUGZCOO-ZDUSSCGKSA-N 1 3 276.384 1.281 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200000 360085079 /nfs/dbraw/zinc/08/50/79/360085079.db2.gz VHXRVILWRMUOPP-INIZCTEOSA-N 1 3 291.439 1.651 20 30 CDEDHO CN(C)C(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000170911497 365161218 /nfs/dbraw/zinc/16/12/18/365161218.db2.gz YHLUZQSUJNDJGF-GFCCVEGCSA-N 1 3 280.441 1.836 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000302946738 367025629 /nfs/dbraw/zinc/02/56/29/367025629.db2.gz CTRQIGMCTMPKOV-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358502882 367731869 /nfs/dbraw/zinc/73/18/69/367731869.db2.gz CRXNDDFWBGEZOD-UHFFFAOYSA-N 1 3 277.412 1.263 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000417528388 377858098 /nfs/dbraw/zinc/85/80/98/377858098.db2.gz OEPLGHPPQILHET-AWEZNQCLSA-N 1 3 294.443 1.407 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)s1 ZINC000104177944 390487039 /nfs/dbraw/zinc/48/70/39/390487039.db2.gz NWLIZCRYDZEADF-NSHDSACASA-N 1 3 281.429 1.340 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)CCC[NH3+])C(C)C ZINC000269234570 132138417 /nfs/dbraw/zinc/13/84/17/132138417.db2.gz KZVASJRZHJOFIC-AWEZNQCLSA-N 1 3 267.417 1.540 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000660703805 413393142 /nfs/dbraw/zinc/39/31/42/413393142.db2.gz HEXPOAZMODWPLP-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000660703805 413393152 /nfs/dbraw/zinc/39/31/52/413393152.db2.gz HEXPOAZMODWPLP-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787164 413664407 /nfs/dbraw/zinc/66/44/07/413664407.db2.gz FBBDWGHBOSCGQQ-GJZGRUSLSA-N 1 3 279.428 1.472 20 30 CDEDHO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787164 413664417 /nfs/dbraw/zinc/66/44/17/413664417.db2.gz FBBDWGHBOSCGQQ-GJZGRUSLSA-N 1 3 279.428 1.472 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000365488972 262367506 /nfs/dbraw/zinc/36/75/06/262367506.db2.gz FFDGMSYLPWEJAY-CBBWQLFWSA-N 1 3 263.385 1.522 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000365488972 262367507 /nfs/dbraw/zinc/36/75/07/262367507.db2.gz FFDGMSYLPWEJAY-CBBWQLFWSA-N 1 3 263.385 1.522 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000340186205 263084383 /nfs/dbraw/zinc/08/43/83/263084383.db2.gz ZLKFWELXCLSIIA-KBPBESRZSA-N 1 3 267.417 1.539 20 30 CDEDHO C=CCOc1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000415141950 263277281 /nfs/dbraw/zinc/27/72/81/263277281.db2.gz OSVWOPMUWGTART-UHFFFAOYSA-N 1 3 276.380 1.537 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000165197373 264122417 /nfs/dbraw/zinc/12/24/17/264122417.db2.gz WTEPABFTOGYIHN-MRXNPFEDSA-N 1 3 293.455 1.801 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccncc1 ZINC000267405309 328178429 /nfs/dbraw/zinc/17/84/29/328178429.db2.gz GWPVNXHCNZTIIH-AWEZNQCLSA-N 1 3 275.400 1.013 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000171734773 329079461 /nfs/dbraw/zinc/07/94/61/329079461.db2.gz IRHNLSIPKVGWOB-ZDUSSCGKSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000171734773 329079462 /nfs/dbraw/zinc/07/94/62/329079462.db2.gz IRHNLSIPKVGWOB-ZDUSSCGKSA-N 1 3 294.443 1.419 20 30 CDEDHO COC1CCN(C(C)(C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000262513858 330019071 /nfs/dbraw/zinc/01/90/71/330019071.db2.gz FLPURMPYCUVOJE-UHFFFAOYSA-N 1 3 284.448 1.355 20 30 CDEDHO C#CCNC(NCC(C)(C)N1CCC[C@H](C)C1)=[NH+]CC ZINC000262627852 330023308 /nfs/dbraw/zinc/02/33/08/330023308.db2.gz UDWGRNCBOZRUAD-AWEZNQCLSA-N 1 3 278.444 1.685 20 30 CDEDHO C#CCNC(NC[C@H](C)N1CCC[C@@H](C)C1)=[NH+]CC ZINC000262636105 330023729 /nfs/dbraw/zinc/02/37/29/330023729.db2.gz ZNGIUSGNYXHIKU-KGLIPLIRSA-N 1 3 264.417 1.295 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](OC)C12CCC2 ZINC000263176770 330047464 /nfs/dbraw/zinc/04/74/64/330047464.db2.gz SUVLUXQHTPOZDZ-RDBSUJKOSA-N 1 3 294.443 1.333 20 30 CDEDHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](N)CCCC#N ZINC000424132130 330264254 /nfs/dbraw/zinc/26/42/54/330264254.db2.gz KKLQZTVTPLXKCM-GJZGRUSLSA-N 1 3 294.443 1.778 20 30 CDEDHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](N)CCCC#N ZINC000424132130 330264256 /nfs/dbraw/zinc/26/42/56/330264256.db2.gz KKLQZTVTPLXKCM-GJZGRUSLSA-N 1 3 294.443 1.778 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000424197123 330325548 /nfs/dbraw/zinc/32/55/48/330325548.db2.gz NLBRTHRHZKKCQF-HUUCEWRRSA-N 1 3 288.395 1.604 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000490574848 332092832 /nfs/dbraw/zinc/09/28/32/332092832.db2.gz BVIJEIPNTWUFDI-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000490651662 332100017 /nfs/dbraw/zinc/10/00/17/332100017.db2.gz UXZGNCOJTBXXII-INIZCTEOSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000490651662 332100019 /nfs/dbraw/zinc/10/00/19/332100019.db2.gz UXZGNCOJTBXXII-INIZCTEOSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000491209480 332166157 /nfs/dbraw/zinc/16/61/57/332166157.db2.gz HVDBBORGSLXGFH-ARFHVFGLSA-N 1 3 263.429 1.404 20 30 CDEDHO C#C[C@@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000491818010 332368398 /nfs/dbraw/zinc/36/83/98/332368398.db2.gz WQPZXMLGANIXSW-OAHLLOKOSA-N 1 3 251.418 1.356 20 30 CDEDHO C#C[C@@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000491818010 332368400 /nfs/dbraw/zinc/36/84/00/332368400.db2.gz WQPZXMLGANIXSW-OAHLLOKOSA-N 1 3 251.418 1.356 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001732435147 1160578190 /nfs/dbraw/zinc/57/81/90/1160578190.db2.gz FNELZSCYGJFMTN-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069681199 521691688 /nfs/dbraw/zinc/69/16/88/521691688.db2.gz AMXFYQNZGXVCOA-HNNXBMFYSA-N 1 3 286.423 1.674 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000764608135 575925529 /nfs/dbraw/zinc/92/55/29/575925529.db2.gz BNURSJFPZCNCRK-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC000960180605 613564611 /nfs/dbraw/zinc/56/46/11/613564611.db2.gz IHGNJQVKHWCWPP-XUWVNRHRSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC000960180605 613564614 /nfs/dbraw/zinc/56/46/14/613564614.db2.gz IHGNJQVKHWCWPP-XUWVNRHRSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961960437 613840129 /nfs/dbraw/zinc/84/01/29/613840129.db2.gz OWUZSMLEINRWSM-CAOSSQGBSA-N 1 3 291.439 1.483 20 30 CDEDHO C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)[C@H]1CCCO1 ZINC000926210215 617544658 /nfs/dbraw/zinc/54/46/58/617544658.db2.gz LHFUDDFWAJMTAF-LDBYLJPUSA-N 1 3 292.423 1.399 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674588 629404993 /nfs/dbraw/zinc/40/49/93/629404993.db2.gz VGAKANAQTVJYHD-UONOGXRCSA-N 1 3 269.433 1.933 20 30 CDEDHO C=CC[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001753575106 1159854121 /nfs/dbraw/zinc/85/41/21/1159854121.db2.gz LDKIVYIOCRNHKF-UHFFFAOYSA-N 1 3 279.428 1.487 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132884809 1163499523 /nfs/dbraw/zinc/49/95/23/1163499523.db2.gz WGUBTUMDCSSODJ-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[C@]1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516394 1170990895 /nfs/dbraw/zinc/99/08/95/1170990895.db2.gz FNWZRQNICLGHLT-WMLDXEAASA-N 1 3 291.439 1.369 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001753897595 1185385419 /nfs/dbraw/zinc/38/54/19/1185385419.db2.gz LTRMSSZQDXDRFV-UONOGXRCSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001754604578 1185679648 /nfs/dbraw/zinc/67/96/48/1185679648.db2.gz PLIZMPJRHTVICT-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001754826036 1185742473 /nfs/dbraw/zinc/74/24/73/1185742473.db2.gz UITBIHXBHCFRJA-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001755388930 1185939061 /nfs/dbraw/zinc/93/90/61/1185939061.db2.gz MAVPUDRLEXAWSN-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001755388930 1185939065 /nfs/dbraw/zinc/93/90/65/1185939065.db2.gz MAVPUDRLEXAWSN-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC=C)C2)CC1 ZINC001755483876 1185965799 /nfs/dbraw/zinc/96/57/99/1185965799.db2.gz ZQTJLDJKYIPLEP-KOMQPUFPSA-N 1 3 289.423 1.002 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001755676509 1186033961 /nfs/dbraw/zinc/03/39/61/1186033961.db2.gz QFNVLBAYWSCHLM-UONOGXRCSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005185130 736353743 /nfs/dbraw/zinc/35/37/43/736353743.db2.gz QPEPUUQIZZHQFH-HNNXBMFYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001002143796 736781731 /nfs/dbraw/zinc/78/17/31/736781731.db2.gz CKVJACPMNKDYKR-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990761255 736762100 /nfs/dbraw/zinc/76/21/00/736762100.db2.gz IGDUFBOQOZCLGY-AIANPOQGSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990761255 736762108 /nfs/dbraw/zinc/76/21/08/736762108.db2.gz IGDUFBOQOZCLGY-AIANPOQGSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC000987252299 736868745 /nfs/dbraw/zinc/86/87/45/736868745.db2.gz FDNCJAXZPRIZLJ-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CCN1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045622414 737072469 /nfs/dbraw/zinc/07/24/69/737072469.db2.gz ATOBEEBWVSLJJP-UHFFFAOYSA-N 1 3 289.423 1.076 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000261979810 738477474 /nfs/dbraw/zinc/47/74/74/738477474.db2.gz HLTJWPHRXNQYNB-NEPJUHHUSA-N 1 3 254.422 1.810 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001020146184 737341348 /nfs/dbraw/zinc/34/13/48/737341348.db2.gz XCNGGOBDSDHIOP-IHRRRGAJSA-N 1 3 265.401 1.282 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824404 737423127 /nfs/dbraw/zinc/42/31/27/737423127.db2.gz FSLHDHKUZXPNRR-ZBFHGGJFSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001824404 737423141 /nfs/dbraw/zinc/42/31/41/737423141.db2.gz FSLHDHKUZXPNRR-ZBFHGGJFSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000676273 737625652 /nfs/dbraw/zinc/62/56/52/737625652.db2.gz BNZIDCZDNCQHCH-INIZCTEOSA-N 1 3 291.439 1.794 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000676273 737625654 /nfs/dbraw/zinc/62/56/54/737625654.db2.gz BNZIDCZDNCQHCH-INIZCTEOSA-N 1 3 291.439 1.794 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044749729 737749024 /nfs/dbraw/zinc/74/90/24/737749024.db2.gz LFDKKUMFBBNTKR-NEPJUHHUSA-N 1 3 262.357 1.107 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339789 737808229 /nfs/dbraw/zinc/80/82/29/737808229.db2.gz JVXAYOVGVMKCPF-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038339789 737808230 /nfs/dbraw/zinc/80/82/30/737808230.db2.gz JVXAYOVGVMKCPF-CVEARBPZSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034012226 737840774 /nfs/dbraw/zinc/84/07/74/737840774.db2.gz CPFVVAUDYAXZRV-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728972 737905133 /nfs/dbraw/zinc/90/51/33/737905133.db2.gz FEVGTYIUKUIRHV-INIZCTEOSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728972 737905140 /nfs/dbraw/zinc/90/51/40/737905140.db2.gz FEVGTYIUKUIRHV-INIZCTEOSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606793 738032376 /nfs/dbraw/zinc/03/23/76/738032376.db2.gz VBFKCVRJSRQBNF-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782013 738114207 /nfs/dbraw/zinc/11/42/07/738114207.db2.gz VDPDNDUWAUDZAJ-ZVDSWSACSA-N 1 3 289.423 1.093 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782013 738114213 /nfs/dbraw/zinc/11/42/13/738114213.db2.gz VDPDNDUWAUDZAJ-ZVDSWSACSA-N 1 3 289.423 1.093 20 30 CDEDHO C=C(Cl)CN[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817903397 738314238 /nfs/dbraw/zinc/31/42/38/738314238.db2.gz BMCPHYQZCVQLOV-NSHDSACASA-N 1 3 274.792 1.650 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001048888714 738625845 /nfs/dbraw/zinc/62/58/45/738625845.db2.gz VKZNAKYFLNHQCV-QLFBSQMISA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C1 ZINC001048888714 738625858 /nfs/dbraw/zinc/62/58/58/738625858.db2.gz VKZNAKYFLNHQCV-QLFBSQMISA-N 1 3 279.428 1.293 20 30 CDEDHO N#Cc1ccc(NCCN[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000925893897 738638114 /nfs/dbraw/zinc/63/81/14/738638114.db2.gz RWWTXEBELGKGEW-STQMWFEESA-N 1 3 259.357 1.225 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001005478018 738742137 /nfs/dbraw/zinc/74/21/37/738742137.db2.gz SYDWEQBQDRKXDP-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001005478018 738742141 /nfs/dbraw/zinc/74/21/41/738742141.db2.gz SYDWEQBQDRKXDP-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818368 738869085 /nfs/dbraw/zinc/86/90/85/738869085.db2.gz BDGHDTFCMTVKNS-AALSBFMBSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818368 738869086 /nfs/dbraw/zinc/86/90/86/738869086.db2.gz BDGHDTFCMTVKNS-AALSBFMBSA-N 1 3 289.423 1.236 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOC1CCCC1 ZINC000170908347 739085295 /nfs/dbraw/zinc/08/52/95/739085295.db2.gz JXSRYWQSACHQBA-CYBMUJFWSA-N 1 3 282.432 1.334 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518873 736665639 /nfs/dbraw/zinc/66/56/39/736665639.db2.gz BANLPGAXXYDLGM-HNNXBMFYSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036225468 736747513 /nfs/dbraw/zinc/74/75/13/736747513.db2.gz OTXMFPDKEHCRLF-HOTGVXAUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999683116 738934508 /nfs/dbraw/zinc/93/45/08/738934508.db2.gz WKHASLNDZNVAEZ-HSBZDZAISA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999683116 738934516 /nfs/dbraw/zinc/93/45/16/738934516.db2.gz WKHASLNDZNVAEZ-HSBZDZAISA-N 1 3 299.846 1.660 20 30 CDEDHO C#CCN1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041680718 737586571 /nfs/dbraw/zinc/58/65/71/737586571.db2.gz VBMPMWXTGAATKI-DOTOQJQBSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCN1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041680718 737586573 /nfs/dbraw/zinc/58/65/73/737586573.db2.gz VBMPMWXTGAATKI-DOTOQJQBSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001333 738211277 /nfs/dbraw/zinc/21/12/77/738211277.db2.gz VEUDRUHCPXQZLR-MRXNPFEDSA-N 1 3 299.418 1.433 20 30 CDEDHO C#CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001333 738211284 /nfs/dbraw/zinc/21/12/84/738211284.db2.gz VEUDRUHCPXQZLR-MRXNPFEDSA-N 1 3 299.418 1.433 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033835329 738272796 /nfs/dbraw/zinc/27/27/96/738272796.db2.gz YECGRKTZQHOJJO-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033835329 738272802 /nfs/dbraw/zinc/27/28/02/738272802.db2.gz YECGRKTZQHOJJO-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)CNCC2 ZINC001574961259 1167643643 /nfs/dbraw/zinc/64/36/43/1167643643.db2.gz ZIKAQTVLSVNJCA-JQWIXIFHSA-N 1 3 279.409 1.470 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265547 913519835 /nfs/dbraw/zinc/51/98/35/913519835.db2.gz ZTAGETQZKCKQQH-CVEARBPZSA-N 1 3 293.455 1.616 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176760275 914260913 /nfs/dbraw/zinc/26/09/13/914260913.db2.gz SOHJSARZDZCVEB-HNNXBMFYSA-N 1 3 281.444 1.615 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001027451965 900504992 /nfs/dbraw/zinc/50/49/92/900504992.db2.gz JAVWBZHJDVSXHO-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001027451965 900504997 /nfs/dbraw/zinc/50/49/97/900504997.db2.gz JAVWBZHJDVSXHO-CABCVRRESA-N 1 3 281.444 1.681 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327092 906903993 /nfs/dbraw/zinc/90/39/93/906903993.db2.gz FWKUGAAJUMDPNL-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205462456 921620410 /nfs/dbraw/zinc/62/04/10/921620410.db2.gz YVYJQJRNQMVNPV-MRXNPFEDSA-N 1 3 293.455 1.731 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)[C@H]1C ZINC001178813257 915636844 /nfs/dbraw/zinc/63/68/44/915636844.db2.gz DIGMKYGDQPYHIH-KKUMJFAQSA-N 1 3 297.418 1.269 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853198 915662897 /nfs/dbraw/zinc/66/28/97/915662897.db2.gz DGRDHMFJZAWSHI-UHFFFAOYSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755239 917342245 /nfs/dbraw/zinc/34/22/45/917342245.db2.gz KURSTMUDGMARAE-FRFSOERESA-N 1 3 291.439 1.034 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183267797 918420216 /nfs/dbraw/zinc/42/02/16/918420216.db2.gz NFWFWRKQZSDSQE-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001486247965 920838122 /nfs/dbraw/zinc/83/81/22/920838122.db2.gz QGDRDEYXRFUQFG-KGLIPLIRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034363579 922614953 /nfs/dbraw/zinc/61/49/53/922614953.db2.gz PAFBUJZYOHPWAP-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034363579 922614961 /nfs/dbraw/zinc/61/49/61/922614961.db2.gz PAFBUJZYOHPWAP-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047350 937039692 /nfs/dbraw/zinc/03/96/92/937039692.db2.gz CUXFPFUEKFFYAT-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047350 937039695 /nfs/dbraw/zinc/03/96/95/937039695.db2.gz CUXFPFUEKFFYAT-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927625 926513539 /nfs/dbraw/zinc/51/35/39/926513539.db2.gz BXRWFVRCVYJNAF-AWEZNQCLSA-N 1 3 277.412 1.191 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831451 928657264 /nfs/dbraw/zinc/65/72/64/928657264.db2.gz FUYBIMICJYFPJK-JYJNAYRXSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584866 929798953 /nfs/dbraw/zinc/79/89/53/929798953.db2.gz XRISWULTUROXMN-QWHCGFSZSA-N 1 3 267.417 1.530 20 30 CDEDHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001253405137 930466502 /nfs/dbraw/zinc/46/65/02/930466502.db2.gz PZBRVUVFRUKUEQ-XQQFMLRXSA-N 1 3 253.390 1.407 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593000 932267560 /nfs/dbraw/zinc/26/75/60/932267560.db2.gz LRXDDKZMMOBFFR-OLZOCXBDSA-N 1 3 289.851 1.952 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019337388 935701775 /nfs/dbraw/zinc/70/17/75/935701775.db2.gz HRCHNLLEVHIJMN-UONOGXRCSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])C[C@@H](C)CC)CC1 ZINC001121998374 937897635 /nfs/dbraw/zinc/89/76/35/937897635.db2.gz XLHMCOJRBCWJHH-JSGCOSHPSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001122384009 937927483 /nfs/dbraw/zinc/92/74/83/937927483.db2.gz HMCZVWHGCCVCOO-CYBMUJFWSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001122384009 937927485 /nfs/dbraw/zinc/92/74/85/937927485.db2.gz HMCZVWHGCCVCOO-CYBMUJFWSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158337162 938610640 /nfs/dbraw/zinc/61/06/40/938610640.db2.gz GLAZHWLIRUQVMR-QWHCGFSZSA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158337162 938610642 /nfs/dbraw/zinc/61/06/42/938610642.db2.gz GLAZHWLIRUQVMR-QWHCGFSZSA-N 1 3 287.835 1.565 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793745 939705050 /nfs/dbraw/zinc/70/50/50/939705050.db2.gz TVQLFMNWGRYJTJ-GJZGRUSLSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208333914 940320534 /nfs/dbraw/zinc/32/05/34/940320534.db2.gz AGVTZWOIALIYET-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414082 940329150 /nfs/dbraw/zinc/32/91/50/940329150.db2.gz HMMJLKORBHLMOQ-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209632976 940620550 /nfs/dbraw/zinc/62/05/50/940620550.db2.gz QNAPSSDQAZAOOC-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847929 940840463 /nfs/dbraw/zinc/84/04/63/940840463.db2.gz ZCIGXWIHMNXBTO-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216511536 940943417 /nfs/dbraw/zinc/94/34/17/940943417.db2.gz SNRBXGLYQJBJKW-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(C#N)CCC1 ZINC001219608352 941364387 /nfs/dbraw/zinc/36/43/87/941364387.db2.gz VYRGWDIWXOSVQW-LBPRGKRZSA-N 1 3 266.389 1.044 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221774196 941550438 /nfs/dbraw/zinc/55/04/38/941550438.db2.gz YEHODWQMWJDGOO-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN(C)CCC)CC1 ZINC001225228753 941831110 /nfs/dbraw/zinc/83/11/10/941831110.db2.gz YEZWUEQFNHITOW-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO CN1CC2(C1)CC[NH+](CCOc1ccccc1C#N)CC2 ZINC001277595898 943084339 /nfs/dbraw/zinc/08/43/39/943084339.db2.gz JNNKGCMVCNZLBA-UHFFFAOYSA-N 1 3 285.391 1.965 20 30 CDEDHO C[NH+]1CC2(C1)CCN(CCOc1ccccc1C#N)CC2 ZINC001277595898 943084347 /nfs/dbraw/zinc/08/43/47/943084347.db2.gz JNNKGCMVCNZLBA-UHFFFAOYSA-N 1 3 285.391 1.965 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC001263098696 943743038 /nfs/dbraw/zinc/74/30/38/943743038.db2.gz LDYJVYUJRBFWGK-OLZOCXBDSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC001263098696 943743040 /nfs/dbraw/zinc/74/30/40/943743040.db2.gz LDYJVYUJRBFWGK-OLZOCXBDSA-N 1 3 255.406 1.517 20 30 CDEDHO N#Cc1ccc(CCN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235992696 944358843 /nfs/dbraw/zinc/35/88/43/944358843.db2.gz LSTRQKCVJOBGMA-XYPWUTKMSA-N 1 3 271.364 1.006 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001262570643 946722848 /nfs/dbraw/zinc/72/28/48/946722848.db2.gz AWYKFEWSTHMOQS-CYBMUJFWSA-N 1 3 280.416 1.017 20 30 CDEDHO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254664256 947582545 /nfs/dbraw/zinc/58/25/45/947582545.db2.gz GSKIDTZCDHEWQV-ZIAGYGMSSA-N 1 3 281.400 1.495 20 30 CDEDHO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254664256 947582551 /nfs/dbraw/zinc/58/25/51/947582551.db2.gz GSKIDTZCDHEWQV-ZIAGYGMSSA-N 1 3 281.400 1.495 20 30 CDEDHO C=C[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253585392 951974948 /nfs/dbraw/zinc/97/49/48/951974948.db2.gz XCWNVNYNNAXWHV-DLBZAZTESA-N 1 3 274.408 1.987 20 30 CDEDHO C=C[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253585392 951974953 /nfs/dbraw/zinc/97/49/53/951974953.db2.gz XCWNVNYNNAXWHV-DLBZAZTESA-N 1 3 274.408 1.987 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001340709340 963082700 /nfs/dbraw/zinc/08/27/00/963082700.db2.gz OADKIFKCKCMXKL-RRFJBIMHSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001340709340 963082716 /nfs/dbraw/zinc/08/27/16/963082716.db2.gz OADKIFKCKCMXKL-RRFJBIMHSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001340709340 963082731 /nfs/dbraw/zinc/08/27/31/963082731.db2.gz OADKIFKCKCMXKL-RRFJBIMHSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001341673103 963505635 /nfs/dbraw/zinc/50/56/35/963505635.db2.gz WPKTUAJZLPDSMD-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001341673103 963505643 /nfs/dbraw/zinc/50/56/43/963505643.db2.gz WPKTUAJZLPDSMD-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001341673105 963505969 /nfs/dbraw/zinc/50/59/69/963505969.db2.gz WPKTUAJZLPDSMD-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001341673105 963505973 /nfs/dbraw/zinc/50/59/73/963505973.db2.gz WPKTUAJZLPDSMD-ZIAGYGMSSA-N 1 3 267.417 1.518 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590474 964372437 /nfs/dbraw/zinc/37/24/37/964372437.db2.gz NCMAXEICDILCEO-GFCCVEGCSA-N 1 3 258.325 1.249 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678691 968933013 /nfs/dbraw/zinc/93/30/13/968933013.db2.gz TYGCXBBJHQGFPI-NFOMZHRRSA-N 1 3 279.428 1.389 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NCC1C[NH2+]C1 ZINC001357443047 969589655 /nfs/dbraw/zinc/58/96/55/969589655.db2.gz CVQJDKNABOWFJG-ZDUSSCGKSA-N 1 3 255.406 1.400 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001357491376 969608004 /nfs/dbraw/zinc/60/80/04/969608004.db2.gz XDVVVTDSMCDYET-DZGCQCFKSA-N 1 3 281.444 1.859 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001521464248 970299332 /nfs/dbraw/zinc/29/93/32/970299332.db2.gz RIXFUCKLTBLTPZ-CABCVRRESA-N 1 3 279.428 1.757 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274166 1163622504 /nfs/dbraw/zinc/62/25/04/1163622504.db2.gz CJJTZSZSZSVLRN-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccsc1 ZINC000264072903 362958021 /nfs/dbraw/zinc/95/80/21/362958021.db2.gz DPJKELMMHAYPFJ-LBPRGKRZSA-N 1 3 266.414 1.637 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)s1 ZINC000264088578 362963623 /nfs/dbraw/zinc/96/36/23/362963623.db2.gz KIULEVOQCMAVSM-GFCCVEGCSA-N 1 3 280.441 1.945 20 30 CDEDHO N#Cc1cccc(CN2CCC(OCCC[NH3+])CC2)c1 ZINC000094070352 351351187 /nfs/dbraw/zinc/35/11/87/351351187.db2.gz DIUKUXIXWUCEIJ-UHFFFAOYSA-N 1 3 273.380 1.888 20 30 CDEDHO C=CCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711793 357408701 /nfs/dbraw/zinc/40/87/01/357408701.db2.gz UOVSNANMBIMNAE-KRWDZBQOSA-N 1 3 290.407 1.416 20 30 CDEDHO C=CCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711793 357408704 /nfs/dbraw/zinc/40/87/04/357408704.db2.gz UOVSNANMBIMNAE-KRWDZBQOSA-N 1 3 290.407 1.416 20 30 CDEDHO CC(C)[NH+](CCCNC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000575057065 335059885 /nfs/dbraw/zinc/05/98/85/335059885.db2.gz ATVKRJYFTYDSEH-AWEZNQCLSA-N 1 3 282.432 1.633 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000262690840 131251272 /nfs/dbraw/zinc/25/12/72/131251272.db2.gz ZKETVNLKVABJOF-HRCADAONSA-N 1 3 293.455 1.929 20 30 CDEDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N(C)CCC#N ZINC000092800133 260272274 /nfs/dbraw/zinc/27/22/74/260272274.db2.gz OFXFMUIXCKIROZ-CABCVRRESA-N 1 3 292.427 1.307 20 30 CDEDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N(C)CCC#N ZINC000092800133 260272276 /nfs/dbraw/zinc/27/22/76/260272276.db2.gz OFXFMUIXCKIROZ-CABCVRRESA-N 1 3 292.427 1.307 20 30 CDEDHO C=CCN1CC[C@H](N(C)C[C@@H]2CC[NH2+][C@H](C)C2)C1=O ZINC000414756362 263039346 /nfs/dbraw/zinc/03/93/46/263039346.db2.gz QOKZRWFEEKIQMY-MCIONIFRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000353436741 263052829 /nfs/dbraw/zinc/05/28/29/263052829.db2.gz IJYFQLUHHHDPKD-UHFFFAOYSA-N 1 3 294.443 1.374 20 30 CDEDHO C=CCN1CC[C@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291144 423917699 /nfs/dbraw/zinc/91/76/99/423917699.db2.gz BVCLQKDHNYSYPT-HOTGVXAUSA-N 1 3 291.439 1.485 20 30 CDEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000356999378 266229088 /nfs/dbraw/zinc/22/90/88/266229088.db2.gz BPUHODCCTXOJHU-HUUCEWRRSA-N 1 3 294.443 1.553 20 30 CDEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000356999378 266229089 /nfs/dbraw/zinc/22/90/89/266229089.db2.gz BPUHODCCTXOJHU-HUUCEWRRSA-N 1 3 294.443 1.553 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262380006 330011787 /nfs/dbraw/zinc/01/17/87/330011787.db2.gz 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/nfs/dbraw/zinc/15/16/44/332151644.db2.gz IXEOWYXGUYJXQI-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000491119561 332151645 /nfs/dbraw/zinc/15/16/45/332151645.db2.gz IXEOWYXGUYJXQI-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000491119561 332151647 /nfs/dbraw/zinc/15/16/47/332151647.db2.gz IXEOWYXGUYJXQI-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000177045469 333052907 /nfs/dbraw/zinc/05/29/07/333052907.db2.gz JZHMTCRFAHEZLA-DZGCQCFKSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177045469 333052909 /nfs/dbraw/zinc/05/29/09/333052909.db2.gz JZHMTCRFAHEZLA-DZGCQCFKSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000130457877 333843184 /nfs/dbraw/zinc/84/31/84/333843184.db2.gz SNKMFGRHHQXYFY-HZPDHXFCSA-N 1 3 293.455 1.801 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000565360314 334555714 /nfs/dbraw/zinc/55/57/14/334555714.db2.gz BOFIAUCPWXWUFT-BZUAXINKSA-N 1 3 293.455 1.799 20 30 CDEDHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CN1CCCC1 ZINC001755044976 1159512030 /nfs/dbraw/zinc/51/20/30/1159512030.db2.gz BAYGRMKGIYMULV-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=C(C)C[N@H+](C)CCCN(C)C(=O)CN1CCCC1 ZINC001755044976 1159512038 /nfs/dbraw/zinc/51/20/38/1159512038.db2.gz BAYGRMKGIYMULV-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000764429307 575906693 /nfs/dbraw/zinc/90/66/93/575906693.db2.gz ZENIWNZWXDZZQH-ZDUSSCGKSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000764429307 575906694 /nfs/dbraw/zinc/90/66/94/575906694.db2.gz ZENIWNZWXDZZQH-ZDUSSCGKSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981272905 612973066 /nfs/dbraw/zinc/97/30/66/612973066.db2.gz 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C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027575702 741026132 /nfs/dbraw/zinc/02/61/32/741026132.db2.gz CJRZUGATQXBHJJ-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027575702 741026135 /nfs/dbraw/zinc/02/61/35/741026135.db2.gz CJRZUGATQXBHJJ-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH+]1CC(CNC(=O)c2sccc2CN(C)C)C1 ZINC001031707242 741841985 /nfs/dbraw/zinc/84/19/85/741841985.db2.gz VFWHOTBDSUWTMO-UHFFFAOYSA-N 1 3 293.436 1.657 20 30 CDEDHO CN(C[C@@H](O)CC1(C#N)CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000886018495 739399836 /nfs/dbraw/zinc/39/98/36/739399836.db2.gz BDCNDPIKZFJJLJ-CABCVRRESA-N 1 3 279.428 1.705 20 30 CDEDHO CN(C[C@@H](O)CC1(C#N)CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000886018495 739399842 /nfs/dbraw/zinc/39/98/42/739399842.db2.gz BDCNDPIKZFJJLJ-CABCVRRESA-N 1 3 279.428 1.705 20 30 CDEDHO C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041378694 739507657 /nfs/dbraw/zinc/50/76/57/739507657.db2.gz KVQOHZUSEVIFIP-DOTOQJQBSA-N 1 3 291.439 1.130 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001007645148 739979486 /nfs/dbraw/zinc/97/94/86/739979486.db2.gz LRESCBGBGMTFGM-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001007645148 739979499 /nfs/dbraw/zinc/97/94/99/739979499.db2.gz LRESCBGBGMTFGM-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228878 740904522 /nfs/dbraw/zinc/90/45/22/740904522.db2.gz PBZGFCKPUILECY-HNNXBMFYSA-N 1 3 289.423 1.171 20 30 CDEDHO C=CCNC(=O)C[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886670624 741175119 /nfs/dbraw/zinc/17/51/19/741175119.db2.gz SHVWIMFMJHWQOZ-UHFFFAOYSA-N 1 3 276.384 1.508 20 30 CDEDHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCC#N)cc1 ZINC000817965904 741430668 /nfs/dbraw/zinc/43/06/68/741430668.db2.gz WWKQOFUCEAIRCT-IAQYHMDHSA-N 1 3 259.353 1.977 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200645 742039493 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C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986832 914413421 /nfs/dbraw/zinc/41/34/21/914413421.db2.gz WYRFBCMUYUPZNQ-AWEZNQCLSA-N 1 3 267.417 1.533 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022456 905830648 /nfs/dbraw/zinc/83/06/48/905830648.db2.gz PEFBEYNFOLYOFI-ZIAGYGMSSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168022456 905830662 /nfs/dbraw/zinc/83/06/62/905830662.db2.gz PEFBEYNFOLYOFI-ZIAGYGMSSA-N 1 3 299.846 1.852 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658298 909483061 /nfs/dbraw/zinc/48/30/61/909483061.db2.gz OQQGUHOGKIRARV-OAGGEKHMSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)[C@H](C)C1 ZINC001092658298 909483071 /nfs/dbraw/zinc/48/30/71/909483071.db2.gz OQQGUHOGKIRARV-OAGGEKHMSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094937570 911845424 /nfs/dbraw/zinc/84/54/24/911845424.db2.gz KVTCHCXIYSEFHJ-LZWOXQAQSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693642 915578013 /nfs/dbraw/zinc/57/80/13/915578013.db2.gz YUXJAKXFQVPJNM-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736083 917353903 /nfs/dbraw/zinc/35/39/03/917353903.db2.gz IBZHTSVKHWMMTE-RHSMWYFYSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001078795379 920466370 /nfs/dbraw/zinc/46/63/70/920466370.db2.gz PTGXQIQZWGYROY-ZIAGYGMSSA-N 1 3 288.395 1.464 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161206777 936678797 /nfs/dbraw/zinc/67/87/97/936678797.db2.gz NWOHWZBHJRPAGM-HNNXBMFYSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161206777 936678799 /nfs/dbraw/zinc/67/87/99/936678799.db2.gz NWOHWZBHJRPAGM-HNNXBMFYSA-N 1 3 291.439 1.795 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354490 923028498 /nfs/dbraw/zinc/02/84/98/923028498.db2.gz LZBTYFLZSAHBAK-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192354490 923028513 /nfs/dbraw/zinc/02/85/13/923028513.db2.gz LZBTYFLZSAHBAK-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266078 924140885 /nfs/dbraw/zinc/14/08/85/924140885.db2.gz KENABMJITRBQSI-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266078 924140890 /nfs/dbraw/zinc/14/08/90/924140890.db2.gz KENABMJITRBQSI-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943443 925510492 /nfs/dbraw/zinc/51/04/92/925510492.db2.gz CRGQUFJGFOFCGA-FPCVCCKLSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943443 925510497 /nfs/dbraw/zinc/51/04/97/925510497.db2.gz CRGQUFJGFOFCGA-FPCVCCKLSA-N 1 3 291.439 1.435 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201150110 926205684 /nfs/dbraw/zinc/20/56/84/926205684.db2.gz XDMTWUFWHLTUQS-HNNXBMFYSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531713 937064185 /nfs/dbraw/zinc/06/41/85/937064185.db2.gz BBLGTHGBENLHDH-TZMCWYRMSA-N 1 3 290.411 1.521 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531713 937064188 /nfs/dbraw/zinc/06/41/88/937064188.db2.gz BBLGTHGBENLHDH-TZMCWYRMSA-N 1 3 290.411 1.521 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435100 937141550 /nfs/dbraw/zinc/14/15/50/937141550.db2.gz PTYMKIOMZHKUON-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435100 937141551 /nfs/dbraw/zinc/14/15/51/937141551.db2.gz PTYMKIOMZHKUON-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979321 930579438 /nfs/dbraw/zinc/57/94/38/930579438.db2.gz FLBZHFRVBIVRFU-KBPBESRZSA-N 1 3 267.417 1.224 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247299 932119043 /nfs/dbraw/zinc/11/90/43/932119043.db2.gz LARDJQNZXUJDRP-GOEBONIOSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171254554 932143942 /nfs/dbraw/zinc/14/39/42/932143942.db2.gz UJFKYEAMBYMEJK-DZGCQCFKSA-N 1 3 281.444 1.777 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCF)CC1 ZINC001146614550 932271340 /nfs/dbraw/zinc/27/13/40/932271340.db2.gz YJEMASAPZPSSTI-KBPBESRZSA-N 1 3 297.418 1.174 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001120596034 937815657 /nfs/dbraw/zinc/81/56/57/937815657.db2.gz ADNBEBFSCGAHGV-AWEZNQCLSA-N 1 3 294.443 1.407 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001121971354 937895616 /nfs/dbraw/zinc/89/56/16/937895616.db2.gz ABQMRBFWLLVGRN-QLFBSQMISA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001121971354 937895618 /nfs/dbraw/zinc/89/56/18/937895618.db2.gz ABQMRBFWLLVGRN-QLFBSQMISA-N 1 3 279.428 1.613 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161220073 938879944 /nfs/dbraw/zinc/87/99/44/938879944.db2.gz SJAMKFWRHSWGJD-HNNXBMFYSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161220073 938879948 /nfs/dbraw/zinc/87/99/48/938879948.db2.gz SJAMKFWRHSWGJD-HNNXBMFYSA-N 1 3 289.423 1.100 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165727821 939575783 /nfs/dbraw/zinc/57/57/83/939575783.db2.gz IXDVCUIRZVLCBC-CYBMUJFWSA-N 1 3 267.417 1.389 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206275167 940010535 /nfs/dbraw/zinc/01/05/35/940010535.db2.gz PCUOGAJQMMFZRE-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331686 940320340 /nfs/dbraw/zinc/32/03/40/940320340.db2.gz VSYWDXQSXVGVLN-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339476 940321751 /nfs/dbraw/zinc/32/17/51/940321751.db2.gz AJLCJVTYKPYIMX-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C[N@@H+]1CCC[C@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611969 940351583 /nfs/dbraw/zinc/35/15/83/940351583.db2.gz YYZMHFJKRACNRG-WCQYABFASA-N 1 3 266.410 1.602 20 30 CDEDHO C[N@H+]1CCC[C@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611969 940351588 /nfs/dbraw/zinc/35/15/88/940351588.db2.gz YYZMHFJKRACNRG-WCQYABFASA-N 1 3 266.410 1.602 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210313972 940682495 /nfs/dbraw/zinc/68/24/95/940682495.db2.gz CSTFFMXNEHAGEI-ZFWWWQNUSA-N 1 3 266.385 1.570 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001216002718 940916129 /nfs/dbraw/zinc/91/61/29/940916129.db2.gz ZPPALWXRVCZVNC-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CC1(NC(=O)[C@@H](N)CCCC[NH+](C)C)CCCCC1 ZINC001221276194 941509203 /nfs/dbraw/zinc/50/92/03/941509203.db2.gz SRMGDIWIVKUJSV-AWEZNQCLSA-N 1 3 279.428 1.498 20 30 CDEDHO C=CC[C@@H](NC(=O)[C@H](N)CCC[NH3+])c1ccccc1 ZINC001221357431 941521757 /nfs/dbraw/zinc/52/17/57/941521757.db2.gz GWUQEQHNVHRSSW-ZIAGYGMSSA-N 1 3 261.369 1.486 20 30 CDEDHO C#CCCN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962837 941556393 /nfs/dbraw/zinc/55/63/93/941556393.db2.gz YZUFJDCEBQYMBX-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276979149 941766387 /nfs/dbraw/zinc/76/63/87/941766387.db2.gz WMQOHYJWHZHJGG-WMLDXEAASA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001316604419 942461981 /nfs/dbraw/zinc/46/19/81/942461981.db2.gz MASIXCZXFFVBOH-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001316604419 942461984 /nfs/dbraw/zinc/46/19/84/942461984.db2.gz MASIXCZXFFVBOH-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO N#CCC1CN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256854925 948434348 /nfs/dbraw/zinc/43/43/48/948434348.db2.gz AGUDNTRUELSTSW-UHFFFAOYSA-N 1 3 256.353 1.896 20 30 CDEDHO N#Cc1cc(F)cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247828219 948803261 /nfs/dbraw/zinc/80/32/61/948803261.db2.gz BRBWUMJFRFUWAV-LBPRGKRZSA-N 1 3 299.309 1.024 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001252492686 951362063 /nfs/dbraw/zinc/36/20/63/951362063.db2.gz ZUYXNXPMZGJTKZ-CYBMUJFWSA-N 1 3 275.352 1.259 20 30 CDEDHO C=C[C@@](C)(O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252580651 951474397 /nfs/dbraw/zinc/47/43/97/951474397.db2.gz SPNPWLZNGAFJLW-QGZVFWFLSA-N 1 3 289.423 1.820 20 30 CDEDHO N#CCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001327197070 954765088 /nfs/dbraw/zinc/76/50/88/954765088.db2.gz LVVAITDUBYGJJE-KGLIPLIRSA-N 1 3 259.353 1.948 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001341677880 963508671 /nfs/dbraw/zinc/50/86/71/963508671.db2.gz USYBTJNERMUTEN-LSDHHAIUSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001341677880 963508673 /nfs/dbraw/zinc/50/86/73/963508673.db2.gz USYBTJNERMUTEN-LSDHHAIUSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100651744 968870050 /nfs/dbraw/zinc/87/00/50/968870050.db2.gz HAIZEXZISGNWSM-JXQTWKCFSA-N 1 3 267.417 1.243 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681130 968937402 /nfs/dbraw/zinc/93/74/02/968937402.db2.gz XRQLSOSMDOEBLN-UHFFFAOYSA-N 1 3 279.428 1.082 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001391939539 977157303 /nfs/dbraw/zinc/15/73/03/977157303.db2.gz TZPAEKDJAXFENC-PWSUYJOCSA-N 1 3 275.824 1.421 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411253 1163279653 /nfs/dbraw/zinc/27/96/53/1163279653.db2.gz XAWAUZGASZVSOH-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132411253 1163279661 /nfs/dbraw/zinc/27/96/61/1163279661.db2.gz XAWAUZGASZVSOH-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181873 1163598204 /nfs/dbraw/zinc/59/82/04/1163598204.db2.gz KEXKYOXAUIAEGK-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO CSC1(CNC[C@H](C#N)CCC#N)CC[NH+](C)CC1 ZINC000562911327 361946391 /nfs/dbraw/zinc/94/63/91/361946391.db2.gz KMQZXJMKDITIMI-ZDUSSCGKSA-N 1 3 280.441 1.847 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523981 342268837 /nfs/dbraw/zinc/26/88/37/342268837.db2.gz KRZOIXUEMZPMOC-ZDUSSCGKSA-N 1 3 267.417 1.341 20 30 CDEDHO N#Cc1sccc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000594736830 342950193 /nfs/dbraw/zinc/95/01/93/342950193.db2.gz WOFQEXLMVDHXTH-UHFFFAOYSA-N 1 3 290.436 1.741 20 30 CDEDHO N#Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000596649671 343370915 /nfs/dbraw/zinc/37/09/15/343370915.db2.gz DYRULBOSDUVJKH-XYPWUTKMSA-N 1 3 255.365 1.973 20 30 CDEDHO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000602800708 344590701 /nfs/dbraw/zinc/59/07/01/344590701.db2.gz RVJRWXZLTLTWPZ-HOTGVXAUSA-N 1 3 290.455 1.638 20 30 CDEDHO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000602800708 344590703 /nfs/dbraw/zinc/59/07/03/344590703.db2.gz RVJRWXZLTLTWPZ-HOTGVXAUSA-N 1 3 290.455 1.638 20 30 CDEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)cn3)C2)CC1 ZINC000602878122 350157838 /nfs/dbraw/zinc/15/78/38/350157838.db2.gz VWCGWIWTISULSP-UHFFFAOYSA-N 1 3 270.380 1.871 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000057139576 360133518 /nfs/dbraw/zinc/13/35/18/360133518.db2.gz MNLUCKOGMXTANB-UHFFFAOYSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000178818636 189148376 /nfs/dbraw/zinc/14/83/76/189148376.db2.gz CFGMMLOADRRZHR-MRXNPFEDSA-N 1 3 287.407 1.843 20 30 CDEDHO C=C(CC)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000358820953 367908143 /nfs/dbraw/zinc/90/81/43/367908143.db2.gz UYIRPZRASDADGM-CVEARBPZSA-N 1 3 265.445 1.910 20 30 CDEDHO CC(C)[NH+]1CCC(O)(CNCc2cc(C#N)n(C)c2)CC1 ZINC000276608355 193399083 /nfs/dbraw/zinc/39/90/83/193399083.db2.gz IAWNIYZCCQNYPS-UHFFFAOYSA-N 1 3 290.411 1.222 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417527869 377840237 /nfs/dbraw/zinc/84/02/37/377840237.db2.gz OAFIPRXIMXURIN-DZGCQCFKSA-N 1 3 294.443 1.406 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]([NH3+])CC)CC1 ZINC000417545568 377932329 /nfs/dbraw/zinc/93/23/29/377932329.db2.gz XREIGLFZIGZJKF-LBPRGKRZSA-N 1 3 268.405 1.063 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416761 378360504 /nfs/dbraw/zinc/36/05/04/378360504.db2.gz XNQJTGVPDHUROK-LSDHHAIUSA-N 1 3 293.455 1.799 20 30 CDEDHO C=CCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975798 391371619 /nfs/dbraw/zinc/37/16/19/391371619.db2.gz GBGDNSINEVTCBF-KGLIPLIRSA-N 1 3 265.401 1.000 20 30 CDEDHO C=C(C)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000334363773 392109518 /nfs/dbraw/zinc/10/95/18/392109518.db2.gz LWBFPSINAKAPPS-LSDHHAIUSA-N 1 3 251.418 1.520 20 30 CDEDHO C=CCC1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC000656792492 413673181 /nfs/dbraw/zinc/67/31/81/413673181.db2.gz RLPBIQVBEXOBEA-AWEZNQCLSA-N 1 3 279.428 1.662 20 30 CDEDHO CC(C#N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000347106549 226052733 /nfs/dbraw/zinc/05/27/33/226052733.db2.gz LZJKBLJDTWXXFJ-ZDUSSCGKSA-N 1 3 279.384 1.297 20 30 CDEDHO C=CC[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384374 424292402 /nfs/dbraw/zinc/29/24/02/424292402.db2.gz INKLJSFKTBJPLQ-HUUCEWRRSA-N 1 3 254.418 1.976 20 30 CDEDHO C=CC[C@@H]1CCCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000661384374 424292407 /nfs/dbraw/zinc/29/24/07/424292407.db2.gz INKLJSFKTBJPLQ-HUUCEWRRSA-N 1 3 254.418 1.976 20 30 CDEDHO CCN(CC[NH+]1CCCCCC1)C(=O)C(C)C#N ZINC000346311134 279187447 /nfs/dbraw/zinc/18/74/47/279187447.db2.gz YGPZWIKPTCKODX-ZDUSSCGKSA-N 1 3 251.374 1.871 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261724728 329979838 /nfs/dbraw/zinc/97/98/38/329979838.db2.gz KJPLEOMJUGFZBV-GXTWGEPZSA-N 1 3 265.401 1.271 20 30 CDEDHO C[C@@H]1CCCN(C(=[NH2+])NCCN2CCCC2(C)C)C1 ZINC000263055082 330041021 /nfs/dbraw/zinc/04/10/21/330041021.db2.gz DVLXGXZDSYMKMJ-CYBMUJFWSA-N 1 3 266.433 1.907 20 30 CDEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423014150 330165461 /nfs/dbraw/zinc/16/54/61/330165461.db2.gz HLQNLDMMVKIAAJ-BYNSBNAKSA-N 1 3 252.402 1.681 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000424126811 330259263 /nfs/dbraw/zinc/25/92/63/330259263.db2.gz BYVADWPYDAIOLV-ZIAGYGMSSA-N 1 3 278.400 1.094 20 30 CDEDHO C#CCN1CCC(C(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000491794141 332354173 /nfs/dbraw/zinc/35/41/73/332354173.db2.gz OMGYLJMINISSCN-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001755025208 1159504819 /nfs/dbraw/zinc/50/48/19/1159504819.db2.gz QESULWXAXSCAHO-CABCVRRESA-N 1 3 297.418 1.270 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001755025208 1159504824 /nfs/dbraw/zinc/50/48/24/1159504824.db2.gz QESULWXAXSCAHO-CABCVRRESA-N 1 3 297.418 1.270 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000236678767 482599571 /nfs/dbraw/zinc/59/95/71/482599571.db2.gz XZMFPQBTVLTPLG-CQSZACIVSA-N 1 3 281.444 1.929 20 30 CDEDHO C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001752126811 1184821548 /nfs/dbraw/zinc/82/15/48/1184821548.db2.gz WGLUDZYMFCVUSG-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001752126811 1184821553 /nfs/dbraw/zinc/82/15/53/1184821553.db2.gz WGLUDZYMFCVUSG-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(CN(C)C)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000764492330 575915711 /nfs/dbraw/zinc/91/57/11/575915711.db2.gz CWYCNYOHRAJUGY-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(CN(C)C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000764492330 575915713 /nfs/dbraw/zinc/91/57/13/575915713.db2.gz CWYCNYOHRAJUGY-UHFFFAOYSA-N 1 3 281.444 1.827 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968916005 612961153 /nfs/dbraw/zinc/96/11/53/612961153.db2.gz VXWZQALGCSCOFV-HUUCEWRRSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968916005 612961155 /nfs/dbraw/zinc/96/11/55/612961155.db2.gz VXWZQALGCSCOFV-HUUCEWRRSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000939806254 612970284 /nfs/dbraw/zinc/97/02/84/612970284.db2.gz FASOOOUVWKHKIE-RHSMWYFYSA-N 1 3 299.418 1.432 20 30 CDEDHO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2CC)C1 ZINC000970928799 612996621 /nfs/dbraw/zinc/99/66/21/612996621.db2.gz MGPSNLGJLYEFMH-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC000960174655 613344773 /nfs/dbraw/zinc/34/47/73/613344773.db2.gz KNHNEUXLNQZSMX-XUWVNRHRSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC000960174655 613344774 /nfs/dbraw/zinc/34/47/74/613344774.db2.gz KNHNEUXLNQZSMX-XUWVNRHRSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891522661 617459323 /nfs/dbraw/zinc/45/93/23/617459323.db2.gz TUAWGWMJRFHIAE-GDBMZVCRSA-N 1 3 292.427 1.221 20 30 CDEDHO C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)[C@H]1CCCO1 ZINC000926210219 617544451 /nfs/dbraw/zinc/54/44/51/617544451.db2.gz LHFUDDFWAJMTAF-SLUKUZTOSA-N 1 3 292.423 1.399 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911880106 629606370 /nfs/dbraw/zinc/60/63/70/629606370.db2.gz RDIKGXJINNUIEL-LSDHHAIUSA-N 1 3 298.475 1.166 20 30 CDEDHO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178328933 1159560839 /nfs/dbraw/zinc/56/08/39/1159560839.db2.gz TVMZHYQHUPJTEJ-WBVHZDCISA-N 1 3 287.407 1.865 20 30 CDEDHO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178328933 1159560842 /nfs/dbraw/zinc/56/08/42/1159560842.db2.gz TVMZHYQHUPJTEJ-WBVHZDCISA-N 1 3 287.407 1.865 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888921 1163501934 /nfs/dbraw/zinc/50/19/34/1163501934.db2.gz SUPDNDDQNOZXIO-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566665257 1168377665 /nfs/dbraw/zinc/37/76/65/1168377665.db2.gz PAPYHEACGXEIRV-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566665257 1168377668 /nfs/dbraw/zinc/37/76/68/1168377668.db2.gz PAPYHEACGXEIRV-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001731327687 1182320342 /nfs/dbraw/zinc/32/03/42/1182320342.db2.gz IGGHZOVNAPLYGO-OAHLLOKOSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001731327687 1182320345 /nfs/dbraw/zinc/32/03/45/1182320345.db2.gz IGGHZOVNAPLYGO-OAHLLOKOSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001752815286 1184921071 /nfs/dbraw/zinc/92/10/71/1184921071.db2.gz PDDHQRMEMJORPD-HNNXBMFYSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001753139133 1185080870 /nfs/dbraw/zinc/08/08/70/1185080870.db2.gz USBPSTLDRDJPIU-CQSZACIVSA-N 1 3 267.417 1.342 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001753139133 1185080880 /nfs/dbraw/zinc/08/08/80/1185080880.db2.gz USBPSTLDRDJPIU-CQSZACIVSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001753713129 1185313308 /nfs/dbraw/zinc/31/33/08/1185313308.db2.gz YVHCYXISSTVWAN-CZUORRHYSA-N 1 3 297.418 1.269 20 30 CDEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998188814 742865633 /nfs/dbraw/zinc/86/56/33/742865633.db2.gz KNKFRTSLCQOKFH-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998188814 742865634 /nfs/dbraw/zinc/86/56/34/742865634.db2.gz KNKFRTSLCQOKFH-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393014 742927794 /nfs/dbraw/zinc/92/77/94/742927794.db2.gz CZNRJRXIEZAKBF-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393014 742927825 /nfs/dbraw/zinc/92/78/25/742927825.db2.gz CZNRJRXIEZAKBF-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985646242 743262563 /nfs/dbraw/zinc/26/25/63/743262563.db2.gz JETGYXNNLZQMES-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985646242 743262593 /nfs/dbraw/zinc/26/25/93/743262593.db2.gz JETGYXNNLZQMES-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460524 745040931 /nfs/dbraw/zinc/04/09/31/745040931.db2.gz PQOVHIVRXUHALF-JYJNAYRXSA-N 1 3 293.455 1.824 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999491572 745082577 /nfs/dbraw/zinc/08/25/77/745082577.db2.gz VZTNAIJPGQCMLE-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050663403 745380439 /nfs/dbraw/zinc/38/04/39/745380439.db2.gz TWLPJZWMGMPNNM-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919132 745778252 /nfs/dbraw/zinc/77/82/52/745778252.db2.gz STKZFSFJKMOQON-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027919132 745778259 /nfs/dbraw/zinc/77/82/59/745778259.db2.gz STKZFSFJKMOQON-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001143374 745895455 /nfs/dbraw/zinc/89/54/55/745895455.db2.gz GNARXALMYJSOOJ-ZFWWWQNUSA-N 1 3 277.412 1.118 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001143374 745895457 /nfs/dbraw/zinc/89/54/57/745895457.db2.gz GNARXALMYJSOOJ-ZFWWWQNUSA-N 1 3 277.412 1.118 20 30 CDEDHO C#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737888 746313600 /nfs/dbraw/zinc/31/36/00/746313600.db2.gz XLOQURFDXVWHRY-GOEBONIOSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036737888 746313611 /nfs/dbraw/zinc/31/36/11/746313611.db2.gz XLOQURFDXVWHRY-GOEBONIOSA-N 1 3 289.423 1.027 20 30 CDEDHO CN1CCC[C@H](C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178328915 746377980 /nfs/dbraw/zinc/37/79/80/746377980.db2.gz TVMZHYQHUPJTEJ-RDJZCZTQSA-N 1 3 287.407 1.865 20 30 CDEDHO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178328915 746377987 /nfs/dbraw/zinc/37/79/87/746377987.db2.gz TVMZHYQHUPJTEJ-RDJZCZTQSA-N 1 3 287.407 1.865 20 30 CDEDHO C=CC[NH+]1CCC(NC[C@H](O)c2ccccn2)CC1 ZINC000853100022 746533684 /nfs/dbraw/zinc/53/36/84/746533684.db2.gz YCWVTWPNNRQQOA-HNNXBMFYSA-N 1 3 261.369 1.355 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041678186 746664532 /nfs/dbraw/zinc/66/45/32/746664532.db2.gz HCLZMBPNVLWILU-DOTOQJQBSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041678186 746664533 /nfs/dbraw/zinc/66/45/33/746664533.db2.gz HCLZMBPNVLWILU-DOTOQJQBSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000992837209 746700610 /nfs/dbraw/zinc/70/06/10/746700610.db2.gz PJZBQSXBKWJIII-NWANDNLSSA-N 1 3 288.395 1.355 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794337 746802902 /nfs/dbraw/zinc/80/29/02/746802902.db2.gz XLXSIJUVVIYSRL-UHFFFAOYSA-N 1 3 265.401 1.191 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794337 746802903 /nfs/dbraw/zinc/80/29/03/746802903.db2.gz XLXSIJUVVIYSRL-UHFFFAOYSA-N 1 3 265.401 1.191 20 30 CDEDHO CN1CCN(C2CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000879594785 746896575 /nfs/dbraw/zinc/89/65/75/746896575.db2.gz QXEMKGAPISZNQL-UHFFFAOYSA-N 1 3 276.428 1.392 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cncc(C)c1 ZINC000130968514 746954605 /nfs/dbraw/zinc/95/46/05/746954605.db2.gz RRFVMIZWDVULPU-CQSZACIVSA-N 1 3 275.400 1.279 20 30 CDEDHO C[C@H](C[NH+]=C(N(C)C)N(C)C)N1CCCC[C@@H]1C ZINC000262021937 747802892 /nfs/dbraw/zinc/80/28/92/747802892.db2.gz YBRQACBALKFOJD-QWHCGFSZSA-N 1 3 254.422 1.729 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152146 748146046 /nfs/dbraw/zinc/14/60/46/748146046.db2.gz AOQIUHBTFJHTGB-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001054152146 748146057 /nfs/dbraw/zinc/14/60/57/748146057.db2.gz AOQIUHBTFJHTGB-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022715423 748239734 /nfs/dbraw/zinc/23/97/34/748239734.db2.gz IJOGLBZXODVPCQ-RTXFEEFZSA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022715423 748239753 /nfs/dbraw/zinc/23/97/53/748239753.db2.gz IJOGLBZXODVPCQ-RTXFEEFZSA-N 1 3 285.819 1.318 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000381312 748397116 /nfs/dbraw/zinc/39/71/16/748397116.db2.gz YEHOVHINEFNABS-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015648897 748613835 /nfs/dbraw/zinc/61/38/35/748613835.db2.gz MQHMNKNMBVQMAP-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567651 748675783 /nfs/dbraw/zinc/67/57/83/748675783.db2.gz DDVSVSSGLXJZDY-SOUVJXGZSA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567651 748675801 /nfs/dbraw/zinc/67/58/01/748675801.db2.gz DDVSVSSGLXJZDY-SOUVJXGZSA-N 1 3 277.412 1.047 20 30 CDEDHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000848719374 749326418 /nfs/dbraw/zinc/32/64/18/749326418.db2.gz CNSLWBDOZSRARH-KGLIPLIRSA-N 1 3 259.353 1.926 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001566879711 1168455803 /nfs/dbraw/zinc/45/58/03/1168455803.db2.gz RZVLICKZFDTROR-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001566879711 1168455806 /nfs/dbraw/zinc/45/58/06/1168455806.db2.gz RZVLICKZFDTROR-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175107242 913447919 /nfs/dbraw/zinc/44/79/19/913447919.db2.gz MBMMKGWWPTUVSW-LSDHHAIUSA-N 1 3 281.444 1.470 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271760 913523011 /nfs/dbraw/zinc/52/30/11/913523011.db2.gz CTRJFEPQJSPEFD-HNNXBMFYSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106313289 913852445 /nfs/dbraw/zinc/85/24/45/913852445.db2.gz VTBFYGRLKPQSIE-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001215972884 896060579 /nfs/dbraw/zinc/06/05/79/896060579.db2.gz BNDLTOKJRZZJSX-HZPDHXFCSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC)CC1 ZINC001176737836 914235788 /nfs/dbraw/zinc/23/57/88/914235788.db2.gz NMMQMYZPRBBNEI-OAHLLOKOSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972262 914410482 /nfs/dbraw/zinc/41/04/82/914410482.db2.gz SWZZGJJDAKBKQJ-CQSZACIVSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001088382295 907068823 /nfs/dbraw/zinc/06/88/23/907068823.db2.gz YPMPPLDDUAISCO-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171501993 910804112 /nfs/dbraw/zinc/80/41/12/910804112.db2.gz ZNAQASKTZVSQRB-UONOGXRCSA-N 1 3 269.433 1.777 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[N@@H+](C)CCC ZINC001171725197 910899177 /nfs/dbraw/zinc/89/91/77/910899177.db2.gz HWLVZJPTXSGBEQ-UHFFFAOYSA-N 1 3 275.824 1.567 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[N@H+](C)CCC ZINC001171725197 910899185 /nfs/dbraw/zinc/89/91/85/910899185.db2.gz HWLVZJPTXSGBEQ-UHFFFAOYSA-N 1 3 275.824 1.567 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183267882 918420244 /nfs/dbraw/zinc/42/02/44/918420244.db2.gz PQHXQLAKXVHFAZ-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001183765239 918660771 /nfs/dbraw/zinc/66/07/71/918660771.db2.gz QYBVNIQKXUIDIC-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001078795378 920467054 /nfs/dbraw/zinc/46/70/54/920467054.db2.gz PTGXQIQZWGYROY-UONOGXRCSA-N 1 3 288.395 1.464 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203004589 936680597 /nfs/dbraw/zinc/68/05/97/936680597.db2.gz CAFYXHVMZWAWKR-UHFFFAOYSA-N 1 3 287.835 1.661 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188139912 920857166 /nfs/dbraw/zinc/85/71/66/920857166.db2.gz VDSCTKMSZDGPGE-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675064 922132431 /nfs/dbraw/zinc/13/24/31/922132431.db2.gz GZYPYPLQCKLETI-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675064 922132442 /nfs/dbraw/zinc/13/24/42/922132442.db2.gz GZYPYPLQCKLETI-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192188990 922939121 /nfs/dbraw/zinc/93/91/21/922939121.db2.gz AEJBVXANUJCVKQ-HUUCEWRRSA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192188990 922939126 /nfs/dbraw/zinc/93/91/26/922939126.db2.gz AEJBVXANUJCVKQ-HUUCEWRRSA-N 1 3 279.428 1.129 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201412357 926289459 /nfs/dbraw/zinc/28/94/59/926289459.db2.gz ZMEURLJAMYSBFH-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435267 937141613 /nfs/dbraw/zinc/14/16/13/937141613.db2.gz YRYAHEGYEFNRDK-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435267 937141617 /nfs/dbraw/zinc/14/16/17/937141617.db2.gz YRYAHEGYEFNRDK-BZUAXINKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(C)CN1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547878 937237051 /nfs/dbraw/zinc/23/70/51/937237051.db2.gz ZCQAKTUWVCWSNC-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=C(C)CN1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547878 937237056 /nfs/dbraw/zinc/23/70/56/937237056.db2.gz ZCQAKTUWVCWSNC-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001112425298 937308353 /nfs/dbraw/zinc/30/83/53/937308353.db2.gz GYJOWOAUURVULY-UXLLHSPISA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C(C)C)C2)CC1 ZINC001086558384 929413956 /nfs/dbraw/zinc/41/39/56/929413956.db2.gz JSYVJBPIPPNIJK-KOMQPUFPSA-N 1 3 291.439 1.224 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115161559 937331566 /nfs/dbraw/zinc/33/15/66/937331566.db2.gz HURYGPKURJERHD-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115161559 937331570 /nfs/dbraw/zinc/33/15/70/937331570.db2.gz HURYGPKURJERHD-FOLVSLTJSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475985 930225905 /nfs/dbraw/zinc/22/59/05/930225905.db2.gz HOCNGZAOCCVQOI-LSDHHAIUSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979576 930577944 /nfs/dbraw/zinc/57/79/44/930577944.db2.gz HLXNIBZKCISHHA-ZIAGYGMSSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979323 930577971 /nfs/dbraw/zinc/57/79/71/930577971.db2.gz FLBZHFRVBIVRFU-UONOGXRCSA-N 1 3 267.417 1.224 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979574 930578377 /nfs/dbraw/zinc/57/83/77/930578377.db2.gz HLXNIBZKCISHHA-KGLIPLIRSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153827999 937475034 /nfs/dbraw/zinc/47/50/34/937475034.db2.gz FZYKQOIGAQHLQQ-CQSZACIVSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153827999 937475036 /nfs/dbraw/zinc/47/50/36/937475036.db2.gz FZYKQOIGAQHLQQ-CQSZACIVSA-N 1 3 279.428 1.321 20 30 CDEDHO C[C@@H]1CC[C@@H](N2CCC3SC(=O)C=C3C2)C[NH2+]1 ZINC001246695847 932209512 /nfs/dbraw/zinc/20/95/12/932209512.db2.gz QSKVWCOZOXXTFJ-YUSALJHKSA-N 1 3 252.383 1.401 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255642 937653439 /nfs/dbraw/zinc/65/34/39/937653439.db2.gz WRGDHPLMYINRGZ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255642 937653441 /nfs/dbraw/zinc/65/34/41/937653441.db2.gz WRGDHPLMYINRGZ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883855 937685234 /nfs/dbraw/zinc/68/52/34/937685234.db2.gz MQSXUUSDSGLVPY-CVEARBPZSA-N 1 3 295.471 1.813 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC001121938085 937892558 /nfs/dbraw/zinc/89/25/58/937892558.db2.gz RLEGJMIHTJABFB-AGIUHOORSA-N 1 3 253.390 1.256 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704080 938652299 /nfs/dbraw/zinc/65/22/99/938652299.db2.gz AOSWQCBQKHBBLG-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704080 938652300 /nfs/dbraw/zinc/65/23/00/938652300.db2.gz AOSWQCBQKHBBLG-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789149 938932964 /nfs/dbraw/zinc/93/29/64/938932964.db2.gz HEZXBBRCLKXYQM-UHFFFAOYSA-N 1 3 285.819 1.463 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679305 939160258 /nfs/dbraw/zinc/16/02/58/939160258.db2.gz CQWRVZXWRWLDTN-UHFFFAOYSA-N 1 3 293.455 1.733 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707810 939629770 /nfs/dbraw/zinc/62/97/70/939629770.db2.gz JGLRLLAXUQPVHR-CMPLNLGQSA-N 1 3 273.808 1.033 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166707810 939629772 /nfs/dbraw/zinc/62/97/72/939629772.db2.gz JGLRLLAXUQPVHR-CMPLNLGQSA-N 1 3 273.808 1.033 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744533 939634452 /nfs/dbraw/zinc/63/44/52/939634452.db2.gz YTGIYZNJKBUIDW-UHFFFAOYSA-N 1 3 255.406 1.246 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210221323 940672322 /nfs/dbraw/zinc/67/23/22/940672322.db2.gz ZRHBNXHWLZDZQL-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227039144 942118980 /nfs/dbraw/zinc/11/89/80/942118980.db2.gz QVNALBZFHBJXED-RBSFLKMASA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227796800 942225703 /nfs/dbraw/zinc/22/57/03/942225703.db2.gz APPDTGRLJTUHRX-OAHLLOKOSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001263098762 943743501 /nfs/dbraw/zinc/74/35/01/943743501.db2.gz NIOFQVZZUIOOSP-GFCCVEGCSA-N 1 3 279.388 1.067 20 30 CDEDHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@H]1CC[C@H](C#N)C1 ZINC001254646626 947567582 /nfs/dbraw/zinc/56/75/82/947567582.db2.gz NQFTUOHPZIAONO-RWMBFGLXSA-N 1 3 296.415 1.858 20 30 CDEDHO C=C1C[C@@H]2CC([N@H+]3C[C@H](O)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246578759 948304668 /nfs/dbraw/zinc/30/46/68/948304668.db2.gz BXZIJWJZQWADBX-YSZZHOLASA-N 1 3 250.386 1.373 20 30 CDEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@H](O)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246578759 948304676 /nfs/dbraw/zinc/30/46/76/948304676.db2.gz BXZIJWJZQWADBX-YSZZHOLASA-N 1 3 250.386 1.373 20 30 CDEDHO C[NH+](C)CC#CCNC[C@H](O)c1cccc(Cl)c1 ZINC001335381400 959758499 /nfs/dbraw/zinc/75/84/99/959758499.db2.gz KOZBTEDFTQRLJX-AWEZNQCLSA-N 1 3 266.772 1.528 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001340471195 962950911 /nfs/dbraw/zinc/95/09/11/962950911.db2.gz IYOVVSUDLAGVKT-UPJWGTAASA-N 1 3 253.390 1.113 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC001341629904 963489187 /nfs/dbraw/zinc/48/91/87/963489187.db2.gz LFXWAIQWIAZOMV-ZDUSSCGKSA-N 1 3 253.390 1.272 20 30 CDEDHO CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC001342631103 963779993 /nfs/dbraw/zinc/77/99/93/963779993.db2.gz NBRFYNRHUQVYDI-CHWSQXEVSA-N 1 3 268.405 1.244 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001343457669 963990717 /nfs/dbraw/zinc/99/07/17/963990717.db2.gz GYFMQAXHPULVQV-CYBMUJFWSA-N 1 3 265.401 1.272 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405711 968257586 /nfs/dbraw/zinc/25/75/86/968257586.db2.gz JYANFZYJKAJCJC-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100443322 968370685 /nfs/dbraw/zinc/37/06/85/968370685.db2.gz AMQWXFICOXRJAU-YMAMQOFZSA-N 1 3 281.444 1.777 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100443434 968370890 /nfs/dbraw/zinc/37/08/90/968370890.db2.gz HFOPNDPGFJOWAI-YMAMQOFZSA-N 1 3 281.444 1.777 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001522325279 970420947 /nfs/dbraw/zinc/42/09/47/970420947.db2.gz CARCAQKSFBBYFD-JSGCOSHPSA-N 1 3 286.379 1.487 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153467 1163183145 /nfs/dbraw/zinc/18/31/45/1163183145.db2.gz QWBNIZXMNMPNLZ-LSDHHAIUSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132153467 1163183151 /nfs/dbraw/zinc/18/31/51/1163183151.db2.gz QWBNIZXMNMPNLZ-LSDHHAIUSA-N 1 3 293.455 1.709 20 30 CDEDHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570834 342637228 /nfs/dbraw/zinc/63/72/28/342637228.db2.gz VIEUDRNKUUESSQ-BBRMVZONSA-N 1 3 299.422 1.510 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595960000 343196400 /nfs/dbraw/zinc/19/64/00/343196400.db2.gz RMWXKYQXOPVZKK-IHRRRGAJSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000595960000 343196402 /nfs/dbraw/zinc/19/64/02/343196402.db2.gz RMWXKYQXOPVZKK-IHRRRGAJSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935173 343192503 /nfs/dbraw/zinc/19/25/03/343192503.db2.gz AQKFQAUCBQZPLT-GJZGRUSLSA-N 1 3 292.427 1.246 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(O)cc1 ZINC000264100452 362966571 /nfs/dbraw/zinc/96/65/71/362966571.db2.gz MTXDZKCYUGZCOO-CYBMUJFWSA-N 1 3 276.384 1.281 20 30 CDEDHO CCN1CCN(CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069679959 374598657 /nfs/dbraw/zinc/59/86/57/374598657.db2.gz RXJXRGHUXHWONM-UHFFFAOYSA-N 1 3 286.423 1.675 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417536095 377896537 /nfs/dbraw/zinc/89/65/37/377896537.db2.gz XPUYKIMVWIVRBS-AWEZNQCLSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417536971 377900055 /nfs/dbraw/zinc/90/00/55/377900055.db2.gz YYJQQSFHBMEXCM-ZIAGYGMSSA-N 1 3 294.443 1.263 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653117873 424303767 /nfs/dbraw/zinc/30/37/67/424303767.db2.gz XYQKEWIFLCFLLU-CYBMUJFWSA-N 1 3 265.401 1.143 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123267365 268020448 /nfs/dbraw/zinc/02/04/48/268020448.db2.gz JCSSWZFLHJDUIO-AWEZNQCLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000334908685 277775125 /nfs/dbraw/zinc/77/51/25/277775125.db2.gz IYQSQWNCIVKULP-ZDUSSCGKSA-N 1 3 280.416 1.160 20 30 CDEDHO CN1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069680018 279207539 /nfs/dbraw/zinc/20/75/39/279207539.db2.gz WCQGLKKZEUHHNO-UHFFFAOYSA-N 1 3 286.423 1.675 20 30 CDEDHO C=C(C)CN1CCC([NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000564845617 327009371 /nfs/dbraw/zinc/00/93/71/327009371.db2.gz VEVQXHDSRXSTRP-MRXNPFEDSA-N 1 3 281.444 1.072 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@](C)([NH3+])CCC)CC1 ZINC000262710809 330028311 /nfs/dbraw/zinc/02/83/11/330028311.db2.gz QECRUMVYQOENLD-CQSZACIVSA-N 1 3 253.390 1.271 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCCC1(C)C ZINC000263209197 330049274 /nfs/dbraw/zinc/04/92/74/330049274.db2.gz YTZXRHBAMIKTMK-CZUORRHYSA-N 1 3 296.459 1.316 20 30 CDEDHO C=CC(C)(C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423153100 330173125 /nfs/dbraw/zinc/17/31/25/330173125.db2.gz MYOSLSQRKODYJL-HZSPNIEDSA-N 1 3 252.402 1.945 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000424127368 330259335 /nfs/dbraw/zinc/25/93/35/330259335.db2.gz CREABCHCSWUOMO-OAHLLOKOSA-N 1 3 292.427 1.342 20 30 CDEDHO CN(C)CCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000451156924 331017947 /nfs/dbraw/zinc/01/79/47/331017947.db2.gz UFODHFICEUBKAG-UHFFFAOYSA-N 1 3 253.390 1.627 20 30 CDEDHO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001755498887 1185972687 /nfs/dbraw/zinc/97/26/87/1185972687.db2.gz PRMLEDCRYRSHHJ-CABCVRRESA-N 1 3 281.444 1.920 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000332489363 526583195 /nfs/dbraw/zinc/58/31/95/526583195.db2.gz SGIDMIPVYPYIPI-UHFFFAOYSA-N 1 3 280.416 1.158 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000334910993 526588664 /nfs/dbraw/zinc/58/86/64/526588664.db2.gz QHNNLGDEZSFZRT-ZIAGYGMSSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001690103805 1175376421 /nfs/dbraw/zinc/37/64/21/1175376421.db2.gz WANQDEYFARUDSX-UONOGXRCSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001690103805 1175376433 /nfs/dbraw/zinc/37/64/33/1175376433.db2.gz WANQDEYFARUDSX-UONOGXRCSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001690103806 1175376755 /nfs/dbraw/zinc/37/67/55/1175376755.db2.gz WANQDEYFARUDSX-ZIAGYGMSSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001690103806 1175376761 /nfs/dbraw/zinc/37/67/61/1175376761.db2.gz WANQDEYFARUDSX-ZIAGYGMSSA-N 1 3 267.417 1.339 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050974 612993686 /nfs/dbraw/zinc/99/36/86/612993686.db2.gz POSVHWBAMSEGPI-CQSZACIVSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812971 613007095 /nfs/dbraw/zinc/00/70/95/613007095.db2.gz PMHFTBMBUJDIPS-OAHLLOKOSA-N 1 3 288.395 1.288 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812971 613007097 /nfs/dbraw/zinc/00/70/97/613007097.db2.gz PMHFTBMBUJDIPS-OAHLLOKOSA-N 1 3 288.395 1.288 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC000959846680 613344722 /nfs/dbraw/zinc/34/47/22/613344722.db2.gz GPMTYJRMNSNJQH-XUWVNRHRSA-N 1 3 291.439 1.482 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC000959846680 613344723 /nfs/dbraw/zinc/34/47/23/613344723.db2.gz GPMTYJRMNSNJQH-XUWVNRHRSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246108 613499866 /nfs/dbraw/zinc/49/98/66/613499866.db2.gz VPGFXBNNEPNMTP-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948246108 613499867 /nfs/dbraw/zinc/49/98/67/613499867.db2.gz VPGFXBNNEPNMTP-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866380 613683382 /nfs/dbraw/zinc/68/33/82/613683382.db2.gz GZOUXGSVVAXZTF-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866380 613683384 /nfs/dbraw/zinc/68/33/84/613683384.db2.gz GZOUXGSVVAXZTF-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO CCN1CCN(C[C@@H](C)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892927991 617912638 /nfs/dbraw/zinc/91/26/38/617912638.db2.gz JREUZBABSWLDHO-SFHVURJKSA-N 1 3 299.462 1.901 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174683192 1164301491 /nfs/dbraw/zinc/30/14/91/1164301491.db2.gz PDTMIAJWZINOLC-LBPRGKRZSA-N 1 3 278.400 1.711 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C1CC1 ZINC001752493774 1184872251 /nfs/dbraw/zinc/87/22/51/1184872251.db2.gz IXUFWVPPXDKXKP-AWEZNQCLSA-N 1 3 276.384 1.321 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001754604577 1185679658 /nfs/dbraw/zinc/67/96/58/1185679658.db2.gz PLIZMPJRHTVICT-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001755324457 1185917643 /nfs/dbraw/zinc/91/76/43/1185917643.db2.gz MIPQFYWKKPTULR-LLVKDONJSA-N 1 3 264.373 1.273 20 30 CDEDHO C=CCC[N@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001755324457 1185917646 /nfs/dbraw/zinc/91/76/46/1185917646.db2.gz MIPQFYWKKPTULR-LLVKDONJSA-N 1 3 264.373 1.273 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001755604506 1186009701 /nfs/dbraw/zinc/00/97/01/1186009701.db2.gz XCOKVQIUHBVTDY-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846303 1163931241 /nfs/dbraw/zinc/93/12/41/1163931241.db2.gz YFZCNPPPCSUDCY-OAHLLOKOSA-N 1 3 281.444 1.780 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706101 1164168984 /nfs/dbraw/zinc/16/89/84/1164168984.db2.gz OXCPGBJPLQXHIR-UONOGXRCSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CC(C)(C)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849036165 752304779 /nfs/dbraw/zinc/30/47/79/752304779.db2.gz UWBBKHSROFGGLB-GFCCVEGCSA-N 1 3 252.406 1.797 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997008621 751384940 /nfs/dbraw/zinc/38/49/40/751384940.db2.gz WADAVBGNIWJQEC-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985470161 751885643 /nfs/dbraw/zinc/88/56/43/751885643.db2.gz MJHJPPNVKQMWRI-HNNXBMFYSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985470161 751885644 /nfs/dbraw/zinc/88/56/44/751885644.db2.gz MJHJPPNVKQMWRI-HNNXBMFYSA-N 1 3 279.428 1.435 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC3(C#N)CCC3)CC[C@H]21 ZINC000886043599 751903719 /nfs/dbraw/zinc/90/37/19/751903719.db2.gz GCPZGKMIULJSNT-BZUAXINKSA-N 1 3 291.439 1.847 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC3(C#N)CCC3)CC[C@H]21 ZINC000886043599 751903726 /nfs/dbraw/zinc/90/37/26/751903726.db2.gz GCPZGKMIULJSNT-BZUAXINKSA-N 1 3 291.439 1.847 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463290 1165191105 /nfs/dbraw/zinc/19/11/05/1165191105.db2.gz GQWYMYOZCWOGSA-BARDWOONSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)N(C)C ZINC001114463290 1165191108 /nfs/dbraw/zinc/19/11/08/1165191108.db2.gz GQWYMYOZCWOGSA-BARDWOONSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531717 1165217349 /nfs/dbraw/zinc/21/73/49/1165217349.db2.gz MBHATKCCKMZRRT-AWEZNQCLSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230724 752231103 /nfs/dbraw/zinc/23/11/03/752231103.db2.gz QSTVZKASDKJCBI-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230724 752231106 /nfs/dbraw/zinc/23/11/06/752231106.db2.gz QSTVZKASDKJCBI-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO CCCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000385410435 749378150 /nfs/dbraw/zinc/37/81/50/749378150.db2.gz RMRIFJVHDXDTOG-OAHLLOKOSA-N 1 3 253.434 1.936 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713309 749809436 /nfs/dbraw/zinc/80/94/36/749809436.db2.gz USJOPBVPMRTDBT-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713309 749809446 /nfs/dbraw/zinc/80/94/46/749809446.db2.gz USJOPBVPMRTDBT-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027442317 749991230 /nfs/dbraw/zinc/99/12/30/749991230.db2.gz DESAPPUWDQCXTD-HUUCEWRRSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027442317 749991232 /nfs/dbraw/zinc/99/12/32/749991232.db2.gz DESAPPUWDQCXTD-HUUCEWRRSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041141715 750267137 /nfs/dbraw/zinc/26/71/37/750267137.db2.gz PSEZPTSGDWWAKZ-HOCLYGCPSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041141715 750267154 /nfs/dbraw/zinc/26/71/54/750267154.db2.gz PSEZPTSGDWWAKZ-HOCLYGCPSA-N 1 3 277.412 1.191 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203717 750275073 /nfs/dbraw/zinc/27/50/73/750275073.db2.gz ACNHVGZAQPGEMO-JKSUJKDBSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071997339 750323683 /nfs/dbraw/zinc/32/36/83/750323683.db2.gz YQPQDUVDRYHZGE-CABCVRRESA-N 1 3 289.423 1.075 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000261993873 750333965 /nfs/dbraw/zinc/33/39/65/750333965.db2.gz NDTNVBDGYOMQGZ-QWHCGFSZSA-N 1 3 254.422 1.667 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001019382993 750967890 /nfs/dbraw/zinc/96/78/90/750967890.db2.gz RSLQGUXOPBVHJT-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000986932538 752626690 /nfs/dbraw/zinc/62/66/90/752626690.db2.gz AQRZCCHYBRZNQJ-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979864 752913649 /nfs/dbraw/zinc/91/36/49/752913649.db2.gz ONGIKPFXUFOVGH-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979864 752913656 /nfs/dbraw/zinc/91/36/56/752913656.db2.gz ONGIKPFXUFOVGH-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036059203 753013642 /nfs/dbraw/zinc/01/36/42/753013642.db2.gz CXKBYAIDKVZJTR-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](O)CN1CCCC1 ZINC000924753308 753553653 /nfs/dbraw/zinc/55/36/53/753553653.db2.gz CWPIOHYYISPUMA-STQMWFEESA-N 1 3 253.390 1.361 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027547491 753562263 /nfs/dbraw/zinc/56/22/63/753562263.db2.gz SPLUQWFMWVDZLD-JYJNAYRXSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027547491 753562269 /nfs/dbraw/zinc/56/22/69/753562269.db2.gz SPLUQWFMWVDZLD-JYJNAYRXSA-N 1 3 291.439 1.273 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072981552 753679433 /nfs/dbraw/zinc/67/94/33/753679433.db2.gz KWYJDAIIWSXMHN-AWEZNQCLSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072981552 753679438 /nfs/dbraw/zinc/67/94/38/753679438.db2.gz KWYJDAIIWSXMHN-AWEZNQCLSA-N 1 3 277.412 1.049 20 30 CDEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039470348 753792717 /nfs/dbraw/zinc/79/27/17/753792717.db2.gz WTSFYVMLBHFSFQ-OAGGEKHMSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039470348 753792726 /nfs/dbraw/zinc/79/27/26/753792726.db2.gz WTSFYVMLBHFSFQ-OAGGEKHMSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989826701 753805524 /nfs/dbraw/zinc/80/55/24/753805524.db2.gz RUOREFISENCXJG-RHSMWYFYSA-N 1 3 299.418 1.574 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001004054679 753811525 /nfs/dbraw/zinc/81/15/25/753811525.db2.gz ZDZDBJLLUUAXHS-UHFFFAOYSA-N 1 3 290.411 1.807 20 30 CDEDHO N#Cc1csc(CNCC[C@H]2CCC[NH2+]CC2)n1 ZINC001580081750 1167709590 /nfs/dbraw/zinc/70/95/90/1167709590.db2.gz QTUVIUGAEMSVDU-NSHDSACASA-N 1 3 264.398 1.884 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200647 912439029 /nfs/dbraw/zinc/43/90/29/912439029.db2.gz UPASYLPAXCINJX-OCCSQVGLSA-N 1 3 265.401 1.141 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281910 913784227 /nfs/dbraw/zinc/78/42/27/913784227.db2.gz KLLRKWFWFXRENJ-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO CCCCCCC[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC001149135064 898676390 /nfs/dbraw/zinc/67/63/90/898676390.db2.gz OSDZYPCMJRSKEU-UHFFFAOYSA-N 1 3 280.416 1.937 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729387 898926779 /nfs/dbraw/zinc/92/67/79/898926779.db2.gz VATLNTVWZGSDJX-CHWSQXEVSA-N 1 3 276.384 1.212 20 30 CDEDHO C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001482160609 902784642 /nfs/dbraw/zinc/78/46/42/902784642.db2.gz IHTNKMIMTFBCIR-QWHCGFSZSA-N 1 3 255.406 1.245 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579348 908142790 /nfs/dbraw/zinc/14/27/90/908142790.db2.gz BSPUAYMKKYSCSX-FXUDXRNXSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579348 908142799 /nfs/dbraw/zinc/14/27/99/908142799.db2.gz BSPUAYMKKYSCSX-FXUDXRNXSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957987 908625090 /nfs/dbraw/zinc/62/50/90/908625090.db2.gz HIMXDVWCYMTRQW-QWHCGFSZSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088619963 908631946 /nfs/dbraw/zinc/63/19/46/908631946.db2.gz MUGGQFKKFQBFRF-OAGGEKHMSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088619963 908631953 /nfs/dbraw/zinc/63/19/53/908631953.db2.gz MUGGQFKKFQBFRF-OAGGEKHMSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001120456136 911951047 /nfs/dbraw/zinc/95/10/47/911951047.db2.gz PJYRPGVLWHJTHX-FRRDWIJNSA-N 1 3 253.390 1.304 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185335163 919556433 /nfs/dbraw/zinc/55/64/33/919556433.db2.gz APMXXWPJOHRGJX-CABCVRRESA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190899112 922287882 /nfs/dbraw/zinc/28/78/82/922287882.db2.gz HQDUIIPYWYOXEC-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190899112 922287898 /nfs/dbraw/zinc/28/78/98/922287898.db2.gz HQDUIIPYWYOXEC-ZIAGYGMSSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342472 923013881 /nfs/dbraw/zinc/01/38/81/923013881.db2.gz FWTOFNHQCNCFCZ-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342472 923013896 /nfs/dbraw/zinc/01/38/96/923013896.db2.gz FWTOFNHQCNCFCZ-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C#CCN1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101440183 936972440 /nfs/dbraw/zinc/97/24/40/936972440.db2.gz JOPORBMPXOECBN-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCN1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101440183 936972441 /nfs/dbraw/zinc/97/24/41/936972441.db2.gz JOPORBMPXOECBN-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCCN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243018 925375101 /nfs/dbraw/zinc/37/51/01/925375101.db2.gz CFIHMGDNTPQRMA-UHFFFAOYSA-N 1 3 291.439 1.420 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048914 937039492 /nfs/dbraw/zinc/03/94/92/937039492.db2.gz UTMHUHCIFINEGU-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048914 937039495 /nfs/dbraw/zinc/03/94/95/937039495.db2.gz UTMHUHCIFINEGU-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C=C[C@@](C)(O)C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001252558767 929256314 /nfs/dbraw/zinc/25/63/14/929256314.db2.gz ITQFRFLPEPUKRJ-OAHLLOKOSA-N 1 3 270.392 1.822 20 30 CDEDHO C[C@@H]([NH3+])CCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001170890041 930680894 /nfs/dbraw/zinc/68/08/94/930680894.db2.gz BLOGKIQIWNWADR-VDCVXVNISA-N 1 3 259.357 1.929 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153727628 937464172 /nfs/dbraw/zinc/46/41/72/937464172.db2.gz FCMJZWARRUCQAN-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153727628 937464174 /nfs/dbraw/zinc/46/41/74/937464174.db2.gz FCMJZWARRUCQAN-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828380 937475009 /nfs/dbraw/zinc/47/50/09/937475009.db2.gz KVZQKWOAGWCZNN-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828380 937475011 /nfs/dbraw/zinc/47/50/11/937475011.db2.gz KVZQKWOAGWCZNN-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171261601 932187424 /nfs/dbraw/zinc/18/74/24/932187424.db2.gz WIKBHEDLVMKGDW-OAHLLOKOSA-N 1 3 293.455 1.759 20 30 CDEDHO CN1CCC[C@H](C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246079425 934807187 /nfs/dbraw/zinc/80/71/87/934807187.db2.gz TVMZHYQHUPJTEJ-DOTOQJQBSA-N 1 3 287.407 1.865 20 30 CDEDHO CN1CCC[C@H](C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246079425 934807191 /nfs/dbraw/zinc/80/71/91/934807191.db2.gz TVMZHYQHUPJTEJ-DOTOQJQBSA-N 1 3 287.407 1.865 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001121922531 937890905 /nfs/dbraw/zinc/89/09/05/937890905.db2.gz LEQXOBBZVLUXOD-GJZGRUSLSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001121931563 937891638 /nfs/dbraw/zinc/89/16/38/937891638.db2.gz CCIRGRYTXZEVBT-CHWSQXEVSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157109769 938455138 /nfs/dbraw/zinc/45/51/38/938455138.db2.gz VRUYQQREPSCWDG-CYBMUJFWSA-N 1 3 255.406 1.339 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157109769 938455139 /nfs/dbraw/zinc/45/51/39/938455139.db2.gz VRUYQQREPSCWDG-CYBMUJFWSA-N 1 3 255.406 1.339 20 30 CDEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163820580 939338147 /nfs/dbraw/zinc/33/81/47/939338147.db2.gz GJURDGNSEAVMEK-ZDUSSCGKSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626804 939620747 /nfs/dbraw/zinc/62/07/47/939620747.db2.gz JQVYIBXEEVXHQD-CYBMUJFWSA-N 1 3 253.390 1.143 20 30 CDEDHO C#CCOc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136276 939826602 /nfs/dbraw/zinc/82/66/02/939826602.db2.gz URGCIBSGRYKGOZ-DZGCQCFKSA-N 1 3 258.365 1.725 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490350 939893859 /nfs/dbraw/zinc/89/38/59/939893859.db2.gz BDKIHEZFURWOKG-HNNXBMFYSA-N 1 3 279.428 1.034 20 30 CDEDHO N#CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206166447 939989972 /nfs/dbraw/zinc/98/99/72/939989972.db2.gz SNWZCNQBSWXULE-CABCVRRESA-N 1 3 277.343 1.850 20 30 CDEDHO N#CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206166447 939989973 /nfs/dbraw/zinc/98/99/73/939989973.db2.gz SNWZCNQBSWXULE-CABCVRRESA-N 1 3 277.343 1.850 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206287507 940012494 /nfs/dbraw/zinc/01/24/94/940012494.db2.gz DFTQWTBUIIKJHN-UHFFFAOYSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208446993 940330893 /nfs/dbraw/zinc/33/08/93/940330893.db2.gz FLEXZZAVFNTGID-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530439 940338306 /nfs/dbraw/zinc/33/83/06/940338306.db2.gz VQTPBEOCRIESJT-BZUAXINKSA-N 1 3 295.471 1.975 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530439 940338312 /nfs/dbraw/zinc/33/83/12/940338312.db2.gz VQTPBEOCRIESJT-BZUAXINKSA-N 1 3 295.471 1.975 20 30 CDEDHO CNCc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ncn1 ZINC001240342839 945794961 /nfs/dbraw/zinc/79/49/61/945794961.db2.gz AHOBSSQXNQLCDX-UHFFFAOYSA-N 1 3 279.347 1.421 20 30 CDEDHO N#Cc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1N ZINC001244114218 947328070 /nfs/dbraw/zinc/32/80/70/947328070.db2.gz PZGVGLZNALYFGN-UHFFFAOYSA-N 1 3 279.347 1.612 20 30 CDEDHO CCCCCCCC[C@H](O)CNC[C@]12C[NH2+]C[C@H]1COC2 ZINC001245984694 947879535 /nfs/dbraw/zinc/87/95/35/947879535.db2.gz OUJAPXKVAQIQEQ-ULQDDVLXSA-N 1 3 298.471 1.924 20 30 CDEDHO N=C(NC1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC001246308355 948097243 /nfs/dbraw/zinc/09/72/43/948097243.db2.gz PZAUCHADKBFLJQ-UHFFFAOYSA-N 1 3 254.337 1.692 20 30 CDEDHO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246586794 948319042 /nfs/dbraw/zinc/31/90/42/948319042.db2.gz UJJWHALEYIQIPB-VNCIIQTRSA-N 1 3 299.418 1.642 20 30 CDEDHO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246586794 948319048 /nfs/dbraw/zinc/31/90/48/948319048.db2.gz UJJWHALEYIQIPB-VNCIIQTRSA-N 1 3 299.418 1.642 20 30 CDEDHO C#CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001251854810 950872149 /nfs/dbraw/zinc/87/21/49/950872149.db2.gz MIDYLILUANRCRS-GVDBMIGSSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001251854810 950872163 /nfs/dbraw/zinc/87/21/63/950872163.db2.gz MIDYLILUANRCRS-GVDBMIGSSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001251854810 950872167 /nfs/dbraw/zinc/87/21/67/950872167.db2.gz MIDYLILUANRCRS-GVDBMIGSSA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001251854810 950872183 /nfs/dbraw/zinc/87/21/83/950872183.db2.gz MIDYLILUANRCRS-GVDBMIGSSA-N 1 3 294.439 1.336 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001493136114 971957258 /nfs/dbraw/zinc/95/72/58/971957258.db2.gz PJOIIDLZDRWJTF-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001493136114 971957261 /nfs/dbraw/zinc/95/72/61/971957261.db2.gz PJOIIDLZDRWJTF-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C[NH+](C)CC#CCNC[C@@H](O)c1cccc(Cl)c1 ZINC001335381403 959756090 /nfs/dbraw/zinc/75/60/90/959756090.db2.gz KOZBTEDFTQRLJX-CQSZACIVSA-N 1 3 266.772 1.528 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001340296350 962869378 /nfs/dbraw/zinc/86/93/78/962869378.db2.gz HUSDPAAGETWKSV-HOTGVXAUSA-N 1 3 287.407 1.673 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001357443488 969589822 /nfs/dbraw/zinc/58/98/22/969589822.db2.gz BDFUKLNVEUACJW-OCCSQVGLSA-N 1 3 253.390 1.176 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133134373 1163579458 /nfs/dbraw/zinc/57/94/58/1163579458.db2.gz DGGWLVDAZHDTTN-UONOGXRCSA-N 1 3 288.395 1.050 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccsc1 ZINC000170903927 342524807 /nfs/dbraw/zinc/52/48/07/342524807.db2.gz OWXBMNBYFPZFFR-CYBMUJFWSA-N 1 3 280.441 1.679 20 30 CDEDHO C[NH+]1CCC(N2CC[C@H](NC[C@H](C#N)CCC#N)C2)CC1 ZINC000591736727 342645020 /nfs/dbraw/zinc/64/50/20/342645020.db2.gz KLUCYJFKACIUNH-GJZGRUSLSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@@H+]2CC[C@H](NC[C@H](C#N)CCC#N)C2)CC1 ZINC000591736727 342645021 /nfs/dbraw/zinc/64/50/21/342645021.db2.gz KLUCYJFKACIUNH-GJZGRUSLSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@H+]2CC[C@H](NC[C@H](C#N)CCC#N)C2)CC1 ZINC000591736727 342645022 /nfs/dbraw/zinc/64/50/22/342645022.db2.gz KLUCYJFKACIUNH-GJZGRUSLSA-N 1 3 289.427 1.188 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)c1 ZINC000593320381 342788201 /nfs/dbraw/zinc/78/82/01/342788201.db2.gz HLTLMBTXPDBFIC-GOSISDBHSA-N 1 3 298.434 1.864 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000593320381 342788202 /nfs/dbraw/zinc/78/82/02/342788202.db2.gz HLTLMBTXPDBFIC-GOSISDBHSA-N 1 3 298.434 1.864 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441774 342907697 /nfs/dbraw/zinc/90/76/97/342907697.db2.gz WRCXOSKWFAEDJC-RBSFLKMASA-N 1 3 294.443 1.777 20 30 CDEDHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000594441774 342907698 /nfs/dbraw/zinc/90/76/98/342907698.db2.gz WRCXOSKWFAEDJC-RBSFLKMASA-N 1 3 294.443 1.777 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442769383 362088100 /nfs/dbraw/zinc/08/81/00/362088100.db2.gz QEVGKGKMMOFZPO-KZNAEPCWSA-N 1 3 299.418 1.905 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442769383 362088106 /nfs/dbraw/zinc/08/81/06/362088106.db2.gz QEVGKGKMMOFZPO-KZNAEPCWSA-N 1 3 299.418 1.905 20 30 CDEDHO C=CCCSCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000596649244 343370763 /nfs/dbraw/zinc/37/07/63/343370763.db2.gz DDJASXGSODDFRI-RWMBFGLXSA-N 1 3 258.431 1.638 20 30 CDEDHO CN(C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264091719 362964087 /nfs/dbraw/zinc/96/40/87/362964087.db2.gz LFIJJKOFEJMQPW-UHFFFAOYSA-N 1 3 260.385 1.854 20 30 CDEDHO C#C[C@@](C)(CC)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000328597260 359662461 /nfs/dbraw/zinc/66/24/61/359662461.db2.gz GHEUEAINMLFRGE-INIZCTEOSA-N 1 3 265.445 1.794 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000074255516 369253494 /nfs/dbraw/zinc/25/34/94/369253494.db2.gz RJOCNVKTJQJXOL-INIZCTEOSA-N 1 3 293.455 1.424 20 30 CDEDHO Cc1cc(CNCCOCC[NH+](C)C)ccc1C#N ZINC000443981600 250068035 /nfs/dbraw/zinc/06/80/35/250068035.db2.gz BAOGQUARNUIAPC-UHFFFAOYSA-N 1 3 261.369 1.535 20 30 CDEDHO C[NH2+]CCNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423223050 390824913 /nfs/dbraw/zinc/82/49/13/390824913.db2.gz DQEBOEOKLCTWBD-UHFFFAOYSA-N 1 3 272.396 1.332 20 30 CDEDHO CNCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423223050 390824923 /nfs/dbraw/zinc/82/49/23/390824923.db2.gz DQEBOEOKLCTWBD-UHFFFAOYSA-N 1 3 272.396 1.332 20 30 CDEDHO C=CCC[C@H](O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423717 391162651 /nfs/dbraw/zinc/16/26/51/391162651.db2.gz XDBBLVVNXZIZGV-QKPAOTATSA-N 1 3 282.428 1.497 20 30 CDEDHO C[NH+]=C(NCc1cccn1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261966492 391743593 /nfs/dbraw/zinc/74/35/93/391743593.db2.gz LOLDSJXSLNCQOO-DZGCQCFKSA-N 1 3 291.443 1.419 20 30 CDEDHO CCN1CCN(CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442724356 391748074 /nfs/dbraw/zinc/74/80/74/391748074.db2.gz ZHCQOTVYWMMBRQ-CVEARBPZSA-N 1 3 278.444 1.686 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000262663773 391809274 /nfs/dbraw/zinc/80/92/74/391809274.db2.gz MNUPOTDSRBWUOF-GXTWGEPZSA-N 1 3 288.395 1.509 20 30 CDEDHO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)C#N)CC1 ZINC000347491730 226166454 /nfs/dbraw/zinc/16/64/54/226166454.db2.gz KOWHGQWICDQXJS-AWEZNQCLSA-N 1 3 295.427 1.743 20 30 CDEDHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(C)C#N)CC1 ZINC000347491730 226166458 /nfs/dbraw/zinc/16/64/58/226166458.db2.gz KOWHGQWICDQXJS-AWEZNQCLSA-N 1 3 295.427 1.743 20 30 CDEDHO C[C@H](C(=O)N(C)CCC#N)N1CCC(C[NH+](C)C)CC1 ZINC000330727329 264026652 /nfs/dbraw/zinc/02/66/52/264026652.db2.gz GCKUAMCVBLBAAW-CYBMUJFWSA-N 1 3 280.416 1.021 20 30 CDEDHO C#CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673960599 1173901951 /nfs/dbraw/zinc/90/19/51/1173901951.db2.gz GBWKARWKOLDPON-AWEZNQCLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[NH+](CC)CC)CC1 ZINC000171694995 329078609 /nfs/dbraw/zinc/07/86/09/329078609.db2.gz JVJDTACASKRYFQ-UHFFFAOYSA-N 1 3 282.432 1.278 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN2C2CCCCC2)N1 ZINC000262682525 330026737 /nfs/dbraw/zinc/02/67/37/330026737.db2.gz WWGKYJQJQJWEFU-OCCSQVGLSA-N 1 3 264.417 1.721 20 30 CDEDHO COC1CCN(C2(CNC3=[NH+]C[C@H](C)N3)CCCC2)CC1 ZINC000262689520 330027491 /nfs/dbraw/zinc/02/74/91/330027491.db2.gz ZSBHPXUOZQUROA-ZDUSSCGKSA-N 1 3 294.443 1.347 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](OC)C12CCC2 ZINC000263176767 330047380 /nfs/dbraw/zinc/04/73/80/330047380.db2.gz SUVLUXQHTPOZDZ-MCIONIFRSA-N 1 3 294.443 1.333 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCC1(C)C ZINC000263190204 330048344 /nfs/dbraw/zinc/04/83/44/330048344.db2.gz YDMMMXRZWLOXPO-NWDGAFQWSA-N 1 3 252.406 1.564 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000422981573 330162424 /nfs/dbraw/zinc/16/24/24/330162424.db2.gz SXTICLSPNQGTLI-ZFWWWQNUSA-N 1 3 251.418 1.615 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000424078847 330221383 /nfs/dbraw/zinc/22/13/83/330221383.db2.gz QKQPQSKBSRMELT-CHWSQXEVSA-N 1 3 266.389 1.031 20 30 CDEDHO CCC[NH+]1CCC(N(C)C(=O)[C@H](N)CCCC#N)CC1 ZINC000424132093 330264430 /nfs/dbraw/zinc/26/44/30/330264430.db2.gz KGQOEKXCLDARSZ-CQSZACIVSA-N 1 3 280.416 1.340 20 30 CDEDHO CCCNC(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291842 331166796 /nfs/dbraw/zinc/16/67/96/331166796.db2.gz YOFFTKDQMVFYMO-OAHLLOKOSA-N 1 3 274.412 1.823 20 30 CDEDHO C#CCN(C)CCCNC(=O)NCCC[NH+]1CCCCC1 ZINC000491670283 332277578 /nfs/dbraw/zinc/27/75/78/332277578.db2.gz DICBKHBNWXZOFT-UHFFFAOYSA-N 1 3 294.443 1.117 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494707950 332484211 /nfs/dbraw/zinc/48/42/11/332484211.db2.gz IIJFZCDGSQCCBB-CYBMUJFWSA-N 1 3 265.401 1.285 20 30 CDEDHO CN1CC[NH+]=C1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000261543088 334195727 /nfs/dbraw/zinc/19/57/27/334195727.db2.gz HKIDOARYZRMXMC-OAHLLOKOSA-N 1 3 272.396 1.400 20 30 CDEDHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069681201 521694117 /nfs/dbraw/zinc/69/41/17/521694117.db2.gz AMXFYQNZGXVCOA-OAHLLOKOSA-N 1 3 286.423 1.674 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000969956508 612963029 /nfs/dbraw/zinc/96/30/29/612963029.db2.gz XOCAQHXHDOQDSC-CZUORRHYSA-N 1 3 295.402 1.023 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947496607 613256806 /nfs/dbraw/zinc/25/68/06/613256806.db2.gz CDUDGWGZUDBAGY-CABCVRRESA-N 1 3 289.423 1.217 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969701652 613299148 /nfs/dbraw/zinc/29/91/48/613299148.db2.gz XNFRCRFATOKVHJ-UMVBOHGHSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969701652 613299150 /nfs/dbraw/zinc/29/91/50/613299150.db2.gz XNFRCRFATOKVHJ-UMVBOHGHSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013527 613679877 /nfs/dbraw/zinc/67/98/77/613679877.db2.gz UMGGLGWOUVEBTJ-HUUCEWRRSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013527 613679878 /nfs/dbraw/zinc/67/98/78/613679878.db2.gz UMGGLGWOUVEBTJ-HUUCEWRRSA-N 1 3 291.439 1.295 20 30 CDEDHO CC#CC[C@H](CO)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895131145 619329841 /nfs/dbraw/zinc/32/98/41/619329841.db2.gz GLIDKYZKLCUSLZ-MRXNPFEDSA-N 1 3 266.429 1.861 20 30 CDEDHO O=C1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCN1[O-] ZINC000895158925 619375076 /nfs/dbraw/zinc/37/50/76/619375076.db2.gz QVOXKQIGAKISSL-CQSZACIVSA-N 1 3 290.367 1.020 20 30 CDEDHO N#CC1(CCCC[N@@H+]2CCCO[C@H](CN)C2)CCC1 ZINC000903759962 626081517 /nfs/dbraw/zinc/08/15/17/626081517.db2.gz CNBCACYGVAGVPE-CQSZACIVSA-N 1 3 265.401 1.900 20 30 CDEDHO N#CC1(CCCC[N@H+]2CCCO[C@H](CN)C2)CCC1 ZINC000903759962 626081518 /nfs/dbraw/zinc/08/15/18/626081518.db2.gz CNBCACYGVAGVPE-CQSZACIVSA-N 1 3 265.401 1.900 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC[C@@](C)(O)C(F)F)CC1 ZINC000905095640 626636717 /nfs/dbraw/zinc/63/67/17/626636717.db2.gz IYWJSMPSVPVBDX-CYBMUJFWSA-N 1 3 262.344 1.633 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001270293223 1160100937 /nfs/dbraw/zinc/10/09/37/1160100937.db2.gz LMUKWYJPNNKDHR-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274441 1163622516 /nfs/dbraw/zinc/62/25/16/1163622516.db2.gz IDXHETBSKKVWHU-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001015217311 1166934177 /nfs/dbraw/zinc/93/41/77/1166934177.db2.gz XEUBUDLDYBQCED-ZDUSSCGKSA-N 1 3 297.362 1.257 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001015217311 1166934184 /nfs/dbraw/zinc/93/41/84/1166934184.db2.gz XEUBUDLDYBQCED-ZDUSSCGKSA-N 1 3 297.362 1.257 20 30 CDEDHO C=CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001717386556 1180642948 /nfs/dbraw/zinc/64/29/48/1180642948.db2.gz OLLOYTFPKQIXRI-NRXISQOPSA-N 1 3 281.444 1.633 20 30 CDEDHO C=C(C)C[N@H+](CC)CCCNC(=O)Cc1nc[nH]c1C ZINC001752227380 1184839566 /nfs/dbraw/zinc/83/95/66/1184839566.db2.gz FNDZFQCZAYRROE-UHFFFAOYSA-N 1 3 278.400 1.665 20 30 CDEDHO C=C(C)C[N@@H+](CC)CCCNC(=O)Cc1nc[nH]c1C ZINC001752227380 1184839569 /nfs/dbraw/zinc/83/95/69/1184839569.db2.gz FNDZFQCZAYRROE-UHFFFAOYSA-N 1 3 278.400 1.665 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001752880536 1184947301 /nfs/dbraw/zinc/94/73/01/1184947301.db2.gz UZVBJFBMGQJCDM-GFCCVEGCSA-N 1 3 253.390 1.141 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130581 1185077508 /nfs/dbraw/zinc/07/75/08/1185077508.db2.gz FQIAAAQTDWSWGK-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130581 1185077514 /nfs/dbraw/zinc/07/75/14/1185077514.db2.gz FQIAAAQTDWSWGK-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582763 755485111 /nfs/dbraw/zinc/48/51/11/755485111.db2.gz QMEOWEMTAIARLD-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582763 755485121 /nfs/dbraw/zinc/48/51/21/755485121.db2.gz QMEOWEMTAIARLD-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C#CCC[N@@H+](CCCN1CCN(C(C)C)CC1)CCOC ZINC000852749288 754069591 /nfs/dbraw/zinc/06/95/91/754069591.db2.gz VBWMPBXMGBXUCG-UHFFFAOYSA-N 1 3 295.471 1.374 20 30 CDEDHO C#CCC[N@H+](CCCN1CCN(C(C)C)CC1)CCOC ZINC000852749288 754069594 /nfs/dbraw/zinc/06/95/94/754069594.db2.gz VBWMPBXMGBXUCG-UHFFFAOYSA-N 1 3 295.471 1.374 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100130 754222893 /nfs/dbraw/zinc/22/28/93/754222893.db2.gz YPCBHAXJZPMQNJ-OWYFMNJBSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100130 754222908 /nfs/dbraw/zinc/22/29/08/754222908.db2.gz YPCBHAXJZPMQNJ-OWYFMNJBSA-N 1 3 289.423 1.236 20 30 CDEDHO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC000999876583 754407861 /nfs/dbraw/zinc/40/78/61/754407861.db2.gz ONFQLEYHQXRXNM-YMAMQOFZSA-N 1 3 277.412 1.073 20 30 CDEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040115523 754755295 /nfs/dbraw/zinc/75/52/95/754755295.db2.gz PVWHWIPCVASDEJ-RDJZCZTQSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040115523 754755297 /nfs/dbraw/zinc/75/52/97/754755297.db2.gz PVWHWIPCVASDEJ-RDJZCZTQSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]12 ZINC001026366843 754778825 /nfs/dbraw/zinc/77/88/25/754778825.db2.gz QZAITHHMOIFEIK-BPLDGKMQSA-N 1 3 288.395 1.355 20 30 CDEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035851428 754864018 /nfs/dbraw/zinc/86/40/18/754864018.db2.gz GDIAELLJTJUGAD-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035851428 754864023 /nfs/dbraw/zinc/86/40/23/754864023.db2.gz GDIAELLJTJUGAD-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO CC(C)N(CCNC(=[NH2+])NC[C@H]1CCCO1)C(C)C ZINC000195522194 755073420 /nfs/dbraw/zinc/07/34/20/755073420.db2.gz KUTCBURSJVVYPA-CYBMUJFWSA-N 1 3 270.421 1.189 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001019383593 755232739 /nfs/dbraw/zinc/23/27/39/755232739.db2.gz IJVIBRWCKDZQLT-BBRMVZONSA-N 1 3 297.418 1.575 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@@H](C)C#N)[C@@H](C)C1 ZINC000801943174 755355091 /nfs/dbraw/zinc/35/50/91/755355091.db2.gz MNWSLDXNQDHARJ-JYJNAYRXSA-N 1 3 297.443 1.642 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NCCO[C@@H](C)C#N)[C@@H](C)C1 ZINC000801943174 755355097 /nfs/dbraw/zinc/35/50/97/755355097.db2.gz MNWSLDXNQDHARJ-JYJNAYRXSA-N 1 3 297.443 1.642 20 30 CDEDHO C[C@H](C#N)OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000801926558 755558395 /nfs/dbraw/zinc/55/83/95/755558395.db2.gz XJVHCMWGIMGLGQ-OAHLLOKOSA-N 1 3 295.427 1.492 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[C@@H]1CCCCO1 ZINC000305802859 755619853 /nfs/dbraw/zinc/61/98/53/755619853.db2.gz FEXYIAWMOLOZCZ-CABCVRRESA-N 1 3 296.459 1.724 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC000996313529 756230972 /nfs/dbraw/zinc/23/09/72/756230972.db2.gz DPNHZZXNIYKKRL-STQMWFEESA-N 1 3 267.417 1.339 20 30 CDEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039312577 756328995 /nfs/dbraw/zinc/32/89/95/756328995.db2.gz SQAVQCYDSQRVKY-MQVJKMGUSA-N 1 3 289.423 1.217 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712284 756570951 /nfs/dbraw/zinc/57/09/51/756570951.db2.gz GPZWZPROIOHFFV-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712284 756570955 /nfs/dbraw/zinc/57/09/55/756570955.db2.gz GPZWZPROIOHFFV-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000303897921 756603718 /nfs/dbraw/zinc/60/37/18/756603718.db2.gz QVIQVQCYJWNYOF-CHWSQXEVSA-N 1 3 254.422 1.954 20 30 CDEDHO CC[C@H](CNC(=[NH2+])NCCC(C)C)N1CCCC1 ZINC000303900217 756723018 /nfs/dbraw/zinc/72/30/18/756723018.db2.gz SDGRSLDRIICSTF-CYBMUJFWSA-N 1 3 254.422 1.811 20 30 CDEDHO C=CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000841008332 756783539 /nfs/dbraw/zinc/78/35/39/756783539.db2.gz XOOHHDVUWNTZIS-ZDUSSCGKSA-N 1 3 253.390 1.080 20 30 CDEDHO C=CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000841008332 756783552 /nfs/dbraw/zinc/78/35/52/756783552.db2.gz XOOHHDVUWNTZIS-ZDUSSCGKSA-N 1 3 253.390 1.080 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027928618 757151597 /nfs/dbraw/zinc/15/15/97/757151597.db2.gz ULHPQHZCWQAXKO-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027928618 757151618 /nfs/dbraw/zinc/15/16/18/757151618.db2.gz ULHPQHZCWQAXKO-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035669480 757332742 /nfs/dbraw/zinc/33/27/42/757332742.db2.gz RQEFNLSQMYHJKB-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001000187328 757351192 /nfs/dbraw/zinc/35/11/92/757351192.db2.gz WXMVIUNYLQQJIU-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469089 757390828 /nfs/dbraw/zinc/39/08/28/757390828.db2.gz DDEVKNYBENCTHR-UHFFFAOYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469089 757390841 /nfs/dbraw/zinc/39/08/41/757390841.db2.gz DDEVKNYBENCTHR-UHFFFAOYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986357963 757515568 /nfs/dbraw/zinc/51/55/68/757515568.db2.gz VCFUCWUHLQAMLS-GXTWGEPZSA-N 1 3 265.401 1.236 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001037860061 758087084 /nfs/dbraw/zinc/08/70/84/758087084.db2.gz MRIDPZSBIQEYDJ-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000863883841 758569998 /nfs/dbraw/zinc/56/99/98/758569998.db2.gz PBUDQLDRPVUCND-UHFFFAOYSA-N 1 3 277.412 1.075 20 30 CDEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000303895544 758726241 /nfs/dbraw/zinc/72/62/41/758726241.db2.gz TYSYCZYKAPSIEX-ZDUSSCGKSA-N 1 3 254.422 1.954 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265551 913518379 /nfs/dbraw/zinc/51/83/79/913518379.db2.gz ZTAGETQZKCKQQH-HZPDHXFCSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249874 913719494 /nfs/dbraw/zinc/71/94/94/913719494.db2.gz UHQUOURVEGNCMU-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176285988 914016904 /nfs/dbraw/zinc/01/69/04/914016904.db2.gz SAFILAZDLOLDLK-OAHLLOKOSA-N 1 3 281.444 1.616 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626554 897095380 /nfs/dbraw/zinc/09/53/80/897095380.db2.gz DCOLSXKPKBWKFO-OAHLLOKOSA-N 1 3 281.444 1.921 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104812439 899533416 /nfs/dbraw/zinc/53/34/16/899533416.db2.gz PBTYIWVKGNVHGO-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104938004 899688316 /nfs/dbraw/zinc/68/83/16/899688316.db2.gz MOYYKAZHKHTBBU-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088327278 906902992 /nfs/dbraw/zinc/90/29/92/906902992.db2.gz JKITWJSGAMTTRO-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@@H](CCCC#N)N1CCN(CC[NH+](C)C)CC1 ZINC001172491233 911727906 /nfs/dbraw/zinc/72/79/06/911727906.db2.gz CVTICBMNHPFDQT-AWEZNQCLSA-N 1 3 252.406 1.248 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206169468 911833433 /nfs/dbraw/zinc/83/34/33/911833433.db2.gz NQBHQMXNHQLYDX-MRXNPFEDSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910664 915635169 /nfs/dbraw/zinc/63/51/69/915635169.db2.gz IXQOULYIYFFONF-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183450542 918501407 /nfs/dbraw/zinc/50/14/07/918501407.db2.gz UPTBUSZBEZAXHZ-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185917515 919817591 /nfs/dbraw/zinc/81/75/91/919817591.db2.gz BOAXRACJQOJALG-CHWSQXEVSA-N 1 3 276.384 1.497 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106342 920873679 /nfs/dbraw/zinc/87/36/79/920873679.db2.gz GJVUOPRPRIDPNF-OAHLLOKOSA-N 1 3 277.412 1.076 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190445582 921999027 /nfs/dbraw/zinc/99/90/27/921999027.db2.gz ZBDOEJNPLZBSCF-LSDHHAIUSA-N 1 3 297.418 1.222 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190445582 921999033 /nfs/dbraw/zinc/99/90/33/921999033.db2.gz ZBDOEJNPLZBSCF-LSDHHAIUSA-N 1 3 297.418 1.222 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036616 924022686 /nfs/dbraw/zinc/02/26/86/924022686.db2.gz AZJGKXFBWAVADS-CQSZACIVSA-N 1 3 265.401 1.191 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194036616 924022696 /nfs/dbraw/zinc/02/26/96/924022696.db2.gz AZJGKXFBWAVADS-CQSZACIVSA-N 1 3 265.401 1.191 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639143 925311705 /nfs/dbraw/zinc/31/17/05/925311705.db2.gz GSFZFNYZVKXWAJ-BZUAXINKSA-N 1 3 293.455 1.681 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639143 925311715 /nfs/dbraw/zinc/31/17/15/925311715.db2.gz GSFZFNYZVKXWAJ-BZUAXINKSA-N 1 3 293.455 1.681 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368260 937054447 /nfs/dbraw/zinc/05/44/47/937054447.db2.gz NDNVCPKFEIMKEH-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368260 937054450 /nfs/dbraw/zinc/05/44/50/937054450.db2.gz NDNVCPKFEIMKEH-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108786297 928631248 /nfs/dbraw/zinc/63/12/48/928631248.db2.gz WPOQGTKIGZPSSD-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583439 929798712 /nfs/dbraw/zinc/79/87/12/929798712.db2.gz KJTJPHCJPZKYPN-ZIAGYGMSSA-N 1 3 281.444 1.920 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734359 937417211 /nfs/dbraw/zinc/41/72/11/937417211.db2.gz JQBWTMBNVVNRJE-HNNXBMFYSA-N 1 3 293.455 1.759 20 30 CDEDHO N#CC1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001256973311 932725821 /nfs/dbraw/zinc/72/58/21/932725821.db2.gz OODAZKCZCJKIGI-UHFFFAOYSA-N 1 3 290.455 1.782 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066882 937629565 /nfs/dbraw/zinc/62/95/65/937629565.db2.gz PRZTVMHUYKNWMQ-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066882 937629567 /nfs/dbraw/zinc/62/95/67/937629567.db2.gz PRZTVMHUYKNWMQ-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237771 937652571 /nfs/dbraw/zinc/65/25/71/937652571.db2.gz JBPSZXNWACSVIX-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237771 937652574 /nfs/dbraw/zinc/65/25/74/937652574.db2.gz JBPSZXNWACSVIX-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC001121975969 937896291 /nfs/dbraw/zinc/89/62/91/937896291.db2.gz YNDZQZDPIVAHJG-ZDUSSCGKSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433948 938625704 /nfs/dbraw/zinc/62/57/04/938625704.db2.gz DHLBQPMUJUTZKL-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004039 939590178 /nfs/dbraw/zinc/59/01/78/939590178.db2.gz CNQADKKAOTTYFQ-CYBMUJFWSA-N 1 3 255.406 1.245 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166736589 939633269 /nfs/dbraw/zinc/63/32/69/939633269.db2.gz OBBAFDOSDIVOPG-UHFFFAOYSA-N 1 3 267.417 1.390 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203516298 939690232 /nfs/dbraw/zinc/69/02/32/939690232.db2.gz XJWSSIJUUHMJEG-UONOGXRCSA-N 1 3 279.428 1.531 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651684 939699617 /nfs/dbraw/zinc/69/96/17/939699617.db2.gz PBAOHPRQFAITGV-GJZGRUSLSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204797650 939792032 /nfs/dbraw/zinc/79/20/32/939792032.db2.gz ASHCTCBXHBQTQW-AWEZNQCLSA-N 1 3 265.401 1.095 20 30 CDEDHO C[NH+]1CCC(CCN2CCN(CCC#N)CC2)CC1 ZINC001207484452 940206117 /nfs/dbraw/zinc/20/61/17/940206117.db2.gz LBIXEYKUBLKKPY-UHFFFAOYSA-N 1 3 264.417 1.250 20 30 CDEDHO C#Cc1ccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001220382503 941442668 /nfs/dbraw/zinc/44/26/68/941442668.db2.gz YIROSBOHYDBDCB-INIZCTEOSA-N 1 3 287.407 1.343 20 30 CDEDHO CC#CCN1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273411 941736379 /nfs/dbraw/zinc/73/63/79/941736379.db2.gz XMDWQWHKHMOBPJ-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224535210 941766624 /nfs/dbraw/zinc/76/66/24/941766624.db2.gz DZBAXYVWQLBNJK-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCOC1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246135683 947979601 /nfs/dbraw/zinc/97/96/01/947979601.db2.gz UMVHCNYBAHVRIK-JXQTWKCFSA-N 1 3 250.386 1.842 20 30 CDEDHO C=C[C@H](O)CN1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001253576801 951962639 /nfs/dbraw/zinc/96/26/39/951962639.db2.gz HUMAHFQQKOTQJU-KURKYZTESA-N 1 3 286.419 1.906 20 30 CDEDHO C=C[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253585394 951974627 /nfs/dbraw/zinc/97/46/27/951974627.db2.gz XCWNVNYNNAXWHV-IRXDYDNUSA-N 1 3 274.408 1.987 20 30 CDEDHO C=C[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253585394 951974633 /nfs/dbraw/zinc/97/46/33/951974633.db2.gz XCWNVNYNNAXWHV-IRXDYDNUSA-N 1 3 274.408 1.987 20 30 CDEDHO C=C[C@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC001253609562 951994765 /nfs/dbraw/zinc/99/47/65/951994765.db2.gz VODBAJQXSSDAJW-AWEZNQCLSA-N 1 3 264.369 1.264 20 30 CDEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001323468470 960754408 /nfs/dbraw/zinc/75/44/08/960754408.db2.gz MXAQGZCGNUYYDH-AWEZNQCLSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC001340151808 962780350 /nfs/dbraw/zinc/78/03/50/962780350.db2.gz OBQBNVBISISOBM-CQSZACIVSA-N 1 3 267.417 1.662 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001340914541 963187747 /nfs/dbraw/zinc/18/77/47/963187747.db2.gz ZQCUGKQTSXYJMA-HZSPNIEDSA-N 1 3 269.433 1.918 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100319179 968004411 /nfs/dbraw/zinc/00/44/11/968004411.db2.gz APLHWSAOVXABCN-UYSNPLJNSA-N 1 3 291.439 1.367 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647441 968862246 /nfs/dbraw/zinc/86/22/46/968862246.db2.gz VHBSTIVUPLJNDZ-YMAMQOFZSA-N 1 3 279.428 1.080 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001357443489 969589196 /nfs/dbraw/zinc/58/91/96/969589196.db2.gz BDFUKLNVEUACJW-TZMCWYRMSA-N 1 3 253.390 1.176 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001378601446 975412223 /nfs/dbraw/zinc/41/22/23/975412223.db2.gz MLXMNTWYOKDBQL-DGCLKSJQSA-N 1 3 289.851 1.667 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001574851578 1171015002 /nfs/dbraw/zinc/01/50/02/1171015002.db2.gz HUFADDVWZPBHJP-WDEREUQCSA-N 1 3 259.781 1.009 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001574851578 1171015011 /nfs/dbraw/zinc/01/50/11/1171015011.db2.gz HUFADDVWZPBHJP-WDEREUQCSA-N 1 3 259.781 1.009 20 30 CDEDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC#N)CC1 ZINC000591570970 342637478 /nfs/dbraw/zinc/63/74/78/342637478.db2.gz MFAWLLUKGQTRKR-HOCLYGCPSA-N 1 3 278.444 1.875 20 30 CDEDHO CN1CCCN(CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000092277654 342414099 /nfs/dbraw/zinc/41/40/99/342414099.db2.gz WPIMVNRWDSIYCK-UHFFFAOYSA-N 1 3 295.475 1.251 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602548987 344463490 /nfs/dbraw/zinc/46/34/90/344463490.db2.gz QAUFVBNAZNDORN-GJZGRUSLSA-N 1 3 278.444 1.684 20 30 CDEDHO [NH2+]=C(NCCCN1CCC(O)CC1)Nc1ccccc1 ZINC000264092938 362965240 /nfs/dbraw/zinc/96/52/40/362965240.db2.gz LRLHAIKWSYFWFH-UHFFFAOYSA-N 1 3 276.384 1.260 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264139051 362976473 /nfs/dbraw/zinc/97/64/73/362976473.db2.gz VZKHETBDAPCXOX-UHFFFAOYSA-N 1 3 290.411 1.607 20 30 CDEDHO CNC(NCC1CCN(c2ccncc2)CC1)=[NH+]C ZINC000179712246 357221274 /nfs/dbraw/zinc/22/12/74/357221274.db2.gz ULQZWWLJIMDTFT-UHFFFAOYSA-N 1 3 261.373 1.093 20 30 CDEDHO CN(CC#CC[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000351328886 361644939 /nfs/dbraw/zinc/64/49/39/361644939.db2.gz NQCWBDWHAZLAKN-ZIAGYGMSSA-N 1 3 284.494 1.864 20 30 CDEDHO CN(CC#CC[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000351328886 361644941 /nfs/dbraw/zinc/64/49/41/361644941.db2.gz NQCWBDWHAZLAKN-ZIAGYGMSSA-N 1 3 284.494 1.864 20 30 CDEDHO C[NH+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280035882 367235979 /nfs/dbraw/zinc/23/59/79/367235979.db2.gz RUPSDERNLFWROX-OAHLLOKOSA-N 1 3 284.363 1.308 20 30 CDEDHO C=CCCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000342722781 374460645 /nfs/dbraw/zinc/46/06/45/374460645.db2.gz AZFWIJGYFUYZIG-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCC[C@@H](O)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000129152188 375178603 /nfs/dbraw/zinc/17/86/03/375178603.db2.gz NYSAFTYERBLPQY-OAHLLOKOSA-N 1 3 270.417 1.092 20 30 CDEDHO C=CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324707 377352905 /nfs/dbraw/zinc/35/29/05/377352905.db2.gz XAYQAAZOXMRUSY-UHFFFAOYSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C[C@H](CO)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995666 378357508 /nfs/dbraw/zinc/35/75/08/378357508.db2.gz YUGNFAVVXBPBOQ-DZGCQCFKSA-N 1 3 278.396 1.825 20 30 CDEDHO C=CCC[C@@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659465 413351191 /nfs/dbraw/zinc/35/11/91/413351191.db2.gz PPHWVHLXGLEJHY-HUUCEWRRSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659465 413351200 /nfs/dbraw/zinc/35/12/00/413351200.db2.gz PPHWVHLXGLEJHY-HUUCEWRRSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCCC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000663507827 414308606 /nfs/dbraw/zinc/30/86/06/414308606.db2.gz ZYCZMSGMTVQBEG-ZDUSSCGKSA-N 1 3 267.417 1.518 20 30 CDEDHO CN(C(=[NH2+])NCCCN1CCc2ccccc2C1)C1CC1 ZINC000273343269 263015851 /nfs/dbraw/zinc/01/58/51/263015851.db2.gz NVLDLCYNEKQQOU-UHFFFAOYSA-N 1 3 286.423 1.844 20 30 CDEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000292375106 263131671 /nfs/dbraw/zinc/13/16/71/263131671.db2.gz MOSDLEGGOGGXKB-CJNGLKHVSA-N 1 3 298.390 1.554 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000357793026 266363057 /nfs/dbraw/zinc/36/30/57/266363057.db2.gz CAYZAZNJSHAYND-NEPJUHHUSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000357793026 266363060 /nfs/dbraw/zinc/36/30/60/266363060.db2.gz CAYZAZNJSHAYND-NEPJUHHUSA-N 1 3 251.374 1.773 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000171731598 329079605 /nfs/dbraw/zinc/07/96/05/329079605.db2.gz JKRUTLZHRXXWGM-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000171731598 329079606 /nfs/dbraw/zinc/07/96/06/329079606.db2.gz JKRUTLZHRXXWGM-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000262432015 330010307 /nfs/dbraw/zinc/01/03/07/330010307.db2.gz SPAYPZHXLJWMHL-VXGBXAGGSA-N 1 3 270.446 1.271 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)N1 ZINC000262471732 330015650 /nfs/dbraw/zinc/01/56/50/330015650.db2.gz BFLQWMMGQIIUIB-JHJVBQTASA-N 1 3 266.433 1.680 20 30 CDEDHO C#CCNC(NCCN(C)C1CCCCC1)=[NH+]C ZINC000262629864 330023539 /nfs/dbraw/zinc/02/35/39/330023539.db2.gz VMLVTJHSDCJGCG-UHFFFAOYSA-N 1 3 250.390 1.049 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN2CC2CCCCC2)N1 ZINC000262634669 330023697 /nfs/dbraw/zinc/02/36/97/330023697.db2.gz GLWCOJMDYXVKDF-HIFRSBDPSA-N 1 3 278.444 1.968 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@](C)([NH3+])CCC)CC1 ZINC000262710808 330028294 /nfs/dbraw/zinc/02/82/94/330028294.db2.gz QECRUMVYQOENLD-AWEZNQCLSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CC[C@H](CO)CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423014422 330165519 /nfs/dbraw/zinc/16/55/19/330165519.db2.gz INKBBMKFSAULPX-BPUTZDHNSA-N 1 3 262.397 1.719 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423367898 330194580 /nfs/dbraw/zinc/19/45/80/330194580.db2.gz ATRVZQNTPSPIBA-GXTWGEPZSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCN(CC)C[C@H]2C)CC1 ZINC000177907259 333065472 /nfs/dbraw/zinc/06/54/72/333065472.db2.gz YEFCDBLZKVVCDS-GDBMZVCRSA-N 1 3 265.445 1.957 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000572705079 334872794 /nfs/dbraw/zinc/87/27/94/334872794.db2.gz ICZLWUUZAVMEGI-CQSZACIVSA-N 1 3 294.443 1.468 20 30 CDEDHO C=CCN1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194581257 336030656 /nfs/dbraw/zinc/03/06/56/336030656.db2.gz HIDFVNOFGVTCRU-UHFFFAOYSA-N 1 3 291.439 1.627 20 30 CDEDHO C#CCN(C)CCC[NH2+]C1CCN(C(C)C)CC1 ZINC000385606171 336152571 /nfs/dbraw/zinc/15/25/71/336152571.db2.gz MNXTVUGGJBCORH-UHFFFAOYSA-N 1 3 251.418 1.404 20 30 CDEDHO C=CCC[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001753862633 1185369724 /nfs/dbraw/zinc/36/97/24/1185369724.db2.gz HNYDFIFEYIHWKN-UHFFFAOYSA-N 1 3 283.460 1.931 20 30 CDEDHO C=CCC[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001753862633 1185369731 /nfs/dbraw/zinc/36/97/31/1185369731.db2.gz HNYDFIFEYIHWKN-UHFFFAOYSA-N 1 3 283.460 1.931 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972268131 613629925 /nfs/dbraw/zinc/62/99/25/613629925.db2.gz WYQHMPKKNJRCPY-UONOGXRCSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972268131 613629927 /nfs/dbraw/zinc/62/99/27/613629927.db2.gz WYQHMPKKNJRCPY-UONOGXRCSA-N 1 3 267.417 1.291 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000969954949 613864897 /nfs/dbraw/zinc/86/48/97/613864897.db2.gz IJVIBRWCKDZQLT-CZUORRHYSA-N 1 3 297.418 1.575 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000891521567 617458504 /nfs/dbraw/zinc/45/85/04/617458504.db2.gz ZDNFMVAEQXDDGH-UHFFFAOYSA-N 1 3 282.432 1.454 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000911778266 629494072 /nfs/dbraw/zinc/49/40/72/629494072.db2.gz PCAIJUFDVBIQOY-ZDUSSCGKSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCOC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC001252481340 1164471389 /nfs/dbraw/zinc/47/13/89/1164471389.db2.gz BOIOGTLTPJAFJR-CQSZACIVSA-N 1 3 256.390 1.012 20 30 CDEDHO C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754286042 1185551245 /nfs/dbraw/zinc/55/12/45/1185551245.db2.gz VNUXRXLKHOINEO-LSDHHAIUSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001755197060 1185850508 /nfs/dbraw/zinc/85/05/08/1185850508.db2.gz FMCBAOCTHWIWSV-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001755221809 1185862215 /nfs/dbraw/zinc/86/22/15/1185862215.db2.gz LOTTYIBCCZQNKY-UHFFFAOYSA-N 1 3 267.417 1.387 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001755734757 1186052707 /nfs/dbraw/zinc/05/27/07/1186052707.db2.gz DWBNWQSLSSVPJD-HUUCEWRRSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[N@@H+](C)CCN(C(=O)Cc1c[nH]cn1)C(C)C ZINC001755815027 1186075769 /nfs/dbraw/zinc/07/57/69/1186075769.db2.gz YCBKPKBBQNFXGK-UHFFFAOYSA-N 1 3 278.400 1.697 20 30 CDEDHO C=CCC[N@H+](C)CCN(C(=O)Cc1c[nH]cn1)C(C)C ZINC001755815027 1186075775 /nfs/dbraw/zinc/07/57/75/1186075775.db2.gz YCBKPKBBQNFXGK-UHFFFAOYSA-N 1 3 278.400 1.697 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474459 1164143565 /nfs/dbraw/zinc/14/35/65/1164143565.db2.gz QIBSEFWCRKNYGU-CQSZACIVSA-N 1 3 267.417 1.082 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796765 758903475 /nfs/dbraw/zinc/90/34/75/758903475.db2.gz WYWRXLWCFNXCGA-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001001002708 769275175 /nfs/dbraw/zinc/27/51/75/769275175.db2.gz OXQIARNRGRGHEH-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCC(C)(C)C2)CC1 ZINC001052715597 769755219 /nfs/dbraw/zinc/75/52/19/769755219.db2.gz GIGSYQOQJICWNK-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC(C)(C)C2)CC1 ZINC001052715597 769755243 /nfs/dbraw/zinc/75/52/43/769755243.db2.gz GIGSYQOQJICWNK-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036734981 770376042 /nfs/dbraw/zinc/37/60/42/770376042.db2.gz BKYJEVHHBBTTQB-HUUCEWRRSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036734981 770376055 /nfs/dbraw/zinc/37/60/55/770376055.db2.gz BKYJEVHHBBTTQB-HUUCEWRRSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996679902 770594324 /nfs/dbraw/zinc/59/43/24/770594324.db2.gz RISXLYRXZAWOHU-CQSZACIVSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001036054551 770884482 /nfs/dbraw/zinc/88/44/82/770884482.db2.gz LRXJKWAUQGHEEW-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006294113 770894371 /nfs/dbraw/zinc/89/43/71/770894371.db2.gz LMDFVRZIFMLXIN-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006294113 770894372 /nfs/dbraw/zinc/89/43/72/770894372.db2.gz LMDFVRZIFMLXIN-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000830345585 771125730 /nfs/dbraw/zinc/12/57/30/771125730.db2.gz JJUCSCORGUSRSM-UHFFFAOYSA-N 1 3 277.456 1.748 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999492722 771290261 /nfs/dbraw/zinc/29/02/61/771290261.db2.gz CCNSUJOPLNECTN-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC)C2)CC1 ZINC001046851213 771802245 /nfs/dbraw/zinc/80/22/45/771802245.db2.gz DMGRIDPOIVJHDN-KRWDZBQOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC)C2)CC1 ZINC001046851213 771802250 /nfs/dbraw/zinc/80/22/50/771802250.db2.gz DMGRIDPOIVJHDN-KRWDZBQOSA-N 1 3 291.439 1.322 20 30 CDEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@@H](C)C1)NC1CC1 ZINC000303387429 771870628 /nfs/dbraw/zinc/87/06/28/771870628.db2.gz BHLWRTWVJNMTDT-DOMZBBRYSA-N 1 3 266.433 1.824 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712926 771904982 /nfs/dbraw/zinc/90/49/82/771904982.db2.gz PVSZHVDCUMXBRP-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712926 771904987 /nfs/dbraw/zinc/90/49/87/771904987.db2.gz PVSZHVDCUMXBRP-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300127 771972045 /nfs/dbraw/zinc/97/20/45/771972045.db2.gz VOJCXSKFXVCBQL-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008300127 771972052 /nfs/dbraw/zinc/97/20/52/771972052.db2.gz VOJCXSKFXVCBQL-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999364303 772295398 /nfs/dbraw/zinc/29/53/98/772295398.db2.gz LJJAVUQWIYCXEL-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)SC ZINC000304763827 772311666 /nfs/dbraw/zinc/31/16/66/772311666.db2.gz XFYIJCKHWJDDBB-LLVKDONJSA-N 1 3 272.462 1.517 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987055382 772438404 /nfs/dbraw/zinc/43/84/04/772438404.db2.gz BTCUTLDEPBGOGN-AAEUAGOBSA-N 1 3 262.357 1.107 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052713261 772618588 /nfs/dbraw/zinc/61/85/88/772618588.db2.gz UMDOLSYDPCFXDW-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052713261 772618593 /nfs/dbraw/zinc/61/85/93/772618593.db2.gz UMDOLSYDPCFXDW-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844980 772766700 /nfs/dbraw/zinc/76/67/00/772766700.db2.gz FMGWVPLCLUJYGJ-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844980 772766702 /nfs/dbraw/zinc/76/67/02/772766702.db2.gz FMGWVPLCLUJYGJ-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330381 772856491 /nfs/dbraw/zinc/85/64/91/772856491.db2.gz SBXMWEVGQDGSOO-INIZCTEOSA-N 1 3 299.418 1.576 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200836 772857926 /nfs/dbraw/zinc/85/79/26/772857926.db2.gz HJOLGTRGCZMSBI-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009200836 772857931 /nfs/dbraw/zinc/85/79/31/772857931.db2.gz HJOLGTRGCZMSBI-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCN(C(=O)CN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000886579858 773003758 /nfs/dbraw/zinc/00/37/58/773003758.db2.gz LDOYKVQEPRGVNK-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO CN(C)C(=[NH+]C[C@@H]1N(C)CCCC1(C)C)N(C)C ZINC000849024413 773019196 /nfs/dbraw/zinc/01/91/96/773019196.db2.gz WJZRHFKESNUQEQ-LBPRGKRZSA-N 1 3 254.422 1.586 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250046 913716086 /nfs/dbraw/zinc/71/60/86/913716086.db2.gz XDUJOQGYJPMJDG-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626553 897094890 /nfs/dbraw/zinc/09/48/90/897094890.db2.gz DCOLSXKPKBWKFO-HNNXBMFYSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400822 921474262 /nfs/dbraw/zinc/47/42/62/921474262.db2.gz OLWJLKQTVDFMTR-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400822 921474267 /nfs/dbraw/zinc/47/42/67/921474267.db2.gz OLWJLKQTVDFMTR-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910737 915647434 /nfs/dbraw/zinc/64/74/34/915647434.db2.gz MIKDXCQWYOQZBJ-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549744 915878896 /nfs/dbraw/zinc/87/88/96/915878896.db2.gz IRWSQPLTIMXUKK-GJZGRUSLSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180221678 916202662 /nfs/dbraw/zinc/20/26/62/916202662.db2.gz CICQKHNLSJXSCC-STQMWFEESA-N 1 3 253.390 1.092 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000303897551 935046849 /nfs/dbraw/zinc/04/68/49/935046849.db2.gz QPJOJNDDZWTLFO-FRRDWIJNSA-N 1 3 270.421 1.046 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736324 917354383 /nfs/dbraw/zinc/35/43/83/917354383.db2.gz MOWHTQWRAKKILQ-RHSMWYFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185762114 919742880 /nfs/dbraw/zinc/74/28/80/919742880.db2.gz MFOICRVKVKALQL-LSDHHAIUSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158502 920907026 /nfs/dbraw/zinc/90/70/26/920907026.db2.gz QSGAZIYFCYAKIU-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027225 936705815 /nfs/dbraw/zinc/70/58/15/936705815.db2.gz DAICHZOAPFBKLR-ZIAGYGMSSA-N 1 3 289.423 1.121 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366494 937053970 /nfs/dbraw/zinc/05/39/70/937053970.db2.gz HEGSPXDEHVAUEH-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366494 937053973 /nfs/dbraw/zinc/05/39/73/937053973.db2.gz HEGSPXDEHVAUEH-RBSFLKMASA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001152148850 937339917 /nfs/dbraw/zinc/33/99/17/937339917.db2.gz SEBIHWHYEAGEJL-KBPBESRZSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475459 930218520 /nfs/dbraw/zinc/21/85/20/930218520.db2.gz APXRFLOBJVKMLR-LSDHHAIUSA-N 1 3 295.471 1.861 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCF)CC1 ZINC001146614552 932271785 /nfs/dbraw/zinc/27/17/85/932271785.db2.gz YJEMASAPZPSSTI-UONOGXRCSA-N 1 3 297.418 1.174 20 30 CDEDHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(C#N)s1 ZINC001146718853 932289156 /nfs/dbraw/zinc/28/91/56/932289156.db2.gz IEYYAJRSFSOGGA-UHFFFAOYSA-N 1 3 294.424 1.167 20 30 CDEDHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(C#N)s1 ZINC001146718853 932289162 /nfs/dbraw/zinc/28/91/62/932289162.db2.gz IEYYAJRSFSOGGA-UHFFFAOYSA-N 1 3 294.424 1.167 20 30 CDEDHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](C#N)CCC#N)C[C@@H](C)O1 ZINC001120480896 937802082 /nfs/dbraw/zinc/80/20/82/937802082.db2.gz GYXPYDMQVVQPBJ-BZUAXINKSA-N 1 3 292.427 1.909 20 30 CDEDHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC#CCN(C)C)c1 ZINC001120492818 937803562 /nfs/dbraw/zinc/80/35/62/937803562.db2.gz PMWTUYOUSCACDH-MRXNPFEDSA-N 1 3 290.407 1.198 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677556 939625386 /nfs/dbraw/zinc/62/53/86/939625386.db2.gz JYCZMXWTZKBTGS-GJZGRUSLSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677173 939625570 /nfs/dbraw/zinc/62/55/70/939625570.db2.gz GHQOKQVOHZWCPC-CYBMUJFWSA-N 1 3 253.390 1.000 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203516301 939690442 /nfs/dbraw/zinc/69/04/42/939690442.db2.gz XJWSSIJUUHMJEG-ZIAGYGMSSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208448192 940331114 /nfs/dbraw/zinc/33/11/14/940331114.db2.gz WEPWHUCNRUEPPA-AWEZNQCLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001209204938 940447439 /nfs/dbraw/zinc/44/74/39/940447439.db2.gz LYAZCVVFCWKTLY-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837639 940645692 /nfs/dbraw/zinc/64/56/92/940645692.db2.gz QJBYBXFPZAWFAB-UONOGXRCSA-N 1 3 290.411 1.888 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1C ZINC001214754803 940838046 /nfs/dbraw/zinc/83/80/46/940838046.db2.gz HSBVJFLGBJEYTR-RBSFLKMASA-N 1 3 297.418 1.126 20 30 CDEDHO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218558651 941236525 /nfs/dbraw/zinc/23/65/25/941236525.db2.gz JUBASCVUQPJLJU-LBPRGKRZSA-N 1 3 291.399 1.510 20 30 CDEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219112667 941309914 /nfs/dbraw/zinc/30/99/14/941309914.db2.gz PZORDUHHQARAFN-NSHDSACASA-N 1 3 264.304 1.011 20 30 CDEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221292462 941513499 /nfs/dbraw/zinc/51/34/99/941513499.db2.gz MDVYZNLZHUSLBR-HOCLYGCPSA-N 1 3 296.459 1.927 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H](C)N)CC2 ZINC001235577272 944207172 /nfs/dbraw/zinc/20/71/72/944207172.db2.gz ZCHCLUJBDWWQRY-DZGCQCFKSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H](C)N)CC2 ZINC001235577272 944207176 /nfs/dbraw/zinc/20/71/76/944207176.db2.gz ZCHCLUJBDWWQRY-DZGCQCFKSA-N 1 3 265.401 1.367 20 30 CDEDHO C[NH+]1CCC(CN2CCN([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254675080 947590210 /nfs/dbraw/zinc/59/02/10/947590210.db2.gz DXTGHVSSLXEHMB-DLBZAZTESA-N 1 3 290.455 1.638 20 30 CDEDHO C[C@@]1(CN)CCCC[N@@H+]([C@H]2CCN[C@H](C#N)C2)C1 ZINC001246597680 948335965 /nfs/dbraw/zinc/33/59/65/948335965.db2.gz YHXZREZEVRPNEB-IHRRRGAJSA-N 1 3 250.390 1.081 20 30 CDEDHO C[C@@]1(CN)CCCC[N@H+]([C@H]2CCN[C@H](C#N)C2)C1 ZINC001246597680 948335970 /nfs/dbraw/zinc/33/59/70/948335970.db2.gz YHXZREZEVRPNEB-IHRRRGAJSA-N 1 3 250.390 1.081 20 30 CDEDHO C#CCOCCOCC[NH2+]C1CCN(CC(C)C)CC1 ZINC001258004558 948677031 /nfs/dbraw/zinc/67/70/31/948677031.db2.gz GAXUPSUHEQDMMX-UHFFFAOYSA-N 1 3 282.428 1.363 20 30 CDEDHO C=CCOC[C@@H](O)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001252490602 951361044 /nfs/dbraw/zinc/36/10/44/951361044.db2.gz JRCPTUCSRMIYQG-INIZCTEOSA-N 1 3 282.428 1.404 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328281413 955250109 /nfs/dbraw/zinc/25/01/09/955250109.db2.gz CPKMQWFPSPPFDF-GJZGRUSLSA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001340853571 963156647 /nfs/dbraw/zinc/15/66/47/963156647.db2.gz OCCWLWIGDXRSRA-YPMHNXCESA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001340853571 963156650 /nfs/dbraw/zinc/15/66/50/963156650.db2.gz OCCWLWIGDXRSRA-YPMHNXCESA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892625 963573293 /nfs/dbraw/zinc/57/32/93/963573293.db2.gz IQCIUKZLUOACCJ-CHWSQXEVSA-N 1 3 265.401 1.461 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410963 968271520 /nfs/dbraw/zinc/27/15/20/968271520.db2.gz WHUWDZUIJATYEX-UHFFFAOYSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132411255 1163278166 /nfs/dbraw/zinc/27/81/66/1163278166.db2.gz XAWAUZGASZVSOH-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132411255 1163278173 /nfs/dbraw/zinc/27/81/73/1163278173.db2.gz XAWAUZGASZVSOH-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347262 1163648467 /nfs/dbraw/zinc/64/84/67/1163648467.db2.gz VSIZTLSIBNSRDC-CVEARBPZSA-N 1 3 293.455 1.424 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)C[NH+]1CCCCC1 ZINC000594441572 342907466 /nfs/dbraw/zinc/90/74/66/342907466.db2.gz STQMRXDMRZDQEY-LSDHHAIUSA-N 1 3 294.443 1.636 20 30 CDEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)nc1 ZINC000594583040 342921260 /nfs/dbraw/zinc/92/12/60/342921260.db2.gz RPSUHKLCFQDSTR-GOEBONIOSA-N 1 3 299.422 1.782 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595935175 343192424 /nfs/dbraw/zinc/19/24/24/343192424.db2.gz AQKFQAUCBQZPLT-LSDHHAIUSA-N 1 3 292.427 1.246 20 30 CDEDHO N#CCN1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000611104156 346609278 /nfs/dbraw/zinc/60/92/78/346609278.db2.gz CCQBRVNEDWGGOE-LSDHHAIUSA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000611104156 346609280 /nfs/dbraw/zinc/60/92/80/346609280.db2.gz CCQBRVNEDWGGOE-LSDHHAIUSA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000611104156 346609284 /nfs/dbraw/zinc/60/92/84/346609284.db2.gz CCQBRVNEDWGGOE-LSDHHAIUSA-N 1 3 262.401 1.191 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000069470804 349100971 /nfs/dbraw/zinc/10/09/71/349100971.db2.gz BNPDBKJVVNMDJR-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000069470804 349100976 /nfs/dbraw/zinc/10/09/76/349100976.db2.gz BNPDBKJVVNMDJR-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264123703 362973131 /nfs/dbraw/zinc/97/31/31/362973131.db2.gz VRAARCYPFFBBKD-CYBMUJFWSA-N 1 3 292.427 1.830 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261800978 359063863 /nfs/dbraw/zinc/06/38/63/359063863.db2.gz LADGZVCBUXSMFJ-CYBMUJFWSA-N 1 3 265.401 1.143 20 30 CDEDHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1C#N ZINC000266191178 370717833 /nfs/dbraw/zinc/71/78/33/370717833.db2.gz YOZYWIYSQRLEJB-UHFFFAOYSA-N 1 3 289.379 1.113 20 30 CDEDHO CC[C@H]([NH3+])CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423478439 374383046 /nfs/dbraw/zinc/38/30/46/374383046.db2.gz UPDJUXCFMOUMTG-AWEZNQCLSA-N 1 3 272.396 1.854 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417521528 377818990 /nfs/dbraw/zinc/81/89/90/377818990.db2.gz FMEYGLCINLWATN-HIFRSBDPSA-N 1 3 294.443 1.454 20 30 CDEDHO C=CCC[N@@H+](CCC)CCN1CCN(CC)CC1 ZINC000344117662 379176104 /nfs/dbraw/zinc/17/61/04/379176104.db2.gz BRWGWPNFYQTLCK-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO C=CCC[N@H+](CCC)CCN1CCN(CC)CC1 ZINC000344117662 379176109 /nfs/dbraw/zinc/17/61/09/379176109.db2.gz BRWGWPNFYQTLCK-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442710335 391728259 /nfs/dbraw/zinc/72/82/59/391728259.db2.gz CGXMPEOKZIRFLP-UKRRQHHQSA-N 1 3 264.417 1.294 20 30 CDEDHO C=CCNC(=[NH2+])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058184934 391917046 /nfs/dbraw/zinc/91/70/46/391917046.db2.gz NMODIIPCQRNMIB-INIZCTEOSA-N 1 3 286.423 1.989 20 30 CDEDHO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787166 413666347 /nfs/dbraw/zinc/66/63/47/413666347.db2.gz FBBDWGHBOSCGQQ-LSDHHAIUSA-N 1 3 279.428 1.472 20 30 CDEDHO C=CC[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000656787166 413666357 /nfs/dbraw/zinc/66/63/57/413666357.db2.gz FBBDWGHBOSCGQQ-LSDHHAIUSA-N 1 3 279.428 1.472 20 30 CDEDHO C=CCOc1ccc(C[NH2+][C@@H](C)CN)cc1OC ZINC000414957368 263161886 /nfs/dbraw/zinc/16/18/86/263161886.db2.gz QTHLAAIUWTWOTC-NSHDSACASA-N 1 3 250.342 1.697 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417527377 328496277 /nfs/dbraw/zinc/49/62/77/328496277.db2.gz NLIYKCWTIMGUDH-ZDUSSCGKSA-N 1 3 282.432 1.454 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN2C2CCCCC2)N1 ZINC000262682526 330026782 /nfs/dbraw/zinc/02/67/82/330026782.db2.gz WWGKYJQJQJWEFU-TZMCWYRMSA-N 1 3 264.417 1.721 20 30 CDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000424174669 330314424 /nfs/dbraw/zinc/31/44/24/330314424.db2.gz NBYNRYXUZJPTOF-LBPRGKRZSA-N 1 3 290.342 1.431 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000328127067 330322642 /nfs/dbraw/zinc/32/26/42/330322642.db2.gz UROSGSGKOUYDKR-SOUVJXGZSA-N 1 3 251.418 1.260 20 30 CDEDHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000442774974 330782105 /nfs/dbraw/zinc/78/21/05/330782105.db2.gz FQBYOFUJBDXUQD-HOCLYGCPSA-N 1 3 290.455 1.827 20 30 CDEDHO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001755560414 1160218970 /nfs/dbraw/zinc/21/89/70/1160218970.db2.gz WHGZZQOSESPGOJ-HNNXBMFYSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842205 1184928604 /nfs/dbraw/zinc/92/86/04/1184928604.db2.gz VSLFQJHLSRRXSU-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO CC(C#N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000344619428 534283093 /nfs/dbraw/zinc/28/30/93/534283093.db2.gz QSICVQMPPRJUPD-DGCLKSJQSA-N 1 3 251.374 1.773 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000764607058 575924483 /nfs/dbraw/zinc/92/44/83/575924483.db2.gz UAQHZXYDCNYUDT-UHFFFAOYSA-N 1 3 297.443 1.064 20 30 CDEDHO C#CCCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000760215578 576466728 /nfs/dbraw/zinc/46/67/28/576466728.db2.gz HTNUAGLMPREESR-MRXNPFEDSA-N 1 3 293.455 1.664 20 30 CDEDHO C#CCCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000760215578 576466731 /nfs/dbraw/zinc/46/67/31/576466731.db2.gz HTNUAGLMPREESR-MRXNPFEDSA-N 1 3 293.455 1.664 20 30 CDEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001690128026 1175382491 /nfs/dbraw/zinc/38/24/91/1175382491.db2.gz IRDDBHMLQLDYMQ-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000948069794 613131247 /nfs/dbraw/zinc/13/12/47/613131247.db2.gz KNDAWOVYUHYVNW-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000948069794 613131248 /nfs/dbraw/zinc/13/12/48/613131248.db2.gz KNDAWOVYUHYVNW-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1CC ZINC000962767090 613838807 /nfs/dbraw/zinc/83/88/07/613838807.db2.gz UREPQVKHVDXBGP-LJISPDSOSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1CC ZINC000962767090 613838809 /nfs/dbraw/zinc/83/88/09/613838809.db2.gz UREPQVKHVDXBGP-LJISPDSOSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960330575 613870878 /nfs/dbraw/zinc/87/08/78/613870878.db2.gz UVQOZIAOFBVMQR-DJIMGWMZSA-N 1 3 299.418 1.496 20 30 CDEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960330575 613870880 /nfs/dbraw/zinc/87/08/80/613870880.db2.gz UVQOZIAOFBVMQR-DJIMGWMZSA-N 1 3 299.418 1.496 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911655880 629402002 /nfs/dbraw/zinc/40/20/02/629402002.db2.gz KWIMNSYIWIXVCZ-KGLIPLIRSA-N 1 3 269.433 1.885 20 30 CDEDHO C#C[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397604926 1158586853 /nfs/dbraw/zinc/58/68/53/1158586853.db2.gz PKEHBLIXYXXWAK-OAHLLOKOSA-N 1 3 272.392 1.625 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)CN(CC)CC ZINC001153653831 1164813324 /nfs/dbraw/zinc/81/33/24/1164813324.db2.gz HJGBQOWHYJCSJG-ZIAGYGMSSA-N 1 3 287.423 1.679 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CN(CC)CC ZINC001153653831 1164813331 /nfs/dbraw/zinc/81/33/31/1164813331.db2.gz HJGBQOWHYJCSJG-ZIAGYGMSSA-N 1 3 287.423 1.679 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001731670710 1182511792 /nfs/dbraw/zinc/51/17/92/1182511792.db2.gz FCUCVWXNTOXOJF-KBPBESRZSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518463 1184875336 /nfs/dbraw/zinc/87/53/36/1184875336.db2.gz UVPIJTCCNRQCSK-CQSZACIVSA-N 1 3 290.411 1.699 20 30 CDEDHO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518463 1184875340 /nfs/dbraw/zinc/87/53/40/1184875340.db2.gz UVPIJTCCNRQCSK-CQSZACIVSA-N 1 3 290.411 1.699 20 30 CDEDHO CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752587959 1184879833 /nfs/dbraw/zinc/87/98/33/1184879833.db2.gz TVAYLVGMJGVFEJ-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001752587959 1184879834 /nfs/dbraw/zinc/87/98/34/1184879834.db2.gz TVAYLVGMJGVFEJ-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001752737821 1184903384 /nfs/dbraw/zinc/90/33/84/1184903384.db2.gz QWFCRIIVDHOLHW-FRRDWIJNSA-N 1 3 253.390 1.140 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001752788453 1184913943 /nfs/dbraw/zinc/91/39/43/1184913943.db2.gz JYHLFUISUIKDRU-HNNXBMFYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001752788453 1184913947 /nfs/dbraw/zinc/91/39/47/1184913947.db2.gz JYHLFUISUIKDRU-HNNXBMFYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753053790 1185024901 /nfs/dbraw/zinc/02/49/01/1185024901.db2.gz UKAVABYTHGUTPZ-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753053790 1185024908 /nfs/dbraw/zinc/02/49/08/1185024908.db2.gz UKAVABYTHGUTPZ-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130944 1185077939 /nfs/dbraw/zinc/07/79/39/1185077939.db2.gz JKTXKVIRUVURTD-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130944 1185077942 /nfs/dbraw/zinc/07/79/42/1185077942.db2.gz JKTXKVIRUVURTD-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753815375 1185342432 /nfs/dbraw/zinc/34/24/32/1185342432.db2.gz MCOAXMLSEQLMAT-OLZOCXBDSA-N 1 3 276.384 1.355 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001754611830 1185683821 /nfs/dbraw/zinc/68/38/21/1185683821.db2.gz UPWCJSQVYYHGSW-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001754648691 1185692934 /nfs/dbraw/zinc/69/29/34/1185692934.db2.gz DLBZESRUSRKCGM-INIZCTEOSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCN(C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001755197258 1185850463 /nfs/dbraw/zinc/85/04/63/1185850463.db2.gz HBTFOUVBFUDHCD-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001755526178 1185980359 /nfs/dbraw/zinc/98/03/59/1185980359.db2.gz BTRWARTXWOKEOT-CABCVRRESA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000687584 774101810 /nfs/dbraw/zinc/10/18/10/774101810.db2.gz SSUDURSYZGHCHG-INIZCTEOSA-N 1 3 289.423 1.263 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001036059204 774254604 /nfs/dbraw/zinc/25/46/04/774254604.db2.gz CXKBYAIDKVZJTR-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406706 774485851 /nfs/dbraw/zinc/48/58/51/774485851.db2.gz PSMPICFPBHJKRT-HSBZDZAISA-N 1 3 299.846 1.802 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999406706 774485861 /nfs/dbraw/zinc/48/58/61/774485861.db2.gz PSMPICFPBHJKRT-HSBZDZAISA-N 1 3 299.846 1.802 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795970 775082697 /nfs/dbraw/zinc/08/26/97/775082697.db2.gz FLYCOTRUDVATRY-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC000987252301 775209621 /nfs/dbraw/zinc/20/96/21/775209621.db2.gz FDNCJAXZPRIZLJ-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000996715969 775338571 /nfs/dbraw/zinc/33/85/71/775338571.db2.gz HIUXACIXORPGJU-CYBMUJFWSA-N 1 3 287.835 1.660 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046834240 775671134 /nfs/dbraw/zinc/67/11/34/775671134.db2.gz PEOIOIKYPFNKQY-UKRRQHHQSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046834240 775671142 /nfs/dbraw/zinc/67/11/42/775671142.db2.gz PEOIOIKYPFNKQY-UKRRQHHQSA-N 1 3 265.401 1.095 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOCC(C)C ZINC000303770003 776398598 /nfs/dbraw/zinc/39/85/98/776398598.db2.gz BJVTUBRHOMBJSV-CQSZACIVSA-N 1 3 284.448 1.438 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033835328 776890442 /nfs/dbraw/zinc/89/04/42/776890442.db2.gz YECGRKTZQHOJJO-BZUAXINKSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033835328 776890445 /nfs/dbraw/zinc/89/04/45/776890445.db2.gz YECGRKTZQHOJJO-BZUAXINKSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602808 777134876 /nfs/dbraw/zinc/13/48/76/777134876.db2.gz CJJSVAMAVIWOFD-HOTGVXAUSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989448911 777514901 /nfs/dbraw/zinc/51/49/01/777514901.db2.gz ABADEPFAMJXULM-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007802462 777538566 /nfs/dbraw/zinc/53/85/66/777538566.db2.gz YCNFRVGAHZNBHT-CQSZACIVSA-N 1 3 284.363 1.715 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044629616 777776663 /nfs/dbraw/zinc/77/66/63/777776663.db2.gz NTZSFGOQFMIUII-KBPBESRZSA-N 1 3 277.412 1.073 20 30 CDEDHO CCCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000385410434 777845892 /nfs/dbraw/zinc/84/58/92/777845892.db2.gz RMRIFJVHDXDTOG-HNNXBMFYSA-N 1 3 253.434 1.936 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035794558 777994366 /nfs/dbraw/zinc/99/43/66/777994366.db2.gz FWVONVQDOVVNKP-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035794558 777994381 /nfs/dbraw/zinc/99/43/81/777994381.db2.gz FWVONVQDOVVNKP-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001054742258 778400445 /nfs/dbraw/zinc/40/04/45/778400445.db2.gz YUCMIDXDXOCGJO-KGLIPLIRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050663402 778515546 /nfs/dbraw/zinc/51/55/46/778515546.db2.gz TWLPJZWMGMPNNM-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166560 778833002 /nfs/dbraw/zinc/83/30/02/778833002.db2.gz QDYCHRDSHSKEPZ-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166560 778833003 /nfs/dbraw/zinc/83/30/03/778833003.db2.gz QDYCHRDSHSKEPZ-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992506717 778978505 /nfs/dbraw/zinc/97/85/05/778978505.db2.gz UHGTXEMAYOZPRP-HLLBOEOZSA-N 1 3 289.423 1.075 20 30 CDEDHO CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992506717 778978514 /nfs/dbraw/zinc/97/85/14/778978514.db2.gz UHGTXEMAYOZPRP-HLLBOEOZSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480856 778988289 /nfs/dbraw/zinc/98/82/89/778988289.db2.gz GTLXNGCQCUJXOU-KLHDSHLOSA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480856 778988299 /nfs/dbraw/zinc/98/82/99/778988299.db2.gz GTLXNGCQCUJXOU-KLHDSHLOSA-N 1 3 291.439 1.578 20 30 CDEDHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049841672 779000965 /nfs/dbraw/zinc/00/09/65/779000965.db2.gz SZMFIYWCNXYAEI-HRCADAONSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049841672 779000973 /nfs/dbraw/zinc/00/09/73/779000973.db2.gz SZMFIYWCNXYAEI-HRCADAONSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950099 779338008 /nfs/dbraw/zinc/33/80/08/779338008.db2.gz QBNWALMVJODIRQ-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950099 779338013 /nfs/dbraw/zinc/33/80/13/779338013.db2.gz QBNWALMVJODIRQ-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006300708 779976653 /nfs/dbraw/zinc/97/66/53/779976653.db2.gz YDXQABWURXIZOC-UHFFFAOYSA-N 1 3 277.412 1.191 20 30 CDEDHO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353648 780003895 /nfs/dbraw/zinc/00/38/95/780003895.db2.gz IOUPKOUDIVPLBE-INIZCTEOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041353648 780003905 /nfs/dbraw/zinc/00/39/05/780003905.db2.gz IOUPKOUDIVPLBE-INIZCTEOSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249222 913712773 /nfs/dbraw/zinc/71/27/73/913712773.db2.gz CTISVYTVVTVCML-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175769651 913781406 /nfs/dbraw/zinc/78/14/06/913781406.db2.gz TZQQTPRVPIKSPO-AWEZNQCLSA-N 1 3 269.433 1.779 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666271 914114255 /nfs/dbraw/zinc/11/42/55/914114255.db2.gz ISORUUIVWKULOJ-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106664957 914114070 /nfs/dbraw/zinc/11/40/70/914114070.db2.gz DCGNUTKVMTYERN-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889866 914340262 /nfs/dbraw/zinc/34/02/62/914340262.db2.gz GUIXZBKNHQPKKA-UHFFFAOYSA-N 1 3 287.407 1.481 20 30 CDEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104937815 899688395 /nfs/dbraw/zinc/68/83/95/899688395.db2.gz IEGHVAXWRBZXBM-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CCCCC1 ZINC001161248161 902091998 /nfs/dbraw/zinc/09/19/98/902091998.db2.gz RNUVLXZBFFDRPC-RHSMWYFYSA-N 1 3 291.439 1.533 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088327277 906902832 /nfs/dbraw/zinc/90/28/32/906902832.db2.gz JKITWJSGAMTTRO-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001272158693 908649794 /nfs/dbraw/zinc/64/97/94/908649794.db2.gz SAQBIMRKPMBVGM-HNNXBMFYSA-N 1 3 283.460 1.929 20 30 CDEDHO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001272158693 908649798 /nfs/dbraw/zinc/64/97/98/908649798.db2.gz SAQBIMRKPMBVGM-HNNXBMFYSA-N 1 3 283.460 1.929 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089732165 915572084 /nfs/dbraw/zinc/57/20/84/915572084.db2.gz NUELWUOMNWCXKD-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732165 915572104 /nfs/dbraw/zinc/57/21/04/915572104.db2.gz NUELWUOMNWCXKD-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185548274 919650209 /nfs/dbraw/zinc/65/02/09/919650209.db2.gz KZTXWHHZEGDOCZ-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCN(C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192387764 923051684 /nfs/dbraw/zinc/05/16/84/923051684.db2.gz ZAYMMKZKFSVBSV-CQSZACIVSA-N 1 3 279.428 1.130 20 30 CDEDHO C#CCN(C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387764 923051692 /nfs/dbraw/zinc/05/16/92/923051692.db2.gz ZAYMMKZKFSVBSV-CQSZACIVSA-N 1 3 279.428 1.130 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579760 925798556 /nfs/dbraw/zinc/79/85/56/925798556.db2.gz CMOBRNRDDYUGIY-OAHLLOKOSA-N 1 3 293.455 1.711 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600988 937067862 /nfs/dbraw/zinc/06/78/62/937067862.db2.gz GCFDLPMKTSNAQG-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600988 937067865 /nfs/dbraw/zinc/06/78/65/937067865.db2.gz GCFDLPMKTSNAQG-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672404 929006016 /nfs/dbraw/zinc/00/60/16/929006016.db2.gz DKKBFORPANVSSS-RDBSUJKOSA-N 1 3 265.401 1.236 20 30 CDEDHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001135511641 930243261 /nfs/dbraw/zinc/24/32/61/930243261.db2.gz WTJPUEHWPZOMSK-UHFFFAOYSA-N 1 3 294.424 1.167 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153381208 937443576 /nfs/dbraw/zinc/44/35/76/937443576.db2.gz FVRYGXTUVKYYOG-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153492337 937448119 /nfs/dbraw/zinc/44/81/19/937448119.db2.gz YDQMMEDHJPIQLE-RBSFLKMASA-N 1 3 279.428 1.177 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153492337 937448120 /nfs/dbraw/zinc/44/81/20/937448120.db2.gz YDQMMEDHJPIQLE-RBSFLKMASA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910440 937482360 /nfs/dbraw/zinc/48/23/60/937482360.db2.gz PRZTVMHUYKNWMQ-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910440 937482361 /nfs/dbraw/zinc/48/23/61/937482361.db2.gz PRZTVMHUYKNWMQ-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC)CC1 ZINC001146609689 932271687 /nfs/dbraw/zinc/27/16/87/932271687.db2.gz GAYSRCIDXLBCFM-LSDHHAIUSA-N 1 3 293.455 1.615 20 30 CDEDHO CC[N@H+](C)CCC(=O)NCCNCc1cccc(C#N)c1 ZINC001146718702 932289001 /nfs/dbraw/zinc/28/90/01/932289001.db2.gz FUSIVUZYKRZMKP-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO CC[N@@H+](C)CCC(=O)NCCNCc1cccc(C#N)c1 ZINC001146718702 932289006 /nfs/dbraw/zinc/28/90/06/932289006.db2.gz FUSIVUZYKRZMKP-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001147657796 932569660 /nfs/dbraw/zinc/56/96/60/932569660.db2.gz CENBZQITSZEAAP-AWEZNQCLSA-N 1 3 297.418 1.387 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001147657796 932569663 /nfs/dbraw/zinc/56/96/63/932569663.db2.gz CENBZQITSZEAAP-AWEZNQCLSA-N 1 3 297.418 1.387 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180905 937645460 /nfs/dbraw/zinc/64/54/60/937645460.db2.gz WAGNMCWZZQLLGK-HZPDHXFCSA-N 1 3 295.471 1.957 20 30 CDEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001097444462 936303159 /nfs/dbraw/zinc/30/31/59/936303159.db2.gz ZXAZZYNIHRVFEC-BMFZPTHFSA-N 1 3 296.374 1.855 20 30 CDEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001097444462 936303163 /nfs/dbraw/zinc/30/31/63/936303163.db2.gz ZXAZZYNIHRVFEC-BMFZPTHFSA-N 1 3 296.374 1.855 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC001122004973 937898480 /nfs/dbraw/zinc/89/84/80/937898480.db2.gz UDGINLZQJXGYFX-KGLIPLIRSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001122020217 937899812 /nfs/dbraw/zinc/89/98/12/937899812.db2.gz FFZLTSOQQCFISN-GJZGRUSLSA-N 1 3 279.428 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136443 937907884 /nfs/dbraw/zinc/90/78/84/937907884.db2.gz JVARKKDNWLPUDF-KGLIPLIRSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001122136443 937907885 /nfs/dbraw/zinc/90/78/85/937907885.db2.gz JVARKKDNWLPUDF-KGLIPLIRSA-N 1 3 281.444 1.907 20 30 CDEDHO CN1CC[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001156575802 938387943 /nfs/dbraw/zinc/38/79/43/938387943.db2.gz MDZOWCRIIVQADO-LBPRGKRZSA-N 1 3 271.368 1.105 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961572 938438781 /nfs/dbraw/zinc/43/87/81/938438781.db2.gz XEGZWXZGLZPFDG-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC=C)CC1 ZINC001157091832 938452999 /nfs/dbraw/zinc/45/29/99/938452999.db2.gz DMQMNZCYMFJFOP-OAHLLOKOSA-N 1 3 291.439 1.344 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C)CC1 ZINC001157091832 938453000 /nfs/dbraw/zinc/45/30/00/938453000.db2.gz DMQMNZCYMFJFOP-OAHLLOKOSA-N 1 3 291.439 1.344 20 30 CDEDHO N#Cc1c2c(sc1N=C1CC[NH2+]CC1)CNCC2 ZINC001159159922 938706915 /nfs/dbraw/zinc/70/69/15/938706915.db2.gz UQVVZUUYMPMVGF-UHFFFAOYSA-N 1 3 260.366 1.555 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160267063 938778134 /nfs/dbraw/zinc/77/81/34/938778134.db2.gz JUZGRXOEGHCFCB-ZDUSSCGKSA-N 1 3 287.835 1.709 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160267063 938778136 /nfs/dbraw/zinc/77/81/36/938778136.db2.gz JUZGRXOEGHCFCB-ZDUSSCGKSA-N 1 3 287.835 1.709 20 30 CDEDHO C=CCN(C(=O)[C@@H](N)CCC[NH3+])C1CCCCC1 ZINC001161248291 938882607 /nfs/dbraw/zinc/88/26/07/938882607.db2.gz XFBJQAWHYWEXSJ-ZDUSSCGKSA-N 1 3 253.390 1.400 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203521335 939690805 /nfs/dbraw/zinc/69/08/05/939690805.db2.gz ITYBPIVLHIFUML-CABCVRRESA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791434 939704435 /nfs/dbraw/zinc/70/44/35/939704435.db2.gz INZHVBAMKGCJOI-ZIAGYGMSSA-N 1 3 279.428 1.530 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855603 940841367 /nfs/dbraw/zinc/84/13/67/940841367.db2.gz HWWSVBPEEGAQJA-FVQBIDKESA-N 1 3 293.455 1.729 20 30 CDEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219112632 941309844 /nfs/dbraw/zinc/30/98/44/941309844.db2.gz OQDJVLMUFDWIPL-CQSZACIVSA-N 1 3 290.342 1.271 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408626 941532634 /nfs/dbraw/zinc/53/26/34/941532634.db2.gz JTHGPZZSUACHJG-JKSUJKDBSA-N 1 3 293.455 1.955 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001224592449 941773132 /nfs/dbraw/zinc/77/31/32/941773132.db2.gz KXZDHYFNHDTTJM-HNNXBMFYSA-N 1 3 281.444 1.731 20 30 CDEDHO N#CC[C@@H](O)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001473807361 970857642 /nfs/dbraw/zinc/85/76/42/970857642.db2.gz NWQKVVOWEUDOJJ-FGTMMUONSA-N 1 3 299.418 1.715 20 30 CDEDHO N#CC[C@@H](O)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001473807361 970857650 /nfs/dbraw/zinc/85/76/50/970857650.db2.gz NWQKVVOWEUDOJJ-FGTMMUONSA-N 1 3 299.418 1.715 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)CN(CC)CC)CC1 ZINC001229685693 942512766 /nfs/dbraw/zinc/51/27/66/942512766.db2.gz IHBHAWJIYUPUFI-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001265193679 944266865 /nfs/dbraw/zinc/26/68/65/944266865.db2.gz QIUOBBXMQYYGCQ-OAHLLOKOSA-N 1 3 279.428 1.273 20 30 CDEDHO CN1CCC=C(c2ccc(N3CC[NH2+]CC3)c(C#N)c2)C1 ZINC001241569473 946354200 /nfs/dbraw/zinc/35/42/00/946354200.db2.gz AWQBQFTURUKGMC-UHFFFAOYSA-N 1 3 282.391 1.687 20 30 CDEDHO O=C1C=C2CN([C@@H]3CC4CC[NH+](CC4)C3)CCC2S1 ZINC001254857262 947635647 /nfs/dbraw/zinc/63/56/47/947635647.db2.gz ZCGNQYNMLNJKNT-ZIAGYGMSSA-N 1 3 278.421 1.745 20 30 CDEDHO C=CCCCCCC[C@@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047174 947915378 /nfs/dbraw/zinc/91/53/78/947915378.db2.gz PXMNMLPXJUOEKY-LVYZTWJOSA-N 1 3 296.455 1.779 20 30 CDEDHO CC[C@H](CC#N)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001246145357 947987286 /nfs/dbraw/zinc/98/72/86/947987286.db2.gz MONBARIKEXOUBB-CHWSQXEVSA-N 1 3 250.390 1.142 20 30 CDEDHO C#CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251848246 950865220 /nfs/dbraw/zinc/86/52/20/950865220.db2.gz XBBPBUWLQPRJBN-DLBZAZTESA-N 1 3 294.439 1.338 20 30 CDEDHO C#CCOC[C@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251848246 950865240 /nfs/dbraw/zinc/86/52/40/950865240.db2.gz XBBPBUWLQPRJBN-DLBZAZTESA-N 1 3 294.439 1.338 20 30 CDEDHO CC[NH+](CC)CCNCCC(=O)Nc1cccc(C#N)c1 ZINC001325891759 954128071 /nfs/dbraw/zinc/12/80/71/954128071.db2.gz NXOYKFWUNKHBRI-UHFFFAOYSA-N 1 3 288.395 1.818 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001340185662 962799906 /nfs/dbraw/zinc/79/99/06/962799906.db2.gz VYHKHWHJYAWGJV-OLZOCXBDSA-N 1 3 253.390 1.126 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426461 968310418 /nfs/dbraw/zinc/31/04/18/968310418.db2.gz JJSSJAJUNHAFRH-NRXISQOPSA-N 1 3 281.444 1.633 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001574902537 1171042741 /nfs/dbraw/zinc/04/27/41/1171042741.db2.gz CBQJKROCPMIZAT-DZGCQCFKSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC001574921285 1171050156 /nfs/dbraw/zinc/05/01/56/1171050156.db2.gz XAEPQWQPBHLTGO-CQSZACIVSA-N 1 3 283.460 1.977 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635530642 361768441 /nfs/dbraw/zinc/76/84/41/361768441.db2.gz GIVWBIBYHOOEBA-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635530642 361768445 /nfs/dbraw/zinc/76/84/45/361768445.db2.gz GIVWBIBYHOOEBA-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612051 343842214 /nfs/dbraw/zinc/84/22/14/343842214.db2.gz YJWUWMYNGDXLPV-UONOGXRCSA-N 1 3 267.417 1.703 20 30 CDEDHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612051 343842215 /nfs/dbraw/zinc/84/22/15/343842215.db2.gz YJWUWMYNGDXLPV-UONOGXRCSA-N 1 3 267.417 1.703 20 30 CDEDHO COCC1(CNCc2ccc(C#N)o2)CC[NH2+]CC1 ZINC000600770404 349880239 /nfs/dbraw/zinc/88/02/39/349880239.db2.gz YNTJDPSLSHWZCX-UHFFFAOYSA-N 1 3 263.341 1.257 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CCC)CC2)CC1 ZINC000074254491 349208545 /nfs/dbraw/zinc/20/85/45/349208545.db2.gz BGVXXOVYKSGCHH-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CCC)CC2)CC1 ZINC000074254491 349208547 /nfs/dbraw/zinc/20/85/47/349208547.db2.gz BGVXXOVYKSGCHH-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C[N@H+](CCCCNCc1cccc(C#N)n1)C1CC1 ZINC000602689692 350142072 /nfs/dbraw/zinc/14/20/72/350142072.db2.gz XTECAWYWNDMPEY-UHFFFAOYSA-N 1 3 258.369 1.917 20 30 CDEDHO C[N@@H+](CCCCNCc1cccc(C#N)n1)C1CC1 ZINC000602689692 350142075 /nfs/dbraw/zinc/14/20/75/350142075.db2.gz XTECAWYWNDMPEY-UHFFFAOYSA-N 1 3 258.369 1.917 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(O)cc1 ZINC000264058023 362954176 /nfs/dbraw/zinc/95/41/76/362954176.db2.gz BSVCKLZNUQHRQA-AWEZNQCLSA-N 1 3 290.411 1.323 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264091742 362963763 /nfs/dbraw/zinc/96/37/63/362963763.db2.gz LFWDMLOMPYKOHL-ZDUSSCGKSA-N 1 3 276.384 1.906 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449348287 358386881 /nfs/dbraw/zinc/38/68/81/358386881.db2.gz SPVYDIHGFYCOOP-UKRRQHHQSA-N 1 3 279.428 1.661 20 30 CDEDHO CN(C)CCOc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170911394 365161046 /nfs/dbraw/zinc/16/10/46/365161046.db2.gz GUGZEXFBZZPFPY-UHFFFAOYSA-N 1 3 264.373 1.003 20 30 CDEDHO C[C@H](C(=O)N(C)CCC#N)N1CCC(CC[NH+](C)C)CC1 ZINC000056524047 375804607 /nfs/dbraw/zinc/80/46/07/375804607.db2.gz HGZHOSATSWDEAQ-CQSZACIVSA-N 1 3 294.443 1.411 20 30 CDEDHO C=CCN1CC[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331216 376329227 /nfs/dbraw/zinc/32/92/27/376329227.db2.gz DJYDCTOQWBMQIM-CABCVRRESA-N 1 3 277.412 1.237 20 30 CDEDHO CN1CCCN(CCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174354841 379461515 /nfs/dbraw/zinc/46/15/15/379461515.db2.gz ZZAKCBLKJZVIMZ-UHFFFAOYSA-N 1 3 280.460 1.934 20 30 CDEDHO COCCC[NH+]1CCC(N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442778544 391029289 /nfs/dbraw/zinc/02/92/89/391029289.db2.gz HDQXSFHXLZZWIA-HIFRSBDPSA-N 1 3 265.401 1.769 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)C2)CC1 ZINC000373171770 391108507 /nfs/dbraw/zinc/10/85/07/391108507.db2.gz BVQPVNJLQKFMSK-XHSDSOJGSA-N 1 3 290.455 1.827 20 30 CDEDHO C[C@H](N)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423228160 397602865 /nfs/dbraw/zinc/60/28/65/397602865.db2.gz YJWWQPCUIOWMET-ZDUSSCGKSA-N 1 3 272.396 1.854 20 30 CDEDHO C[C@H]([NH3+])CCNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423228160 397602868 /nfs/dbraw/zinc/60/28/68/397602868.db2.gz YJWWQPCUIOWMET-ZDUSSCGKSA-N 1 3 272.396 1.854 20 30 CDEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000188725595 329370600 /nfs/dbraw/zinc/37/06/00/329370600.db2.gz BNLOYXRSZCTBJX-RRFJBIMHSA-N 1 3 297.418 1.501 20 30 CDEDHO CC[NH+]=C(NCC1(O)CCC1)NC1CCN(C2CC2)CC1 ZINC000262810366 330033174 /nfs/dbraw/zinc/03/31/74/330033174.db2.gz UXLVEONSGOUSDD-UHFFFAOYSA-N 1 3 294.443 1.083 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263290162 330051792 /nfs/dbraw/zinc/05/17/92/330051792.db2.gz VOPSKJYHESLRAZ-GDBMZVCRSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423149065 330172953 /nfs/dbraw/zinc/17/29/53/330172953.db2.gz AGTDLDWSOQXFGY-GXTWGEPZSA-N 1 3 263.385 1.826 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[NH+]1CCC(C)CC1 ZINC000424140620 330281198 /nfs/dbraw/zinc/28/11/98/330281198.db2.gz BMBVJKKFNWAXDN-KBPBESRZSA-N 1 3 280.416 1.244 20 30 CDEDHO C#CCN1CCC(C(=O)NCCCC[NH+](CC)CC)CC1 ZINC000490762750 332113947 /nfs/dbraw/zinc/11/39/47/332113947.db2.gz LVSKKFXEXBULFE-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO C#CCN1CCC(C(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000491339619 332193187 /nfs/dbraw/zinc/19/31/87/332193187.db2.gz REXVCMUYQIZDTB-UHFFFAOYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCN1CC[C@@]2(CCC[N@H+]2CC(C)(C)CN(C)C)C1=O ZINC001272870621 1161424706 /nfs/dbraw/zinc/42/47/06/1161424706.db2.gz RQBVSPDKHAIUCZ-KRWDZBQOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1CC[C@@]2(CCC[N@@H+]2CC(C)(C)CN(C)C)C1=O ZINC001272870621 1161424710 /nfs/dbraw/zinc/42/47/10/1161424710.db2.gz RQBVSPDKHAIUCZ-KRWDZBQOSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244246 613008204 /nfs/dbraw/zinc/00/82/04/613008204.db2.gz GFQZDPXRDGIWNH-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948244246 613008205 /nfs/dbraw/zinc/00/82/05/613008205.db2.gz GFQZDPXRDGIWNH-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977451995 613037320 /nfs/dbraw/zinc/03/73/20/613037320.db2.gz KBAQOQOAFDVLPG-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977451995 613037322 /nfs/dbraw/zinc/03/73/22/613037322.db2.gz KBAQOQOAFDVLPG-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674518 613610458 /nfs/dbraw/zinc/61/04/58/613610458.db2.gz UPVOAVGXYQVRLZ-CYBMUJFWSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674518 613610460 /nfs/dbraw/zinc/61/04/60/613610460.db2.gz UPVOAVGXYQVRLZ-CYBMUJFWSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972649858 613626979 /nfs/dbraw/zinc/62/69/79/613626979.db2.gz GBGDHMJIHLOZKX-INIZCTEOSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013590 613678222 /nfs/dbraw/zinc/67/82/22/613678222.db2.gz WRLGPSYJHDFWRH-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013590 613678224 /nfs/dbraw/zinc/67/82/24/613678224.db2.gz WRLGPSYJHDFWRH-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942556368 613778998 /nfs/dbraw/zinc/77/89/98/613778998.db2.gz ZWOQBOKVSYTZJX-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942556368 613779002 /nfs/dbraw/zinc/77/90/02/613779002.db2.gz ZWOQBOKVSYTZJX-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784878 613832754 /nfs/dbraw/zinc/83/27/54/613832754.db2.gz YWGFIICGLCHPKT-XHSDSOJGSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784878 613832755 /nfs/dbraw/zinc/83/27/55/613832755.db2.gz YWGFIICGLCHPKT-XHSDSOJGSA-N 1 3 293.455 1.683 20 30 CDEDHO CC[C@H](CNC(=[NH2+])N1CCSCC1)N1CCCC1 ZINC000104166896 617978998 /nfs/dbraw/zinc/97/89/98/617978998.db2.gz DXJWLURDBZMJCX-GFCCVEGCSA-N 1 3 270.446 1.224 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911699288 629423551 /nfs/dbraw/zinc/42/35/51/629423551.db2.gz PEXULNRLVRNVTI-CHWSQXEVSA-N 1 3 255.406 1.542 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787783 629511862 /nfs/dbraw/zinc/51/18/62/629511862.db2.gz MEJUGTANAUDBRT-ZIAGYGMSSA-N 1 3 269.433 1.885 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911883804 629611440 /nfs/dbraw/zinc/61/14/40/629611440.db2.gz ZYYPPLCXDXCODK-SOUVJXGZSA-N 1 3 299.459 1.639 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133183372 1163598874 /nfs/dbraw/zinc/59/88/74/1163598874.db2.gz ZMACWHLFPOZVKW-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407396 1164887386 /nfs/dbraw/zinc/88/73/86/1164887386.db2.gz XUHVVQLYAQAULI-WDNDVIMCSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407396 1164887394 /nfs/dbraw/zinc/88/73/94/1164887394.db2.gz XUHVVQLYAQAULI-WDNDVIMCSA-N 1 3 277.412 1.093 20 30 CDEDHO C[C@H](CC[NH+](C)C)NCCC(=O)Nc1cccc(C#N)c1 ZINC001647232036 1168473585 /nfs/dbraw/zinc/47/35/85/1168473585.db2.gz NKBBPCZVRCPVNV-CYBMUJFWSA-N 1 3 288.395 1.817 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001713508724 1178617015 /nfs/dbraw/zinc/61/70/15/1178617015.db2.gz PJOIIDLZDRWJTF-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001713508724 1178617019 /nfs/dbraw/zinc/61/70/19/1178617019.db2.gz PJOIIDLZDRWJTF-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001752484724 1184870431 /nfs/dbraw/zinc/87/04/31/1184870431.db2.gz REBZLPPGMZQPKS-DZGCQCFKSA-N 1 3 279.428 1.389 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001755123574 1185823513 /nfs/dbraw/zinc/82/35/13/1185823513.db2.gz RAQIXSRTQKWVIC-KGLIPLIRSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000862791805 782490196 /nfs/dbraw/zinc/49/01/96/782490196.db2.gz HVVQIMFYQNXRLV-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000862791805 782490209 /nfs/dbraw/zinc/49/02/09/782490209.db2.gz HVVQIMFYQNXRLV-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985468900 782565466 /nfs/dbraw/zinc/56/54/66/782565466.db2.gz CFNDAAMMODCUFZ-INIZCTEOSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985468900 782565473 /nfs/dbraw/zinc/56/54/73/782565473.db2.gz CFNDAAMMODCUFZ-INIZCTEOSA-N 1 3 293.455 1.826 20 30 CDEDHO C[N@@H+]1CC[C@@H](CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000037894341 1165808413 /nfs/dbraw/zinc/80/84/13/1165808413.db2.gz MYZATIQOBWXTMO-ZFWWWQNUSA-N 1 3 259.353 1.133 20 30 CDEDHO C[N@H+]1CC[C@@H](CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000037894341 1165808419 /nfs/dbraw/zinc/80/84/19/1165808419.db2.gz MYZATIQOBWXTMO-ZFWWWQNUSA-N 1 3 259.353 1.133 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001009634970 783063997 /nfs/dbraw/zinc/06/39/97/783063997.db2.gz KHMHGGFWHIWPSW-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001009634970 783063999 /nfs/dbraw/zinc/06/39/99/783063999.db2.gz KHMHGGFWHIWPSW-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999833573 783073461 /nfs/dbraw/zinc/07/34/61/783073461.db2.gz ZKZRVKHCNWOCTA-PNESKVBLSA-N 1 3 285.819 1.270 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999833573 783073468 /nfs/dbraw/zinc/07/34/68/783073468.db2.gz ZKZRVKHCNWOCTA-PNESKVBLSA-N 1 3 285.819 1.270 20 30 CDEDHO C=CC[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001026598448 780805431 /nfs/dbraw/zinc/80/54/31/780805431.db2.gz HNLROSFVWRCDLP-UHFFFAOYSA-N 1 3 276.384 1.464 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001000756205 781192389 /nfs/dbraw/zinc/19/23/89/781192389.db2.gz DFLPQQMPSIUCID-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001000756205 781192399 /nfs/dbraw/zinc/19/23/99/781192399.db2.gz DFLPQQMPSIUCID-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152676 781391203 /nfs/dbraw/zinc/39/12/03/781391203.db2.gz QUMRGZNMMCNSQY-JKSUJKDBSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033152676 781391217 /nfs/dbraw/zinc/39/12/17/781391217.db2.gz QUMRGZNMMCNSQY-JKSUJKDBSA-N 1 3 293.455 1.968 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000303871218 781723736 /nfs/dbraw/zinc/72/37/36/781723736.db2.gz BOOTWYPITIFQGX-KBPBESRZSA-N 1 3 284.448 1.580 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033127562 783259306 /nfs/dbraw/zinc/25/93/06/783259306.db2.gz VUYBHTHSCCJJNT-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001033127562 783259319 /nfs/dbraw/zinc/25/93/19/783259319.db2.gz VUYBHTHSCCJJNT-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175785884 913785390 /nfs/dbraw/zinc/78/53/90/913785390.db2.gz GEQLWMYACIJBEO-OAHLLOKOSA-N 1 3 281.444 1.616 20 30 CDEDHO C#CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209266951 894577016 /nfs/dbraw/zinc/57/70/16/894577016.db2.gz GWDLWGXQSNDWNI-PMPSAXMXSA-N 1 3 287.411 1.086 20 30 CDEDHO C#CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209266951 894577022 /nfs/dbraw/zinc/57/70/22/894577022.db2.gz GWDLWGXQSNDWNI-PMPSAXMXSA-N 1 3 287.411 1.086 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267576604 898489575 /nfs/dbraw/zinc/48/95/75/898489575.db2.gz UGDJJUNCQYMWIE-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001267576604 898489581 /nfs/dbraw/zinc/48/95/81/898489581.db2.gz UGDJJUNCQYMWIE-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO CC[NH+]=C(NC[C@H](C)CN1CCN(C)CC1)NC(C)(C)C ZINC000103895904 900037123 /nfs/dbraw/zinc/03/71/23/900037123.db2.gz ICCKAGYCBGUJHT-AWEZNQCLSA-N 1 3 297.491 1.224 20 30 CDEDHO N#CCOc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1 ZINC001222532517 900216489 /nfs/dbraw/zinc/21/64/89/900216489.db2.gz MPCZOMUSJDADON-UHFFFAOYSA-N 1 3 277.343 1.852 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891697 900949331 /nfs/dbraw/zinc/94/93/31/900949331.db2.gz FXQXCRMDEDNSNK-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027891697 900949343 /nfs/dbraw/zinc/94/93/43/900949343.db2.gz FXQXCRMDEDNSNK-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CC[NH+]1CCC(NC(=O)c2occc2CN(C)C)CC1 ZINC001003515133 921336563 /nfs/dbraw/zinc/33/65/63/921336563.db2.gz ZGNDIGAGXXVBQR-UHFFFAOYSA-N 1 3 289.379 1.169 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769935 910939656 /nfs/dbraw/zinc/93/96/56/910939656.db2.gz IEEQQPXWPQQDSR-UHFFFAOYSA-N 1 3 255.406 1.390 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580261 915908506 /nfs/dbraw/zinc/90/85/06/915908506.db2.gz BFSMCGURUPKOKC-INIZCTEOSA-N 1 3 293.455 1.760 20 30 CDEDHO C=C(C[NH+]1CCCC1)C(=O)N[C@]1(C)CCCN(C)C1 ZINC001183091959 918286808 /nfs/dbraw/zinc/28/68/08/918286808.db2.gz RJASBGDLCBKSAM-OAHLLOKOSA-N 1 3 265.401 1.239 20 30 CDEDHO C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050565143 936561202 /nfs/dbraw/zinc/56/12/02/936561202.db2.gz WTNXTVIRORBZFD-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185215593 919482578 /nfs/dbraw/zinc/48/25/78/919482578.db2.gz MCKPMAJUXBVRQQ-KGLIPLIRSA-N 1 3 290.411 1.603 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185361331 919546033 /nfs/dbraw/zinc/54/60/33/919546033.db2.gz YHKKQOGKWHYLTB-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185763267 919744465 /nfs/dbraw/zinc/74/44/65/919744465.db2.gz RQDWHWFEGRQQNI-CVEARBPZSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099334200 936785521 /nfs/dbraw/zinc/78/55/21/936785521.db2.gz FUAFPNQVIDWHNM-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036059202 923094019 /nfs/dbraw/zinc/09/40/19/923094019.db2.gz CXKBYAIDKVZJTR-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001079806679 924433067 /nfs/dbraw/zinc/43/30/67/924433067.db2.gz RTXRVYZLMLUVGB-OAGGEKHMSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001079806679 924433071 /nfs/dbraw/zinc/43/30/71/924433071.db2.gz RTXRVYZLMLUVGB-OAGGEKHMSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782517 924998811 /nfs/dbraw/zinc/99/88/11/924998811.db2.gz CLIMKWSDQDFBDX-OAGGEKHMSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477529 936973950 /nfs/dbraw/zinc/97/39/50/936973950.db2.gz YPQRPNDFOULIPH-ZBFHGGJFSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477529 936973951 /nfs/dbraw/zinc/97/39/51/936973951.db2.gz YPQRPNDFOULIPH-ZBFHGGJFSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606533 926205203 /nfs/dbraw/zinc/20/52/03/926205203.db2.gz PYQCLYZQGFSVFC-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085606533 926205209 /nfs/dbraw/zinc/20/52/09/926205209.db2.gz PYQCLYZQGFSVFC-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606255 926205569 /nfs/dbraw/zinc/20/55/69/926205569.db2.gz IAVYPIDNTBZXFN-RBSFLKMASA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085606255 926205578 /nfs/dbraw/zinc/20/55/78/926205578.db2.gz IAVYPIDNTBZXFN-RBSFLKMASA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085629602 926228361 /nfs/dbraw/zinc/22/83/61/926228361.db2.gz YBSHYPLWUNJAPI-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629602 926228368 /nfs/dbraw/zinc/22/83/68/926228368.db2.gz YBSHYPLWUNJAPI-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202164425 926484634 /nfs/dbraw/zinc/48/46/34/926484634.db2.gz MOBAVPFFSCDWPM-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086278258 926931239 /nfs/dbraw/zinc/93/12/39/926931239.db2.gz OFPODQRZWHWXTI-WOVMCDHWSA-N 1 3 299.418 1.479 20 30 CDEDHO C#CC(C)(C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678711 937178048 /nfs/dbraw/zinc/17/80/48/937178048.db2.gz ZEPPUEIZMCEURL-UHFFFAOYSA-N 1 3 250.386 1.631 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCC=C)CC1 ZINC001152329962 937354289 /nfs/dbraw/zinc/35/42/89/937354289.db2.gz FVENBOYCWCCNNG-UHFFFAOYSA-N 1 3 277.412 1.004 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426933 937361223 /nfs/dbraw/zinc/36/12/23/937361223.db2.gz QQJSSUIUPZOVAK-UHFFFAOYSA-N 1 3 269.433 1.779 20 30 CDEDHO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000823187860 931266487 /nfs/dbraw/zinc/26/64/87/931266487.db2.gz KUBFHYIYZXDSHB-HNNXBMFYSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000823187860 931266493 /nfs/dbraw/zinc/26/64/93/931266493.db2.gz KUBFHYIYZXDSHB-HNNXBMFYSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](CC)N(C)C ZINC001274511156 931505320 /nfs/dbraw/zinc/50/53/20/931505320.db2.gz OFYFLRRDLWMGRJ-GWJCSSMESA-N 1 3 253.390 1.165 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001091377448 932121399 /nfs/dbraw/zinc/12/13/99/932121399.db2.gz KPRDLLRFQNXZMN-UHFFFAOYSA-N 1 3 299.418 1.479 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844749 937595176 /nfs/dbraw/zinc/59/51/76/937595176.db2.gz YBJXPZDCSGZDDH-XHSDSOJGSA-N 1 3 293.455 1.567 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844749 937595178 /nfs/dbraw/zinc/59/51/78/937595178.db2.gz YBJXPZDCSGZDDH-XHSDSOJGSA-N 1 3 293.455 1.567 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147358683 932482294 /nfs/dbraw/zinc/48/22/94/932482294.db2.gz ILHUCEDQFQPJMA-HNNXBMFYSA-N 1 3 279.428 1.370 20 30 CDEDHO CC#CCNCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147358683 932482296 /nfs/dbraw/zinc/48/22/96/932482296.db2.gz ILHUCEDQFQPJMA-HNNXBMFYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096348430 936048122 /nfs/dbraw/zinc/04/81/22/936048122.db2.gz OLKUEKBDHZQJPM-WCVJEAGWSA-N 1 3 291.439 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096348430 936048125 /nfs/dbraw/zinc/04/81/25/936048125.db2.gz OLKUEKBDHZQJPM-WCVJEAGWSA-N 1 3 291.439 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355935 936049925 /nfs/dbraw/zinc/04/99/25/936049925.db2.gz IIPBTBLALHSWSC-ILXRZTDVSA-N 1 3 289.423 1.380 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793747 939704856 /nfs/dbraw/zinc/70/48/56/939704856.db2.gz TVQLFMNWGRYJTJ-LSDHHAIUSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284202 940745589 /nfs/dbraw/zinc/74/55/89/940745589.db2.gz JRZFTDRCGYRIAJ-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211311021 940746855 /nfs/dbraw/zinc/74/68/55/940746855.db2.gz YFGFORUEEDZVDC-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO N#Cc1c2c(sc1NC(=O)[C@@H]1CCCC[NH2+]1)CNCC2 ZINC001218553603 941235551 /nfs/dbraw/zinc/23/55/51/941235551.db2.gz QLZHOQAOQGNONX-NSHDSACASA-N 1 3 290.392 1.346 20 30 CDEDHO N#Cc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccc1[O-] ZINC001218955061 941293489 /nfs/dbraw/zinc/29/34/89/941293489.db2.gz WJKZOHAZUTWRDB-NSHDSACASA-N 1 3 276.340 1.049 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223525356 941684165 /nfs/dbraw/zinc/68/41/65/941684165.db2.gz SBQLTEBJXMLEEY-INIZCTEOSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227157977 942142787 /nfs/dbraw/zinc/14/27/87/942142787.db2.gz AOSVNKSUACTUBP-ZIAGYGMSSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001229746076 942525260 /nfs/dbraw/zinc/52/52/60/942525260.db2.gz HACRIEQFQUGFGH-KFWWJZLASA-N 1 3 281.444 1.920 20 30 CDEDHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(CCC#N)C2 ZINC001277938873 944132518 /nfs/dbraw/zinc/13/25/18/944132518.db2.gz GYRHZISJNRZQDW-OAHLLOKOSA-N 1 3 264.417 1.250 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001479338668 971301849 /nfs/dbraw/zinc/30/18/49/971301849.db2.gz QPNQXUGIMPJPQW-BETUJISGSA-N 1 3 287.835 1.565 20 30 CDEDHO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCCN(C)CC1 ZINC001254507486 947469678 /nfs/dbraw/zinc/46/96/78/947469678.db2.gz CABHFYBNIRKOSN-CABCVRRESA-N 1 3 251.418 1.711 20 30 CDEDHO CCCCCCCC[C@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246012598 947890258 /nfs/dbraw/zinc/89/02/58/947890258.db2.gz BJXBSBYPNKQBFU-GJZGRUSLSA-N 1 3 271.449 1.249 20 30 CDEDHO C=C[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001253606588 951990713 /nfs/dbraw/zinc/99/07/13/951990713.db2.gz KHWMYQCAXKFCKA-MRXNPFEDSA-N 1 3 275.396 1.430 20 30 CDEDHO C=C[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001253606587 951990730 /nfs/dbraw/zinc/99/07/30/951990730.db2.gz KHWMYQCAXKFCKA-INIZCTEOSA-N 1 3 275.396 1.430 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001340056710 962714565 /nfs/dbraw/zinc/71/45/65/962714565.db2.gz OPMFDBKISTXIDQ-UONOGXRCSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001340056710 962714576 /nfs/dbraw/zinc/71/45/76/962714576.db2.gz OPMFDBKISTXIDQ-UONOGXRCSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCN1CCC(NC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001341605123 963479241 /nfs/dbraw/zinc/47/92/41/963479241.db2.gz LDLAASNGEFEDFW-UHFFFAOYSA-N 1 3 287.407 1.568 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100460301 968414959 /nfs/dbraw/zinc/41/49/59/968414959.db2.gz ZDAXEPHGKFEKDE-UHFFFAOYSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100674055 968925074 /nfs/dbraw/zinc/92/50/74/968925074.db2.gz KXNIPUFJOFILRD-IYXRBSQSSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCN1CC[C@H](N2CCC3(CCC[C@@H]3C[NH3+])CC2)C1=O ZINC001574936957 1171055272 /nfs/dbraw/zinc/05/52/72/1171055272.db2.gz QGEHFJYVXGJUSH-CABCVRRESA-N 1 3 291.439 1.614 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523983 342268842 /nfs/dbraw/zinc/26/88/42/342268842.db2.gz KRZOIXUEMZPMOC-CYBMUJFWSA-N 1 3 267.417 1.341 20 30 CDEDHO CN1CCC(O)(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000077450145 342330352 /nfs/dbraw/zinc/33/03/52/342330352.db2.gz SLZMQDZABVGSGM-UHFFFAOYSA-N 1 3 259.353 1.105 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592618 343838740 /nfs/dbraw/zinc/83/87/40/343838740.db2.gz KEYMRJNGJOLVFT-QLFBSQMISA-N 1 3 279.428 1.703 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592618 343838741 /nfs/dbraw/zinc/83/87/41/343838741.db2.gz KEYMRJNGJOLVFT-QLFBSQMISA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592618 343838744 /nfs/dbraw/zinc/83/87/44/343838744.db2.gz KEYMRJNGJOLVFT-QLFBSQMISA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]21 ZINC000598592618 343838747 /nfs/dbraw/zinc/83/87/47/343838747.db2.gz KEYMRJNGJOLVFT-QLFBSQMISA-N 1 3 279.428 1.703 20 30 CDEDHO C[C@H](CNC[C@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719415 343883132 /nfs/dbraw/zinc/88/31/32/343883132.db2.gz HXPHIBTVEFWYNK-ZIAGYGMSSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CN1CCCC1 ZINC000598719415 343883133 /nfs/dbraw/zinc/88/31/33/343883133.db2.gz HXPHIBTVEFWYNK-ZIAGYGMSSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000602800711 344590494 /nfs/dbraw/zinc/59/04/94/344590494.db2.gz RVJRWXZLTLTWPZ-HZPDHXFCSA-N 1 3 290.455 1.638 20 30 CDEDHO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000602800711 344590495 /nfs/dbraw/zinc/59/04/95/344590495.db2.gz RVJRWXZLTLTWPZ-HZPDHXFCSA-N 1 3 290.455 1.638 20 30 CDEDHO CCNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264093870 362965192 /nfs/dbraw/zinc/96/51/92/362965192.db2.gz LZQCXUJFYONDMN-LBPRGKRZSA-N 1 3 280.441 1.884 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1 ZINC000264124093 362973535 /nfs/dbraw/zinc/97/35/35/362973535.db2.gz RTVOXXUVSQJZAT-CQSZACIVSA-N 1 3 278.375 1.714 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000564431147 357329716 /nfs/dbraw/zinc/32/97/16/357329716.db2.gz XMKZEJWNOLJISY-UHFFFAOYSA-N 1 3 292.427 1.246 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1cnc2c(c1)c(C)nn2C ZINC000328243068 368078606 /nfs/dbraw/zinc/07/86/06/368078606.db2.gz HQYLUKGBWIHKLN-UHFFFAOYSA-N 1 3 285.395 1.321 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1cnc2c(c1)c(C)nn2C ZINC000328243068 368078614 /nfs/dbraw/zinc/07/86/14/368078614.db2.gz HQYLUKGBWIHKLN-UHFFFAOYSA-N 1 3 285.395 1.321 20 30 CDEDHO N#CCC[C@H](C#N)CNCCCC[N@H+]1CCC[C@H]1CO ZINC000582421093 370617914 /nfs/dbraw/zinc/61/79/14/370617914.db2.gz WNIFMGJKNJYGDI-CABCVRRESA-N 1 3 278.400 1.256 20 30 CDEDHO N#CCC[C@H](C#N)CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000582421093 370617919 /nfs/dbraw/zinc/61/79/19/370617919.db2.gz WNIFMGJKNJYGDI-CABCVRRESA-N 1 3 278.400 1.256 20 30 CDEDHO CC[C@@H](N)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423462990 374383061 /nfs/dbraw/zinc/38/30/61/374383061.db2.gz KZRBHPOKFPQGSZ-MRXNPFEDSA-N 1 3 286.423 1.850 20 30 CDEDHO CC[C@@H]([NH3+])CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423462990 374383063 /nfs/dbraw/zinc/38/30/63/374383063.db2.gz KZRBHPOKFPQGSZ-MRXNPFEDSA-N 1 3 286.423 1.850 20 30 CDEDHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1C#N ZINC000281669200 195328771 /nfs/dbraw/zinc/32/87/71/195328771.db2.gz LLFCFYXLMMWMOL-UHFFFAOYSA-N 1 3 271.364 1.918 20 30 CDEDHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1C#N ZINC000281669200 195328773 /nfs/dbraw/zinc/32/87/73/195328773.db2.gz LLFCFYXLMMWMOL-UHFFFAOYSA-N 1 3 271.364 1.918 20 30 CDEDHO C=CCN1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236660638 390918169 /nfs/dbraw/zinc/91/81/69/390918169.db2.gz DZWXXINXKYDCEX-VHRNVKJDSA-N 1 3 291.439 1.674 20 30 CDEDHO CC(C#N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347055647 391384247 /nfs/dbraw/zinc/38/42/47/391384247.db2.gz APNBXFODUSIXKG-YRGRVCCFSA-N 1 3 251.374 1.773 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865442 391908513 /nfs/dbraw/zinc/90/85/13/391908513.db2.gz OFEAYGPXRJVXKE-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[C@]1(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662679964 413299399 /nfs/dbraw/zinc/29/93/99/413299399.db2.gz QNYHMOZUAQQWHR-BFYDXBDKSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662291145 423919818 /nfs/dbraw/zinc/91/98/18/423919818.db2.gz BVCLQKDHNYSYPT-HZPDHXFCSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCN1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362802643 267048970 /nfs/dbraw/zinc/04/89/70/267048970.db2.gz UOAGEKSEBKKQJC-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO CC#CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368139093 267147572 /nfs/dbraw/zinc/14/75/72/267147572.db2.gz NHCDFLQDEMPDCL-HOTGVXAUSA-N 1 3 263.429 1.358 20 30 CDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000171698067 329078561 /nfs/dbraw/zinc/07/85/61/329078561.db2.gz WZSZWTPCQIWSSV-UHFFFAOYSA-N 1 3 280.416 1.030 20 30 CDEDHO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)C(C)(C)C ZINC000262334098 330006571 /nfs/dbraw/zinc/00/65/71/330006571.db2.gz WIFOWCKEROHBDW-QWHCGFSZSA-N 1 3 264.417 1.423 20 30 CDEDHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424137278 330274760 /nfs/dbraw/zinc/27/47/60/330274760.db2.gz RWZZSWLNFWEUJI-OAHLLOKOSA-N 1 3 288.395 1.386 20 30 CDEDHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143133 330287007 /nfs/dbraw/zinc/28/70/07/330287007.db2.gz VZVNWVAMDJUHHW-GJZGRUSLSA-N 1 3 288.395 1.427 20 30 CDEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424154806 330301955 /nfs/dbraw/zinc/30/19/55/330301955.db2.gz MAMDFRWZTQAJGN-ZIAGYGMSSA-N 1 3 294.443 1.634 20 30 CDEDHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424154806 330301956 /nfs/dbraw/zinc/30/19/56/330301956.db2.gz MAMDFRWZTQAJGN-ZIAGYGMSSA-N 1 3 294.443 1.634 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155648 330303414 /nfs/dbraw/zinc/30/34/14/330303414.db2.gz NJAZQUOFQCXWKX-GXTWGEPZSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000424155648 330303415 /nfs/dbraw/zinc/30/34/15/330303415.db2.gz NJAZQUOFQCXWKX-GXTWGEPZSA-N 1 3 278.400 1.141 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000491813099 332365178 /nfs/dbraw/zinc/36/51/78/332365178.db2.gz PXLWZYWHYQAJNQ-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000491813099 332365180 /nfs/dbraw/zinc/36/51/80/332365180.db2.gz PXLWZYWHYQAJNQ-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCOc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000265917959 334689001 /nfs/dbraw/zinc/68/90/01/334689001.db2.gz ZGWOTFFGASIPOW-UHFFFAOYSA-N 1 3 288.391 1.245 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634225 1159423800 /nfs/dbraw/zinc/42/38/00/1159423800.db2.gz SRQZYAVAAPLXHI-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001754806955 1159461580 /nfs/dbraw/zinc/46/15/80/1159461580.db2.gz JTFQHKXFNIJPBS-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(CN(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000764369907 575901945 /nfs/dbraw/zinc/90/19/45/575901945.db2.gz BCMWVAOUPFMPEG-UHFFFAOYSA-N 1 3 291.395 1.683 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977452002 613031434 /nfs/dbraw/zinc/03/14/34/613031434.db2.gz KBAQOQOAFDVLPG-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977452002 613031435 /nfs/dbraw/zinc/03/14/35/613031435.db2.gz KBAQOQOAFDVLPG-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972336543 613288843 /nfs/dbraw/zinc/28/88/43/613288843.db2.gz YCNJRGXZKYVOAJ-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972336543 613288845 /nfs/dbraw/zinc/28/88/45/613288845.db2.gz YCNJRGXZKYVOAJ-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948241172 613704771 /nfs/dbraw/zinc/70/47/71/613704771.db2.gz KSPFLEGJIVBXKK-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948241172 613704772 /nfs/dbraw/zinc/70/47/72/613704772.db2.gz KSPFLEGJIVBXKK-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750582 629468926 /nfs/dbraw/zinc/46/89/26/629468926.db2.gz DRSLNKHNWHHMOH-UONOGXRCSA-N 1 3 269.433 1.933 20 30 CDEDHO C[NH+](C)CCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001133040443 1163540351 /nfs/dbraw/zinc/54/03/51/1163540351.db2.gz RLUPSXLDORTHBK-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001015217309 1166933685 /nfs/dbraw/zinc/93/36/85/1166933685.db2.gz XEUBUDLDYBQCED-CYBMUJFWSA-N 1 3 297.362 1.257 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001015217309 1166933692 /nfs/dbraw/zinc/93/36/92/1166933692.db2.gz XEUBUDLDYBQCED-CYBMUJFWSA-N 1 3 297.362 1.257 20 30 CDEDHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691965091 1175659219 /nfs/dbraw/zinc/65/92/19/1175659219.db2.gz JHVHQYFHULDGHU-HOTGVXAUSA-N 1 3 293.455 1.376 20 30 CDEDHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691965091 1175659223 /nfs/dbraw/zinc/65/92/23/1175659223.db2.gz JHVHQYFHULDGHU-HOTGVXAUSA-N 1 3 293.455 1.376 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001752806992 1184919500 /nfs/dbraw/zinc/91/95/00/1184919500.db2.gz WLVKSDOOAZFRDR-HZPDHXFCSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001753232016 1185126068 /nfs/dbraw/zinc/12/60/68/1185126068.db2.gz HIXCDCKUKUEBQC-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001753713127 1185313265 /nfs/dbraw/zinc/31/32/65/1185313265.db2.gz YVHCYXISSTVWAN-BBRMVZONSA-N 1 3 297.418 1.269 20 30 CDEDHO C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001754225393 1185516980 /nfs/dbraw/zinc/51/69/80/1185516980.db2.gz UWUDCWVVKUTUIF-CQSZACIVSA-N 1 3 281.444 1.921 20 30 CDEDHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001755201774 1185852889 /nfs/dbraw/zinc/85/28/89/1185852889.db2.gz VLDOXRCXZLBGEH-HNNXBMFYSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001755201774 1185852895 /nfs/dbraw/zinc/85/28/95/1185852895.db2.gz VLDOXRCXZLBGEH-HNNXBMFYSA-N 1 3 279.428 1.274 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001272566062 913454428 /nfs/dbraw/zinc/45/44/28/913454428.db2.gz QYVPJHHPEHBOAI-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001021088586 895100952 /nfs/dbraw/zinc/10/09/52/895100952.db2.gz UVHBUTIOYRDOAL-XUXIUFHCSA-N 1 3 265.401 1.282 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CCCC[C@H]1C ZINC000262018652 896572368 /nfs/dbraw/zinc/57/23/68/896572368.db2.gz XATLOTFZANIRDO-VXGBXAGGSA-N 1 3 254.422 1.952 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC2CC2)CC1 ZINC001176926789 914358919 /nfs/dbraw/zinc/35/89/19/914358919.db2.gz VGLHCDPNOCDZOO-UHFFFAOYSA-N 1 3 291.439 1.228 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176991454 914419683 /nfs/dbraw/zinc/41/96/83/914419683.db2.gz BJCLYZNGVDKKQM-OAHLLOKOSA-N 1 3 281.444 1.923 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167814892 901048053 /nfs/dbraw/zinc/04/80/53/901048053.db2.gz JMJIELRGYQMVRV-UHFFFAOYSA-N 1 3 281.444 1.780 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579494 902655237 /nfs/dbraw/zinc/65/52/37/902655237.db2.gz FVRDHGLVFGFBQR-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001028579494 902655243 /nfs/dbraw/zinc/65/52/43/902655243.db2.gz FVRDHGLVFGFBQR-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO COc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1C#N ZINC000087824045 906115788 /nfs/dbraw/zinc/11/57/88/906115788.db2.gz BVVSNUWSNYAUAK-CQSZACIVSA-N 1 3 273.380 1.998 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000985639580 906932519 /nfs/dbraw/zinc/93/25/19/906932519.db2.gz VESAYKMEYRTEJM-OAHLLOKOSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000985639580 906932539 /nfs/dbraw/zinc/93/25/39/906932539.db2.gz VESAYKMEYRTEJM-OAHLLOKOSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986357966 907468400 /nfs/dbraw/zinc/46/84/00/907468400.db2.gz VCFUCWUHLQAMLS-OCCSQVGLSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003627144 921364636 /nfs/dbraw/zinc/36/46/36/921364636.db2.gz DGDJILAYBFSEFF-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171500643 910805141 /nfs/dbraw/zinc/80/51/41/910805141.db2.gz MTYQXUUSXYSRNV-ZIAGYGMSSA-N 1 3 267.417 1.224 20 30 CDEDHO COCCCN1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC001172250920 911526354 /nfs/dbraw/zinc/52/63/54/911526354.db2.gz ZPKYRCYXPBJAPR-UHFFFAOYSA-N 1 3 288.395 1.544 20 30 CDEDHO CC(C)N1CCN(CC[NH2+][C@@H](C)CCCC#N)CC1 ZINC001172483522 911687272 /nfs/dbraw/zinc/68/72/72/911687272.db2.gz RTJPFFYQYWCBOG-HNNXBMFYSA-N 1 3 266.433 1.684 20 30 CDEDHO CC[N@@H+]1CCO[C@@H]2CN([C@@H](C)CCCC#N)C[C@@H]2C1 ZINC001172498130 911733956 /nfs/dbraw/zinc/73/39/56/911733956.db2.gz JBAOAISIDYJPIT-SOUVJXGZSA-N 1 3 265.401 1.721 20 30 CDEDHO CC[N@H+]1CCO[C@@H]2CN([C@@H](C)CCCC#N)C[C@@H]2C1 ZINC001172498130 911733964 /nfs/dbraw/zinc/73/39/64/911733964.db2.gz JBAOAISIDYJPIT-SOUVJXGZSA-N 1 3 265.401 1.721 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712500 936398709 /nfs/dbraw/zinc/39/87/09/936398709.db2.gz JMZSMPKTRKTXAD-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712500 936398713 /nfs/dbraw/zinc/39/87/13/936398713.db2.gz JMZSMPKTRKTXAD-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128791 917838517 /nfs/dbraw/zinc/83/85/17/917838517.db2.gz KIESBASXKXAQME-HOTGVXAUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054664952 936466413 /nfs/dbraw/zinc/46/64/13/936466413.db2.gz ZDISHGRTOBLYFK-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996354966 918250822 /nfs/dbraw/zinc/25/08/22/918250822.db2.gz KKSJFILGCQKESS-CYBMUJFWSA-N 1 3 276.384 1.355 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000381304 936529942 /nfs/dbraw/zinc/52/99/42/936529942.db2.gz YEHOVHINEFNABS-HOTGVXAUSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181213 936556765 /nfs/dbraw/zinc/55/67/65/936556765.db2.gz GDPQHDKENSBXBX-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050181213 936556767 /nfs/dbraw/zinc/55/67/67/936556767.db2.gz GDPQHDKENSBXBX-OWCLPIDISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184555937 919192498 /nfs/dbraw/zinc/19/24/98/919192498.db2.gz NEGIDNUKCRAOCJ-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185335165 919555031 /nfs/dbraw/zinc/55/50/31/919555031.db2.gz APMXXWPJOHRGJX-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072849409 936710516 /nfs/dbraw/zinc/71/05/16/936710516.db2.gz DJLAFFQMANPUKZ-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072849409 936710517 /nfs/dbraw/zinc/71/05/17/936710517.db2.gz DJLAFFQMANPUKZ-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072953197 936713115 /nfs/dbraw/zinc/71/31/15/936713115.db2.gz SCAIGQPNWDPZPP-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001072953197 936713117 /nfs/dbraw/zinc/71/31/17/936713117.db2.gz SCAIGQPNWDPZPP-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044745790 922081059 /nfs/dbraw/zinc/08/10/59/922081059.db2.gz ZUZIZURRKXHROU-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675063 922130710 /nfs/dbraw/zinc/13/07/10/922130710.db2.gz GZYPYPLQCKLETI-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675063 922130715 /nfs/dbraw/zinc/13/07/15/922130715.db2.gz GZYPYPLQCKLETI-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192946726 923330252 /nfs/dbraw/zinc/33/02/52/923330252.db2.gz FMKNWHCZSQLOIY-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192946726 923330261 /nfs/dbraw/zinc/33/02/61/923330261.db2.gz FMKNWHCZSQLOIY-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963405 925022315 /nfs/dbraw/zinc/02/23/15/925022315.db2.gz RDIQPUNMTJGBTF-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCC(=C)C)CC1 ZINC001152324115 925102783 /nfs/dbraw/zinc/10/27/83/925102783.db2.gz LLPMYDWGKVSFIO-UHFFFAOYSA-N 1 3 277.412 1.004 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051725 937039139 /nfs/dbraw/zinc/03/91/39/937039139.db2.gz ISTUMRCJVPOMGM-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051725 937039140 /nfs/dbraw/zinc/03/91/40/937039140.db2.gz ISTUMRCJVPOMGM-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375607 937055254 /nfs/dbraw/zinc/05/52/54/937055254.db2.gz SUESMVYPIFNVHM-HUUCEWRRSA-N 1 3 293.455 1.282 20 30 CDEDHO C#CC[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375607 937055257 /nfs/dbraw/zinc/05/52/57/937055257.db2.gz SUESMVYPIFNVHM-HUUCEWRRSA-N 1 3 293.455 1.282 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357499 928612306 /nfs/dbraw/zinc/61/23/06/928612306.db2.gz MTCSULRHHQJFFM-UHFFFAOYSA-N 1 3 253.390 1.143 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496871 928674070 /nfs/dbraw/zinc/67/40/70/928674070.db2.gz ZONYGIDWDKSITL-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857234857 928684503 /nfs/dbraw/zinc/68/45/03/928684503.db2.gz NULOBDMDIJTAPW-MCIONIFRSA-N 1 3 267.417 1.750 20 30 CDEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548348 929156215 /nfs/dbraw/zinc/15/62/15/929156215.db2.gz VBIQPVPIBNBDOS-RDJZCZTQSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584867 929798064 /nfs/dbraw/zinc/79/80/64/929798064.db2.gz XRISWULTUROXMN-STQMWFEESA-N 1 3 267.417 1.530 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481353 930219486 /nfs/dbraw/zinc/21/94/86/930219486.db2.gz UAUBLWLXNNBKES-LSDHHAIUSA-N 1 3 295.471 1.861 20 30 CDEDHO CCCCOCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000104153631 931320921 /nfs/dbraw/zinc/32/09/21/931320921.db2.gz HFOIVSFOISXKBA-CQSZACIVSA-N 1 3 284.448 1.582 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247301 932118082 /nfs/dbraw/zinc/11/80/82/932118082.db2.gz LARDJQNZXUJDRP-ZBFHGGJFSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593859 932270440 /nfs/dbraw/zinc/27/04/40/932270440.db2.gz QSOKIXCZZDHLAJ-KBPBESRZSA-N 1 3 267.417 1.223 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148153056 932655203 /nfs/dbraw/zinc/65/52/03/932655203.db2.gz HSHPRJJOUAYSMO-UHFFFAOYSA-N 1 3 277.412 1.049 20 30 CDEDHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000929505690 933242242 /nfs/dbraw/zinc/24/22/42/933242242.db2.gz JDNCYDQMPSEGLQ-CQSZACIVSA-N 1 3 253.390 1.313 20 30 CDEDHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000929505690 933242247 /nfs/dbraw/zinc/24/22/47/933242247.db2.gz JDNCYDQMPSEGLQ-CQSZACIVSA-N 1 3 253.390 1.313 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120045963 937776271 /nfs/dbraw/zinc/77/62/71/937776271.db2.gz KHUYFSOMMVDVRI-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114826024 934996719 /nfs/dbraw/zinc/99/67/19/934996719.db2.gz BLMKQQUEHVAHMG-BARDWOONSA-N 1 3 279.428 1.339 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccco1 ZINC000303793075 935043272 /nfs/dbraw/zinc/04/32/72/935043272.db2.gz YYRZGFFLHQDVFS-LBPRGKRZSA-N 1 3 264.373 1.211 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038671132 935233315 /nfs/dbraw/zinc/23/33/15/935233315.db2.gz PPICTOSISZONAA-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016827519 935624248 /nfs/dbraw/zinc/62/42/48/935624248.db2.gz WVIAIPYYPBCCFE-HUUCEWRRSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001017944529 935656065 /nfs/dbraw/zinc/65/60/65/935656065.db2.gz MAXFJAWVXAZYDC-LVQVYYBASA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001017944529 935656067 /nfs/dbraw/zinc/65/60/67/935656067.db2.gz MAXFJAWVXAZYDC-LVQVYYBASA-N 1 3 291.439 1.435 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041141711 935792967 /nfs/dbraw/zinc/79/29/67/935792967.db2.gz PSEZPTSGDWWAKZ-GOEBONIOSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001041141711 935792971 /nfs/dbraw/zinc/79/29/71/935792971.db2.gz PSEZPTSGDWWAKZ-GOEBONIOSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041685561 935802994 /nfs/dbraw/zinc/80/29/94/935802994.db2.gz HRMHOCGYDMOVBV-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041685561 935802997 /nfs/dbraw/zinc/80/29/97/935802997.db2.gz HRMHOCGYDMOVBV-RDJZCZTQSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330004 935942067 /nfs/dbraw/zinc/94/20/67/935942067.db2.gz DXLGTONGCLESBT-UXLLHSPISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330004 935942070 /nfs/dbraw/zinc/94/20/70/935942070.db2.gz DXLGTONGCLESBT-UXLLHSPISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048859976 936085760 /nfs/dbraw/zinc/08/57/60/936085760.db2.gz BEKKAAZVBKJFLT-GASCZTMLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048859976 936085764 /nfs/dbraw/zinc/08/57/64/936085764.db2.gz BEKKAAZVBKJFLT-GASCZTMLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798927 937883063 /nfs/dbraw/zinc/88/30/63/937883063.db2.gz UQFSDSWXGONFTL-LETWWHAPSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC001122004974 937898420 /nfs/dbraw/zinc/89/84/20/937898420.db2.gz UDGINLZQJXGYFX-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001122055750 937902418 /nfs/dbraw/zinc/90/24/18/937902418.db2.gz NCMDJXQNHGEHRC-JKSUJKDBSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156525680 938379366 /nfs/dbraw/zinc/37/93/66/938379366.db2.gz UDBIDBXZLVTXRB-CYBMUJFWSA-N 1 3 255.406 1.341 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156525680 938379367 /nfs/dbraw/zinc/37/93/67/938379367.db2.gz UDBIDBXZLVTXRB-CYBMUJFWSA-N 1 3 255.406 1.341 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160966836 938852277 /nfs/dbraw/zinc/85/22/77/938852277.db2.gz DGHIGIXMCLOYQK-NEPJUHHUSA-N 1 3 289.370 1.645 20 30 CDEDHO C=CCN(C(=O)[C@@H](N)CCCC[NH3+])C1CCCCC1 ZINC001161247453 938882307 /nfs/dbraw/zinc/88/23/07/938882307.db2.gz AYYRFNUCJLFFJT-AWEZNQCLSA-N 1 3 267.417 1.790 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275511 940009950 /nfs/dbraw/zinc/00/99/50/940009950.db2.gz UXOJBWKQZSTXFV-AWEZNQCLSA-N 1 3 279.428 1.342 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208453647 940332276 /nfs/dbraw/zinc/33/22/76/940332276.db2.gz MIHGLTJFPJXOPH-CYBMUJFWSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208599995 940346839 /nfs/dbraw/zinc/34/68/39/940346839.db2.gz NZMYJQOCDLKHHQ-UHFFFAOYSA-N 1 3 251.418 1.522 20 30 CDEDHO N#CCc1cccc(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001218987960 941298099 /nfs/dbraw/zinc/29/80/99/941298099.db2.gz PYFVIAGLZKTBJG-ZDUSSCGKSA-N 1 3 260.341 1.147 20 30 CDEDHO N#Cc1c[nH]c2cc(NC(=O)[C@H](N)C3CC[NH2+]CC3)ccc12 ZINC001219044335 941302127 /nfs/dbraw/zinc/30/21/27/941302127.db2.gz BTKXDLTUNYTRFK-OAHLLOKOSA-N 1 3 297.362 1.305 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1(C#N)CCC1 ZINC001219633046 941366649 /nfs/dbraw/zinc/36/66/49/941366649.db2.gz WJYSYJONUKEZEW-ZDUSSCGKSA-N 1 3 280.416 1.292 20 30 CDEDHO CCc1cc(CN2CCNC3(CC[NH2+]CC3)C2)ccc1C#N ZINC001222104604 941566379 /nfs/dbraw/zinc/56/63/79/941566379.db2.gz IVNMAOWPEKWYBO-UHFFFAOYSA-N 1 3 298.434 1.648 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223533452 941684530 /nfs/dbraw/zinc/68/45/30/941684530.db2.gz JNAVZNCOWUAKFW-INIZCTEOSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCCCCCC[C@@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246017208 947893674 /nfs/dbraw/zinc/89/36/74/947893674.db2.gz XJKPIFRFCYXVNS-HUUCEWRRSA-N 1 3 269.433 1.025 20 30 CDEDHO C=CCN(CC=C)CCN1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246951122 948535744 /nfs/dbraw/zinc/53/57/44/948535744.db2.gz XQZBAIWCTCSEFX-QGZVFWFLSA-N 1 3 292.471 1.030 20 30 CDEDHO C=C[C@@H](O)CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253581050 951972084 /nfs/dbraw/zinc/97/20/84/951972084.db2.gz GDSVCHLEHDEPAQ-HUUCEWRRSA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253581050 951972088 /nfs/dbraw/zinc/97/20/88/951972088.db2.gz GDSVCHLEHDEPAQ-HUUCEWRRSA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253581050 951972093 /nfs/dbraw/zinc/97/20/93/951972093.db2.gz GDSVCHLEHDEPAQ-HUUCEWRRSA-N 1 3 252.402 1.874 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC001335263543 959670902 /nfs/dbraw/zinc/67/09/02/959670902.db2.gz IRDOQQZVBFDFTN-CHWSQXEVSA-N 1 3 257.422 1.870 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001340312120 962884162 /nfs/dbraw/zinc/88/41/62/962884162.db2.gz MAYIZURVVVLHSX-CHWSQXEVSA-N 1 3 253.390 1.318 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC001340853547 963155959 /nfs/dbraw/zinc/15/59/59/963155959.db2.gz NKVILBHVFVBVNQ-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC001340853547 963155971 /nfs/dbraw/zinc/15/59/71/963155971.db2.gz NKVILBHVFVBVNQ-KBPBESRZSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001341778370 963539811 /nfs/dbraw/zinc/53/98/11/963539811.db2.gz QVDOEYSGPSIHNA-CQSZACIVSA-N 1 3 259.353 1.912 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001343085093 963902264 /nfs/dbraw/zinc/90/22/64/963902264.db2.gz KRMJZFKVKMUXRD-CHWSQXEVSA-N 1 3 253.390 1.318 20 30 CDEDHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000848719373 969256709 /nfs/dbraw/zinc/25/67/09/969256709.db2.gz CNSLWBDOZSRARH-KBPBESRZSA-N 1 3 259.353 1.926 20 30 CDEDHO C[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)NC1CC1 ZINC000848987225 969382531 /nfs/dbraw/zinc/38/25/31/969382531.db2.gz NGGTYESQIFYZBD-RYUDHWBXSA-N 1 3 252.406 1.577 20 30 CDEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@@H](C)C1)NC1CC1 ZINC000848997170 969390301 /nfs/dbraw/zinc/39/03/01/969390301.db2.gz DPTZGFUUIAVTLI-GFCCVEGCSA-N 1 3 266.433 1.824 20 30 CDEDHO C=CCOCCN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277402 1163225556 /nfs/dbraw/zinc/22/55/56/1163225556.db2.gz GRYAERREPOCHIJ-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181876 1163597583 /nfs/dbraw/zinc/59/75/83/1163597583.db2.gz KEXKYOXAUIAEGK-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C[C@H](CCC#N)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000590592859 342578623 /nfs/dbraw/zinc/57/86/23/342578623.db2.gz AKXNAEGINQSNNW-CQSZACIVSA-N 1 3 267.417 1.705 20 30 CDEDHO C[NH+]1CCC(N2CC[C@@H](NC[C@H](C#N)CCC#N)C2)CC1 ZINC000591736729 342645004 /nfs/dbraw/zinc/64/50/04/342645004.db2.gz KLUCYJFKACIUNH-LSDHHAIUSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@@H+]2CC[C@@H](NC[C@H](C#N)CCC#N)C2)CC1 ZINC000591736729 342645005 /nfs/dbraw/zinc/64/50/05/342645005.db2.gz KLUCYJFKACIUNH-LSDHHAIUSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@H+]2CC[C@@H](NC[C@H](C#N)CCC#N)C2)CC1 ZINC000591736729 342645006 /nfs/dbraw/zinc/64/50/06/342645006.db2.gz KLUCYJFKACIUNH-LSDHHAIUSA-N 1 3 289.427 1.188 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+]CCCN)CC2)c1 ZINC000593317027 342787942 /nfs/dbraw/zinc/78/79/42/342787942.db2.gz DXEAMJZWBRKHDG-UHFFFAOYSA-N 1 3 272.396 1.461 20 30 CDEDHO N#Cc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594494628 342913826 /nfs/dbraw/zinc/91/38/26/342913826.db2.gz ODMRXGDWQGAPKJ-KRWDZBQOSA-N 1 3 285.391 1.901 20 30 CDEDHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592616 343838972 /nfs/dbraw/zinc/83/89/72/343838972.db2.gz KEYMRJNGJOLVFT-ILXRZTDVSA-N 1 3 279.428 1.703 20 30 CDEDHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592616 343838974 /nfs/dbraw/zinc/83/89/74/343838974.db2.gz KEYMRJNGJOLVFT-ILXRZTDVSA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592616 343838975 /nfs/dbraw/zinc/83/89/75/343838975.db2.gz KEYMRJNGJOLVFT-ILXRZTDVSA-N 1 3 279.428 1.703 20 30 CDEDHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]21 ZINC000598592616 343838977 /nfs/dbraw/zinc/83/89/77/343838977.db2.gz KEYMRJNGJOLVFT-ILXRZTDVSA-N 1 3 279.428 1.703 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C)[NH2+]CCC)CC1 ZINC000449123118 362625863 /nfs/dbraw/zinc/62/58/63/362625863.db2.gz MQKTUIVVCMKXEX-LBPRGKRZSA-N 1 3 253.390 1.141 20 30 CDEDHO C[C@@H](CCC#N)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565042950 360647366 /nfs/dbraw/zinc/64/73/66/360647366.db2.gz ACBSLXTVYPSMMH-OWCLPIDISA-N 1 3 278.444 1.636 20 30 CDEDHO Cn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C#N ZINC000282258280 375075235 /nfs/dbraw/zinc/07/52/35/375075235.db2.gz GXVWACJPQUPXLJ-UHFFFAOYSA-N 1 3 289.427 1.012 20 30 CDEDHO C=CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001663204988 1172655971 /nfs/dbraw/zinc/65/59/71/1172655971.db2.gz BEHYHSLEEWPTLR-ZDUSSCGKSA-N 1 3 255.406 1.197 20 30 CDEDHO C=CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001663204988 1172655975 /nfs/dbraw/zinc/65/59/75/1172655975.db2.gz BEHYHSLEEWPTLR-ZDUSSCGKSA-N 1 3 255.406 1.197 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976126 391373324 /nfs/dbraw/zinc/37/33/24/391373324.db2.gz KKHOCVCZNHQUJP-KKUMJFAQSA-N 1 3 279.428 1.389 20 30 CDEDHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000361509373 392759702 /nfs/dbraw/zinc/75/97/02/392759702.db2.gz UQCMZHNYVSJNPY-UHFFFAOYSA-N 1 3 260.385 1.670 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290784 414617520 /nfs/dbraw/zinc/61/75/20/414617520.db2.gz KKRJTRHPGLTKHN-DZGCQCFKSA-N 1 3 279.428 1.389 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000134476084 260913233 /nfs/dbraw/zinc/91/32/33/260913233.db2.gz MBLDCOHTAZMANP-LBPRGKRZSA-N 1 3 293.415 1.225 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000249115368 261246529 /nfs/dbraw/zinc/24/65/29/261246529.db2.gz WHGGREOOTNEVHQ-QLFBSQMISA-N 1 3 281.444 1.785 20 30 CDEDHO CC#CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364534352 262253662 /nfs/dbraw/zinc/25/36/62/262253662.db2.gz RNRLSPGQPNFOOP-UHFFFAOYSA-N 1 3 277.456 1.749 20 30 CDEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000262687735 262783888 /nfs/dbraw/zinc/78/38/88/262783888.db2.gz ZAYDPDKZMYTDHD-ZDUSSCGKSA-N 1 3 292.452 1.851 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000236686111 277851962 /nfs/dbraw/zinc/85/19/62/277851962.db2.gz ZZEXFEMZGXEPJL-WBVHZDCISA-N 1 3 293.455 1.801 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)noc1C ZINC000267398076 328178180 /nfs/dbraw/zinc/17/81/80/328178180.db2.gz FIPRLGWLZDVXJF-CYBMUJFWSA-N 1 3 293.415 1.223 20 30 CDEDHO C[C@@H](CC[NH2+]C[C@@H](O)CN(C)CCC#N)N1CCCCC1 ZINC000564872960 327062077 /nfs/dbraw/zinc/06/20/77/327062077.db2.gz JULXGPAGHVHNSE-JKSUJKDBSA-N 1 3 296.459 1.047 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCSC1 ZINC000262328327 330006329 /nfs/dbraw/zinc/00/63/29/330006329.db2.gz URDHTDNLSQCNDJ-STQMWFEESA-N 1 3 284.473 1.518 20 30 CDEDHO CC(C)(C)NCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262509990 330018737 /nfs/dbraw/zinc/01/87/37/330018737.db2.gz CTJBBTIUGQEOEY-CYBMUJFWSA-N 1 3 290.411 1.803 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424286003 330334127 /nfs/dbraw/zinc/33/41/27/330334127.db2.gz GQIZENYZDTUMDZ-HNNXBMFYSA-N 1 3 291.439 1.651 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000491691422 332288064 /nfs/dbraw/zinc/28/80/64/332288064.db2.gz GESFLFNKTNUZCV-UHFFFAOYSA-N 1 3 294.443 1.115 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023367148 1159249864 /nfs/dbraw/zinc/24/98/64/1159249864.db2.gz WIOAFZRYFLLQKU-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023367148 1159249868 /nfs/dbraw/zinc/24/98/68/1159249868.db2.gz WIOAFZRYFLLQKU-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024759835 1159431817 /nfs/dbraw/zinc/43/18/17/1159431817.db2.gz LGPJONJMVYBFDE-HNNXBMFYSA-N 1 3 291.439 1.629 20 30 CDEDHO C[N@@H+]1CC[C@@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000225269819 1160390406 /nfs/dbraw/zinc/39/04/06/1160390406.db2.gz MYZATIQOBWXTMO-DZGCQCFKSA-N 1 3 259.353 1.133 20 30 CDEDHO C[N@H+]1CC[C@@H](CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000225269819 1160390413 /nfs/dbraw/zinc/39/04/13/1160390413.db2.gz MYZATIQOBWXTMO-DZGCQCFKSA-N 1 3 259.353 1.133 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000740738199 576512933 /nfs/dbraw/zinc/51/29/33/576512933.db2.gz YMJKDEYSRWZGPS-HNNXBMFYSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948240485 613178274 /nfs/dbraw/zinc/17/82/74/613178274.db2.gz GMVCGDAAVABFAJ-GJZGRUSLSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948240485 613178276 /nfs/dbraw/zinc/17/82/76/613178276.db2.gz GMVCGDAAVABFAJ-GJZGRUSLSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970050339 613298675 /nfs/dbraw/zinc/29/86/75/613298675.db2.gz MGLCXBMPZVFLRY-CQSZACIVSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971554094 613617783 /nfs/dbraw/zinc/61/77/83/613617783.db2.gz YMZMTWHXTGKHQT-CABCVRRESA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000969954947 613865603 /nfs/dbraw/zinc/86/56/03/613865603.db2.gz IJVIBRWCKDZQLT-CJNGLKHVSA-N 1 3 297.418 1.575 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990276902 1160720048 /nfs/dbraw/zinc/72/00/48/1160720048.db2.gz KUFQGYMALIDVQA-AWEZNQCLSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274888 1163622916 /nfs/dbraw/zinc/62/29/16/1163622916.db2.gz ODIVTFCLUOYXLT-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCN(CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001753161686 1185094573 /nfs/dbraw/zinc/09/45/73/1185094573.db2.gz KERHXIOZSXWWGN-UHFFFAOYSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001753283756 1185141489 /nfs/dbraw/zinc/14/14/89/1185141489.db2.gz YSWYRBDJPGTRCX-CQSZACIVSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754500152 1185646868 /nfs/dbraw/zinc/64/68/68/1185646868.db2.gz LHBBBALTTCEOCP-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001754500152 1185646869 /nfs/dbraw/zinc/64/68/69/1185646869.db2.gz LHBBBALTTCEOCP-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755024765 1185788869 /nfs/dbraw/zinc/78/88/69/1185788869.db2.gz IDVGIQGXKRNNTA-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755024765 1185788875 /nfs/dbraw/zinc/78/88/75/1185788875.db2.gz IDVGIQGXKRNNTA-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001755526189 1185980044 /nfs/dbraw/zinc/98/00/44/1185980044.db2.gz BWCXLLJHHWIFPU-JKSUJKDBSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001034642220 784127323 /nfs/dbraw/zinc/12/73/23/784127323.db2.gz CHBMTEMIRHFZEU-BZUAXINKSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996688204 784861674 /nfs/dbraw/zinc/86/16/74/784861674.db2.gz LEZZXGLWIQEKNY-AWEZNQCLSA-N 1 3 267.417 1.339 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000261993871 784863871 /nfs/dbraw/zinc/86/38/71/784863871.db2.gz NDTNVBDGYOMQGZ-CHWSQXEVSA-N 1 3 254.422 1.667 20 30 CDEDHO CC(C)[NH+]1CCC(CCNC(=O)[C@H](N)CCCC#N)CC1 ZINC000877200604 784897858 /nfs/dbraw/zinc/89/78/58/784897858.db2.gz MQOZWLBECFWLJX-OAHLLOKOSA-N 1 3 294.443 1.634 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001034796837 785827212 /nfs/dbraw/zinc/82/72/12/785827212.db2.gz PPHFJIJBVCFQKC-KLHDSHLOSA-N 1 3 291.439 1.509 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000303905516 785887144 /nfs/dbraw/zinc/88/71/44/785887144.db2.gz ZMGQMYVCYGQFTP-KCQAQPDRSA-N 1 3 284.448 1.436 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586204 786165005 /nfs/dbraw/zinc/16/50/05/786165005.db2.gz ICBAPHVZAXBEBU-IHRRRGAJSA-N 1 3 265.401 1.284 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995805152 786305140 /nfs/dbraw/zinc/30/51/40/786305140.db2.gz SVPIEWGIQOSZIA-GJZGRUSLSA-N 1 3 291.439 1.319 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCO[C@@H](C)C1 ZINC000261999265 786376917 /nfs/dbraw/zinc/37/69/17/786376917.db2.gz PARVPVRQSXGELU-MELADBBJSA-N 1 3 282.432 1.190 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001022808222 786635958 /nfs/dbraw/zinc/63/59/58/786635958.db2.gz RHFADMKOLJEBQZ-QLFBSQMISA-N 1 3 279.428 1.672 20 30 CDEDHO C[C@@H](C#N)OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748460 786843154 /nfs/dbraw/zinc/84/31/54/786843154.db2.gz VNRFSZONFHAGQC-AWEZNQCLSA-N 1 3 274.368 1.522 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995928409 786858553 /nfs/dbraw/zinc/85/85/53/786858553.db2.gz TZAOCXLUOMFECY-KBPBESRZSA-N 1 3 279.428 1.032 20 30 CDEDHO C=CCN1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314648 786865221 /nfs/dbraw/zinc/86/52/21/786865221.db2.gz UKHFPLZHGLIKDT-LSDHHAIUSA-N 1 3 289.423 1.191 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000985652264 787081553 /nfs/dbraw/zinc/08/15/53/787081553.db2.gz DQWHASAEVBVYCR-AWEZNQCLSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000985652264 787081560 /nfs/dbraw/zinc/08/15/60/787081560.db2.gz DQWHASAEVBVYCR-AWEZNQCLSA-N 1 3 267.417 1.435 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403282 787834426 /nfs/dbraw/zinc/83/44/26/787834426.db2.gz IMEXKDZLJJYXTL-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023403282 787834427 /nfs/dbraw/zinc/83/44/27/787834427.db2.gz IMEXKDZLJJYXTL-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987552069 787840938 /nfs/dbraw/zinc/84/09/38/787840938.db2.gz QFNIWRGSJRIHBS-YOEHRIQHSA-N 1 3 299.418 1.574 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC000995805157 787856884 /nfs/dbraw/zinc/85/68/84/787856884.db2.gz SVPIEWGIQOSZIA-LSDHHAIUSA-N 1 3 291.439 1.319 20 30 CDEDHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218355 787869548 /nfs/dbraw/zinc/86/95/48/787869548.db2.gz TTXGIAHHKCACER-RDJZCZTQSA-N 1 3 291.439 1.849 20 30 CDEDHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218355 787869549 /nfs/dbraw/zinc/86/95/49/787869549.db2.gz TTXGIAHHKCACER-RDJZCZTQSA-N 1 3 291.439 1.849 20 30 CDEDHO C[NH+](C)CC1(O)CCN(CCc2ccc(C#N)cc2)CC1 ZINC000931481247 788051769 /nfs/dbraw/zinc/05/17/69/788051769.db2.gz ODGYXKGYSPKXLB-UHFFFAOYSA-N 1 3 287.407 1.489 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001019466092 788093332 /nfs/dbraw/zinc/09/33/32/788093332.db2.gz QNJQFZRRAAZQFW-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996299942 788564077 /nfs/dbraw/zinc/56/40/77/788564077.db2.gz HDCKINABNVCWGE-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000261975383 788809052 /nfs/dbraw/zinc/80/90/52/788809052.db2.gz FSCXXZAXOBTTGV-HIFRSBDPSA-N 1 3 266.433 1.977 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCCCC1)N1CCC[C@H](C)C1 ZINC000303909327 789192612 /nfs/dbraw/zinc/19/26/12/789192612.db2.gz YCRIRHOAMQSAPV-KBPBESRZSA-N 1 3 266.433 1.907 20 30 CDEDHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1ccc(C#N)cc1 ZINC000923295828 789211694 /nfs/dbraw/zinc/21/16/94/789211694.db2.gz IOAGZDJYGZEANG-HOCLYGCPSA-N 1 3 291.395 1.261 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830471 789442437 /nfs/dbraw/zinc/44/24/37/789442437.db2.gz VXYBVPQGKZWRRB-DZGCQCFKSA-N 1 3 288.395 1.451 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830471 789442471 /nfs/dbraw/zinc/44/24/71/789442471.db2.gz VXYBVPQGKZWRRB-DZGCQCFKSA-N 1 3 288.395 1.451 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052711977 789830908 /nfs/dbraw/zinc/83/09/08/789830908.db2.gz CIDJBEOSIPIQBI-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052711977 789830912 /nfs/dbraw/zinc/83/09/12/789830912.db2.gz CIDJBEOSIPIQBI-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001752950799 1166985978 /nfs/dbraw/zinc/98/59/78/1166985978.db2.gz BDVSCDRFDQUBCD-HZPDHXFCSA-N 1 3 293.455 1.733 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088952353 912360725 /nfs/dbraw/zinc/36/07/25/912360725.db2.gz LRWKDTHXJFNCRW-ZBFHGGJFSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167635165 897125911 /nfs/dbraw/zinc/12/59/11/897125911.db2.gz KZOFLIKZAFQPTG-HNNXBMFYSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206273918 914150503 /nfs/dbraw/zinc/15/05/03/914150503.db2.gz DRNPEQMKDQTWCS-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176991781 914419772 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C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644432 922121613 /nfs/dbraw/zinc/12/16/13/922121613.db2.gz HMUZVOFUOABINA-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526020 922658713 /nfs/dbraw/zinc/65/87/13/922658713.db2.gz RUDPOAMUFZRHOF-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526020 922658720 /nfs/dbraw/zinc/65/87/20/922658720.db2.gz RUDPOAMUFZRHOF-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550918 923125306 /nfs/dbraw/zinc/12/53/06/923125306.db2.gz LZEKFGCTEUZCII-ZDUSSCGKSA-N 1 3 262.357 1.061 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550918 923125313 /nfs/dbraw/zinc/12/53/13/923125313.db2.gz LZEKFGCTEUZCII-ZDUSSCGKSA-N 1 3 262.357 1.061 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293387 924167307 /nfs/dbraw/zinc/16/73/07/924167307.db2.gz GZBLSXNLNSSERK-CQSZACIVSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293387 924167312 /nfs/dbraw/zinc/16/73/12/924167312.db2.gz GZBLSXNLNSSERK-CQSZACIVSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047263 937039153 /nfs/dbraw/zinc/03/91/53/937039153.db2.gz AIPSFLNCVAUXBJ-BPLDGKMQSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047263 937039155 /nfs/dbraw/zinc/03/91/55/937039155.db2.gz AIPSFLNCVAUXBJ-BPLDGKMQSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102337767 937053385 /nfs/dbraw/zinc/05/33/85/937053385.db2.gz RQQLCEVGRGCAPW-RBSFLKMASA-N 1 3 281.444 1.443 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102337767 937053387 /nfs/dbraw/zinc/05/33/87/937053387.db2.gz RQQLCEVGRGCAPW-RBSFLKMASA-N 1 3 281.444 1.443 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366493 937054346 /nfs/dbraw/zinc/05/43/46/937054346.db2.gz HEGSPXDEHVAUEH-QLFBSQMISA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366493 937054348 /nfs/dbraw/zinc/05/43/48/937054348.db2.gz HEGSPXDEHVAUEH-QLFBSQMISA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201412356 926288468 /nfs/dbraw/zinc/28/84/68/926288468.db2.gz ZMEURLJAMYSBFH-CABCVRRESA-N 1 3 297.443 1.110 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202354248 926542779 /nfs/dbraw/zinc/54/27/79/926542779.db2.gz XDMTWUFWHLTUQS-OAHLLOKOSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103139860 937124497 /nfs/dbraw/zinc/12/44/97/937124497.db2.gz BLAIDUWXCXKMEB-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103139860 937124500 /nfs/dbraw/zinc/12/45/00/937124500.db2.gz BLAIDUWXCXKMEB-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550638 937145676 /nfs/dbraw/zinc/14/56/76/937145676.db2.gz ZXDMFOYTLSZDPK-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550638 937145678 /nfs/dbraw/zinc/14/56/78/937145678.db2.gz ZXDMFOYTLSZDPK-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214862928 937249453 /nfs/dbraw/zinc/24/94/53/937249453.db2.gz AAOBGHWKROIPLY-UKRRQHHQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910240 937482588 /nfs/dbraw/zinc/48/25/88/937482588.db2.gz LEFPOWSNUJFEOK-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910240 937482589 /nfs/dbraw/zinc/48/25/89/937482589.db2.gz LEFPOWSNUJFEOK-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C[NH+](C)CCCNCCC(=O)Nc1cccc(C#N)c1 ZINC000243791772 937578820 /nfs/dbraw/zinc/57/88/20/937578820.db2.gz QLDZCKVSNNLGDF-UHFFFAOYSA-N 1 3 274.368 1.428 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146599336 932270695 /nfs/dbraw/zinc/27/06/95/932270695.db2.gz AXGYEFZCRAVINM-KGLIPLIRSA-N 1 3 267.417 1.223 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469235 932712242 /nfs/dbraw/zinc/71/22/42/932712242.db2.gz FZCSNKIOFVTEKE-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469235 932712245 /nfs/dbraw/zinc/71/22/45/932712245.db2.gz FZCSNKIOFVTEKE-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956344 933197997 /nfs/dbraw/zinc/19/79/97/933197997.db2.gz DZDDEYMMDIKOLA-KFWWJZLASA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])C[C@H](C)CC)CC1 ZINC001121998375 937897704 /nfs/dbraw/zinc/89/77/04/937897704.db2.gz XLHMCOJRBCWJHH-OCCSQVGLSA-N 1 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YFKQFKBMUFMPJK-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCCCN1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001209263469 940453778 /nfs/dbraw/zinc/45/37/78/940453778.db2.gz LTLLLBBKZPKYJF-UHFFFAOYSA-N 1 3 277.412 1.076 20 30 CDEDHO C#CCCCN1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001209263469 940453779 /nfs/dbraw/zinc/45/37/79/940453779.db2.gz LTLLLBBKZPKYJF-UHFFFAOYSA-N 1 3 277.412 1.076 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001210314935 940682454 /nfs/dbraw/zinc/68/24/54/940682454.db2.gz KZVFXRZIJZOYAI-GFCCVEGCSA-N 1 3 296.321 1.496 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211258175 940742998 /nfs/dbraw/zinc/74/29/98/940742998.db2.gz ZPBKTLCWNRCWKF-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541308 940893372 /nfs/dbraw/zinc/89/33/72/940893372.db2.gz XTVCAVWMTYFCPO-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680903 940902311 /nfs/dbraw/zinc/90/23/11/940902311.db2.gz NWYGUVRBQCBWJD-TZMCWYRMSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001223604888 941687578 /nfs/dbraw/zinc/68/75/78/941687578.db2.gz OBBRVKXMWXZZBD-CQSZACIVSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224577222 941773056 /nfs/dbraw/zinc/77/30/56/941773056.db2.gz WEDNUMHZCJPDGY-UHFFFAOYSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831117 942080533 /nfs/dbraw/zinc/08/05/33/942080533.db2.gz OIRKPZUSOYGHTP-HZPDHXFCSA-N 1 3 291.439 1.511 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001316606322 942492200 /nfs/dbraw/zinc/49/22/00/942492200.db2.gz NLCPYMRNWNJJHJ-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C#Cc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC001231659154 942962776 /nfs/dbraw/zinc/96/27/76/942962776.db2.gz HSZCXHQXVCGXBQ-UHFFFAOYSA-N 1 3 297.446 1.880 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001480120745 971585659 /nfs/dbraw/zinc/58/56/59/971585659.db2.gz PHBJMGQTWCDYLW-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN(CC=C)CCN1CC[NH+](C[C@](C)(O)C=C)CC1 ZINC001252556715 951449433 /nfs/dbraw/zinc/44/94/33/951449433.db2.gz IZUPCDZZNCIHQZ-QGZVFWFLSA-N 1 3 293.455 1.215 20 30 CDEDHO CC(C)(C)NC[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253406263 951889171 /nfs/dbraw/zinc/88/91/71/951889171.db2.gz DMMNQQPICYDBSY-IUDNXUCKSA-N 1 3 279.428 1.942 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001253578451 951968502 /nfs/dbraw/zinc/96/85/02/951968502.db2.gz BGKKWUUHHWSIIM-ULQDDVLXSA-N 1 3 272.392 1.597 20 30 CDEDHO C=C[C@H](O)CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001253578452 951969419 /nfs/dbraw/zinc/96/94/19/951969419.db2.gz BGKKWUUHHWSIIM-ZACQAIPSSA-N 1 3 272.392 1.597 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253585709 951977823 /nfs/dbraw/zinc/97/78/23/951977823.db2.gz ZAQFIARDAKESKK-KKUMJFAQSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253585709 951977827 /nfs/dbraw/zinc/97/78/27/951977827.db2.gz ZAQFIARDAKESKK-KKUMJFAQSA-N 1 3 252.402 1.872 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC001343391392 963965724 /nfs/dbraw/zinc/96/57/24/963965724.db2.gz IRYQDRQQPKVPSO-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC001343391392 963965726 /nfs/dbraw/zinc/96/57/26/963965726.db2.gz IRYQDRQQPKVPSO-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100409751 968267483 /nfs/dbraw/zinc/26/74/83/968267483.db2.gz HZTWRQPBRIWGGK-UHFFFAOYSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001521439561 970298086 /nfs/dbraw/zinc/29/80/86/970298086.db2.gz SHTGMHXTHPLFKE-HNNXBMFYSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275894 1163624069 /nfs/dbraw/zinc/62/40/69/1163624069.db2.gz XYPDYYSRFHQREQ-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001574903794 1171044884 /nfs/dbraw/zinc/04/48/84/1171044884.db2.gz WWFFOWIEMGSDTM-MJBXVCDLSA-N 1 3 265.401 1.365 20 30 CDEDHO C[NH+](C)CC1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC001578412682 1171901971 /nfs/dbraw/zinc/90/19/71/1171901971.db2.gz SHINWBOGELVTBW-CQSZACIVSA-N 1 3 294.443 1.636 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056524780 342270088 /nfs/dbraw/zinc/27/00/88/342270088.db2.gz GFEJMQSJSVSNKV-UHFFFAOYSA-N 1 3 293.455 1.851 20 30 CDEDHO CC(C)[NH+]1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598713342 343879781 /nfs/dbraw/zinc/87/97/81/343879781.db2.gz BEZCYDZVLZNEBL-AWEZNQCLSA-N 1 3 267.417 1.750 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000491661199 347585081 /nfs/dbraw/zinc/58/50/81/347585081.db2.gz DGNUEADWWFIXRN-OAHLLOKOSA-N 1 3 294.443 1.148 20 30 CDEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(N)CC1)C(C)C ZINC000165196506 363626222 /nfs/dbraw/zinc/62/62/22/363626222.db2.gz NNKFVHUAGGUCBZ-ZDUSSCGKSA-N 1 3 265.401 1.293 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000337127264 359995583 /nfs/dbraw/zinc/99/55/83/359995583.db2.gz GOYKUTQEIMRVND-OAHLLOKOSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363676090 260603518 /nfs/dbraw/zinc/60/35/18/260603518.db2.gz ZUIFKSDMXIZCQD-KBPBESRZSA-N 1 3 252.402 1.994 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000304255989 371098997 /nfs/dbraw/zinc/09/89/97/371098997.db2.gz AQFXBBKSLZSAPQ-ZDUSSCGKSA-N 1 3 277.368 1.478 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000304255989 371099004 /nfs/dbraw/zinc/09/90/04/371099004.db2.gz AQFXBBKSLZSAPQ-ZDUSSCGKSA-N 1 3 277.368 1.478 20 30 CDEDHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1C#N ZINC000414911950 374222284 /nfs/dbraw/zinc/22/22/84/374222284.db2.gz HKFAMGPBDGHXGM-KBPBESRZSA-N 1 3 259.353 1.926 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417534738 377877802 /nfs/dbraw/zinc/87/78/02/377877802.db2.gz WAPNTGBNWXMEKI-HIFRSBDPSA-N 1 3 294.443 1.548 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000344146330 379216337 /nfs/dbraw/zinc/21/63/37/379216337.db2.gz YMXFTOXFKVHQEC-KWCYVHTRSA-N 1 3 279.384 1.030 20 30 CDEDHO CN1CC=C(CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262321034 391089835 /nfs/dbraw/zinc/08/98/35/391089835.db2.gz VTVNOFRSHASOCJ-UHFFFAOYSA-N 1 3 280.322 1.953 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(O)c(F)c1 ZINC000267475229 391197126 /nfs/dbraw/zinc/19/71/26/391197126.db2.gz YZNJZESWJJBRAA-LBPRGKRZSA-N 1 3 294.374 1.420 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000417060341 391341914 /nfs/dbraw/zinc/34/19/14/391341914.db2.gz JVNIOZCGPWPVGM-KGLIPLIRSA-N 1 3 282.432 1.331 20 30 CDEDHO C=CCN(C)CCN(CC)CC[C@H]1CCC[N@@H+]1C ZINC000411634722 391494182 /nfs/dbraw/zinc/49/41/82/391494182.db2.gz APZCSRVDBDUREN-OAHLLOKOSA-N 1 3 253.434 1.910 20 30 CDEDHO C=CCN(C)CCN(CC)CC[C@H]1CCC[N@H+]1C ZINC000411634722 391494184 /nfs/dbraw/zinc/49/41/84/391494184.db2.gz APZCSRVDBDUREN-OAHLLOKOSA-N 1 3 253.434 1.910 20 30 CDEDHO Cn1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1C#N ZINC000191243292 130208510 /nfs/dbraw/zinc/20/85/10/130208510.db2.gz ZDSYEZQKRYKWSG-CYBMUJFWSA-N 1 3 260.385 1.670 20 30 CDEDHO Cn1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1C#N ZINC000191243292 130208512 /nfs/dbraw/zinc/20/85/12/130208512.db2.gz ZDSYEZQKRYKWSG-CYBMUJFWSA-N 1 3 260.385 1.670 20 30 CDEDHO N#Cc1csc(CNCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000304656525 392210899 /nfs/dbraw/zinc/21/08/99/392210899.db2.gz RYXSWRKXISDQKF-AWEZNQCLSA-N 1 3 293.436 1.946 20 30 CDEDHO N#Cc1csc(CNCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000304656525 392210904 /nfs/dbraw/zinc/21/09/04/392210904.db2.gz RYXSWRKXISDQKF-AWEZNQCLSA-N 1 3 293.436 1.946 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491887286 262141439 /nfs/dbraw/zinc/14/14/39/262141439.db2.gz SPQRQFXWCSLNQB-WAYWQWQTSA-N 1 3 265.401 1.261 20 30 CDEDHO C[C@@H]1CN(CCCNC(=[NH2+])Nc2ccccn2)CCCO1 ZINC000277243203 263040441 /nfs/dbraw/zinc/04/04/41/263040441.db2.gz HLZFXDFYJPWACD-CYBMUJFWSA-N 1 3 291.399 1.309 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341088055 263321801 /nfs/dbraw/zinc/32/18/01/263321801.db2.gz JXZUSHONWKSDRR-ZFWWWQNUSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341088055 263321802 /nfs/dbraw/zinc/32/18/02/263321802.db2.gz JXZUSHONWKSDRR-ZFWWWQNUSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341088054 263321812 /nfs/dbraw/zinc/32/18/12/263321812.db2.gz JXZUSHONWKSDRR-UKRRQHHQSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341088054 263321814 /nfs/dbraw/zinc/32/18/14/263321814.db2.gz JXZUSHONWKSDRR-UKRRQHHQSA-N 1 3 294.443 1.419 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001671779792 1173711314 /nfs/dbraw/zinc/71/13/14/1173711314.db2.gz MRDYUNADXLOISK-WBVHZDCISA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000340598861 328295676 /nfs/dbraw/zinc/29/56/76/328295676.db2.gz ASGQJUVZAGGZGN-AWEZNQCLSA-N 1 3 281.444 1.731 20 30 CDEDHO C[C@H](CC[NH2+]C[C@@H](O)CN(C)CCC#N)N1CCCCC1 ZINC000564872958 327062103 /nfs/dbraw/zinc/06/21/03/327062103.db2.gz JULXGPAGHVHNSE-HZPDHXFCSA-N 1 3 296.459 1.047 20 30 CDEDHO C=CCN1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422857961 330157711 /nfs/dbraw/zinc/15/77/11/330157711.db2.gz HUWMJQXIQMDZGK-ZFWWWQNUSA-N 1 3 251.418 1.615 20 30 CDEDHO C=CCC[C@H](NCCN1CC[NH2+]CC1)c1ccco1 ZINC000423207447 330177465 /nfs/dbraw/zinc/17/74/65/330177465.db2.gz RMZKGENVVKVEOA-AWEZNQCLSA-N 1 3 263.385 1.782 20 30 CDEDHO C[NH+](C)[C@H](CNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424131743 330264028 /nfs/dbraw/zinc/26/40/28/330264028.db2.gz JQZRQDWXPGWEEC-HUUCEWRRSA-N 1 3 294.443 1.634 20 30 CDEDHO C[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145727 330291509 /nfs/dbraw/zinc/29/15/09/330291509.db2.gz OILXAGLXCCSZIS-RYUDHWBXSA-N 1 3 268.405 1.100 20 30 CDEDHO C#CCNC(=O)CCN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000491747072 332324569 /nfs/dbraw/zinc/32/45/69/332324569.db2.gz CCYHMBPGEDVGLE-JKSUJKDBSA-N 1 3 293.455 1.616 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001754987109 1159495349 /nfs/dbraw/zinc/49/53/49/1159495349.db2.gz HCBBDXMFRYWTAL-UHFFFAOYSA-N 1 3 279.428 1.226 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971688514 613289020 /nfs/dbraw/zinc/28/90/20/613289020.db2.gz WKKYDENUZHLPQY-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971688514 613289022 /nfs/dbraw/zinc/28/90/22/613289022.db2.gz WKKYDENUZHLPQY-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961341125 613839922 /nfs/dbraw/zinc/83/99/22/613839922.db2.gz HUGJCRBKYZDJAP-JJXSEGSLSA-N 1 3 289.423 1.093 20 30 CDEDHO C#CC[C@@H](CO)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895963020 619923749 /nfs/dbraw/zinc/92/37/49/619923749.db2.gz FTTSUMZDLSPEKA-HNNXBMFYSA-N 1 3 252.402 1.471 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC000986932531 1160482422 /nfs/dbraw/zinc/48/24/22/1160482422.db2.gz AQRZCCHYBRZNQJ-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001567742137 1168946153 /nfs/dbraw/zinc/94/61/53/1168946153.db2.gz LIIJLHDWEDSLGH-LSDHHAIUSA-N 1 3 279.428 1.130 20 30 CDEDHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001567742137 1168946162 /nfs/dbraw/zinc/94/61/62/1168946162.db2.gz LIIJLHDWEDSLGH-LSDHHAIUSA-N 1 3 279.428 1.130 20 30 CDEDHO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CN)cc1 ZINC001574757452 1171006466 /nfs/dbraw/zinc/00/64/66/1171006466.db2.gz PWXKKPDWAQOWBA-INIZCTEOSA-N 1 3 285.391 1.810 20 30 CDEDHO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CN)cc1 ZINC001574757452 1171006474 /nfs/dbraw/zinc/00/64/74/1171006474.db2.gz PWXKKPDWAQOWBA-INIZCTEOSA-N 1 3 285.391 1.810 20 30 CDEDHO C#CC[NH2+]C[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001753644890 1185283525 /nfs/dbraw/zinc/28/35/25/1185283525.db2.gz OTYWKWSNXYZQAW-AWEZNQCLSA-N 1 3 287.407 1.337 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405463 1164842292 /nfs/dbraw/zinc/84/22/92/1164842292.db2.gz SQMWMYQVTPECND-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405463 1164842300 /nfs/dbraw/zinc/84/23/00/1164842300.db2.gz SQMWMYQVTPECND-FICVDOATSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072981553 790386597 /nfs/dbraw/zinc/38/65/97/790386597.db2.gz KWYJDAIIWSXMHN-CQSZACIVSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072981553 790386616 /nfs/dbraw/zinc/38/66/16/790386616.db2.gz KWYJDAIIWSXMHN-CQSZACIVSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CC[C@H](N(C)CC2CC[NH+](C)CC2)C1=O ZINC000799122067 792159338 /nfs/dbraw/zinc/15/93/38/792159338.db2.gz NGVGXGYDUTZKEH-AWEZNQCLSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037924 792878462 /nfs/dbraw/zinc/87/84/62/792878462.db2.gz BTNXMTMYTFUDDG-QLFBSQMISA-N 1 3 279.428 1.149 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037924 792878471 /nfs/dbraw/zinc/87/84/71/792878471.db2.gz BTNXMTMYTFUDDG-QLFBSQMISA-N 1 3 279.428 1.149 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330849 793034845 /nfs/dbraw/zinc/03/48/45/793034845.db2.gz UWLGRIPJGSGQEG-SQWLQELKSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330849 793034851 /nfs/dbraw/zinc/03/48/51/793034851.db2.gz UWLGRIPJGSGQEG-SQWLQELKSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001029004059 793301981 /nfs/dbraw/zinc/30/19/81/793301981.db2.gz SLGVVTFJUITIMU-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001029004059 793301970 /nfs/dbraw/zinc/30/19/70/793301970.db2.gz SLGVVTFJUITIMU-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038262824 793862541 /nfs/dbraw/zinc/86/25/41/793862541.db2.gz OTMKLJDECZTGRC-CABCVRRESA-N 1 3 277.412 1.095 20 30 CDEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998188818 794158658 /nfs/dbraw/zinc/15/86/58/794158658.db2.gz KNKFRTSLCQOKFH-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998188818 794158664 /nfs/dbraw/zinc/15/86/64/794158664.db2.gz KNKFRTSLCQOKFH-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022980207 794543657 /nfs/dbraw/zinc/54/36/57/794543657.db2.gz LEEOLDUWGSMVQW-TXEJJXNPSA-N 1 3 283.803 1.072 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932141170 794776700 /nfs/dbraw/zinc/77/67/00/794776700.db2.gz SOJDRSDQESHYQI-HNNXBMFYSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932141170 794776709 /nfs/dbraw/zinc/77/67/09/794776709.db2.gz SOJDRSDQESHYQI-HNNXBMFYSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956687 794785404 /nfs/dbraw/zinc/78/54/04/794785404.db2.gz STZAWCOKTNRGFH-UONOGXRCSA-N 1 3 279.428 1.626 20 30 CDEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997864821 794794867 /nfs/dbraw/zinc/79/48/67/794794867.db2.gz ANSPUAMUXJMEGQ-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997864821 794794873 /nfs/dbraw/zinc/79/48/73/794794873.db2.gz ANSPUAMUXJMEGQ-GOEBONIOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580418 794818247 /nfs/dbraw/zinc/81/82/47/794818247.db2.gz VYEPWLYLKTZMBT-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028580418 794818250 /nfs/dbraw/zinc/81/82/50/794818250.db2.gz VYEPWLYLKTZMBT-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO CC(C)(C)NC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303783182 795216090 /nfs/dbraw/zinc/21/60/90/795216090.db2.gz NYYRMFGARVGXGQ-UHFFFAOYSA-N 1 3 254.422 1.954 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001023123370 795364884 /nfs/dbraw/zinc/36/48/84/795364884.db2.gz UVHBUTIOYRDOAL-SYQHCUMBSA-N 1 3 265.401 1.282 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001023130519 795454084 /nfs/dbraw/zinc/45/40/84/795454084.db2.gz RUVKVNSRGDHONV-HZSPNIEDSA-N 1 3 299.846 1.850 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003628656 795464127 /nfs/dbraw/zinc/46/41/27/795464127.db2.gz SNQIVVUQQABWEI-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023123009 795818676 /nfs/dbraw/zinc/81/86/76/795818676.db2.gz NAHVPBJNQXNBQE-KPWCQOOUSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023123009 795818673 /nfs/dbraw/zinc/81/86/73/795818673.db2.gz NAHVPBJNQXNBQE-KPWCQOOUSA-N 1 3 299.846 1.849 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045556349 795864072 /nfs/dbraw/zinc/86/40/72/795864072.db2.gz CVSDJYRBMGVIGO-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045556349 795864073 /nfs/dbraw/zinc/86/40/73/795864073.db2.gz CVSDJYRBMGVIGO-KGLIPLIRSA-N 1 3 279.428 1.341 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989826700 795885795 /nfs/dbraw/zinc/88/57/95/795885795.db2.gz RUOREFISENCXJG-PBHICJAKSA-N 1 3 299.418 1.574 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723395 796048111 /nfs/dbraw/zinc/04/81/11/796048111.db2.gz OWLCEAHNBOZNDS-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723395 796048120 /nfs/dbraw/zinc/04/81/20/796048120.db2.gz OWLCEAHNBOZNDS-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO N#CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848719401 796056839 /nfs/dbraw/zinc/05/68/39/796056839.db2.gz DHXZQVYEVJMTAZ-KBPBESRZSA-N 1 3 259.353 1.948 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694225 796422614 /nfs/dbraw/zinc/42/26/14/796422614.db2.gz UXPXDMANHYELMX-INIZCTEOSA-N 1 3 291.439 1.418 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101259 1166965661 /nfs/dbraw/zinc/96/56/61/1166965661.db2.gz KTPCEHRMHWSZKM-QCODTGAPSA-N 1 3 289.423 1.071 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097101259 1166965669 /nfs/dbraw/zinc/96/56/69/1166965669.db2.gz KTPCEHRMHWSZKM-QCODTGAPSA-N 1 3 289.423 1.071 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175302473 913529956 /nfs/dbraw/zinc/52/99/56/913529956.db2.gz BRNOBIVWJDVWQS-CABCVRRESA-N 1 3 281.444 1.615 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344688 913956118 /nfs/dbraw/zinc/95/61/18/913956118.db2.gz QFZQMHLWYGTLLX-HNNXBMFYSA-N 1 3 291.439 1.370 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344688 913956124 /nfs/dbraw/zinc/95/61/24/913956124.db2.gz QFZQMHLWYGTLLX-HNNXBMFYSA-N 1 3 291.439 1.370 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274482 914148679 /nfs/dbraw/zinc/14/86/79/914148679.db2.gz IHUIDKDUZUJXNG-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712497 905782452 /nfs/dbraw/zinc/78/24/52/905782452.db2.gz LBHMUUPDTPDDIX-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1C ZINC001088667078 908757534 /nfs/dbraw/zinc/75/75/34/908757534.db2.gz WWWLPTYJMWRLDI-QLFBSQMISA-N 1 3 277.412 1.073 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088667078 908757546 /nfs/dbraw/zinc/75/75/46/908757546.db2.gz WWWLPTYJMWRLDI-QLFBSQMISA-N 1 3 277.412 1.073 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088667078 908757552 /nfs/dbraw/zinc/75/75/52/908757552.db2.gz WWWLPTYJMWRLDI-QLFBSQMISA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171508206 910808221 /nfs/dbraw/zinc/80/82/21/910808221.db2.gz BOKQWAXSHZDKEW-LSDHHAIUSA-N 1 3 281.444 1.615 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001127066278 911263076 /nfs/dbraw/zinc/26/30/76/911263076.db2.gz KZNOJIOXXACOEC-GJZGRUSLSA-N 1 3 281.444 1.920 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182924005 918200774 /nfs/dbraw/zinc/20/07/74/918200774.db2.gz CLACLNAOAHNQGA-NVXWUHKLSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183450583 918502464 /nfs/dbraw/zinc/50/24/64/918502464.db2.gz VUMMFMBURFADKE-KGLIPLIRSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185347706 919538275 /nfs/dbraw/zinc/53/82/75/919538275.db2.gz KNBXHTFGVXAEQW-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185548415 919648261 /nfs/dbraw/zinc/64/82/61/919648261.db2.gz MNRZMNNGWZVQBX-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187328873 920472191 /nfs/dbraw/zinc/47/21/91/920472191.db2.gz MYUQYKIEOWFMKR-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001040639116 923041426 /nfs/dbraw/zinc/04/14/26/923041426.db2.gz ZAADOSFIMKWYMJ-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192395680 923073618 /nfs/dbraw/zinc/07/36/18/923073618.db2.gz HQDUIIPYWYOXEC-KGLIPLIRSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192395680 923073633 /nfs/dbraw/zinc/07/36/33/923073633.db2.gz HQDUIIPYWYOXEC-KGLIPLIRSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873259 936942516 /nfs/dbraw/zinc/94/25/16/936942516.db2.gz ZKKJDYHGRRSJDT-HSBZDZAISA-N 1 3 299.846 1.565 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100873259 936942519 /nfs/dbraw/zinc/94/25/19/936942519.db2.gz ZKKJDYHGRRSJDT-HSBZDZAISA-N 1 3 299.846 1.565 20 30 CDEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870674 924756531 /nfs/dbraw/zinc/75/65/31/924756531.db2.gz JRARGRXVYPFFDM-HUUCEWRRSA-N 1 3 299.459 1.070 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559121 924958544 /nfs/dbraw/zinc/95/85/44/924958544.db2.gz UCWLGCAAAXXUCJ-LERXQTSPSA-N 1 3 299.846 1.516 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCCCC)CC1 ZINC001152330892 925114743 /nfs/dbraw/zinc/11/47/43/925114743.db2.gz WQNPWBHQNVDYHT-UHFFFAOYSA-N 1 3 279.428 1.228 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140191 937124849 /nfs/dbraw/zinc/12/48/49/937124849.db2.gz RIRNXPIHOHLXFC-BZUAXINKSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140191 937124851 /nfs/dbraw/zinc/12/48/51/937124851.db2.gz RIRNXPIHOHLXFC-BZUAXINKSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001152148791 937340138 /nfs/dbraw/zinc/34/01/38/937340138.db2.gz RIAWLTILVDXXJW-ZIAGYGMSSA-N 1 3 267.417 1.531 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583708 929798334 /nfs/dbraw/zinc/79/83/34/929798334.db2.gz NQDRKGPSKHZPDJ-KBPBESRZSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584865 929799033 /nfs/dbraw/zinc/79/90/33/929799033.db2.gz XRISWULTUROXMN-OLZOCXBDSA-N 1 3 267.417 1.530 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135745958 930393682 /nfs/dbraw/zinc/39/36/82/930393682.db2.gz CNSLTZKAKTYUJF-ZIAGYGMSSA-N 1 3 267.417 1.224 20 30 CDEDHO C#Cc1ccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001144576559 931908921 /nfs/dbraw/zinc/90/89/21/931908921.db2.gz NEDGBMVYAZOVNN-UHFFFAOYSA-N 1 3 299.418 1.264 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001118263705 937609934 /nfs/dbraw/zinc/60/99/34/937609934.db2.gz LBYWAMXUOHRSFE-UHFFFAOYSA-N 1 3 291.439 1.653 20 30 CDEDHO CCO[C@@H](CCNC(=[NH2+])NC[C@H]1CCCN1CC)C(C)C ZINC000304771354 935088437 /nfs/dbraw/zinc/08/84/37/935088437.db2.gz AAHZOKNTVUPMAI-CABCVRRESA-N 1 3 298.475 1.826 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158420393 938619129 /nfs/dbraw/zinc/61/91/29/938619129.db2.gz ATSMYCNGZASTQL-VXGBXAGGSA-N 1 3 273.808 1.175 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158420393 938619127 /nfs/dbraw/zinc/61/91/27/938619127.db2.gz ATSMYCNGZASTQL-VXGBXAGGSA-N 1 3 273.808 1.175 20 30 CDEDHO CCN1CCCN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001163771487 939327076 /nfs/dbraw/zinc/32/70/76/939327076.db2.gz ZCLWHQYPMVNZPC-UHFFFAOYSA-N 1 3 299.422 1.521 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677155 939625375 /nfs/dbraw/zinc/62/53/75/939625375.db2.gz GCEGKEFRBRGMDE-AWEZNQCLSA-N 1 3 267.417 1.390 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687730 939626956 /nfs/dbraw/zinc/62/69/56/939626956.db2.gz YEWHPZKJLRVMJH-INIZCTEOSA-N 1 3 299.434 1.871 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166759531 939636684 /nfs/dbraw/zinc/63/66/84/939636684.db2.gz VZFPKTZZTVUXNB-UHFFFAOYSA-N 1 3 253.390 1.000 20 30 CDEDHO C=CCN(CC[N@@H+]1CC[C@@H](N)[C@H](F)CC1)C(=O)OCC ZINC001206154307 939987051 /nfs/dbraw/zinc/98/70/51/939987051.db2.gz IUPPMZWDZZIDNG-CHWSQXEVSA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCN(CC[N@H+]1CC[C@@H](N)[C@H](F)CC1)C(=O)OCC ZINC001206154307 939987052 /nfs/dbraw/zinc/98/70/52/939987052.db2.gz IUPPMZWDZZIDNG-CHWSQXEVSA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208372971 940325781 /nfs/dbraw/zinc/32/57/81/940325781.db2.gz FLCYKNOWQCYBDV-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001209260735 940453490 /nfs/dbraw/zinc/45/34/90/940453490.db2.gz DOTANPJMYGEDGL-UHFFFAOYSA-N 1 3 251.418 1.359 20 30 CDEDHO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219112631 941309521 /nfs/dbraw/zinc/30/95/21/941309521.db2.gz OQDJVLMUFDWIPL-AWEZNQCLSA-N 1 3 290.342 1.271 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223533348 941684548 /nfs/dbraw/zinc/68/45/48/941684548.db2.gz HTABZYREWNVFMU-INIZCTEOSA-N 1 3 293.455 1.424 20 30 CDEDHO C[NH+]1CCC2(CCN(Cc3cccc(C#N)n3)C2)CC1 ZINC001232925934 943436618 /nfs/dbraw/zinc/43/66/18/943436618.db2.gz TWDCOWZBCFNZRU-UHFFFAOYSA-N 1 3 270.380 1.871 20 30 CDEDHO CC[C@@H](CC#N)NCC1(N(C)C)CC[NH+](C)CC1 ZINC001255153120 947755007 /nfs/dbraw/zinc/75/50/07/947755007.db2.gz PBPAMTKHUUXETD-ZDUSSCGKSA-N 1 3 252.406 1.294 20 30 CDEDHO N#CCC1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618954 948350092 /nfs/dbraw/zinc/35/00/92/948350092.db2.gz PIXFNUANFZQSND-CKUJCDMFSA-N 1 3 276.428 1.485 20 30 CDEDHO N#CCC1CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246618954 948350097 /nfs/dbraw/zinc/35/00/97/948350097.db2.gz PIXFNUANFZQSND-CKUJCDMFSA-N 1 3 276.428 1.485 20 30 CDEDHO N#CCC1CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246618954 948350105 /nfs/dbraw/zinc/35/01/05/948350105.db2.gz PIXFNUANFZQSND-CKUJCDMFSA-N 1 3 276.428 1.485 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+](CCCN(C)C)CCC(=O)OC ZINC001252599121 951494115 /nfs/dbraw/zinc/49/41/15/951494115.db2.gz XLJOJRZIXYXXKH-AWEZNQCLSA-N 1 3 286.416 1.130 20 30 CDEDHO C=CCC[C@H](O)C[N@H+](CCCN(C)C)CCC(=O)OC ZINC001252599121 951494123 /nfs/dbraw/zinc/49/41/23/951494123.db2.gz XLJOJRZIXYXXKH-AWEZNQCLSA-N 1 3 286.416 1.130 20 30 CDEDHO N#CCOc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC001326473405 954397779 /nfs/dbraw/zinc/39/77/79/954397779.db2.gz JJOYBDYPQPAXAH-ZFWWWQNUSA-N 1 3 259.353 1.806 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001341284709 963350671 /nfs/dbraw/zinc/35/06/71/963350671.db2.gz MMHHXQPOIWMMRH-AWEZNQCLSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC001341284709 963350681 /nfs/dbraw/zinc/35/06/81/963350681.db2.gz MMHHXQPOIWMMRH-AWEZNQCLSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCCN(C(C)C)CC1 ZINC001341284709 963350692 /nfs/dbraw/zinc/35/06/92/963350692.db2.gz MMHHXQPOIWMMRH-AWEZNQCLSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601557 963480397 /nfs/dbraw/zinc/48/03/97/963480397.db2.gz WXIZLPDIJGTMNX-HUUCEWRRSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001341601557 963480401 /nfs/dbraw/zinc/48/04/01/963480401.db2.gz WXIZLPDIJGTMNX-HUUCEWRRSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341885308 963571832 /nfs/dbraw/zinc/57/18/32/963571832.db2.gz DJXHOYIZWGUTGY-QBQCOZBMSA-N 1 3 251.374 1.056 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CC)C1CC[NH2+]CC1 ZINC001342852966 963841270 /nfs/dbraw/zinc/84/12/70/963841270.db2.gz NCWWBDKKMYZAKQ-CYBMUJFWSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCN1CCC(NC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001356622146 969445198 /nfs/dbraw/zinc/44/51/98/969445198.db2.gz QIZXRBZXBHILKF-UHFFFAOYSA-N 1 3 292.427 1.206 20 30 CDEDHO C[NH+]1CCC(N2CC[C@@H](NC[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736728 342645032 /nfs/dbraw/zinc/64/50/32/342645032.db2.gz KLUCYJFKACIUNH-HUUCEWRRSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@@H+]2CC[C@@H](NC[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736728 342645033 /nfs/dbraw/zinc/64/50/33/342645033.db2.gz KLUCYJFKACIUNH-HUUCEWRRSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCC([N@H+]2CC[C@@H](NC[C@@H](C#N)CCC#N)C2)CC1 ZINC000591736728 342645034 /nfs/dbraw/zinc/64/50/34/342645034.db2.gz KLUCYJFKACIUNH-HUUCEWRRSA-N 1 3 289.427 1.188 20 30 CDEDHO CN1CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000442877702 362100119 /nfs/dbraw/zinc/10/01/19/362100119.db2.gz ROKYXLUTICKIQY-UONOGXRCSA-N 1 3 264.417 1.294 20 30 CDEDHO C[NH+](C)CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccn1 ZINC000442816114 362093013 /nfs/dbraw/zinc/09/30/13/362093013.db2.gz DEJDHAVHHOZDIH-DZGCQCFKSA-N 1 3 288.395 1.804 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722609 343884323 /nfs/dbraw/zinc/88/43/23/343884323.db2.gz BXGBIRSXFCNAFJ-GJZGRUSLSA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722609 343884324 /nfs/dbraw/zinc/88/43/24/343884324.db2.gz BXGBIRSXFCNAFJ-GJZGRUSLSA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)CN1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598722609 343884327 /nfs/dbraw/zinc/88/43/27/343884327.db2.gz BXGBIRSXFCNAFJ-GJZGRUSLSA-N 1 3 281.444 1.855 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(O)c1 ZINC000264070060 362956718 /nfs/dbraw/zinc/95/67/18/362956718.db2.gz CWPHDJMQSAXTCP-CQSZACIVSA-N 1 3 290.411 1.323 20 30 CDEDHO CN(C)CCOc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000264080886 362960593 /nfs/dbraw/zinc/96/05/93/362960593.db2.gz HFUZUZYZFQVURQ-UHFFFAOYSA-N 1 3 292.427 1.606 20 30 CDEDHO CC(C)[C@H](C[NH+]=C(N(C)C)N(C)C)N1CCCC1 ZINC000072272428 356717541 /nfs/dbraw/zinc/71/75/41/356717541.db2.gz QQOJSFWCKUHTLZ-ZDUSSCGKSA-N 1 3 254.422 1.586 20 30 CDEDHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000349923051 360962954 /nfs/dbraw/zinc/96/29/54/360962954.db2.gz UXPJZRXSCHYFPP-STQMWFEESA-N 1 3 267.373 1.105 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000074255519 369253890 /nfs/dbraw/zinc/25/38/90/369253890.db2.gz RJOCNVKTJQJXOL-MRXNPFEDSA-N 1 3 293.455 1.424 20 30 CDEDHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000574755546 295049443 /nfs/dbraw/zinc/04/94/43/295049443.db2.gz URNDWYDQYYOXKX-GFCCVEGCSA-N 1 3 279.359 1.926 20 30 CDEDHO C[C@H](CCNC1=[NH+]C[C@@H](C)N1)N(C)Cc1ccccc1 ZINC000285041658 377739264 /nfs/dbraw/zinc/73/92/64/377739264.db2.gz KOABOAUQECMVDU-ZIAGYGMSSA-N 1 3 274.412 1.834 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C#N)c1 ZINC000104165466 390485756 /nfs/dbraw/zinc/48/57/56/390485756.db2.gz OUUVOQLSXWBXDG-OAHLLOKOSA-N 1 3 285.395 1.447 20 30 CDEDHO CC(C#N)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000346108805 391333463 /nfs/dbraw/zinc/33/34/63/391333463.db2.gz MHFYKPBCHNCUJZ-GFCCVEGCSA-N 1 3 259.353 1.567 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345807528 391311595 /nfs/dbraw/zinc/31/15/95/391311595.db2.gz QFMIXUOYWFLMJK-ZBFHGGJFSA-N 1 3 285.391 1.827 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345807528 391311599 /nfs/dbraw/zinc/31/15/99/391311599.db2.gz QFMIXUOYWFLMJK-ZBFHGGJFSA-N 1 3 285.391 1.827 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977628 391375030 /nfs/dbraw/zinc/37/50/30/391375030.db2.gz FITPHFJOZJNAMJ-XHSDSOJGSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000285806913 391721196 /nfs/dbraw/zinc/72/11/96/391721196.db2.gz QYFFMOSQXPQFKJ-ZIAGYGMSSA-N 1 3 267.417 1.396 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000262663776 391809246 /nfs/dbraw/zinc/80/92/46/391809246.db2.gz MNUPOTDSRBWUOF-OCCSQVGLSA-N 1 3 288.395 1.509 20 30 CDEDHO C=CCOc1ccc(C[NH2+][C@H](C)CN)cc1OC ZINC000414931706 263137288 /nfs/dbraw/zinc/13/72/88/263137288.db2.gz QTHLAAIUWTWOTC-LLVKDONJSA-N 1 3 250.342 1.697 20 30 CDEDHO C[NH+](C)Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000570925809 327635950 /nfs/dbraw/zinc/63/59/50/327635950.db2.gz KSONJFKPGWPEHG-AWEZNQCLSA-N 1 3 274.368 1.708 20 30 CDEDHO C[C@H]1CCC[C@](CNC2=[NH+]CCN2C)(N(C)C)C1 ZINC000261588686 329971951 /nfs/dbraw/zinc/97/19/51/329971951.db2.gz VVYIHYKGKFJPKZ-JSGCOSHPSA-N 1 3 252.406 1.388 20 30 CDEDHO CSC1(C[NH+]=C(N(C)C)N(C)C)CCN(C)CC1 ZINC000262263958 330003204 /nfs/dbraw/zinc/00/32/04/330003204.db2.gz FIBFTKJYZFNBBH-UHFFFAOYSA-N 1 3 272.462 1.293 20 30 CDEDHO C[NH+]=C(NC1CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262496252 330017573 /nfs/dbraw/zinc/01/75/73/330017573.db2.gz WNFAYUQAFUMOLY-CYBMUJFWSA-N 1 3 250.390 1.284 20 30 CDEDHO CNC(NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)=[NH+]C ZINC000262617840 330023060 /nfs/dbraw/zinc/02/30/60/330023060.db2.gz BZCFNWZTKVUAIA-AAEUAGOBSA-N 1 3 280.441 1.926 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(C)C ZINC000262774333 330030650 /nfs/dbraw/zinc/03/06/50/330030650.db2.gz HYJYHEUCFZFQAQ-JHJVBQTASA-N 1 3 282.432 1.189 20 30 CDEDHO C[NH+]=C(NCCNC(C)(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262830776 330034726 /nfs/dbraw/zinc/03/47/26/330034726.db2.gz ZVJRJAXBNDXYIT-XQQFMLRXSA-N 1 3 296.459 1.353 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423372452 330195260 /nfs/dbraw/zinc/19/52/60/330195260.db2.gz GJMDIMSWAIVEOB-CQSZACIVSA-N 1 3 279.428 1.531 20 30 CDEDHO C[NH+](C)C1(CNC(=O)[C@H](N)CCCC#N)CCCCC1 ZINC000424084456 330222523 /nfs/dbraw/zinc/22/25/23/330222523.db2.gz YLQJAOWDNGRGHP-CYBMUJFWSA-N 1 3 280.416 1.388 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)C[NH+]1CCCCC1 ZINC000424126450 330258967 /nfs/dbraw/zinc/25/89/67/330258967.db2.gz BTFRJHWZROWLET-UONOGXRCSA-N 1 3 280.416 1.246 20 30 CDEDHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424142992 330286634 /nfs/dbraw/zinc/28/66/34/330286634.db2.gz JFTPRDQOJSAFAS-UONOGXRCSA-N 1 3 280.416 1.198 20 30 CDEDHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424142992 330286635 /nfs/dbraw/zinc/28/66/35/330286635.db2.gz JFTPRDQOJSAFAS-UONOGXRCSA-N 1 3 280.416 1.198 20 30 CDEDHO N#CCCC[C@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567669147 334749635 /nfs/dbraw/zinc/74/96/35/334749635.db2.gz QDQBTONMYTVLCY-ZDUSSCGKSA-N 1 3 272.352 1.292 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417545881 482595478 /nfs/dbraw/zinc/59/54/78/482595478.db2.gz YLJQVIGDXYYNME-UKRRQHHQSA-N 1 3 294.443 1.596 20 30 CDEDHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)N(C)C ZINC001734298994 1183719536 /nfs/dbraw/zinc/71/95/36/1183719536.db2.gz RNSAAEFRBMSCOU-HUUCEWRRSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353669137 527464385 /nfs/dbraw/zinc/46/43/85/527464385.db2.gz BPNVJWQFGZGPHW-HNNXBMFYSA-N 1 3 281.444 1.923 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948240484 613162122 /nfs/dbraw/zinc/16/21/22/613162122.db2.gz GMVCGDAAVABFAJ-CABCVRRESA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948240484 613162123 /nfs/dbraw/zinc/16/21/23/613162123.db2.gz GMVCGDAAVABFAJ-CABCVRRESA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000970800455 613348900 /nfs/dbraw/zinc/34/89/00/613348900.db2.gz PGNIHNNVKIOJTM-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684590 613596867 /nfs/dbraw/zinc/59/68/67/613596867.db2.gz JBAFVGQUCJZYRL-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129442785 1162474860 /nfs/dbraw/zinc/47/48/60/1162474860.db2.gz GDLCOSDZBLVLSU-OAHLLOKOSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001026366842 1159599257 /nfs/dbraw/zinc/59/92/57/1159599257.db2.gz QZAITHHMOIFEIK-AEGPPILISA-N 1 3 288.395 1.355 20 30 CDEDHO C#CC[C@@]1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516391 1170990002 /nfs/dbraw/zinc/99/00/02/1170990002.db2.gz FNWZRQNICLGHLT-PBHICJAKSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001715355979 1179639672 /nfs/dbraw/zinc/63/96/72/1179639672.db2.gz OTSIYCCEIPXSPS-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001716818656 1180424247 /nfs/dbraw/zinc/42/42/47/1180424247.db2.gz HUFYPSYLRAXLSC-HZPDHXFCSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842207 1184928662 /nfs/dbraw/zinc/92/86/62/1184928662.db2.gz VSLFQJHLSRRXSU-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130945 1185078255 /nfs/dbraw/zinc/07/82/55/1185078255.db2.gz JKTXKVIRUVURTD-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001753130945 1185078259 /nfs/dbraw/zinc/07/82/59/1185078259.db2.gz JKTXKVIRUVURTD-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001753154633 1185090958 /nfs/dbraw/zinc/09/09/58/1185090958.db2.gz KTIPKSSWRSRPQF-OAHLLOKOSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001753359813 1185167941 /nfs/dbraw/zinc/16/79/41/1185167941.db2.gz LYTJBUZAIARNHF-CQSZACIVSA-N 1 3 267.417 1.293 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001753359813 1185167946 /nfs/dbraw/zinc/16/79/46/1185167946.db2.gz LYTJBUZAIARNHF-CQSZACIVSA-N 1 3 267.417 1.293 20 30 CDEDHO C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001753403020 1185189089 /nfs/dbraw/zinc/18/90/89/1185189089.db2.gz KAYCBCJXENOMEX-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001754602877 1185679805 /nfs/dbraw/zinc/67/98/05/1185679805.db2.gz CLKQYVPDJBZPBF-HUUCEWRRSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[NH2+][C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001755348894 1185925523 /nfs/dbraw/zinc/92/55/23/1185925523.db2.gz KULMVMVMSRAPPE-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccc(C)cc1 ZINC000303911430 1186580928 /nfs/dbraw/zinc/58/09/28/1186580928.db2.gz ZPHNFHKXNBEWTE-UHFFFAOYSA-N 1 3 278.400 1.690 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184574911 1164359785 /nfs/dbraw/zinc/35/97/85/1164359785.db2.gz AGYKWCGJMOVUQA-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001000186576 796783374 /nfs/dbraw/zinc/78/33/74/796783374.db2.gz UQDGJPXPLJSQAV-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032455978 796830092 /nfs/dbraw/zinc/83/00/92/796830092.db2.gz GWWFBVKEHBMWMJ-PMPSAXMXSA-N 1 3 291.439 1.722 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032455978 796830094 /nfs/dbraw/zinc/83/00/94/796830094.db2.gz GWWFBVKEHBMWMJ-PMPSAXMXSA-N 1 3 291.439 1.722 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC(C)C ZINC000303877758 797031288 /nfs/dbraw/zinc/03/12/88/797031288.db2.gz FPFDTRWNBVAGBM-CYBMUJFWSA-N 1 3 254.422 1.811 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1CCCCO1 ZINC000305817385 797062099 /nfs/dbraw/zinc/06/20/99/797062099.db2.gz AJUIANXZCCCRHN-KGLIPLIRSA-N 1 3 282.432 1.334 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449531 797799492 /nfs/dbraw/zinc/79/94/92/797799492.db2.gz IPDVYJKDCYNVJA-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175271382 913523416 /nfs/dbraw/zinc/52/34/16/913523416.db2.gz ARKQILYEVUTFEU-HNNXBMFYSA-N 1 3 295.471 1.862 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCCCCC ZINC001114984746 894488802 /nfs/dbraw/zinc/48/88/02/894488802.db2.gz MPNPQKYGNPFQPP-QLPKVWCKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCCCCC ZINC001114984746 894488813 /nfs/dbraw/zinc/48/88/13/894488813.db2.gz MPNPQKYGNPFQPP-QLPKVWCKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001020676102 894522290 /nfs/dbraw/zinc/52/22/90/894522290.db2.gz RHFADMKOLJEBQZ-KKUMJFAQSA-N 1 3 279.428 1.672 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690286 898889176 /nfs/dbraw/zinc/88/91/76/898889176.db2.gz CGVNQGZWNHLKMG-KFWWJZLASA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC(C)C)CC1 ZINC001176926444 914358311 /nfs/dbraw/zinc/35/83/11/914358311.db2.gz MQMZPYITVDQHNQ-UHFFFAOYSA-N 1 3 279.428 1.084 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCC)CC1 ZINC001176925850 914358591 /nfs/dbraw/zinc/35/85/91/914358591.db2.gz CMRBMQLLJVPQPS-UHFFFAOYSA-N 1 3 279.428 1.228 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176992463 914420279 /nfs/dbraw/zinc/42/02/79/914420279.db2.gz QABIXKBUBFOLJO-CQSZACIVSA-N 1 3 267.417 1.533 20 30 CDEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303902536 906681768 /nfs/dbraw/zinc/68/17/68/906681768.db2.gz XVTWMTCITHCOOF-HNNXBMFYSA-N 1 3 295.475 1.061 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606794 908951397 /nfs/dbraw/zinc/95/13/97/908951397.db2.gz VBFKCVRJSRQBNF-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC001093224497 909703281 /nfs/dbraw/zinc/70/32/81/909703281.db2.gz ZFVIZFMOLCJLTH-GDBMZVCRSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC001093224497 909703289 /nfs/dbraw/zinc/70/32/89/909703289.db2.gz ZFVIZFMOLCJLTH-GDBMZVCRSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033079912 921705455 /nfs/dbraw/zinc/70/54/55/921705455.db2.gz ADQIMHBYDBUIAS-CVEARBPZSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538368 915880013 /nfs/dbraw/zinc/88/00/13/915880013.db2.gz BBKCVPOHLHHPOR-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026197 917602935 /nfs/dbraw/zinc/60/29/35/917602935.db2.gz AINWTIWLQBBKFQ-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026197 917602943 /nfs/dbraw/zinc/60/29/43/917602943.db2.gz AINWTIWLQBBKFQ-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996301204 918244133 /nfs/dbraw/zinc/24/41/33/918244133.db2.gz SDWMSAYTSBXODP-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201170 936556829 /nfs/dbraw/zinc/55/68/29/936556829.db2.gz CISRAFRCBBFGLL-RRFJBIMHSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050201170 936556830 /nfs/dbraw/zinc/55/68/30/936556830.db2.gz CISRAFRCBBFGLL-RRFJBIMHSA-N 1 3 277.412 1.047 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185217940 919481516 /nfs/dbraw/zinc/48/15/16/919481516.db2.gz XQVHAIMOXZHOBT-KGLIPLIRSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185536739 919665161 /nfs/dbraw/zinc/66/51/61/919665161.db2.gz OXWJNBWNZAYENJ-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC000999599915 919772914 /nfs/dbraw/zinc/77/29/14/919772914.db2.gz WLIXEWXKMBSRNX-UHFFFAOYSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102473949 937059388 /nfs/dbraw/zinc/05/93/88/937059388.db2.gz XVDUFTSIBWYBOW-ZIAGYGMSSA-N 1 3 267.417 1.198 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102473949 937059391 /nfs/dbraw/zinc/05/93/91/937059391.db2.gz XVDUFTSIBWYBOW-ZIAGYGMSSA-N 1 3 267.417 1.198 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663688 937149882 /nfs/dbraw/zinc/14/98/82/937149882.db2.gz OAWDEXNPVPCVFY-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663688 937149883 /nfs/dbraw/zinc/14/98/83/937149883.db2.gz OAWDEXNPVPCVFY-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156623233 928851278 /nfs/dbraw/zinc/85/12/78/928851278.db2.gz BEDYBWQQEKMVKP-GFCCVEGCSA-N 1 3 278.400 1.663 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156623233 928851284 /nfs/dbraw/zinc/85/12/84/928851284.db2.gz BEDYBWQQEKMVKP-GFCCVEGCSA-N 1 3 278.400 1.663 20 30 CDEDHO C=CC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152237298 937346254 /nfs/dbraw/zinc/34/62/54/937346254.db2.gz LXDQTZSIGMIFBU-UHFFFAOYSA-N 1 3 261.369 1.254 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777184 937419401 /nfs/dbraw/zinc/41/94/01/937419401.db2.gz GOWCROBRUGBPBW-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135981014 930581887 /nfs/dbraw/zinc/58/18/87/930581887.db2.gz WILXXYBGHLPICY-KBPBESRZSA-N 1 3 267.417 1.224 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171254555 932144501 /nfs/dbraw/zinc/14/45/01/932144501.db2.gz UJFKYEAMBYMEJK-HIFRSBDPSA-N 1 3 281.444 1.777 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066366 937628910 /nfs/dbraw/zinc/62/89/10/937628910.db2.gz GTVPZLNXWBIGGG-ZIAGYGMSSA-N 1 3 267.417 1.032 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237770 937652446 /nfs/dbraw/zinc/65/24/46/937652446.db2.gz JBPSZXNWACSVIX-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237770 937652447 /nfs/dbraw/zinc/65/24/47/937652447.db2.gz JBPSZXNWACSVIX-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044796223 935870434 /nfs/dbraw/zinc/87/04/34/935870434.db2.gz IKUZYDHGKDEXGF-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC001121938093 937892731 /nfs/dbraw/zinc/89/27/31/937892731.db2.gz RLEGJMIHTJABFB-XQQFMLRXSA-N 1 3 253.390 1.256 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156531159 938380684 /nfs/dbraw/zinc/38/06/84/938380684.db2.gz ZEBJQTURKJDMBP-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156531159 938380687 /nfs/dbraw/zinc/38/06/87/938380687.db2.gz ZEBJQTURKJDMBP-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158472890 938628417 /nfs/dbraw/zinc/62/84/17/938628417.db2.gz FTPNZUATRRRCKZ-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001158472890 938628419 /nfs/dbraw/zinc/62/84/19/938628419.db2.gz FTPNZUATRRRCKZ-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915773 938760326 /nfs/dbraw/zinc/76/03/26/938760326.db2.gz NQSBCOOEVINGPV-UKRRQHHQSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCn1cc(CN2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205558671 939903188 /nfs/dbraw/zinc/90/31/88/939903188.db2.gz HZQPQRGMAPETME-CQSZACIVSA-N 1 3 266.364 1.722 20 30 CDEDHO CCCCCCCNC(=O)NCCC[NH2+]CCCN ZINC001239253138 945366997 /nfs/dbraw/zinc/36/69/97/945366997.db2.gz OWHMFNDZBHECNU-UHFFFAOYSA-N 1 3 272.437 1.585 20 30 CDEDHO C#CCCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219634322 941366680 /nfs/dbraw/zinc/36/66/80/941366680.db2.gz TXADMCNVZUOUIC-ZDUSSCGKSA-N 1 3 253.390 1.012 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684580 941378124 /nfs/dbraw/zinc/37/81/24/941378124.db2.gz QOFVWDQVBVWHKY-MCIONIFRSA-N 1 3 267.417 1.564 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560385 941770598 /nfs/dbraw/zinc/77/05/98/941770598.db2.gz SMTIWLBASUAHNC-OAHLLOKOSA-N 1 3 293.455 1.733 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284511 942600932 /nfs/dbraw/zinc/60/09/32/942600932.db2.gz ISAWYTMQWYHZLK-HUUCEWRRSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001263098698 943743221 /nfs/dbraw/zinc/74/32/21/943743221.db2.gz LDYJVYUJRBFWGK-STQMWFEESA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC001263098698 943743223 /nfs/dbraw/zinc/74/32/23/943743223.db2.gz LDYJVYUJRBFWGK-STQMWFEESA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001263098763 943743520 /nfs/dbraw/zinc/74/35/20/943743520.db2.gz NIOFQVZZUIOOSP-LBPRGKRZSA-N 1 3 279.388 1.067 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001263103032 943745257 /nfs/dbraw/zinc/74/52/57/943745257.db2.gz LSKNABYQCHUGLX-OBJOEFQTSA-N 1 3 265.401 1.411 20 30 CDEDHO N#C[C@@H]1CC[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254647404 947569880 /nfs/dbraw/zinc/56/98/80/947569880.db2.gz CKBXQYFPMKWHPD-SYQHCUMBSA-N 1 3 263.385 1.649 20 30 CDEDHO C=CCCCCCC[C@@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246017209 947895158 /nfs/dbraw/zinc/89/51/58/947895158.db2.gz XJKPIFRFCYXVNS-LSDHHAIUSA-N 1 3 269.433 1.025 20 30 CDEDHO C#CCCC1(CC[NH2+]C[C@H](O)CN(CC)CC)N=N1 ZINC001253216618 951817878 /nfs/dbraw/zinc/81/78/78/951817878.db2.gz OXDWVZCXPRAYBF-ZDUSSCGKSA-N 1 3 266.389 1.244 20 30 CDEDHO C=C[C@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001253601513 951988783 /nfs/dbraw/zinc/98/87/83/951988783.db2.gz RBRSGNYDSWHPAR-KRWDZBQOSA-N 1 3 289.423 1.071 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317262835 957388236 /nfs/dbraw/zinc/38/82/36/957388236.db2.gz AAXNQZAUNQPERZ-UONOGXRCSA-N 1 3 269.433 1.633 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001318257894 958005114 /nfs/dbraw/zinc/00/51/14/958005114.db2.gz WANQDEYFARUDSX-KBPBESRZSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001318257894 958005127 /nfs/dbraw/zinc/00/51/27/958005127.db2.gz WANQDEYFARUDSX-KBPBESRZSA-N 1 3 267.417 1.339 20 30 CDEDHO CN(C)CC#CC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001346236617 965004952 /nfs/dbraw/zinc/00/49/52/965004952.db2.gz JPOIHJCTGKZRAQ-INIZCTEOSA-N 1 3 260.381 1.135 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001522100927 970398735 /nfs/dbraw/zinc/39/87/35/970398735.db2.gz HORZMZSUALMKMS-DZGCQCFKSA-N 1 3 269.433 1.933 20 30 CDEDHO C[C@H](CNC[C@@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719413 343883328 /nfs/dbraw/zinc/88/33/28/343883328.db2.gz HXPHIBTVEFWYNK-KGLIPLIRSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CN1CCCC1 ZINC000598719413 343883329 /nfs/dbraw/zinc/88/33/29/343883329.db2.gz HXPHIBTVEFWYNK-KGLIPLIRSA-N 1 3 267.417 1.609 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccsc1 ZINC000264072901 362957670 /nfs/dbraw/zinc/95/76/70/362957670.db2.gz DPJKELMMHAYPFJ-GFCCVEGCSA-N 1 3 266.414 1.637 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1O ZINC000264100145 362967241 /nfs/dbraw/zinc/96/72/41/362967241.db2.gz NWDMRTXZPYVAFI-AWEZNQCLSA-N 1 3 290.411 1.323 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1 ZINC000264123050 362973430 /nfs/dbraw/zinc/97/34/30/362973430.db2.gz RNXHWXGBJJQDMT-CQSZACIVSA-N 1 3 290.411 1.454 20 30 CDEDHO C[C@H]1C[N@H+](CCCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000374326670 370688368 /nfs/dbraw/zinc/68/83/68/370688368.db2.gz UAGCAAKEVJCVLG-LSDHHAIUSA-N 1 3 264.417 1.248 20 30 CDEDHO C[C@H]1C[N@@H+](CCCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000374326670 370688373 /nfs/dbraw/zinc/68/83/73/370688373.db2.gz UAGCAAKEVJCVLG-LSDHHAIUSA-N 1 3 264.417 1.248 20 30 CDEDHO C[N@H+](CCCCNCc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000580432052 363907247 /nfs/dbraw/zinc/90/72/47/363907247.db2.gz PAMYWMWWULUIIB-UHFFFAOYSA-N 1 3 298.394 1.565 20 30 CDEDHO C[N@@H+](CCCCNCc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000580432052 363907252 /nfs/dbraw/zinc/90/72/52/363907252.db2.gz PAMYWMWWULUIIB-UHFFFAOYSA-N 1 3 298.394 1.565 20 30 CDEDHO CC#CCCN1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000360451382 368298997 /nfs/dbraw/zinc/29/89/97/368298997.db2.gz ZYNHDABTSQRIKD-OAHLLOKOSA-N 1 3 252.402 1.833 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000579491516 372577398 /nfs/dbraw/zinc/57/73/98/372577398.db2.gz DNCYKHNYDMFBMZ-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194834651 378476820 /nfs/dbraw/zinc/47/68/20/378476820.db2.gz YPAILMLYVUHIMT-UHFFFAOYSA-N 1 3 294.424 1.025 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000069840967 378895852 /nfs/dbraw/zinc/89/58/52/378895852.db2.gz NUWASPYWACYPQS-CQSZACIVSA-N 1 3 284.448 1.438 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1 ZINC000104153496 390485057 /nfs/dbraw/zinc/48/50/57/390485057.db2.gz HZKFUMYYWAJACL-OAHLLOKOSA-N 1 3 292.402 1.757 20 30 CDEDHO C=C(C)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000351884324 391788992 /nfs/dbraw/zinc/78/89/92/391788992.db2.gz XXJVKHHUJXNYJV-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO N#Cc1ccc(N2CCC(NCC3([NH3+])CCC3)CC2)cc1 ZINC000423322857 392962068 /nfs/dbraw/zinc/96/20/68/392962068.db2.gz IWZPFVIZRNVBAU-UHFFFAOYSA-N 1 3 284.407 1.998 20 30 CDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000531396434 393060897 /nfs/dbraw/zinc/06/08/97/393060897.db2.gz QETQEAFAURJXHI-UHFFFAOYSA-N 1 3 294.424 1.185 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000249115369 261246733 /nfs/dbraw/zinc/24/67/33/261246733.db2.gz WHGGREOOTNEVHQ-SOUVJXGZSA-N 1 3 281.444 1.785 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000490951546 261262524 /nfs/dbraw/zinc/26/25/24/261262524.db2.gz YXUZIXPVPGSKGU-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000357168177 266259244 /nfs/dbraw/zinc/25/92/44/266259244.db2.gz BFYRSDTWFLYFMX-GOEBONIOSA-N 1 3 293.455 1.657 20 30 CDEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)CN(C)C)cc1 ZINC000291930084 328267398 /nfs/dbraw/zinc/26/73/98/328267398.db2.gz OGKVIYJXNGWWQX-LLVKDONJSA-N 1 3 264.373 1.620 20 30 CDEDHO C=CCN1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377924954 329035069 /nfs/dbraw/zinc/03/50/69/329035069.db2.gz PSVHCPGPCCYFMO-UHFFFAOYSA-N 1 3 277.412 1.381 20 30 CDEDHO C=CCNC(NC[C@]1(N(C)C)CCC[C@H](C)C1)=[NH+]C ZINC000263260500 330050938 /nfs/dbraw/zinc/05/09/38/330050938.db2.gz SIAPXPSHLLKDTO-ZFWWWQNUSA-N 1 3 266.433 1.848 20 30 CDEDHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424079284 330221672 /nfs/dbraw/zinc/22/16/72/330221672.db2.gz RAERHZWGLAOXBN-FZMZJTMJSA-N 1 3 274.368 1.344 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000424085801 330223162 /nfs/dbraw/zinc/22/31/62/330223162.db2.gz ZRQNAARPGKBUQE-CQSZACIVSA-N 1 3 280.416 1.436 20 30 CDEDHO C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001754447398 1159213900 /nfs/dbraw/zinc/21/39/00/1159213900.db2.gz DSMOGSIYGKZXSM-OAHLLOKOSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[C@H](CC)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000546666463 334044618 /nfs/dbraw/zinc/04/46/18/334044618.db2.gz DEIPSIJCNLMGBR-AWEZNQCLSA-N 1 3 284.448 1.476 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001753811600 1159913427 /nfs/dbraw/zinc/91/34/27/1159913427.db2.gz KVOYMNRCXWVDJV-UKRRQHHQSA-N 1 3 288.395 1.192 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001752787070 1160260906 /nfs/dbraw/zinc/26/09/06/1160260906.db2.gz FWDIEBPRBNGCQY-HOTGVXAUSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001752787070 1160260907 /nfs/dbraw/zinc/26/09/07/1160260907.db2.gz FWDIEBPRBNGCQY-HOTGVXAUSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001732435148 1160577874 /nfs/dbraw/zinc/57/78/74/1160577874.db2.gz FNELZSCYGJFMTN-LSDHHAIUSA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000764444602 575908087 /nfs/dbraw/zinc/90/80/87/575908087.db2.gz QINOTTNRTJHHNV-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO C#CCCN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825046 613005222 /nfs/dbraw/zinc/00/52/22/613005222.db2.gz GBHFNKMLHVWZSL-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000981825046 613005223 /nfs/dbraw/zinc/00/52/23/613005223.db2.gz GBHFNKMLHVWZSL-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969965666 613348230 /nfs/dbraw/zinc/34/82/30/613348230.db2.gz TZVUMDCUNJYOOX-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000965064000 613857833 /nfs/dbraw/zinc/85/78/33/613857833.db2.gz OZJWALQIBKZWIL-HOUHCIJLSA-N 1 3 291.439 1.531 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891920838 617774721 /nfs/dbraw/zinc/77/47/21/617774721.db2.gz FCOPIRFJUILZLJ-AWEZNQCLSA-N 1 3 294.443 1.019 20 30 CDEDHO C[C@@H](C#N)OCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852105272 617856840 /nfs/dbraw/zinc/85/68/40/617856840.db2.gz JHNXQOQVDJGWRC-UONOGXRCSA-N 1 3 251.374 1.333 20 30 CDEDHO C[C@@H](C#N)OCC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852105272 617856845 /nfs/dbraw/zinc/85/68/45/617856845.db2.gz JHNXQOQVDJGWRC-UONOGXRCSA-N 1 3 251.374 1.333 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911755009 629473931 /nfs/dbraw/zinc/47/39/31/629473931.db2.gz XBPGTIXKGZPYKP-AAEUAGOBSA-N 1 3 253.390 1.256 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132931484 1163511754 /nfs/dbraw/zinc/51/17/54/1163511754.db2.gz AFXNMKXGAKUVTP-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135368 1163579722 /nfs/dbraw/zinc/57/97/22/1163579722.db2.gz PZZWYKKMRDSVJR-STQMWFEESA-N 1 3 276.384 1.212 20 30 CDEDHO C#CCN(C)CCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC001574604422 1170996321 /nfs/dbraw/zinc/99/63/21/1170996321.db2.gz PKEQMYFZESNRNI-UHFFFAOYSA-N 1 3 274.368 1.222 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001674252887 1173927894 /nfs/dbraw/zinc/92/78/94/1173927894.db2.gz FCKHPWFEKKWLRG-NSHDSACASA-N 1 3 264.373 1.321 20 30 CDEDHO CC#CCN(C)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001751990908 1184805247 /nfs/dbraw/zinc/80/52/47/1184805247.db2.gz AJGCAGXBDONMRR-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO CC#CCN(C)CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001751990908 1184805252 /nfs/dbraw/zinc/80/52/52/1184805252.db2.gz AJGCAGXBDONMRR-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001753447571 1185213409 /nfs/dbraw/zinc/21/34/09/1185213409.db2.gz BYJLWMIPDQBVQH-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001753447571 1185213417 /nfs/dbraw/zinc/21/34/17/1185213417.db2.gz BYJLWMIPDQBVQH-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001754051316 1185442743 /nfs/dbraw/zinc/44/27/43/1185442743.db2.gz GTBKDRUWDFLBNL-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001754051316 1185442744 /nfs/dbraw/zinc/44/27/44/1185442744.db2.gz GTBKDRUWDFLBNL-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755046160 1185799173 /nfs/dbraw/zinc/79/91/73/1185799173.db2.gz WOOYSIIDKIUCHA-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755046160 1185799177 /nfs/dbraw/zinc/79/91/77/1185799177.db2.gz WOOYSIIDKIUCHA-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCCC[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001755385683 1185936992 /nfs/dbraw/zinc/93/69/92/1185936992.db2.gz AYHPCDHMTJHALL-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO CC#CC[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001755551402 1185987682 /nfs/dbraw/zinc/98/76/82/1185987682.db2.gz VFPQGXDGIVSOCM-JKSUJKDBSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134766573 1164102963 /nfs/dbraw/zinc/10/29/63/1164102963.db2.gz IXUFNMGIYCVORB-OAHLLOKOSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184574915 1164359623 /nfs/dbraw/zinc/35/96/23/1164359623.db2.gz AGYKWCGJMOVUQA-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035720590 811643161 /nfs/dbraw/zinc/64/31/61/811643161.db2.gz KZONWBXDAXSYJO-HNNXBMFYSA-N 1 3 291.439 1.437 20 30 CDEDHO N#Cc1ccc(NCCN[C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925892904 811774700 /nfs/dbraw/zinc/77/47/00/811774700.db2.gz HQODNIFBBMKWQW-STQMWFEESA-N 1 3 259.357 1.082 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330006 811820718 /nfs/dbraw/zinc/82/07/18/811820718.db2.gz DXLGTONGCLESBT-ZMSDIMECSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330006 811820722 /nfs/dbraw/zinc/82/07/22/811820722.db2.gz DXLGTONGCLESBT-ZMSDIMECSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002566 811917001 /nfs/dbraw/zinc/91/70/01/811917001.db2.gz CWGHOALVDXUMNR-HNNXBMFYSA-N 1 3 296.374 1.552 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052430415 812043524 /nfs/dbraw/zinc/04/35/24/812043524.db2.gz SDLNWYOBEDXTCI-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052430415 812043535 /nfs/dbraw/zinc/04/35/35/812043535.db2.gz SDLNWYOBEDXTCI-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005180587 812325372 /nfs/dbraw/zinc/32/53/72/812325372.db2.gz TXLCBOLTBWIWSE-CQSZACIVSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030380 812439289 /nfs/dbraw/zinc/43/92/89/812439289.db2.gz ZGWXKZQQDCISMA-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030380 812439331 /nfs/dbraw/zinc/43/93/31/812439331.db2.gz ZGWXKZQQDCISMA-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562908 812832390 /nfs/dbraw/zinc/83/23/90/812832390.db2.gz YSSUJWOAOIGRNN-HUUCEWRRSA-N 1 3 279.428 1.129 20 30 CDEDHO C#CCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860666 813819448 /nfs/dbraw/zinc/81/94/48/813819448.db2.gz KDXXZNLOLSDDEJ-HOCLYGCPSA-N 1 3 262.397 1.585 20 30 CDEDHO C#CCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000851860666 813819449 /nfs/dbraw/zinc/81/94/49/813819449.db2.gz KDXXZNLOLSDDEJ-HOCLYGCPSA-N 1 3 262.397 1.585 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000262011262 814580723 /nfs/dbraw/zinc/58/07/23/814580723.db2.gz UIDHZJQYSSXBMM-CHWSQXEVSA-N 1 3 254.422 1.810 20 30 CDEDHO CN(C)C(=[NH+]C[C@@H](C1CCCCC1)N(C)C)N(C)C ZINC000262014385 816922982 /nfs/dbraw/zinc/92/29/82/816922982.db2.gz VMAQJOLKUSVVHP-AWEZNQCLSA-N 1 3 268.449 1.976 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC001006408095 816941321 /nfs/dbraw/zinc/94/13/21/816941321.db2.gz RUQJBONLJIUOEX-UHFFFAOYSA-N 1 3 277.412 1.028 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCC#N ZINC000170915077 816970560 /nfs/dbraw/zinc/97/05/60/816970560.db2.gz HPBBDSPVFAJQHT-LBPRGKRZSA-N 1 3 251.378 1.069 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008298128 817006214 /nfs/dbraw/zinc/00/62/14/817006214.db2.gz HQRQZQIAIGVRRG-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008298128 817006219 /nfs/dbraw/zinc/00/62/19/817006219.db2.gz HQRQZQIAIGVRRG-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046554480 817148920 /nfs/dbraw/zinc/14/89/20/817148920.db2.gz QHFATCQVPLHZCQ-HOCLYGCPSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046554480 817148926 /nfs/dbraw/zinc/14/89/26/817148926.db2.gz QHFATCQVPLHZCQ-HOCLYGCPSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046554480 817148928 /nfs/dbraw/zinc/14/89/28/817148928.db2.gz QHFATCQVPLHZCQ-HOCLYGCPSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046554480 817148935 /nfs/dbraw/zinc/14/89/35/817148935.db2.gz QHFATCQVPLHZCQ-HOCLYGCPSA-N 1 3 277.412 1.075 20 30 CDEDHO CCC(CC)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000304738554 817194909 /nfs/dbraw/zinc/19/49/09/817194909.db2.gz AUBUDNIQIWFXFQ-CYBMUJFWSA-N 1 3 254.422 1.811 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033357882 817206608 /nfs/dbraw/zinc/20/66/08/817206608.db2.gz CSALDVLNBUDVAX-JYJNAYRXSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033357882 817206620 /nfs/dbraw/zinc/20/66/20/817206620.db2.gz CSALDVLNBUDVAX-JYJNAYRXSA-N 1 3 291.439 1.273 20 30 CDEDHO COC[C@@H](C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000104153857 817348583 /nfs/dbraw/zinc/34/85/83/817348583.db2.gz WTAFRTVKWHYKOL-GFCCVEGCSA-N 1 3 258.410 1.044 20 30 CDEDHO C=C(Cl)CN[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817903396 817557835 /nfs/dbraw/zinc/55/78/35/817557835.db2.gz BMCPHYQZCVQLOV-LLVKDONJSA-N 1 3 274.792 1.650 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620815 817573056 /nfs/dbraw/zinc/57/30/56/817573056.db2.gz UHEZFYVRGUGASO-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036054552 817796766 /nfs/dbraw/zinc/79/67/66/817796766.db2.gz LRXJKWAUQGHEEW-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001209266650 894577737 /nfs/dbraw/zinc/57/77/37/894577737.db2.gz ZZDCVHSFPLYDCA-UHFFFAOYSA-N 1 3 265.445 1.749 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167257797 894971304 /nfs/dbraw/zinc/97/13/04/894971304.db2.gz IXDVCUIRZVLCBC-ZDUSSCGKSA-N 1 3 267.417 1.389 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327096 906435440 /nfs/dbraw/zinc/43/54/40/906435440.db2.gz CEOMEQUDFHJHJL-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327096 906435447 /nfs/dbraw/zinc/43/54/47/906435447.db2.gz CEOMEQUDFHJHJL-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001088577754 908139063 /nfs/dbraw/zinc/13/90/63/908139063.db2.gz NDTQMMDXVCLNEV-SYQHCUMBSA-N 1 3 265.401 1.092 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001088577754 908139067 /nfs/dbraw/zinc/13/90/67/908139067.db2.gz NDTQMMDXVCLNEV-SYQHCUMBSA-N 1 3 265.401 1.092 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996301206 918243623 /nfs/dbraw/zinc/24/36/23/918243623.db2.gz SDWMSAYTSBXODP-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187322636 920468442 /nfs/dbraw/zinc/46/84/42/920468442.db2.gz POPAUSSXSPDNSF-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550644 923125635 /nfs/dbraw/zinc/12/56/35/923125635.db2.gz JWQJYJAGEFRZGL-CQSZACIVSA-N 1 3 276.384 1.451 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550644 923125646 /nfs/dbraw/zinc/12/56/46/923125646.db2.gz JWQJYJAGEFRZGL-CQSZACIVSA-N 1 3 276.384 1.451 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873260 936942399 /nfs/dbraw/zinc/94/23/99/936942399.db2.gz ZKKJDYHGRRSJDT-IYXRBSQSSA-N 1 3 299.846 1.565 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100873260 936942401 /nfs/dbraw/zinc/94/24/01/936942401.db2.gz ZKKJDYHGRRSJDT-IYXRBSQSSA-N 1 3 299.846 1.565 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082740766 924990858 /nfs/dbraw/zinc/99/08/58/924990858.db2.gz FYNRHZYIAQUVSI-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476365 936974252 /nfs/dbraw/zinc/97/42/52/936974252.db2.gz PQZXBXYNXWBRRW-WBVHZDCISA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101476365 936974254 /nfs/dbraw/zinc/97/42/54/936974254.db2.gz PQZXBXYNXWBRRW-WBVHZDCISA-N 1 3 293.455 1.683 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086475 937121347 /nfs/dbraw/zinc/12/13/47/937121347.db2.gz FCMPCKSUMYUXDF-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086475 937121350 /nfs/dbraw/zinc/12/13/50/937121350.db2.gz FCMPCKSUMYUXDF-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755706 937154453 /nfs/dbraw/zinc/15/44/53/937154453.db2.gz NWJRNJVSMVKMGI-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755706 937154457 /nfs/dbraw/zinc/15/44/57/937154457.db2.gz NWJRNJVSMVKMGI-HZPDHXFCSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001149891254 937209305 /nfs/dbraw/zinc/20/93/05/937209305.db2.gz YBEVMZLCZZKUSD-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001149891254 937209308 /nfs/dbraw/zinc/20/93/08/937209308.db2.gz YBEVMZLCZZKUSD-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110695079 928338984 /nfs/dbraw/zinc/33/89/84/928338984.db2.gz ZXODKXNIHNEBOQ-WCVJEAGWSA-N 1 3 293.455 1.870 20 30 CDEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001110695079 928338994 /nfs/dbraw/zinc/33/89/94/928338994.db2.gz ZXODKXNIHNEBOQ-WCVJEAGWSA-N 1 3 293.455 1.870 20 30 CDEDHO C=CC[C@@H](C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001144029356 931632206 /nfs/dbraw/zinc/63/22/06/931632206.db2.gz UYZQYNYSUAUZHM-LLVKDONJSA-N 1 3 254.378 1.262 20 30 CDEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469543 932712932 /nfs/dbraw/zinc/71/29/32/932712932.db2.gz MTLBRYVHCWJMQK-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469543 932712936 /nfs/dbraw/zinc/71/29/36/932712936.db2.gz MTLBRYVHCWJMQK-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO CC(C)[N@H+](C)CCCNC[C@H](O)CC(C)(C)C#N ZINC001120569556 937811654 /nfs/dbraw/zinc/81/16/54/937811654.db2.gz BMSUGGJDEGDXNX-CYBMUJFWSA-N 1 3 255.406 1.607 20 30 CDEDHO CC(C)[N@@H+](C)CCCNC[C@H](O)CC(C)(C)C#N ZINC001120569556 937811655 /nfs/dbraw/zinc/81/16/55/937811655.db2.gz BMSUGGJDEGDXNX-CYBMUJFWSA-N 1 3 255.406 1.607 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357961 935798255 /nfs/dbraw/zinc/79/82/55/935798255.db2.gz JPFKIAKCBONBME-WBVHZDCISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357961 935798256 /nfs/dbraw/zinc/79/82/56/935798256.db2.gz JPFKIAKCBONBME-WBVHZDCISA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001121991566 937897457 /nfs/dbraw/zinc/89/74/57/937897457.db2.gz UIXYQVZHWZYZQL-AWEZNQCLSA-N 1 3 267.417 1.470 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(C#N)cc(C)n1 ZINC001163129155 939207369 /nfs/dbraw/zinc/20/73/69/939207369.db2.gz HSPIGUDDAIBXHS-UHFFFAOYSA-N 1 3 274.372 1.540 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204797986 939791797 /nfs/dbraw/zinc/79/17/97/939791797.db2.gz CUOBVLZCWPOUTB-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO COc1cc(C#N)ccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205239785 939840887 /nfs/dbraw/zinc/84/08/87/939840887.db2.gz FSVFQWUZFXKYMF-INIZCTEOSA-N 1 3 289.379 1.243 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208454676 940332649 /nfs/dbraw/zinc/33/26/49/940332649.db2.gz ZFLZEXSEFKELAL-AWEZNQCLSA-N 1 3 279.428 1.321 20 30 CDEDHO CC(C)(C#N)c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218582399 941240658 /nfs/dbraw/zinc/24/06/58/941240658.db2.gz WTPVJWCGCRRBTA-LBPRGKRZSA-N 1 3 289.383 1.278 20 30 CDEDHO Cc1coc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1C#N ZINC001218768254 941269016 /nfs/dbraw/zinc/26/90/16/941269016.db2.gz IVBJCHVXEJYLBF-ZDUSSCGKSA-N 1 3 292.383 1.894 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001223507426 941682948 /nfs/dbraw/zinc/68/29/48/941682948.db2.gz RYRDYKIMDHVMOL-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001223507426 941682949 /nfs/dbraw/zinc/68/29/49/941682949.db2.gz RYRDYKIMDHVMOL-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955647 941710424 /nfs/dbraw/zinc/71/04/24/941710424.db2.gz QPFYVEKFQKTOGX-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225578516 941884083 /nfs/dbraw/zinc/88/40/83/941884083.db2.gz VGUJUTDOMISDAP-UHFFFAOYSA-N 1 3 267.417 1.341 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001265456142 944394541 /nfs/dbraw/zinc/39/45/41/944394541.db2.gz IJPRWIVVJPZVEC-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO N#CC1(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686707 948394140 /nfs/dbraw/zinc/39/41/40/948394140.db2.gz SWGINMYCFNDGGH-UHFFFAOYSA-N 1 3 263.385 1.523 20 30 CDEDHO C=CCC[C@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001252619899 951510957 /nfs/dbraw/zinc/51/09/57/951510957.db2.gz PEYWLQDKKKPJMI-KRWDZBQOSA-N 1 3 296.455 1.794 20 30 CDEDHO C=CCC[C@H](O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001252619899 951510968 /nfs/dbraw/zinc/51/09/68/951510968.db2.gz PEYWLQDKKKPJMI-KRWDZBQOSA-N 1 3 296.455 1.794 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317262836 957387363 /nfs/dbraw/zinc/38/73/63/957387363.db2.gz AAXNQZAUNQPERZ-ZIAGYGMSSA-N 1 3 269.433 1.633 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335460377 959820468 /nfs/dbraw/zinc/82/04/68/959820468.db2.gz NLJHPQBDOGADEA-HNNXBMFYSA-N 1 3 294.443 1.468 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC001340075632 962727195 /nfs/dbraw/zinc/72/71/95/962727195.db2.gz OLNRJPDHUYSIRU-CYBMUJFWSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC001340075632 962727210 /nfs/dbraw/zinc/72/72/10/962727210.db2.gz OLNRJPDHUYSIRU-CYBMUJFWSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC001340296945 962867751 /nfs/dbraw/zinc/86/77/51/962867751.db2.gz LHFSWCAENJPISG-QWHCGFSZSA-N 1 3 253.390 1.400 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001340311612 962883976 /nfs/dbraw/zinc/88/39/76/962883976.db2.gz KXBVAOZUAFBLEA-KFWWJZLASA-N 1 3 281.444 1.885 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC001353967053 968381090 /nfs/dbraw/zinc/38/10/90/968381090.db2.gz OXURBQJPBZBTGB-CQSZACIVSA-N 1 3 261.369 1.445 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100685990 968948052 /nfs/dbraw/zinc/94/80/52/968948052.db2.gz ZYYOLCGYQCMBJX-RUXDESIVSA-N 1 3 267.417 1.387 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255985 342683200 /nfs/dbraw/zinc/68/32/00/342683200.db2.gz VLFXTXUALYBUTI-ZNMIVQPWSA-N 1 3 292.427 1.246 20 30 CDEDHO N#Cc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594493699 342913836 /nfs/dbraw/zinc/91/38/36/342913836.db2.gz HVXRMTUORHTMAV-QGZVFWFLSA-N 1 3 285.391 1.901 20 30 CDEDHO N#Cc1ccc(CCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000595896101 343183163 /nfs/dbraw/zinc/18/31/63/343183163.db2.gz ZOLPZBRREKTRHX-QGZVFWFLSA-N 1 3 299.418 1.788 20 30 CDEDHO N#Cc1ccc(CC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000595896101 343183165 /nfs/dbraw/zinc/18/31/65/343183165.db2.gz ZOLPZBRREKTRHX-QGZVFWFLSA-N 1 3 299.418 1.788 20 30 CDEDHO N#Cc1ccc(CC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000595896101 343183166 /nfs/dbraw/zinc/18/31/66/343183166.db2.gz ZOLPZBRREKTRHX-QGZVFWFLSA-N 1 3 299.418 1.788 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000264152158 362980650 /nfs/dbraw/zinc/98/06/50/362980650.db2.gz ZOIWPJNHDNJKOM-LBPRGKRZSA-N 1 3 280.441 1.679 20 30 CDEDHO CN1CCN(CCCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000539440128 359012964 /nfs/dbraw/zinc/01/29/64/359012964.db2.gz VTGKGJUTPBUECK-UHFFFAOYSA-N 1 3 292.452 1.737 20 30 CDEDHO C=CCOCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000348029565 359779096 /nfs/dbraw/zinc/77/90/96/359779096.db2.gz FWCVWWVHWTWKPR-ARFHVFGLSA-N 1 3 282.428 1.763 20 30 CDEDHO C=CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192839229 373645571 /nfs/dbraw/zinc/64/55/71/373645571.db2.gz AYHFQGBUXVSGHG-MQVJKMGUSA-N 1 3 263.429 1.852 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362801002 391133051 /nfs/dbraw/zinc/13/30/51/391133051.db2.gz JYLSNCKOPSOHAP-UKRRQHHQSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362801002 391133052 /nfs/dbraw/zinc/13/30/52/391133052.db2.gz JYLSNCKOPSOHAP-UKRRQHHQSA-N 1 3 279.428 1.341 20 30 CDEDHO C[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345116408 392019978 /nfs/dbraw/zinc/01/99/78/392019978.db2.gz VUEBXSDWLMUPJY-GJZGRUSLSA-N 1 3 294.443 1.553 20 30 CDEDHO CN(C)CCN1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000343298480 152110398 /nfs/dbraw/zinc/11/03/98/152110398.db2.gz ZNTCBMGTOYUCAD-UHFFFAOYSA-N 1 3 292.452 1.735 20 30 CDEDHO CC#CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955098 261175159 /nfs/dbraw/zinc/17/51/59/261175159.db2.gz ZFZXLPSTJKTQOE-UHFFFAOYSA-N 1 3 250.386 1.587 20 30 CDEDHO C=CCN(CCC[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414747491 263037636 /nfs/dbraw/zinc/03/76/36/263037636.db2.gz ULHYFNSRXIWEIL-CYBMUJFWSA-N 1 3 286.383 1.560 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000340186210 263084266 /nfs/dbraw/zinc/08/42/66/263084266.db2.gz ZLKFWELXCLSIIA-ZIAGYGMSSA-N 1 3 267.417 1.539 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1occc1C ZINC000291897761 263126466 /nfs/dbraw/zinc/12/64/66/263126466.db2.gz KJKPSFPUCAUQCN-GFCCVEGCSA-N 1 3 264.373 1.477 20 30 CDEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000292375115 263131682 /nfs/dbraw/zinc/13/16/82/263131682.db2.gz MOSDLEGGOGGXKB-XJKSGUPXSA-N 1 3 298.390 1.554 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C(C)C ZINC000165202791 264209634 /nfs/dbraw/zinc/20/96/34/264209634.db2.gz DECRTHGWCBRROR-HOCLYGCPSA-N 1 3 297.418 1.503 20 30 CDEDHO CN1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579388314 324177074 /nfs/dbraw/zinc/17/70/74/324177074.db2.gz NARZNSLSNMVGAA-GFCCVEGCSA-N 1 3 284.367 1.032 20 30 CDEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000358785622 328895158 /nfs/dbraw/zinc/89/51/58/328895158.db2.gz IGVLOWRDJGGNGG-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO C[C@H]1CCC[C@](C[NH+]=C(N(C)C)N(C)C)(N(C)C)C1 ZINC000261998737 329996059 /nfs/dbraw/zinc/99/60/59/329996059.db2.gz OPKGKHZTEDNXGS-ZFWWWQNUSA-N 1 3 268.449 1.976 20 30 CDEDHO C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262504806 330018538 /nfs/dbraw/zinc/01/85/38/330018538.db2.gz ZOLHWYJYOURZTB-CABCVRRESA-N 1 3 294.443 1.301 20 30 CDEDHO C=CCOc1cccc(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000265918076 330063456 /nfs/dbraw/zinc/06/34/56/330063456.db2.gz ZNXVDPNCWNVIPT-UHFFFAOYSA-N 1 3 290.407 1.798 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423382188 330199306 /nfs/dbraw/zinc/19/93/06/330199306.db2.gz OCCNYUQQCXLWHT-TZMCWYRMSA-N 1 3 265.401 1.141 20 30 CDEDHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754569383 1159281918 /nfs/dbraw/zinc/28/19/18/1159281918.db2.gz NECCDYICBBLBGH-KRWDZBQOSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754569383 1159281924 /nfs/dbraw/zinc/28/19/24/1159281924.db2.gz NECCDYICBBLBGH-KRWDZBQOSA-N 1 3 291.439 1.276 20 30 CDEDHO C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001754933226 1159489598 /nfs/dbraw/zinc/48/95/98/1159489598.db2.gz PBUUDLNDCIMCCU-AWEZNQCLSA-N 1 3 290.411 1.747 20 30 CDEDHO CC#CCN1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001755847459 1160625796 /nfs/dbraw/zinc/62/57/96/1160625796.db2.gz AAWFLFOXMCKRCB-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559421 1161219729 /nfs/dbraw/zinc/21/97/29/1161219729.db2.gz OIJFYGPKIJCMDF-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559421 1161219733 /nfs/dbraw/zinc/21/97/33/1161219733.db2.gz OIJFYGPKIJCMDF-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000764608140 575925531 /nfs/dbraw/zinc/92/55/31/575925531.db2.gz BNURSJFPZCNCRK-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000970169168 612962249 /nfs/dbraw/zinc/96/22/49/612962249.db2.gz QNJQFZRRAAZQFW-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971730534 613289839 /nfs/dbraw/zinc/28/98/39/613289839.db2.gz QQQPFXAAXDHWOF-GJZGRUSLSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971730534 613289840 /nfs/dbraw/zinc/28/98/40/613289840.db2.gz QQQPFXAAXDHWOF-GJZGRUSLSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485045 613347772 /nfs/dbraw/zinc/34/77/72/613347772.db2.gz FYXLZLGENMNESA-KGLIPLIRSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC000969791529 613483107 /nfs/dbraw/zinc/48/31/07/613483107.db2.gz FPXQNJSJIZBDMA-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686282 613612540 /nfs/dbraw/zinc/61/25/40/613612540.db2.gz CBNSNUYHHSJXAE-CQSZACIVSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686282 613612541 /nfs/dbraw/zinc/61/25/41/613612541.db2.gz CBNSNUYHHSJXAE-CQSZACIVSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013525 613680744 /nfs/dbraw/zinc/68/07/44/613680744.db2.gz UMGGLGWOUVEBTJ-CABCVRRESA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013525 613680745 /nfs/dbraw/zinc/68/07/45/613680745.db2.gz UMGGLGWOUVEBTJ-CABCVRRESA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCN1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473228 613826740 /nfs/dbraw/zinc/82/67/40/613826740.db2.gz WMUAQQYHPMKBOC-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473228 613826741 /nfs/dbraw/zinc/82/67/41/613826741.db2.gz WMUAQQYHPMKBOC-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133823377 1163910971 /nfs/dbraw/zinc/91/09/71/1163910971.db2.gz DQUAWMWXEVNQDA-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001700184673 1176788882 /nfs/dbraw/zinc/78/88/82/1176788882.db2.gz NJGHJSFRVOQLQJ-JKSUJKDBSA-N 1 3 293.455 1.567 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001700184673 1176788891 /nfs/dbraw/zinc/78/88/91/1176788891.db2.gz NJGHJSFRVOQLQJ-JKSUJKDBSA-N 1 3 293.455 1.567 20 30 CDEDHO CC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001753626051 1185275238 /nfs/dbraw/zinc/27/52/38/1185275238.db2.gz OENVEXRRCNKVAT-AWEZNQCLSA-N 1 3 279.428 1.226 20 30 CDEDHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754179628 1185495497 /nfs/dbraw/zinc/49/54/97/1185495497.db2.gz LUWOOUKXQPMNGS-WAVCKPEOSA-N 1 3 291.439 1.535 20 30 CDEDHO CC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754179628 1185495502 /nfs/dbraw/zinc/49/55/02/1185495502.db2.gz LUWOOUKXQPMNGS-WAVCKPEOSA-N 1 3 291.439 1.535 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754500153 1185646396 /nfs/dbraw/zinc/64/63/96/1185646396.db2.gz LHBBBALTTCEOCP-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001754500153 1185646398 /nfs/dbraw/zinc/64/63/98/1185646398.db2.gz LHBBBALTTCEOCP-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001755301742 1185901888 /nfs/dbraw/zinc/90/18/88/1185901888.db2.gz RLIMEMDRIJRVNM-ZDUSSCGKSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001755301742 1185901891 /nfs/dbraw/zinc/90/18/91/1185901891.db2.gz RLIMEMDRIJRVNM-ZDUSSCGKSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001755518543 1185977526 /nfs/dbraw/zinc/97/75/26/1185977526.db2.gz QAGHAUSMSRSBPJ-HZPDHXFCSA-N 1 3 293.455 1.757 20 30 CDEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041402341 818275403 /nfs/dbraw/zinc/27/54/03/818275403.db2.gz HRMHOCGYDMOVBV-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041402341 818275408 /nfs/dbraw/zinc/27/54/08/818275408.db2.gz HRMHOCGYDMOVBV-WBVHZDCISA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030382 819091525 /nfs/dbraw/zinc/09/15/25/819091525.db2.gz ZGWXKZQQDCISMA-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030382 819091519 /nfs/dbraw/zinc/09/15/19/819091519.db2.gz ZGWXKZQQDCISMA-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001036059201 819340004 /nfs/dbraw/zinc/34/00/04/819340004.db2.gz CXKBYAIDKVZJTR-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000849045494 820338403 /nfs/dbraw/zinc/33/84/03/820338403.db2.gz KSLNWLPZTJWRBA-HOTGVXAUSA-N 1 3 284.407 1.959 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001752950800 1166985251 /nfs/dbraw/zinc/98/52/51/1166985251.db2.gz BDVSCDRFDQUBCD-JKSUJKDBSA-N 1 3 293.455 1.733 20 30 CDEDHO C[NH+]1CCC(NC[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000037887423 821214035 /nfs/dbraw/zinc/21/40/35/821214035.db2.gz SFHBCZARNWIICU-OAHLLOKOSA-N 1 3 259.353 1.275 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632312 821810564 /nfs/dbraw/zinc/81/05/64/821810564.db2.gz XDJVSEOLGNIRFG-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038632312 821810565 /nfs/dbraw/zinc/81/05/65/821810565.db2.gz XDJVSEOLGNIRFG-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029001729 821868973 /nfs/dbraw/zinc/86/89/73/821868973.db2.gz BOUZZAGNBDBFNX-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029001729 821868980 /nfs/dbraw/zinc/86/89/80/821868980.db2.gz BOUZZAGNBDBFNX-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C[C@@H](C[NH+]=C(N(C)C)N(C)C)N1CCCC[C@H]1C ZINC000262021935 821957482 /nfs/dbraw/zinc/95/74/82/821957482.db2.gz YBRQACBALKFOJD-OLZOCXBDSA-N 1 3 254.422 1.729 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447398 822029705 /nfs/dbraw/zinc/02/97/05/822029705.db2.gz VXRHHGFUTMALIX-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447398 822029717 /nfs/dbraw/zinc/02/97/17/822029717.db2.gz VXRHHGFUTMALIX-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995899048 822214231 /nfs/dbraw/zinc/21/42/31/822214231.db2.gz VFMXLDNINYQXAV-GJZGRUSLSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030379 822249366 /nfs/dbraw/zinc/24/93/66/822249366.db2.gz ZGWXKZQQDCISMA-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030379 822249377 /nfs/dbraw/zinc/24/93/77/822249377.db2.gz ZGWXKZQQDCISMA-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N(C)C2CC2)(N(C)C)C1 ZINC000305816030 822363192 /nfs/dbraw/zinc/36/31/92/822363192.db2.gz MGEPWXQGBFERBP-IUODEOHRSA-N 1 3 266.433 1.906 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016827518 822480082 /nfs/dbraw/zinc/48/00/82/822480082.db2.gz WVIAIPYYPBCCFE-GJZGRUSLSA-N 1 3 291.439 1.485 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001028759508 822632073 /nfs/dbraw/zinc/63/20/73/822632073.db2.gz VYHGCZHPSAWKBQ-CVEARBPZSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028759508 822632074 /nfs/dbraw/zinc/63/20/74/822632074.db2.gz VYHGCZHPSAWKBQ-CVEARBPZSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267067089 896674465 /nfs/dbraw/zinc/67/44/65/896674465.db2.gz NGIXNRFCZLBLJO-GJZGRUSLSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087711319 905786894 /nfs/dbraw/zinc/78/68/94/905786894.db2.gz WTQHVJSQGJMWHK-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910598 915633830 /nfs/dbraw/zinc/63/38/30/915633830.db2.gz FSCHHKVHWXGFEK-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179591099 915887892 /nfs/dbraw/zinc/88/78/92/915887892.db2.gz PFSWHLSLVOCFCG-UHFFFAOYSA-N 1 3 293.455 1.618 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580592 915908679 /nfs/dbraw/zinc/90/86/79/915908679.db2.gz JHAYVZXOWYIGCL-HNNXBMFYSA-N 1 3 281.444 1.923 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850544 916010430 /nfs/dbraw/zinc/01/04/30/916010430.db2.gz GMLQFMKLHLBOCU-UHFFFAOYSA-N 1 3 281.444 1.618 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226663 916205938 /nfs/dbraw/zinc/20/59/38/916205938.db2.gz FXJOHSUTENWIQI-KBPBESRZSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181895847 917451416 /nfs/dbraw/zinc/45/14/16/917451416.db2.gz GTAOICNJKCXYNT-BFYDXBDKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032455977 919150576 /nfs/dbraw/zinc/15/05/76/919150576.db2.gz GWWFBVKEHBMWMJ-JYJNAYRXSA-N 1 3 291.439 1.722 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032455977 919150584 /nfs/dbraw/zinc/15/05/84/919150584.db2.gz GWWFBVKEHBMWMJ-JYJNAYRXSA-N 1 3 291.439 1.722 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185217942 919483499 /nfs/dbraw/zinc/48/34/99/919483499.db2.gz XQVHAIMOXZHOBT-ZIAGYGMSSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185455868 919609301 /nfs/dbraw/zinc/60/93/01/919609301.db2.gz UPTBUSZBEZAXHZ-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN(CC)CC ZINC001168755083 922657546 /nfs/dbraw/zinc/65/75/46/922657546.db2.gz HQXJSILJTMEJMJ-UHFFFAOYSA-N 1 3 255.406 1.390 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353851 923026307 /nfs/dbraw/zinc/02/63/07/923026307.db2.gz INFZAIMHPODGBA-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001192353851 923026325 /nfs/dbraw/zinc/02/63/25/923026325.db2.gz INFZAIMHPODGBA-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088036 937041837 /nfs/dbraw/zinc/04/18/37/937041837.db2.gz IIYSBNJOJNKUNH-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088036 937041840 /nfs/dbraw/zinc/04/18/40/937041840.db2.gz IIYSBNJOJNKUNH-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001086102339 926705407 /nfs/dbraw/zinc/70/54/07/926705407.db2.gz RXUUHVODYMMSBQ-OWCLPIDISA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086186317 926805141 /nfs/dbraw/zinc/80/51/41/926805141.db2.gz RISYJHIGLTZXIN-XBXGTLAGSA-N 1 3 299.846 1.565 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108786298 928633268 /nfs/dbraw/zinc/63/32/68/928633268.db2.gz WPOQGTKIGZPSSD-XHSDSOJGSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108784029 928635330 /nfs/dbraw/zinc/63/53/30/928635330.db2.gz HVTDTKWICOZGSP-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550400 929326842 /nfs/dbraw/zinc/32/68/42/929326842.db2.gz HTCKUZIGPKEIRG-AVGNSLFASA-N 1 3 285.819 1.175 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086550400 929326852 /nfs/dbraw/zinc/32/68/52/929326852.db2.gz HTCKUZIGPKEIRG-AVGNSLFASA-N 1 3 285.819 1.175 20 30 CDEDHO CC#CCNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336884 930162101 /nfs/dbraw/zinc/16/21/01/930162101.db2.gz NQEZIARUVBEYDD-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO C#CCC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135436944 930204345 /nfs/dbraw/zinc/20/43/45/930204345.db2.gz HEMCYQVUHQQVMP-UHFFFAOYSA-N 1 3 267.417 1.228 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367267 932881421 /nfs/dbraw/zinc/88/14/21/932881421.db2.gz LBCZJWXHUPPTSD-CVEARBPZSA-N 1 3 295.471 1.861 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226683 937651382 /nfs/dbraw/zinc/65/13/82/937651382.db2.gz NEYPHUCSOGTLQW-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226683 937651384 /nfs/dbraw/zinc/65/13/84/937651384.db2.gz NEYPHUCSOGTLQW-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001155791862 937674397 /nfs/dbraw/zinc/67/43/97/937674397.db2.gz ZDUOPRZPNIUYHN-KRWDZBQOSA-N 1 3 299.418 1.228 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC[C@H]1CCCCO1 ZINC000305802862 935217894 /nfs/dbraw/zinc/21/78/94/935217894.db2.gz FEXYIAWMOLOZCZ-LSDHHAIUSA-N 1 3 296.459 1.724 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037912 936102840 /nfs/dbraw/zinc/10/28/40/936102840.db2.gz BOLUOQRHIWFRLI-OWCLPIDISA-N 1 3 293.455 1.539 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049037912 936102842 /nfs/dbraw/zinc/10/28/42/936102842.db2.gz BOLUOQRHIWFRLI-OWCLPIDISA-N 1 3 293.455 1.539 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC001121900867 937888653 /nfs/dbraw/zinc/88/86/53/937888653.db2.gz KWOFVTRKZHPCJM-CYBMUJFWSA-N 1 3 253.390 1.272 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029148 938576080 /nfs/dbraw/zinc/57/60/80/938576080.db2.gz DASFZNYATUWKSF-KGLIPLIRSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029148 938576081 /nfs/dbraw/zinc/57/60/81/938576081.db2.gz DASFZNYATUWKSF-KGLIPLIRSA-N 1 3 299.846 1.709 20 30 CDEDHO C=CCN1CCC[C@H]1CNc1ncc2c(n1)CC[NH2+]C2 ZINC001160952846 938848686 /nfs/dbraw/zinc/84/86/86/938848686.db2.gz FGSLRNZRAMEJQT-ZDUSSCGKSA-N 1 3 273.384 1.185 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485044 939567185 /nfs/dbraw/zinc/56/71/85/939567185.db2.gz KLWAVTQQUHWXTF-OAHLLOKOSA-N 1 3 293.455 1.779 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627393 939620440 /nfs/dbraw/zinc/62/04/40/939620440.db2.gz UUFOFVTZXFENNR-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274229 940010375 /nfs/dbraw/zinc/01/03/75/940010375.db2.gz FDPXAEXFUCVZEE-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210476471 940693185 /nfs/dbraw/zinc/69/31/85/940693185.db2.gz ATNVCJKRPSCTCZ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210476471 940693189 /nfs/dbraw/zinc/69/31/89/940693189.db2.gz ATNVCJKRPSCTCZ-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218626794 941246809 /nfs/dbraw/zinc/24/68/09/941246809.db2.gz MBMHBBOPTZKSDL-AWEZNQCLSA-N 1 3 298.346 1.570 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221239921 941505644 /nfs/dbraw/zinc/50/56/44/941505644.db2.gz WWFKKCFWXVGDRL-SGMGOOAPSA-N 1 3 253.390 1.446 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472764 941679948 /nfs/dbraw/zinc/67/99/48/941679948.db2.gz VIBOAQKBKFCJPM-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224538631 941766276 /nfs/dbraw/zinc/76/62/76/941766276.db2.gz YMOYYBOUVJFQRE-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224535212 941766579 /nfs/dbraw/zinc/76/65/79/941766579.db2.gz DZBAXYVWQLBNJK-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001228065339 942264624 /nfs/dbraw/zinc/26/46/24/942264624.db2.gz OOEJGTDISSNUCF-UHFFFAOYSA-N 1 3 279.428 1.321 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(C#N)ccn1 ZINC001232479304 943293190 /nfs/dbraw/zinc/29/31/90/943293190.db2.gz STPCHNZNCDYWIE-DLBZAZTESA-N 1 3 299.422 1.163 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(C#N)ccn1 ZINC001232479304 943293201 /nfs/dbraw/zinc/29/32/01/943293201.db2.gz STPCHNZNCDYWIE-DLBZAZTESA-N 1 3 299.422 1.163 20 30 CDEDHO CCCCCCCNC(=S)NCCC[NH2+]CCCN ZINC001239396527 945440196 /nfs/dbraw/zinc/44/01/96/945440196.db2.gz IKGSSMUNIBWCGQ-UHFFFAOYSA-N 1 3 288.505 1.749 20 30 CDEDHO N#C[C@@H]1C[C@H](N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246604011 948337401 /nfs/dbraw/zinc/33/74/01/948337401.db2.gz MPHBPRYSFPZWEA-GVDBMIGSSA-N 1 3 290.455 1.876 20 30 CDEDHO C=CCOC[C@@]12CCCO[C@H]1CCN(C1CC[NH2+]CC1)C2 ZINC001246724652 948419305 /nfs/dbraw/zinc/41/93/05/948419305.db2.gz WEMNOBWZNCWDFD-IRXDYDNUSA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCNCC1)C2 ZINC001246724652 948419309 /nfs/dbraw/zinc/41/93/09/948419309.db2.gz WEMNOBWZNCWDFD-IRXDYDNUSA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCNCC1)C2 ZINC001246724652 948419312 /nfs/dbraw/zinc/41/93/12/948419312.db2.gz WEMNOBWZNCWDFD-IRXDYDNUSA-N 1 3 294.439 1.812 20 30 CDEDHO C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252465315 951306918 /nfs/dbraw/zinc/30/69/18/951306918.db2.gz DRJULSOBDNAJOX-SJORKVTESA-N 1 3 296.455 1.890 20 30 CDEDHO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252465315 951306931 /nfs/dbraw/zinc/30/69/31/951306931.db2.gz DRJULSOBDNAJOX-SJORKVTESA-N 1 3 296.455 1.890 20 30 CDEDHO C=CCOC[C@H](O)CNC1CC[NH+](CCC)CC1 ZINC001252481378 951341980 /nfs/dbraw/zinc/34/19/80/951341980.db2.gz BYJNPZAEZJVWTE-CQSZACIVSA-N 1 3 256.390 1.014 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001368727774 959082520 /nfs/dbraw/zinc/08/25/20/959082520.db2.gz CUFIFKKWISDADE-NWDGAFQWSA-N 1 3 273.808 1.318 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001340471194 962952883 /nfs/dbraw/zinc/95/28/83/962952883.db2.gz IYOVVSUDLAGVKT-AVGNSLFASA-N 1 3 253.390 1.113 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001340825611 963145090 /nfs/dbraw/zinc/14/50/90/963145090.db2.gz LDYCKMHVBQGQJY-ARFHVFGLSA-N 1 3 287.407 1.542 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC001357325726 969570109 /nfs/dbraw/zinc/57/01/09/969570109.db2.gz BRCWXSMCQXNBGV-CQSZACIVSA-N 1 3 269.433 1.905 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001522325278 970421010 /nfs/dbraw/zinc/42/10/10/970421010.db2.gz CARCAQKSFBBYFD-GXTWGEPZSA-N 1 3 286.379 1.487 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)C[NH+]1CCCCC1 ZINC000594441569 342907460 /nfs/dbraw/zinc/90/74/60/342907460.db2.gz STQMRXDMRZDQEY-CABCVRRESA-N 1 3 294.443 1.636 20 30 CDEDHO CN1CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000442877704 362099125 /nfs/dbraw/zinc/09/91/25/362099125.db2.gz ROKYXLUTICKIQY-ZIAGYGMSSA-N 1 3 264.417 1.294 20 30 CDEDHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000442774975 362089676 /nfs/dbraw/zinc/08/96/76/362089676.db2.gz FQBYOFUJBDXUQD-ZBFHGGJFSA-N 1 3 290.455 1.827 20 30 CDEDHO COCCNC(=[NH2+])NCC[C@H](C)N(C)Cc1ccccc1 ZINC000081780960 342373779 /nfs/dbraw/zinc/37/37/79/342373779.db2.gz IPYVPSMYSOUMFY-AWEZNQCLSA-N 1 3 292.427 1.448 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000598728015 343886897 /nfs/dbraw/zinc/88/68/97/343886897.db2.gz MIJBSYYMSBLNHQ-OAHLLOKOSA-N 1 3 279.428 1.894 20 30 CDEDHO C#CCNC(N[C@@H]1CCN(C2CCCC2)C1)=[NH+]CC ZINC000083513884 347122419 /nfs/dbraw/zinc/12/24/19/347122419.db2.gz AVQBNBZNWNZIJW-CYBMUJFWSA-N 1 3 262.401 1.192 20 30 CDEDHO CN(C)CCOc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000264104614 362968616 /nfs/dbraw/zinc/96/86/16/362968616.db2.gz NMSGLNFJZIOKOR-UHFFFAOYSA-N 1 3 276.384 1.194 20 30 CDEDHO C[C@H](CCC#N)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565042944 360647679 /nfs/dbraw/zinc/64/76/79/360647679.db2.gz ACBSLXTVYPSMMH-OAGGEKHMSA-N 1 3 278.444 1.636 20 30 CDEDHO C=C(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000156664140 371081055 /nfs/dbraw/zinc/08/10/55/371081055.db2.gz QGMRFMUXYDNPFX-UHFFFAOYSA-N 1 3 294.443 1.420 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C ZINC000104156133 390484703 /nfs/dbraw/zinc/48/47/03/390484703.db2.gz GYURYDBMDQZTBW-HNNXBMFYSA-N 1 3 274.412 1.884 20 30 CDEDHO C[NH+]=C(NCc1cccn1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261966497 391743722 /nfs/dbraw/zinc/74/37/22/391743722.db2.gz LOLDSJXSLNCQOO-UKRRQHHQSA-N 1 3 291.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000171764657 335078013 /nfs/dbraw/zinc/07/80/13/335078013.db2.gz IDKMCXUSVCTIBO-AWEZNQCLSA-N 1 3 294.443 1.278 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000171764657 335078014 /nfs/dbraw/zinc/07/80/14/335078014.db2.gz IDKMCXUSVCTIBO-AWEZNQCLSA-N 1 3 294.443 1.278 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000350363848 227002732 /nfs/dbraw/zinc/00/27/32/227002732.db2.gz OSZSQNYMGQXSLD-GFCCVEGCSA-N 1 3 263.385 1.917 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449348292 260434026 /nfs/dbraw/zinc/43/40/26/260434026.db2.gz SPVYDIHGFYCOOP-ZFWWWQNUSA-N 1 3 279.428 1.661 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000356999375 266228850 /nfs/dbraw/zinc/22/88/50/266228850.db2.gz BPUHODCCTXOJHU-GJZGRUSLSA-N 1 3 294.443 1.553 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N(C)CCC#N)C[C@@H]1C ZINC000356999375 266228853 /nfs/dbraw/zinc/22/88/53/266228853.db2.gz BPUHODCCTXOJHU-GJZGRUSLSA-N 1 3 294.443 1.553 20 30 CDEDHO COc1ccccc1CNC(=[NH2+])NCC(C)(C)CN(C)C ZINC000170905388 327749304 /nfs/dbraw/zinc/74/93/04/327749304.db2.gz IQCDQGBTIBQMOL-UHFFFAOYSA-N 1 3 292.427 1.687 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1 ZINC000262163664 330001080 /nfs/dbraw/zinc/00/10/80/330001080.db2.gz BLMLVDMINVTLIV-STQMWFEESA-N 1 3 284.473 1.661 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262762807 330030010 /nfs/dbraw/zinc/03/00/10/330030010.db2.gz FZYDYZXHMVAFHK-OLZOCXBDSA-N 1 3 266.389 1.068 20 30 CDEDHO C=CCN1CCC(N[C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856118 330157915 /nfs/dbraw/zinc/15/79/15/330157915.db2.gz DPGATLTZLURZPX-CABCVRRESA-N 1 3 251.418 1.757 20 30 CDEDHO C#CCNC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000491119557 332151595 /nfs/dbraw/zinc/15/15/95/332151595.db2.gz IXEOWYXGUYJXQI-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000491119557 332151596 /nfs/dbraw/zinc/15/15/96/332151596.db2.gz IXEOWYXGUYJXQI-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000491119557 332151597 /nfs/dbraw/zinc/15/15/97/332151597.db2.gz IXEOWYXGUYJXQI-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000174648248 333004801 /nfs/dbraw/zinc/00/48/01/333004801.db2.gz PXRBOVRGOUCZSF-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCC)CC1 ZINC000174648248 333004802 /nfs/dbraw/zinc/00/48/02/333004802.db2.gz PXRBOVRGOUCZSF-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981272907 612971481 /nfs/dbraw/zinc/97/14/81/612971481.db2.gz SYHFKIWIIBMWEE-LSDHHAIUSA-N 1 3 291.439 1.511 20 30 CDEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841592 612999821 /nfs/dbraw/zinc/99/98/21/612999821.db2.gz GZOWGBCUVDNMDP-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC000981841592 612999822 /nfs/dbraw/zinc/99/98/22/612999822.db2.gz GZOWGBCUVDNMDP-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326551 613302113 /nfs/dbraw/zinc/30/21/13/613302113.db2.gz UMLJDPGITABAIH-KKUMJFAQSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970326551 613302115 /nfs/dbraw/zinc/30/21/15/613302115.db2.gz UMLJDPGITABAIH-KKUMJFAQSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969652383 613302268 /nfs/dbraw/zinc/30/22/68/613302268.db2.gz FCZVEJOBFIMERK-GOEBONIOSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969652383 613302270 /nfs/dbraw/zinc/30/22/70/613302270.db2.gz FCZVEJOBFIMERK-GOEBONIOSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174683156 1164301014 /nfs/dbraw/zinc/30/10/14/1164301014.db2.gz PDTMIAJWZINOLC-GFCCVEGCSA-N 1 3 278.400 1.711 20 30 CDEDHO C#CCC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001568466501 1169301911 /nfs/dbraw/zinc/30/19/11/1169301911.db2.gz AEQNWMFOTUXJTI-KGLIPLIRSA-N 1 3 267.417 1.080 20 30 CDEDHO C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001701052784 1177257517 /nfs/dbraw/zinc/25/75/17/1177257517.db2.gz PJJITBMWHKDQSP-OAHLLOKOSA-N 1 3 277.412 1.098 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001701052784 1177257524 /nfs/dbraw/zinc/25/75/24/1177257524.db2.gz PJJITBMWHKDQSP-OAHLLOKOSA-N 1 3 277.412 1.098 20 30 CDEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001734304284 1183721556 /nfs/dbraw/zinc/72/15/56/1183721556.db2.gz GMDCVEULZYXOHH-JKSUJKDBSA-N 1 3 293.455 1.423 20 30 CDEDHO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001753632178 1185278150 /nfs/dbraw/zinc/27/81/50/1185278150.db2.gz ITCJKGVNICDUKB-HUUCEWRRSA-N 1 3 279.428 1.226 20 30 CDEDHO C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754286041 1185551970 /nfs/dbraw/zinc/55/19/70/1185551970.db2.gz VNUXRXLKHOINEO-GJZGRUSLSA-N 1 3 279.428 1.367 20 30 CDEDHO C#CC[NH2+]C1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001755075127 1185807986 /nfs/dbraw/zinc/80/79/86/1185807986.db2.gz ZCPHCXMZVRUQDM-UHFFFAOYSA-N 1 3 279.428 1.321 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001755388929 1185938653 /nfs/dbraw/zinc/93/86/53/1185938653.db2.gz MAVPUDRLEXAWSN-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001755388929 1185938655 /nfs/dbraw/zinc/93/86/55/1185938655.db2.gz MAVPUDRLEXAWSN-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996354967 823741753 /nfs/dbraw/zinc/74/17/53/823741753.db2.gz KKSJFILGCQKESS-ZDUSSCGKSA-N 1 3 276.384 1.355 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766997 824019413 /nfs/dbraw/zinc/01/94/13/824019413.db2.gz WUCXGBXWCYPZJH-PNBKFKSVSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766997 824019417 /nfs/dbraw/zinc/01/94/17/824019417.db2.gz WUCXGBXWCYPZJH-PNBKFKSVSA-N 1 3 289.423 1.073 20 30 CDEDHO CN1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246079432 824476129 /nfs/dbraw/zinc/47/61/29/824476129.db2.gz TVMZHYQHUPJTEJ-NVXWUHKLSA-N 1 3 287.407 1.865 20 30 CDEDHO CN1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246079432 824476135 /nfs/dbraw/zinc/47/61/35/824476135.db2.gz TVMZHYQHUPJTEJ-NVXWUHKLSA-N 1 3 287.407 1.865 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606936 824822870 /nfs/dbraw/zinc/82/28/70/824822870.db2.gz XCOJEDYGPVCVBB-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1 ZINC000999404435 824881467 /nfs/dbraw/zinc/88/14/67/824881467.db2.gz WLYDUPUBFDTZDN-UHFFFAOYSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034012227 824917088 /nfs/dbraw/zinc/91/70/88/824917088.db2.gz CPFVVAUDYAXZRV-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCSCC1)N1CCC[C@@H](C)C1 ZINC000261990277 825325201 /nfs/dbraw/zinc/32/52/01/825325201.db2.gz LQIWCIHUWSAHRW-CHWSQXEVSA-N 1 3 284.473 1.470 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001073077326 828779924 /nfs/dbraw/zinc/77/99/24/828779924.db2.gz SDTYRUVOGCWHNY-UHFFFAOYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001073077326 828779945 /nfs/dbraw/zinc/77/99/45/828779945.db2.gz SDTYRUVOGCWHNY-UHFFFAOYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795972 825946834 /nfs/dbraw/zinc/94/68/34/825946834.db2.gz FLYCOTRUDVATRY-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C)c1 ZINC000303890353 826811825 /nfs/dbraw/zinc/81/18/25/826811825.db2.gz QANMUNMCTIXFAC-INIZCTEOSA-N 1 3 288.439 1.926 20 30 CDEDHO C[C@H]1CCC[C@](CNC(=[NH2+])N2CCOCC2)(N(C)C)C1 ZINC000303893099 826893111 /nfs/dbraw/zinc/89/31/11/826893111.db2.gz RQPJTLQBEPGFJF-ZFWWWQNUSA-N 1 3 282.432 1.144 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033070213 828081309 /nfs/dbraw/zinc/08/13/09/828081309.db2.gz PEPKJVKGDGLVTE-CVEARBPZSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033070213 828081318 /nfs/dbraw/zinc/08/13/18/828081318.db2.gz PEPKJVKGDGLVTE-CVEARBPZSA-N 1 3 293.455 1.968 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106313052 913851183 /nfs/dbraw/zinc/85/11/83/913851183.db2.gz UOOYFWUGUJCKIA-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127326744 913872827 /nfs/dbraw/zinc/87/28/27/913872827.db2.gz AUXCVNCQWNOTRV-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203351352 913977510 /nfs/dbraw/zinc/97/75/10/913977510.db2.gz VBHYDEBJJRMWCV-STQMWFEESA-N 1 3 299.846 1.708 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176278765 914012762 /nfs/dbraw/zinc/01/27/62/914012762.db2.gz IYTZSBAPBIAAIX-AWEZNQCLSA-N 1 3 267.417 1.226 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350898 914079602 /nfs/dbraw/zinc/07/96/02/914079602.db2.gz MULJUYUUIZWVTM-CYBMUJFWSA-N 1 3 290.411 1.549 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176352143 914084844 /nfs/dbraw/zinc/08/48/44/914084844.db2.gz ZQQRSSVYEDFGDJ-LBPRGKRZSA-N 1 3 278.400 1.711 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391155 921455881 /nfs/dbraw/zinc/45/58/81/921455881.db2.gz WNGMEHRRHPEADB-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189391155 921455885 /nfs/dbraw/zinc/45/58/85/921455885.db2.gz WNGMEHRRHPEADB-CABCVRRESA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178359320 915395022 /nfs/dbraw/zinc/39/50/22/915395022.db2.gz GAGGNGYMXHKFQR-IHRRRGAJSA-N 1 3 265.401 1.236 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288736 918421472 /nfs/dbraw/zinc/42/14/72/918421472.db2.gz MLLRDZRPTIWLDP-CYBMUJFWSA-N 1 3 265.401 1.237 20 30 CDEDHO N#CC(Cc1ccc(O)cc1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001183615327 918591686 /nfs/dbraw/zinc/59/16/86/918591686.db2.gz CPYNANYBEHHQFR-CYBMUJFWSA-N 1 3 296.330 1.155 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185206797 919477416 /nfs/dbraw/zinc/47/74/16/919477416.db2.gz VYMOWCSBNOWCCA-STQMWFEESA-N 1 3 276.384 1.212 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185356947 919543244 /nfs/dbraw/zinc/54/32/44/919543244.db2.gz BDJGQXJVIDOILA-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644999 922119588 /nfs/dbraw/zinc/11/95/88/922119588.db2.gz PHUIEHRXMXZJHK-CQSZACIVSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644999 922119597 /nfs/dbraw/zinc/11/95/97/922119597.db2.gz PHUIEHRXMXZJHK-CQSZACIVSA-N 1 3 277.412 1.027 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293385 924166608 /nfs/dbraw/zinc/16/66/08/924166608.db2.gz GZBLSXNLNSSERK-AWEZNQCLSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293385 924166613 /nfs/dbraw/zinc/16/66/13/924166613.db2.gz GZBLSXNLNSSERK-AWEZNQCLSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215256 937045548 /nfs/dbraw/zinc/04/55/48/937045548.db2.gz NIHWFPKWNWMWAN-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215256 937045550 /nfs/dbraw/zinc/04/55/50/937045550.db2.gz NIHWFPKWNWMWAN-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=N)c1ccc(F)cn1)C2 ZINC001169098598 927696068 /nfs/dbraw/zinc/69/60/68/927696068.db2.gz JMEZHTNUAIYQKD-ZSBIGDGJSA-N 1 3 262.332 1.551 20 30 CDEDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=N)c1ccc(F)cn1)C2 ZINC001169098598 927696075 /nfs/dbraw/zinc/69/60/75/927696075.db2.gz JMEZHTNUAIYQKD-ZSBIGDGJSA-N 1 3 262.332 1.551 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693388 928323941 /nfs/dbraw/zinc/32/39/41/928323941.db2.gz KTWJBLJFLZOQDL-WCVJEAGWSA-N 1 3 291.439 1.317 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CN(C)CCC)C1 ZINC001150626002 937241208 /nfs/dbraw/zinc/24/12/08/937241208.db2.gz RIYBGUDDUBMSEI-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)CN(C)CCC)C1 ZINC001150626002 937241210 /nfs/dbraw/zinc/24/12/10/937241210.db2.gz RIYBGUDDUBMSEI-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369881 929718007 /nfs/dbraw/zinc/71/80/07/929718007.db2.gz UFJLFRHPWNGNDD-LSDHHAIUSA-N 1 3 293.455 1.757 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601786 937399665 /nfs/dbraw/zinc/39/96/65/937399665.db2.gz REVLZUYSKDLJAQ-UHFFFAOYSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979924 930580250 /nfs/dbraw/zinc/58/02/50/930580250.db2.gz KGSCKSWCUJNAEJ-LSDHHAIUSA-N 1 3 299.459 1.404 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135981016 930581308 /nfs/dbraw/zinc/58/13/08/930581308.db2.gz WILXXYBGHLPICY-UONOGXRCSA-N 1 3 267.417 1.224 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036880 930614659 /nfs/dbraw/zinc/61/46/59/930614659.db2.gz ZMOKDDRQNCZXKV-VXGBXAGGSA-N 1 3 276.384 1.157 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313441 937438744 /nfs/dbraw/zinc/43/87/44/937438744.db2.gz QXLLEBDSAZZCSM-CABCVRRESA-N 1 3 279.428 1.319 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313441 937438746 /nfs/dbraw/zinc/43/87/46/937438746.db2.gz QXLLEBDSAZZCSM-CABCVRRESA-N 1 3 279.428 1.319 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146599338 932270495 /nfs/dbraw/zinc/27/04/95/932270495.db2.gz AXGYEFZCRAVINM-ZIAGYGMSSA-N 1 3 267.417 1.223 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092022126 932911941 /nfs/dbraw/zinc/91/19/41/932911941.db2.gz ONDPIOVFRIFVKE-VYDXJSESSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092022126 932911946 /nfs/dbraw/zinc/91/19/46/932911946.db2.gz ONDPIOVFRIFVKE-VYDXJSESSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001121995431 937897834 /nfs/dbraw/zinc/89/78/34/937897834.db2.gz UMGGQKFLPMABGE-RFGFWPKPSA-N 1 3 267.417 1.502 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2[nH]c(C#N)cc2n1 ZINC001163129366 939207412 /nfs/dbraw/zinc/20/74/12/939207412.db2.gz VFHQZAMYIDYBSJ-UHFFFAOYSA-N 1 3 299.382 1.713 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165718352 939575751 /nfs/dbraw/zinc/57/57/51/939575751.db2.gz JGMBVNJPIYJBTB-CQSZACIVSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203640701 939699283 /nfs/dbraw/zinc/69/92/83/939699283.db2.gz HJIVEXONDAJDKO-KGLIPLIRSA-N 1 3 279.428 1.531 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793680 939705019 /nfs/dbraw/zinc/70/50/19/939705019.db2.gz SSNWIXXDMJXIRV-GJZGRUSLSA-N 1 3 291.439 1.367 20 30 CDEDHO N#Cc1ccn2ncc(CN3CCC(C[NH3+])CC3)c2c1 ZINC001205057992 939818893 /nfs/dbraw/zinc/81/88/93/939818893.db2.gz BUVJYUKNYMBBDV-UHFFFAOYSA-N 1 3 269.352 1.377 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207750538 940239872 /nfs/dbraw/zinc/23/98/72/940239872.db2.gz SPMWSUZVNCSCKE-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207750538 940239874 /nfs/dbraw/zinc/23/98/74/940239874.db2.gz SPMWSUZVNCSCKE-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208333913 940320178 /nfs/dbraw/zinc/32/01/78/940320178.db2.gz AGVTZWOIALIYET-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)NC1=CC(=O)CC(C)(C)C1 ZINC001220413245 941445708 /nfs/dbraw/zinc/44/57/08/941445708.db2.gz CHFACKJVGLPZAG-AWEZNQCLSA-N 1 3 295.427 1.435 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001220868339 941478579 /nfs/dbraw/zinc/47/85/79/941478579.db2.gz GOEFHLYUSMPPRO-RDBSUJKOSA-N 1 3 265.401 1.141 20 30 CDEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221292461 941513458 /nfs/dbraw/zinc/51/34/58/941513458.db2.gz MDVYZNLZHUSLBR-GOEBONIOSA-N 1 3 296.459 1.927 20 30 CDEDHO Cc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cc1C#N ZINC001222090652 941562761 /nfs/dbraw/zinc/56/27/61/941562761.db2.gz FYJSARFLNKUPND-UHFFFAOYSA-N 1 3 284.407 1.394 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001224583302 941773235 /nfs/dbraw/zinc/77/32/35/941773235.db2.gz PRSJSFOFVIQOGE-HNNXBMFYSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCOCC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001229253883 942440883 /nfs/dbraw/zinc/44/08/83/942440883.db2.gz MDUZVVWDRKRGCV-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1C#N)N(C)C ZINC001262565777 946715612 /nfs/dbraw/zinc/71/56/12/946715612.db2.gz WEFQFJVHPYEZLR-HIFRSBDPSA-N 1 3 291.395 1.228 20 30 CDEDHO C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252622704 951515386 /nfs/dbraw/zinc/51/53/86/951515386.db2.gz YXIOMYUFNOHLRY-BZUAXINKSA-N 1 3 282.428 1.547 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001340350578 962903372 /nfs/dbraw/zinc/90/33/72/962903372.db2.gz XYUKSGDAIYSIKR-ZIAGYGMSSA-N 1 3 273.380 1.587 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001358025219 969680439 /nfs/dbraw/zinc/68/04/39/969680439.db2.gz YCMJXJRMBCVZTF-CVEARBPZSA-N 1 3 287.407 1.501 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](CC)N(C)C ZINC001418426026 973815577 /nfs/dbraw/zinc/81/55/77/973815577.db2.gz AQZCFJRNSUHLRN-NEPJUHHUSA-N 1 3 275.824 1.564 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001388684861 975551801 /nfs/dbraw/zinc/55/18/01/975551801.db2.gz SYQILFRDBOLWHC-BETUJISGSA-N 1 3 287.835 1.565 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265582 1163218081 /nfs/dbraw/zinc/21/80/81/1163218081.db2.gz PBRIMPZGLWRRDG-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135366 1163579810 /nfs/dbraw/zinc/57/98/10/1163579810.db2.gz PZZWYKKMRDSVJR-OLZOCXBDSA-N 1 3 276.384 1.212 20 30 CDEDHO CCC(CC)(C[NH3+])CNCCNc1ncccc1C#N ZINC001577051864 1171592310 /nfs/dbraw/zinc/59/23/10/1171592310.db2.gz CPAGNRIDVKEMAV-UHFFFAOYSA-N 1 3 275.400 1.720 20 30 CDEDHO CCC(CC)(CN)C[NH2+]CCNc1ncccc1C#N ZINC001577051864 1171592314 /nfs/dbraw/zinc/59/23/14/1171592314.db2.gz CPAGNRIDVKEMAV-UHFFFAOYSA-N 1 3 275.400 1.720 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000591667753 342641232 /nfs/dbraw/zinc/64/12/32/342641232.db2.gz VSHTWKZZPCNQFO-HOTGVXAUSA-N 1 3 293.455 1.753 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000591667753 342641233 /nfs/dbraw/zinc/64/12/33/342641233.db2.gz VSHTWKZZPCNQFO-HOTGVXAUSA-N 1 3 293.455 1.753 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC000593319907 342788144 /nfs/dbraw/zinc/78/81/44/342788144.db2.gz FZINKNQOBDJZMB-UHFFFAOYSA-N 1 3 298.434 1.864 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442891402 362102848 /nfs/dbraw/zinc/10/28/48/362102848.db2.gz ROBVYFNISMTUBJ-AWEZNQCLSA-N 1 3 253.434 1.957 20 30 CDEDHO CCC[NH+]1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598704813 343877196 /nfs/dbraw/zinc/87/71/96/343877196.db2.gz ULSUJTYJNFTJGY-AWEZNQCLSA-N 1 3 267.417 1.751 20 30 CDEDHO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000602800713 344590871 /nfs/dbraw/zinc/59/08/71/344590871.db2.gz RVJRWXZLTLTWPZ-JKSUJKDBSA-N 1 3 290.455 1.638 20 30 CDEDHO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000602800713 344590873 /nfs/dbraw/zinc/59/08/73/344590873.db2.gz RVJRWXZLTLTWPZ-JKSUJKDBSA-N 1 3 290.455 1.638 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[NH+](CC)CC)CC1 ZINC000106327417 357235807 /nfs/dbraw/zinc/23/58/07/357235807.db2.gz KMCDCFJQABWRDU-UHFFFAOYSA-N 1 3 296.459 1.668 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000449324622 358349036 /nfs/dbraw/zinc/34/90/36/358349036.db2.gz GJQJCOCEOJEOID-OAGGEKHMSA-N 1 3 293.455 1.657 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000176967290 366420032 /nfs/dbraw/zinc/42/00/32/366420032.db2.gz BAACUQUQHOCLIO-ZDUSSCGKSA-N 1 3 293.436 1.946 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000176967290 366420041 /nfs/dbraw/zinc/42/00/41/366420041.db2.gz BAACUQUQHOCLIO-ZDUSSCGKSA-N 1 3 293.436 1.946 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000110650333 365113412 /nfs/dbraw/zinc/11/34/12/365113412.db2.gz ZJGOCEIVLGFAOX-CYBMUJFWSA-N 1 3 265.401 1.246 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CCN(CC=C)CC2)CC1 ZINC000171714444 372215834 /nfs/dbraw/zinc/21/58/34/372215834.db2.gz ZCRMOIBVZQJAKA-UHFFFAOYSA-N 1 3 289.423 1.098 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000171714444 372215838 /nfs/dbraw/zinc/21/58/38/372215838.db2.gz ZCRMOIBVZQJAKA-UHFFFAOYSA-N 1 3 289.423 1.098 20 30 CDEDHO CCCCCCNC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000303896307 391139009 /nfs/dbraw/zinc/13/90/09/391139009.db2.gz UJMMEBKGXMJLKJ-UHFFFAOYSA-N 1 3 283.464 1.109 20 30 CDEDHO C[NH+]=C(NCc1ccoc1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000179202297 391198706 /nfs/dbraw/zinc/19/87/06/391198706.db2.gz SZAWOBQDFZBKJY-OCCSQVGLSA-N 1 3 278.400 1.673 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976128 391372608 /nfs/dbraw/zinc/37/26/08/391372608.db2.gz KKHOCVCZNHQUJP-SOUVJXGZSA-N 1 3 279.428 1.389 20 30 CDEDHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1C#N ZINC000291817829 533665542 /nfs/dbraw/zinc/66/55/42/533665542.db2.gz YYZKZZFHGUHVLJ-GFCCVEGCSA-N 1 3 261.369 1.854 20 30 CDEDHO C#CCNC(=O)CCNC[C@H](C1CCCCC1)[NH+](C)C ZINC000491414202 392558437 /nfs/dbraw/zinc/55/84/37/392558437.db2.gz BTVJDRWDFWPTRA-OAHLLOKOSA-N 1 3 279.428 1.226 20 30 CDEDHO [NH2+]=C(NCC1CCC1)NCC1(N2CCCC2)CCOCC1 ZINC000262524287 330019284 /nfs/dbraw/zinc/01/92/84/330019284.db2.gz JVJBTQRIQPBLEL-UHFFFAOYSA-N 1 3 294.443 1.336 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC2(N(C)C)CCCCCC2)N1 ZINC000262672423 330025989 /nfs/dbraw/zinc/02/59/89/330025989.db2.gz RRPGFNFXSRQSBU-LBPRGKRZSA-N 1 3 252.406 1.578 20 30 CDEDHO C=CCN(CC=C)[C@H](CN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422825749 330156478 /nfs/dbraw/zinc/15/64/78/330156478.db2.gz BAKFWAIADPBAOI-GOEBONIOSA-N 1 3 265.445 1.883 20 30 CDEDHO C=C(C)CN1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422981198 330162428 /nfs/dbraw/zinc/16/24/28/330162428.db2.gz SFKRWVABJAXOFQ-ZFWWWQNUSA-N 1 3 251.418 1.757 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C(C)C ZINC000423347326 330192648 /nfs/dbraw/zinc/19/26/48/330192648.db2.gz RDBDDSCMITTXFW-INMHGKMJSA-N 1 3 291.439 1.553 20 30 CDEDHO C#CCNC(=O)CCNCc1ccc(CC[NH+](C)C)cc1 ZINC000491664279 332272930 /nfs/dbraw/zinc/27/29/30/332272930.db2.gz SHPNPRNOJCEJHW-UHFFFAOYSA-N 1 3 287.407 1.020 20 30 CDEDHO C#CC[N@H+](C)CCCNC[C@H](O)c1cc(F)ccc1F ZINC000380818682 336033000 /nfs/dbraw/zinc/03/30/00/336033000.db2.gz FERVPJKWUMOHFO-HNNXBMFYSA-N 1 3 282.334 1.543 20 30 CDEDHO C#CC[N@@H+](C)CCCNC[C@H](O)c1cc(F)ccc1F ZINC000380818682 336033001 /nfs/dbraw/zinc/03/30/01/336033001.db2.gz FERVPJKWUMOHFO-HNNXBMFYSA-N 1 3 282.334 1.543 20 30 CDEDHO C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001753811601 1159913281 /nfs/dbraw/zinc/91/32/81/1159913281.db2.gz KVOYMNRCXWVDJV-ZFWWWQNUSA-N 1 3 288.395 1.192 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417545880 482595323 /nfs/dbraw/zinc/59/53/23/482595323.db2.gz YLJQVIGDXYYNME-HIFRSBDPSA-N 1 3 294.443 1.596 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369469 613002549 /nfs/dbraw/zinc/00/25/49/613002549.db2.gz MLPGOYAUAOEPQV-INIZCTEOSA-N 1 3 291.439 1.418 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369469 613002550 /nfs/dbraw/zinc/00/25/50/613002550.db2.gz MLPGOYAUAOEPQV-INIZCTEOSA-N 1 3 291.439 1.418 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000969955714 613348321 /nfs/dbraw/zinc/34/83/21/613348321.db2.gz RSLQGUXOPBVHJT-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981283427 613493782 /nfs/dbraw/zinc/49/37/82/613493782.db2.gz WASFDRHSQJNOHR-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000981283427 613493783 /nfs/dbraw/zinc/49/37/83/613493783.db2.gz WASFDRHSQJNOHR-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC000981283427 613493784 /nfs/dbraw/zinc/49/37/84/613493784.db2.gz WASFDRHSQJNOHR-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2CCC)CC1 ZINC000981283427 613493787 /nfs/dbraw/zinc/49/37/87/613493787.db2.gz WASFDRHSQJNOHR-INIZCTEOSA-N 1 3 293.455 1.971 20 30 CDEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684588 613578506 /nfs/dbraw/zinc/57/85/06/613578506.db2.gz JBAFVGQUCJZYRL-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148498 613680732 /nfs/dbraw/zinc/68/07/32/613680732.db2.gz LBWVEXPTQTWHMH-AWEZNQCLSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148498 613680733 /nfs/dbraw/zinc/68/07/33/613680733.db2.gz LBWVEXPTQTWHMH-AWEZNQCLSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891522663 617459667 /nfs/dbraw/zinc/45/96/67/617459667.db2.gz TUAWGWMJRFHIAE-HOCLYGCPSA-N 1 3 292.427 1.221 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891521507 617459897 /nfs/dbraw/zinc/45/98/97/617459897.db2.gz HTZNSLYJPTVSOD-CQSZACIVSA-N 1 3 294.443 1.550 20 30 CDEDHO C=CCN1CCC(NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904658388 626329755 /nfs/dbraw/zinc/32/97/55/626329755.db2.gz HKILFKIKBUTHNT-UHFFFAOYSA-N 1 3 288.395 1.917 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735244 629456833 /nfs/dbraw/zinc/45/68/33/629456833.db2.gz VSSYTAOETRIESZ-OAHLLOKOSA-N 1 3 275.396 1.488 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000911765827 629482724 /nfs/dbraw/zinc/48/27/24/629482724.db2.gz ASUIWZOJKQFDNI-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO C#CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001755833405 1160619908 /nfs/dbraw/zinc/61/99/08/1160619908.db2.gz YTNJTXCAJSZDIM-AWEZNQCLSA-N 1 3 295.471 1.718 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135580 1163578909 /nfs/dbraw/zinc/57/89/09/1163578909.db2.gz UHKNGOWWGZFRHT-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274164 1163622088 /nfs/dbraw/zinc/62/20/88/1163622088.db2.gz CJJTZSZSZSVLRN-CABCVRRESA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155289189 1167116439 /nfs/dbraw/zinc/11/64/39/1167116439.db2.gz NMCAGTDKGHWZQJ-CABCVRRESA-N 1 3 299.459 1.356 20 30 CDEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155289189 1167116443 /nfs/dbraw/zinc/11/64/43/1167116443.db2.gz NMCAGTDKGHWZQJ-CABCVRRESA-N 1 3 299.459 1.356 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001342365071 1167486016 /nfs/dbraw/zinc/48/60/16/1167486016.db2.gz UTYURPLJXUHABB-AVGNSLFASA-N 1 3 253.390 1.304 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665080999 1172937552 /nfs/dbraw/zinc/93/75/52/1172937552.db2.gz SMGVRAZPWLLPEI-HNNXBMFYSA-N 1 3 279.428 1.322 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001699761843 1176612449 /nfs/dbraw/zinc/61/24/49/1176612449.db2.gz LMUKWYJPNNKDHR-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001752814955 1184920599 /nfs/dbraw/zinc/92/05/99/1184920599.db2.gz KRRACEGEUBYCIM-OAHLLOKOSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001752979869 1184982598 /nfs/dbraw/zinc/98/25/98/1184982598.db2.gz GYJSOGLHAXYSFV-KBPBESRZSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001753897596 1185386250 /nfs/dbraw/zinc/38/62/50/1185386250.db2.gz LTRMSSZQDXDRFV-ZIAGYGMSSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001755201373 1185853049 /nfs/dbraw/zinc/85/30/49/1185853049.db2.gz QUFBITPPBLSQJO-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001755201373 1185853055 /nfs/dbraw/zinc/85/30/55/1185853055.db2.gz QUFBITPPBLSQJO-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001755559427 1185991015 /nfs/dbraw/zinc/99/10/15/1185991015.db2.gz BQWYFFVRUYNIDH-OAHLLOKOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072939975 832101588 /nfs/dbraw/zinc/10/15/88/832101588.db2.gz HJQSCVQNLWKUEM-UHFFFAOYSA-N 1 3 277.412 1.049 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)nc1 ZINC000304763335 833322111 /nfs/dbraw/zinc/32/21/11/833322111.db2.gz WRLLYVUEUVFNJT-HNNXBMFYSA-N 1 3 289.427 1.321 20 30 CDEDHO C=CCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925627790 829013242 /nfs/dbraw/zinc/01/32/42/829013242.db2.gz FCOCCQWZJCMESA-MQVJKMGUSA-N 1 3 282.428 1.811 20 30 CDEDHO C=CCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925627790 829013260 /nfs/dbraw/zinc/01/32/60/829013260.db2.gz FCOCCQWZJCMESA-MQVJKMGUSA-N 1 3 282.428 1.811 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027419482 829044269 /nfs/dbraw/zinc/04/42/69/829044269.db2.gz RARCEDFSNYZZSZ-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027419482 829044276 /nfs/dbraw/zinc/04/42/76/829044276.db2.gz RARCEDFSNYZZSZ-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995804210 833373686 /nfs/dbraw/zinc/37/36/86/833373686.db2.gz RDKGBHIROFSOTR-HUUCEWRRSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001026148371 829870794 /nfs/dbraw/zinc/87/07/94/829870794.db2.gz CJBBUOASERWUTF-NPCUJANDSA-N 1 3 291.439 1.482 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001026148371 829870796 /nfs/dbraw/zinc/87/07/96/829870796.db2.gz CJBBUOASERWUTF-NPCUJANDSA-N 1 3 291.439 1.482 20 30 CDEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041684219 830023406 /nfs/dbraw/zinc/02/34/06/830023406.db2.gz BUIBCSHDUAABLL-RDJZCZTQSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041684219 830023409 /nfs/dbraw/zinc/02/34/09/830023409.db2.gz BUIBCSHDUAABLL-RDJZCZTQSA-N 1 3 291.439 1.274 20 30 CDEDHO CC[NH+](CC)CCO[C@H]1CCN(CCO[C@H](C)C#N)C1 ZINC000801925179 830041166 /nfs/dbraw/zinc/04/11/66/830041166.db2.gz ZVGUGTMVTCODGE-CABCVRRESA-N 1 3 283.416 1.348 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022712824 830070355 /nfs/dbraw/zinc/07/03/55/830070355.db2.gz APYPPARTUZCILN-ZENOOKHLSA-N 1 3 295.402 1.069 20 30 CDEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997864822 830309149 /nfs/dbraw/zinc/30/91/49/830309149.db2.gz ANSPUAMUXJMEGQ-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997864822 830309160 /nfs/dbraw/zinc/30/91/60/830309160.db2.gz ANSPUAMUXJMEGQ-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)CC ZINC000190534554 833681279 /nfs/dbraw/zinc/68/12/79/833681279.db2.gz DCGTXMOOVHSIFQ-LBPRGKRZSA-N 1 3 254.422 1.811 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014708400 832269095 /nfs/dbraw/zinc/26/90/95/832269095.db2.gz XEEDIGFDPLBTAL-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014708400 832269111 /nfs/dbraw/zinc/26/91/11/832269111.db2.gz XEEDIGFDPLBTAL-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994255180 832426627 /nfs/dbraw/zinc/42/66/27/832426627.db2.gz PSLPBSQJQFYGCW-CABCVRRESA-N 1 3 289.423 1.075 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001001001794 834021276 /nfs/dbraw/zinc/02/12/76/834021276.db2.gz LUPDSXOIDJJJSZ-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857842 834066353 /nfs/dbraw/zinc/06/63/53/834066353.db2.gz OHLGFYCYFHAHOV-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592464 834071158 /nfs/dbraw/zinc/07/11/58/834071158.db2.gz HKDJVNAAOJKOMW-CQSZACIVSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023761567 834192702 /nfs/dbraw/zinc/19/27/02/834192702.db2.gz CRUOQPYVYPPGRJ-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023761567 834192751 /nfs/dbraw/zinc/19/27/51/834192751.db2.gz CRUOQPYVYPPGRJ-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845912 834656146 /nfs/dbraw/zinc/65/61/46/834656146.db2.gz TUQOVLQYDCRRBJ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845912 834656154 /nfs/dbraw/zinc/65/61/54/834656154.db2.gz TUQOVLQYDCRRBJ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845912 834656159 /nfs/dbraw/zinc/65/61/59/834656159.db2.gz TUQOVLQYDCRRBJ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028845912 834656170 /nfs/dbraw/zinc/65/61/70/834656170.db2.gz TUQOVLQYDCRRBJ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001003007549 834685265 /nfs/dbraw/zinc/68/52/65/834685265.db2.gz JZKJFOOVDGGMSL-OAHLLOKOSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001003007549 834685287 /nfs/dbraw/zinc/68/52/87/834685287.db2.gz JZKJFOOVDGGMSL-OAHLLOKOSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001121914581 913231004 /nfs/dbraw/zinc/23/10/04/913231004.db2.gz XKFHVVMJCWNSOC-ZNMIVQPWSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001121914581 913231021 /nfs/dbraw/zinc/23/10/21/913231021.db2.gz XKFHVVMJCWNSOC-ZNMIVQPWSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174692488 913287503 /nfs/dbraw/zinc/28/75/03/913287503.db2.gz UOECZDPRCPCOCJ-UHFFFAOYSA-N 1 3 264.373 1.323 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175108540 913446757 /nfs/dbraw/zinc/44/67/57/913446757.db2.gz SIGQGNBBYVSHLE-JKSUJKDBSA-N 1 3 295.471 1.861 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753923 914258136 /nfs/dbraw/zinc/25/81/36/914258136.db2.gz OMCVUGFIXYESNI-AWEZNQCLSA-N 1 3 267.417 1.224 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCCSC ZINC000187050461 899819448 /nfs/dbraw/zinc/81/94/48/899819448.db2.gz TUOBWUFRQIVSSX-CYBMUJFWSA-N 1 3 286.489 1.908 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107450544 918389868 /nfs/dbraw/zinc/38/98/68/918389868.db2.gz LAXFGTUNHJWGOA-BFYDXBDKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107450544 918389886 /nfs/dbraw/zinc/38/98/86/918389886.db2.gz LAXFGTUNHJWGOA-BFYDXBDKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581859 918554040 /nfs/dbraw/zinc/55/40/40/918554040.db2.gz MYXPLZQOGUMRLI-RRFJBIMHSA-N 1 3 281.444 1.872 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578198 919197224 /nfs/dbraw/zinc/19/72/24/919197224.db2.gz SGHQJDJJXTYNLJ-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185731596 919733598 /nfs/dbraw/zinc/73/35/98/919733598.db2.gz VGGSVKFQJQUTMW-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185750961 919753018 /nfs/dbraw/zinc/75/30/18/919753018.db2.gz NDJYDHXZVXVQEO-CVEARBPZSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551108 923130678 /nfs/dbraw/zinc/13/06/78/923130678.db2.gz NUGJOUIIRWDBDJ-CQSZACIVSA-N 1 3 276.384 1.451 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192551108 923130689 /nfs/dbraw/zinc/13/06/89/923130689.db2.gz NUGJOUIIRWDBDJ-CQSZACIVSA-N 1 3 276.384 1.451 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782710 924996991 /nfs/dbraw/zinc/99/69/91/924996991.db2.gz MGZFAPMFDMESTN-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051814 937039167 /nfs/dbraw/zinc/03/91/67/937039167.db2.gz NZPJLTNINIAIKT-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051814 937039169 /nfs/dbraw/zinc/03/91/69/937039169.db2.gz NZPJLTNINIAIKT-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102378467 937055322 /nfs/dbraw/zinc/05/53/22/937055322.db2.gz XZUMEEWNJSLCGN-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102378467 937055324 /nfs/dbraw/zinc/05/53/24/937055324.db2.gz XZUMEEWNJSLCGN-KFWWJZLASA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085629599 926227651 /nfs/dbraw/zinc/22/76/51/926227651.db2.gz YBSHYPLWUNJAPI-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085629599 926227658 /nfs/dbraw/zinc/22/76/58/926227658.db2.gz YBSHYPLWUNJAPI-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086084771 926679622 /nfs/dbraw/zinc/67/96/22/926679622.db2.gz FXBUIVHSQPMDFH-ZNMIVQPWSA-N 1 3 279.428 1.530 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103444884 937141972 /nfs/dbraw/zinc/14/19/72/937141972.db2.gz NNVYADLBMOOMCQ-OAGGEKHMSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103444884 937141973 /nfs/dbraw/zinc/14/19/73/937141973.db2.gz NNVYADLBMOOMCQ-OAGGEKHMSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086497268 927216849 /nfs/dbraw/zinc/21/68/49/927216849.db2.gz FDBWZAUMBBHJMC-JYJNAYRXSA-N 1 3 291.439 1.367 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@H](C)CC)CC1 ZINC001152324391 937353637 /nfs/dbraw/zinc/35/36/37/937353637.db2.gz TXHLPGCBDWGCBL-CQSZACIVSA-N 1 3 279.428 1.084 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135437055 930204502 /nfs/dbraw/zinc/20/45/02/930204502.db2.gz LKLZGHASNDDLFO-UHFFFAOYSA-N 1 3 269.433 1.780 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823983 937474365 /nfs/dbraw/zinc/47/43/65/937474365.db2.gz GTTVNVOPTLKEMM-HIFRSBDPSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153823983 937474367 /nfs/dbraw/zinc/47/43/67/937474367.db2.gz GTTVNVOPTLKEMM-HIFRSBDPSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069625 937499793 /nfs/dbraw/zinc/49/97/93/937499793.db2.gz JIVLCTCYROWZAE-CQSZACIVSA-N 1 3 281.444 1.567 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069625 937499794 /nfs/dbraw/zinc/49/97/94/937499794.db2.gz JIVLCTCYROWZAE-CQSZACIVSA-N 1 3 281.444 1.567 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001091267465 932068290 /nfs/dbraw/zinc/06/82/90/932068290.db2.gz MGAGIIACOPBOAV-UYSNPLJNSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC001121900868 937888600 /nfs/dbraw/zinc/88/86/00/937888600.db2.gz KWOFVTRKZHPCJM-ZDUSSCGKSA-N 1 3 253.390 1.272 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001121922530 937890759 /nfs/dbraw/zinc/89/07/59/937890759.db2.gz LEQXOBBZVLUXOD-CABCVRRESA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001121971353 937895411 /nfs/dbraw/zinc/89/54/11/937895411.db2.gz ABQMRBFWLLVGRN-KKUMJFAQSA-N 1 3 279.428 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001121971353 937895413 /nfs/dbraw/zinc/89/54/13/937895413.db2.gz ABQMRBFWLLVGRN-KKUMJFAQSA-N 1 3 279.428 1.613 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158195784 938593302 /nfs/dbraw/zinc/59/33/02/938593302.db2.gz DTETYHKKLNSONU-CYBMUJFWSA-N 1 3 285.819 1.177 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159154830 938706105 /nfs/dbraw/zinc/70/61/05/938706105.db2.gz CJOVKSFRZUIQRN-LBPRGKRZSA-N 1 3 293.814 1.515 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160473806 938789669 /nfs/dbraw/zinc/78/96/69/938789669.db2.gz PXFDPYRWMVOGGN-OAHLLOKOSA-N 1 3 279.428 1.651 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160473806 938789670 /nfs/dbraw/zinc/78/96/70/938789670.db2.gz PXFDPYRWMVOGGN-OAHLLOKOSA-N 1 3 279.428 1.651 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205516103 939895126 /nfs/dbraw/zinc/89/51/26/939895126.db2.gz OMLYQPYYGHWDKN-OAHLLOKOSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206409584 940034187 /nfs/dbraw/zinc/03/41/87/940034187.db2.gz IQHSMDGEOJDAAU-UHFFFAOYSA-N 1 3 276.384 1.357 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208372970 940325493 /nfs/dbraw/zinc/32/54/93/940325493.db2.gz FLCYKNOWQCYBDV-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C[N@H+]1C[C@H]2CN(CCCc3ccc(C#N)cc3)C[C@H]2C1 ZINC001208863167 940398484 /nfs/dbraw/zinc/39/84/84/940398484.db2.gz ZMWLGRPTLMMNLH-CALCHBBNSA-N 1 3 269.392 1.984 20 30 CDEDHO C[N@@H+]1C[C@H]2CN(CCCc3ccc(C#N)cc3)C[C@H]2C1 ZINC001208863167 940398487 /nfs/dbraw/zinc/39/84/87/940398487.db2.gz ZMWLGRPTLMMNLH-CALCHBBNSA-N 1 3 269.392 1.984 20 30 CDEDHO CCC[NH+]1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001258766391 945404221 /nfs/dbraw/zinc/40/42/21/945404221.db2.gz TVBZYTBKMZKRKS-UHFFFAOYSA-N 1 3 264.348 1.800 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001214999963 940851387 /nfs/dbraw/zinc/85/13/87/940851387.db2.gz SPFQSLMHAUZIQA-ZIAGYGMSSA-N 1 3 281.444 1.729 20 30 CDEDHO N#Cc1ccc(NC(=O)[C@@H](N)CCC[NH3+])c2cccnc12 ZINC001219466194 941349176 /nfs/dbraw/zinc/34/91/76/941349176.db2.gz YRELUXMHLDFPNJ-LBPRGKRZSA-N 1 3 283.335 1.111 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001284722739 943248375 /nfs/dbraw/zinc/24/83/75/943248375.db2.gz BZPPEVUSINRGSZ-GOEBONIOSA-N 1 3 293.455 1.423 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258719331 945390476 /nfs/dbraw/zinc/39/04/76/945390476.db2.gz BATSZBCFYAIFAH-HNNXBMFYSA-N 1 3 253.434 1.957 20 30 CDEDHO N#Cc1ccccc1-c1cn(CCCC[NH2+]CCCN)nn1 ZINC001254162414 947314479 /nfs/dbraw/zinc/31/44/79/947314479.db2.gz AQMGFTWIHNJPDG-UHFFFAOYSA-N 1 3 298.394 1.535 20 30 CDEDHO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533911 947514728 /nfs/dbraw/zinc/51/47/28/947514728.db2.gz RHCOEDQQSUBALJ-CABCVRRESA-N 1 3 295.427 1.847 20 30 CDEDHO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254533911 947514739 /nfs/dbraw/zinc/51/47/39/947514739.db2.gz RHCOEDQQSUBALJ-CABCVRRESA-N 1 3 295.427 1.847 20 30 CDEDHO CCCCCCCC[C@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246012597 947892039 /nfs/dbraw/zinc/89/20/39/947892039.db2.gz BJXBSBYPNKQBFU-CABCVRRESA-N 1 3 271.449 1.249 20 30 CDEDHO C=C[C@@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001253600581 951988238 /nfs/dbraw/zinc/98/82/38/951988238.db2.gz DCWFPXWQVNYGOW-QGZVFWFLSA-N 1 3 289.423 1.071 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001340882233 956754695 /nfs/dbraw/zinc/75/46/95/956754695.db2.gz XCLPWAMHHIBMJN-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001340882233 956754701 /nfs/dbraw/zinc/75/47/01/956754701.db2.gz XCLPWAMHHIBMJN-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC001333711520 958533297 /nfs/dbraw/zinc/53/32/97/958533297.db2.gz RIRPRMFKUHMRSR-CQSZACIVSA-N 1 3 294.443 1.278 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001333711520 958533312 /nfs/dbraw/zinc/53/33/12/958533312.db2.gz RIRPRMFKUHMRSR-CQSZACIVSA-N 1 3 294.443 1.278 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001340042193 962707584 /nfs/dbraw/zinc/70/75/84/962707584.db2.gz UYLRIHDZJILXHQ-IHRRRGAJSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001340042193 962707601 /nfs/dbraw/zinc/70/76/01/962707601.db2.gz UYLRIHDZJILXHQ-IHRRRGAJSA-N 1 3 265.401 1.413 20 30 CDEDHO CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC001342631105 963779955 /nfs/dbraw/zinc/77/99/55/963779955.db2.gz NBRFYNRHUQVYDI-QWHCGFSZSA-N 1 3 268.405 1.244 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562242 968709478 /nfs/dbraw/zinc/70/94/78/968709478.db2.gz FYEGDGSNOFLTIF-UHFFFAOYSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001521464251 970299530 /nfs/dbraw/zinc/29/95/30/970299530.db2.gz RIXFUCKLTBLTPZ-HUUCEWRRSA-N 1 3 279.428 1.757 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001522100930 970399741 /nfs/dbraw/zinc/39/97/41/970399741.db2.gz HORZMZSUALMKMS-UKRRQHHQSA-N 1 3 269.433 1.933 20 30 CDEDHO C[NH+](C)CCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001133040315 1163540901 /nfs/dbraw/zinc/54/09/01/1163540901.db2.gz LEAQVHGKFSOYTD-UHFFFAOYSA-N 1 3 294.424 1.167 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181875 1163598190 /nfs/dbraw/zinc/59/81/90/1163598190.db2.gz KEXKYOXAUIAEGK-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C[C@@H](CCC#N)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000589820285 342514397 /nfs/dbraw/zinc/51/43/97/342514397.db2.gz KKPJBMDHRBBDOV-INIZCTEOSA-N 1 3 278.444 1.640 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+]CCNC3CC3)CC2)cc1 ZINC000591577207 342637721 /nfs/dbraw/zinc/63/77/21/342637721.db2.gz BCTIBLZUIIRCNY-UHFFFAOYSA-N 1 3 298.434 1.864 20 30 CDEDHO N#Cc1ccc(CN2CCC(NCC[NH2+]C3CC3)CC2)cc1 ZINC000591577207 342637722 /nfs/dbraw/zinc/63/77/22/342637722.db2.gz BCTIBLZUIIRCNY-UHFFFAOYSA-N 1 3 298.434 1.864 20 30 CDEDHO CCC(C#N)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000593418272 342799855 /nfs/dbraw/zinc/79/98/55/342799855.db2.gz DJFZCSIUNIZCOR-LBPRGKRZSA-N 1 3 250.346 1.230 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000237057443 342281055 /nfs/dbraw/zinc/28/10/55/342281055.db2.gz PXSYTPUNOQGUJF-WCQYABFASA-N 1 3 253.390 1.126 20 30 CDEDHO N#C[C@@H]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000442788923 362090865 /nfs/dbraw/zinc/09/08/65/362090865.db2.gz GFRKQZJLDLHBHE-CABCVRRESA-N 1 3 277.412 1.913 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000598714696 343880965 /nfs/dbraw/zinc/88/09/65/343880965.db2.gz IPQQRVZEPIXYPJ-MCIONIFRSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000598714696 343880966 /nfs/dbraw/zinc/88/09/66/343880966.db2.gz IPQQRVZEPIXYPJ-MCIONIFRSA-N 1 3 265.401 1.504 20 30 CDEDHO CN(C)CCN(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000598918733 343926421 /nfs/dbraw/zinc/92/64/21/343926421.db2.gz XZTKDGZSLICWPU-UHFFFAOYSA-N 1 3 274.412 1.531 20 30 CDEDHO CCN1CCN(CCCC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602509311 344458604 /nfs/dbraw/zinc/45/86/04/344458604.db2.gz DUVDTYGLEGTDMO-INIZCTEOSA-N 1 3 280.460 1.934 20 30 CDEDHO CC(C)[NH+]1CCN(CCCN[C@@H](C)CC#N)CC1 ZINC000602871905 344641769 /nfs/dbraw/zinc/64/17/69/344641769.db2.gz YKBQJKWNSOQBKJ-AWEZNQCLSA-N 1 3 252.406 1.294 20 30 CDEDHO CCCNC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264105457 362968428 /nfs/dbraw/zinc/96/84/28/362968428.db2.gz PGZQVGORLWCWHP-UHFFFAOYSA-N 1 3 278.400 1.441 20 30 CDEDHO CN(CCC(=O)N(C)CCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000092797669 360286148 /nfs/dbraw/zinc/28/61/48/360286148.db2.gz ZONLCKAJUAWZJE-AWEZNQCLSA-N 1 3 280.416 1.022 20 30 CDEDHO CN(CCC(=O)N(C)CCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000092797669 360286152 /nfs/dbraw/zinc/28/61/52/360286152.db2.gz ZONLCKAJUAWZJE-AWEZNQCLSA-N 1 3 280.416 1.022 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341934 376333193 /nfs/dbraw/zinc/33/31/93/376333193.db2.gz OXLWRCNLOBYSKM-HZPDHXFCSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416758 378360381 /nfs/dbraw/zinc/36/03/81/378360381.db2.gz XNQJTGVPDHUROK-CABCVRRESA-N 1 3 293.455 1.799 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000645416760 378360639 /nfs/dbraw/zinc/36/06/39/378360639.db2.gz XNQJTGVPDHUROK-HUUCEWRRSA-N 1 3 293.455 1.799 20 30 CDEDHO C#CCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000291644890 378460516 /nfs/dbraw/zinc/46/05/16/378460516.db2.gz BZZCCPYFLJOFSH-AWEZNQCLSA-N 1 3 260.381 1.986 20 30 CDEDHO CN(CCCN(C)Cc1ccccc1C#N)CC[NH+](C)C ZINC000289418690 197337319 /nfs/dbraw/zinc/33/73/19/197337319.db2.gz MMGUMPSHRVVMEJ-UHFFFAOYSA-N 1 3 288.439 1.874 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C#N)c1 ZINC000104165472 390485890 /nfs/dbraw/zinc/48/58/90/390485890.db2.gz OUUVOQLSXWBXDG-HNNXBMFYSA-N 1 3 285.395 1.447 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(CCC)C1CC[NH2+]CC1 ZINC000491657260 391187173 /nfs/dbraw/zinc/18/71/73/391187173.db2.gz JNVMNFSYFYKPDC-UHFFFAOYSA-N 1 3 294.443 1.115 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000417061323 391341793 /nfs/dbraw/zinc/34/17/93/391341793.db2.gz KYXOBTVOOLRTKI-GJZGRUSLSA-N 1 3 294.443 1.428 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977625 391375342 /nfs/dbraw/zinc/37/53/42/391375342.db2.gz FITPHFJOZJNAMJ-JYJNAYRXSA-N 1 3 291.439 1.485 20 30 CDEDHO CN(C)CCOc1ccccc1CNC1=[NH+]CCN1C ZINC000262637313 391804813 /nfs/dbraw/zinc/80/48/13/391804813.db2.gz HASPBIUWPRTRHT-UHFFFAOYSA-N 1 3 276.384 1.018 20 30 CDEDHO C=C(C)C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192792677 393167241 /nfs/dbraw/zinc/16/72/41/393167241.db2.gz KRTHLHPZDWAGRM-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO C=C(C)C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192792677 393167242 /nfs/dbraw/zinc/16/72/42/393167242.db2.gz KRTHLHPZDWAGRM-UHFFFAOYSA-N 1 3 253.434 1.910 20 30 CDEDHO CC#CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000364044931 262121006 /nfs/dbraw/zinc/12/10/06/262121006.db2.gz KBHKJMKHBCUGPL-UHFFFAOYSA-N 1 3 277.456 1.890 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446886 423863198 /nfs/dbraw/zinc/86/31/98/423863198.db2.gz MBWNJDOFDMBJHN-GDBMZVCRSA-N 1 3 277.412 1.143 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367398746 267044381 /nfs/dbraw/zinc/04/43/81/267044381.db2.gz ATRVZQNTPSPIBA-TZMCWYRMSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)[NH2+]C)C(C)C ZINC000582132575 327802996 /nfs/dbraw/zinc/80/29/96/327802996.db2.gz QQZOBGIEXAKKAY-KBPBESRZSA-N 1 3 267.417 1.409 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000171735061 329079759 /nfs/dbraw/zinc/07/97/59/329079759.db2.gz DDOKFOARFFQTOE-UHFFFAOYSA-N 1 3 294.443 1.278 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCS1 ZINC000262352772 330007698 /nfs/dbraw/zinc/00/76/98/330007698.db2.gz FKFAQILKMHVKPZ-TZMCWYRMSA-N 1 3 284.473 1.661 20 30 CDEDHO C#CCNC(NCC1(N(C)C)CCCCC1)=[NH+]C ZINC000262628943 330023354 /nfs/dbraw/zinc/02/33/54/330023354.db2.gz UTEMNSXLQPGQDY-UHFFFAOYSA-N 1 3 250.390 1.049 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000263065519 330041771 /nfs/dbraw/zinc/04/17/71/330041771.db2.gz GCSISKKBKIGNLC-RFQIPJPRSA-N 1 3 282.432 1.189 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422981571 330162542 /nfs/dbraw/zinc/16/25/42/330162542.db2.gz SXTICLSPNQGTLI-HIFRSBDPSA-N 1 3 251.418 1.615 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139414 330279069 /nfs/dbraw/zinc/27/90/69/330279069.db2.gz VGAYCMRIDMBBQI-HZSPNIEDSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)[N@H+]1CCCC[C@H]1C ZINC000424139414 330279071 /nfs/dbraw/zinc/27/90/71/330279071.db2.gz VGAYCMRIDMBBQI-HZSPNIEDSA-N 1 3 280.416 1.387 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C[C@H]1C ZINC000424142135 330284087 /nfs/dbraw/zinc/28/40/87/330284087.db2.gz HXMKIRYFIAICML-RDBSUJKOSA-N 1 3 280.416 1.339 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C[C@H]1C ZINC000424142135 330284088 /nfs/dbraw/zinc/28/40/88/330284088.db2.gz HXMKIRYFIAICML-RDBSUJKOSA-N 1 3 280.416 1.339 20 30 CDEDHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424143368 330287038 /nfs/dbraw/zinc/28/70/38/330287038.db2.gz GCFKBHOYJPKJIW-HZSPNIEDSA-N 1 3 280.416 1.244 20 30 CDEDHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](N)CCCC#N ZINC000424143368 330287039 /nfs/dbraw/zinc/28/70/39/330287039.db2.gz GCFKBHOYJPKJIW-HZSPNIEDSA-N 1 3 280.416 1.244 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424161705 330307308 /nfs/dbraw/zinc/30/73/08/330307308.db2.gz VYOCOGAFSWATLJ-HNNXBMFYSA-N 1 3 292.427 1.484 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000424161705 330307309 /nfs/dbraw/zinc/30/73/09/330307309.db2.gz VYOCOGAFSWATLJ-HNNXBMFYSA-N 1 3 292.427 1.484 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000490651663 332100056 /nfs/dbraw/zinc/10/00/56/332100056.db2.gz UXZGNCOJTBXXII-MRXNPFEDSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000490651663 332100057 /nfs/dbraw/zinc/10/00/57/332100057.db2.gz UXZGNCOJTBXXII-MRXNPFEDSA-N 1 3 289.423 1.027 20 30 CDEDHO C=CCN1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)C1=O ZINC000352809279 526483446 /nfs/dbraw/zinc/48/34/46/526483446.db2.gz GPGSFQNRHRLGPM-CQSZACIVSA-N 1 3 265.401 1.236 20 30 CDEDHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345037156 529001575 /nfs/dbraw/zinc/00/15/75/529001575.db2.gz PKFCYRBFHBACMA-CYBMUJFWSA-N 1 3 292.427 1.400 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000763987736 576771397 /nfs/dbraw/zinc/77/13/97/576771397.db2.gz OGQNEIYUIFEKGQ-INIZCTEOSA-N 1 3 287.407 1.495 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000963158275 612955762 /nfs/dbraw/zinc/95/57/62/612955762.db2.gz WPGWUNNQKCWIOM-NRXISQOPSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244243 613007196 /nfs/dbraw/zinc/00/71/96/613007196.db2.gz GFQZDPXRDGIWNH-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948244243 613007198 /nfs/dbraw/zinc/00/71/98/613007198.db2.gz GFQZDPXRDGIWNH-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948245327 613313564 /nfs/dbraw/zinc/31/35/64/613313564.db2.gz OWFPFQXMEDMOHL-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948245327 613313566 /nfs/dbraw/zinc/31/35/66/613313566.db2.gz OWFPFQXMEDMOHL-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948245332 613315120 /nfs/dbraw/zinc/31/51/20/613315120.db2.gz OWFPFQXMEDMOHL-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948245332 613315121 /nfs/dbraw/zinc/31/51/21/613315121.db2.gz OWFPFQXMEDMOHL-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000981391232 613495139 /nfs/dbraw/zinc/49/51/39/613495139.db2.gz MVOQYZIDSFHVPH-HNNXBMFYSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000981391232 613495140 /nfs/dbraw/zinc/49/51/40/613495140.db2.gz MVOQYZIDSFHVPH-HNNXBMFYSA-N 1 3 281.444 1.683 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132884808 1163499708 /nfs/dbraw/zinc/49/97/08/1163499708.db2.gz WGUBTUMDCSSODJ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347361 1163649799 /nfs/dbraw/zinc/64/97/99/1163649799.db2.gz WIJPIGCBJWOEHB-CVEARBPZSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114410715 1164899751 /nfs/dbraw/zinc/89/97/51/1164899751.db2.gz ZCBVVXZPVDDAEY-JJXSEGSLSA-N 1 3 291.439 1.339 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114410715 1164899767 /nfs/dbraw/zinc/89/97/67/1164899767.db2.gz ZCBVVXZPVDDAEY-JJXSEGSLSA-N 1 3 291.439 1.339 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001690363321 1175449463 /nfs/dbraw/zinc/44/94/63/1175449463.db2.gz JZMHLECGGASGBT-XQQFMLRXSA-N 1 3 253.390 1.140 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001732422357 1182957916 /nfs/dbraw/zinc/95/79/16/1182957916.db2.gz FNELZSCYGJFMTN-GJZGRUSLSA-N 1 3 283.460 1.975 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001755431455 1185949624 /nfs/dbraw/zinc/94/96/24/1185949624.db2.gz KNCVFWXBGWFIEY-XQLPTFJDSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001755431455 1185949629 /nfs/dbraw/zinc/94/96/29/1185949629.db2.gz KNCVFWXBGWFIEY-XQLPTFJDSA-N 1 3 279.428 1.197 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996993748 837447522 /nfs/dbraw/zinc/44/75/22/837447522.db2.gz DJBDVMOKQLYMLD-ZDUSSCGKSA-N 1 3 299.846 1.804 20 30 CDEDHO C#CCN1CCC(C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000846612713 835860781 /nfs/dbraw/zinc/86/07/81/835860781.db2.gz OLTWMNVTSHKYQF-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCN1CCC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000886660808 836110501 /nfs/dbraw/zinc/11/05/01/836110501.db2.gz GKVALDRPGLWHJG-MRXNPFEDSA-N 1 3 277.456 1.937 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC000999877071 836147514 /nfs/dbraw/zinc/14/75/14/836147514.db2.gz YELOERFJWMAHJD-NRXISQOPSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044796343 836151122 /nfs/dbraw/zinc/15/11/22/836151122.db2.gz JSEPUOGYZFMSQY-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C[C@H](CNC(=[NH2+])N1CCSCC1)N1CCCC[C@@H]1C ZINC000262026768 836432110 /nfs/dbraw/zinc/43/21/10/836432110.db2.gz ZRBZVXJRJHDLMJ-QWHCGFSZSA-N 1 3 284.473 1.613 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000804867627 836943298 /nfs/dbraw/zinc/94/32/98/836943298.db2.gz HEOUFZBTCUWQQM-UHFFFAOYSA-N 1 3 293.411 1.678 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996310751 836973634 /nfs/dbraw/zinc/97/36/34/836973634.db2.gz PKKHRRYOJYEUJX-CQSZACIVSA-N 1 3 291.439 1.178 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nccs1 ZINC000170907271 838092121 /nfs/dbraw/zinc/09/21/21/838092121.db2.gz PNKNLQMPFUETOV-SNVBAGLBSA-N 1 3 267.402 1.032 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001018966959 838800723 /nfs/dbraw/zinc/80/07/23/838800723.db2.gz YBOJOJMHKHMPNX-KBPBESRZSA-N 1 3 265.401 1.093 20 30 CDEDHO N#Cc1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000872146846 839258591 /nfs/dbraw/zinc/25/85/91/839258591.db2.gz ZALZWANHZWEFMM-CQSZACIVSA-N 1 3 285.395 1.075 20 30 CDEDHO C=CCC[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132545 839505233 /nfs/dbraw/zinc/50/52/33/839505233.db2.gz IBYHBPCQGVOJEO-ZBFHGGJFSA-N 1 3 275.396 1.919 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034042903 839751546 /nfs/dbraw/zinc/75/15/46/839751546.db2.gz RSNBYRKECNFUND-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034042903 839751555 /nfs/dbraw/zinc/75/15/55/839751555.db2.gz RSNBYRKECNFUND-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073126074 840339639 /nfs/dbraw/zinc/33/96/39/840339639.db2.gz VAOMGJKJYGHZNX-AWEZNQCLSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073126074 840339643 /nfs/dbraw/zinc/33/96/43/840339643.db2.gz VAOMGJKJYGHZNX-AWEZNQCLSA-N 1 3 277.412 1.049 20 30 CDEDHO C#CCC[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005994726 840760767 /nfs/dbraw/zinc/76/07/67/840760767.db2.gz HQOYUHQXZHLGPW-HNNXBMFYSA-N 1 3 291.439 1.417 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000262021272 841310404 /nfs/dbraw/zinc/31/04/04/841310404.db2.gz XYJSODOXIXDSLE-CHWSQXEVSA-N 1 3 252.406 1.730 20 30 CDEDHO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029001728 841813556 /nfs/dbraw/zinc/81/35/56/841813556.db2.gz BOUZZAGNBDBFNX-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029001728 841813558 /nfs/dbraw/zinc/81/35/58/841813558.db2.gz BOUZZAGNBDBFNX-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533054 841815381 /nfs/dbraw/zinc/81/53/81/841815381.db2.gz LZVSJPMWFQOULQ-PMPSAXMXSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533054 841815383 /nfs/dbraw/zinc/81/53/83/841815383.db2.gz LZVSJPMWFQOULQ-PMPSAXMXSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533054 841815384 /nfs/dbraw/zinc/81/53/84/841815384.db2.gz LZVSJPMWFQOULQ-PMPSAXMXSA-N 1 3 293.455 1.824 20 30 CDEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005184234 841847527 /nfs/dbraw/zinc/84/75/27/841847527.db2.gz LAYRCUAZAMMHIS-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606795 842267283 /nfs/dbraw/zinc/26/72/83/842267283.db2.gz VBFKCVRJSRQBNF-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO CC[NH+](CC)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000929275592 842594787 /nfs/dbraw/zinc/59/47/87/842594787.db2.gz KGHFTASXZPCYJD-CQSZACIVSA-N 1 3 253.390 1.315 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NCCC ZINC000303871756 842810312 /nfs/dbraw/zinc/81/03/12/842810312.db2.gz GAYUTISCJNPLIS-CYBMUJFWSA-N 1 3 254.422 1.955 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303902119 842836532 /nfs/dbraw/zinc/83/65/32/842836532.db2.gz XQGDNLMOEAMKGL-HUUCEWRRSA-N 1 3 286.423 1.715 20 30 CDEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005179374 842877174 /nfs/dbraw/zinc/87/71/74/842877174.db2.gz NRTOXYLWCVHMEK-OAHLLOKOSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001121944396 913277146 /nfs/dbraw/zinc/27/71/46/913277146.db2.gz QTHWDNNWSUJNMU-RYUDHWBXSA-N 1 3 253.390 1.174 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291627 895429263 /nfs/dbraw/zinc/42/92/63/895429263.db2.gz QNRXCPKRJOCCRJ-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO N#Cc1cccc(CCC[N@H+]2CC[C@H]3C[C@@]3(N)C2)c1 ZINC001235165083 914060706 /nfs/dbraw/zinc/06/07/06/914060706.db2.gz GGMDLMHIFODUQT-JKSUJKDBSA-N 1 3 255.365 1.914 20 30 CDEDHO N#Cc1cccc(CCC[N@@H+]2CC[C@H]3C[C@@]3(N)C2)c1 ZINC001235165083 914060724 /nfs/dbraw/zinc/06/07/24/914060724.db2.gz GGMDLMHIFODUQT-JKSUJKDBSA-N 1 3 255.365 1.914 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203437662 905271267 /nfs/dbraw/zinc/27/12/67/905271267.db2.gz QHTQAULINTUSMR-UHFFFAOYSA-N 1 3 287.835 1.661 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022455 905828256 /nfs/dbraw/zinc/82/82/56/905828256.db2.gz PEFBEYNFOLYOFI-UONOGXRCSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168022455 905828267 /nfs/dbraw/zinc/82/82/67/905828267.db2.gz PEFBEYNFOLYOFI-UONOGXRCSA-N 1 3 299.846 1.852 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088110017 906327907 /nfs/dbraw/zinc/32/79/07/906327907.db2.gz JJKKHBZUOWSVMA-PMPSAXMXSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088110017 906327924 /nfs/dbraw/zinc/32/79/24/906327924.db2.gz JJKKHBZUOWSVMA-PMPSAXMXSA-N 1 3 293.455 1.683 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179587331 915888935 /nfs/dbraw/zinc/88/89/35/915888935.db2.gz YNOQJNUDBGSQKW-MRXNPFEDSA-N 1 3 293.455 1.618 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040485 917892191 /nfs/dbraw/zinc/89/21/91/917892191.db2.gz GDMJDZJTSCFKBI-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183517046 918506734 /nfs/dbraw/zinc/50/67/34/918506734.db2.gz LYPOGDXETSURKK-NVXWUHKLSA-N 1 3 295.471 1.977 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)cc1F ZINC001205221725 919181802 /nfs/dbraw/zinc/18/18/02/919181802.db2.gz XGLSMGHOUVBPJB-HNNXBMFYSA-N 1 3 277.343 1.373 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185750967 919753638 /nfs/dbraw/zinc/75/36/38/919753638.db2.gz NDJYDHXZVXVQEO-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001078795376 920468156 /nfs/dbraw/zinc/46/81/56/920468156.db2.gz PTGXQIQZWGYROY-KGLIPLIRSA-N 1 3 288.395 1.464 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644431 922121429 /nfs/dbraw/zinc/12/14/29/922121429.db2.gz HMUZVOFUOABINA-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190644431 922121431 /nfs/dbraw/zinc/12/14/31/922121431.db2.gz HMUZVOFUOABINA-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219662 936746719 /nfs/dbraw/zinc/74/67/19/936746719.db2.gz OLKUEKBDHZQJPM-JJXSEGSLSA-N 1 3 291.439 1.626 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098219662 936746721 /nfs/dbraw/zinc/74/67/21/936746721.db2.gz OLKUEKBDHZQJPM-JJXSEGSLSA-N 1 3 291.439 1.626 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC)C2)CC1 ZINC001086278409 926931912 /nfs/dbraw/zinc/93/19/12/926931912.db2.gz VEOUXWUYLYWTGV-FZNQNYSPSA-N 1 3 291.439 1.226 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495941 928609490 /nfs/dbraw/zinc/60/94/90/928609490.db2.gz LAYYFKQEZRUWMN-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCOC[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252491685 928727919 /nfs/dbraw/zinc/72/79/19/928727919.db2.gz UAPRFWGJYLXYPY-HZSPNIEDSA-N 1 3 256.390 1.012 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001252491685 928727922 /nfs/dbraw/zinc/72/79/22/928727922.db2.gz UAPRFWGJYLXYPY-HZSPNIEDSA-N 1 3 256.390 1.012 20 30 CDEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688646 929009025 /nfs/dbraw/zinc/00/90/25/929009025.db2.gz ZXODKXNIHNEBOQ-FXUDXRNXSA-N 1 3 293.455 1.870 20 30 CDEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109688646 929009033 /nfs/dbraw/zinc/00/90/33/929009033.db2.gz ZXODKXNIHNEBOQ-FXUDXRNXSA-N 1 3 293.455 1.870 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134606983 929814257 /nfs/dbraw/zinc/81/42/57/929814257.db2.gz CFASDGXBKHMMLL-UONOGXRCSA-N 1 3 279.428 1.367 20 30 CDEDHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001152439887 937362435 /nfs/dbraw/zinc/36/24/35/937362435.db2.gz UEVQUYBPHYSADJ-UHFFFAOYSA-N 1 3 294.424 1.166 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152459111 937364452 /nfs/dbraw/zinc/36/44/52/937364452.db2.gz YWRVRGJBWYNOGS-AWEZNQCLSA-N 1 3 267.417 1.533 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148277626 932690213 /nfs/dbraw/zinc/69/02/13/932690213.db2.gz JCITWYYGGUPBSU-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253577718 935236305 /nfs/dbraw/zinc/23/63/05/935236305.db2.gz YBMGQLRIUSKAQH-MJBXVCDLSA-N 1 3 278.421 1.659 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001253577718 935236311 /nfs/dbraw/zinc/23/63/11/935236311.db2.gz YBMGQLRIUSKAQH-MJBXVCDLSA-N 1 3 278.421 1.659 20 30 CDEDHO CC#CC[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106277 937905699 /nfs/dbraw/zinc/90/56/99/937905699.db2.gz CVMUCFUSPWSZHV-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029152 938576124 /nfs/dbraw/zinc/57/61/24/938576124.db2.gz DASFZNYATUWKSF-ZIAGYGMSSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029152 938576125 /nfs/dbraw/zinc/57/61/25/938576125.db2.gz DASFZNYATUWKSF-ZIAGYGMSSA-N 1 3 299.846 1.709 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(CCC#N)CCC#N ZINC001160750337 938823705 /nfs/dbraw/zinc/82/37/05/938823705.db2.gz HOCAIGWIGVPJFN-AWEZNQCLSA-N 1 3 293.415 1.138 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461859 939890762 /nfs/dbraw/zinc/89/07/62/939890762.db2.gz QECQSPMTOJAROA-HNNXBMFYSA-N 1 3 279.428 1.341 20 30 CDEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221292932 941514369 /nfs/dbraw/zinc/51/43/69/941514369.db2.gz WNKJJXDYIBNVCM-DZGCQCFKSA-N 1 3 292.427 1.305 20 30 CDEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221292932 941514371 /nfs/dbraw/zinc/51/43/71/941514371.db2.gz WNKJJXDYIBNVCM-DZGCQCFKSA-N 1 3 292.427 1.305 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223495043 941681945 /nfs/dbraw/zinc/68/19/45/941681945.db2.gz HYQMFOVWDYYDAX-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCOC1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246135684 947979421 /nfs/dbraw/zinc/97/94/21/947979421.db2.gz UMVHCNYBAHVRIK-RUXDESIVSA-N 1 3 250.386 1.842 20 30 CDEDHO N#Cc1ccccc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246361659 948132376 /nfs/dbraw/zinc/13/23/76/948132376.db2.gz MUSDYHGCJLYSBY-UHFFFAOYSA-N 1 3 298.434 1.864 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415837 948162940 /nfs/dbraw/zinc/16/29/40/948162940.db2.gz LIVIVEACTGBSRI-DOMZBBRYSA-N 1 3 288.395 1.062 20 30 CDEDHO CC(C)N1CCN(CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256957908 948463088 /nfs/dbraw/zinc/46/30/88/948463088.db2.gz LRLXMXBZEZXJTF-UHFFFAOYSA-N 1 3 278.444 1.684 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](Cc1ccccc1)[NH2+]C ZINC001341027694 963242731 /nfs/dbraw/zinc/24/27/31/963242731.db2.gz KGJWQOBINGKUBD-HOTGVXAUSA-N 1 3 289.423 1.617 20 30 CDEDHO C#CC[C@]1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC001574517827 1170991115 /nfs/dbraw/zinc/99/11/15/1170991115.db2.gz QTNMUWXNRKJARV-YQQAZPJKSA-N 1 3 291.439 1.511 20 30 CDEDHO C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000597992980 343683028 /nfs/dbraw/zinc/68/30/28/343683028.db2.gz QKLGNLPXRUZWHL-CJNGLKHVSA-N 1 3 298.390 1.697 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000600768895 349878668 /nfs/dbraw/zinc/87/86/68/349878668.db2.gz HQFFBJQXVKRWLA-OLZOCXBDSA-N 1 3 259.353 1.973 20 30 CDEDHO N#C[C@@H]1CCC[C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447561957 362457957 /nfs/dbraw/zinc/45/79/57/362457957.db2.gz JZJIXAZETRVMJO-QLFBSQMISA-N 1 3 292.427 1.246 20 30 CDEDHO N#C[C@@H]1CCC[C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000447561957 362457962 /nfs/dbraw/zinc/45/79/62/362457962.db2.gz JZJIXAZETRVMJO-QLFBSQMISA-N 1 3 292.427 1.246 20 30 CDEDHO CC[NH+]1CCC(CNCc2cccc(C#N)n2)CC1 ZINC000602552560 350124502 /nfs/dbraw/zinc/12/45/02/350124502.db2.gz RLNSOXWKBQGXHH-UHFFFAOYSA-N 1 3 258.369 1.775 20 30 CDEDHO N#Cc1cccc(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000602638488 350135040 /nfs/dbraw/zinc/13/50/40/350135040.db2.gz TUGHQWCDUJHINZ-UHFFFAOYSA-N 1 3 270.380 1.917 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000669385691 482763564 /nfs/dbraw/zinc/76/35/64/482763564.db2.gz FGVMLVPSLHQFMT-ZIAGYGMSSA-N 1 3 282.432 1.331 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C(C)C ZINC000130457697 368831842 /nfs/dbraw/zinc/83/18/42/368831842.db2.gz SNKMFGRHHQXYFY-HOTGVXAUSA-N 1 3 293.455 1.801 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247924689 377182218 /nfs/dbraw/zinc/18/22/18/377182218.db2.gz BLYGZXCEBIXAGW-SOUVJXGZSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247924689 377182225 /nfs/dbraw/zinc/18/22/25/377182225.db2.gz BLYGZXCEBIXAGW-SOUVJXGZSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247924689 377182232 /nfs/dbraw/zinc/18/22/32/377182232.db2.gz BLYGZXCEBIXAGW-SOUVJXGZSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247924689 377182244 /nfs/dbraw/zinc/18/22/44/377182244.db2.gz BLYGZXCEBIXAGW-SOUVJXGZSA-N 1 3 252.402 1.730 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563809269 378176498 /nfs/dbraw/zinc/17/64/98/378176498.db2.gz UTYGHPHYZXNLHW-OLZOCXBDSA-N 1 3 282.432 1.452 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237594407 390857316 /nfs/dbraw/zinc/85/73/16/390857316.db2.gz OMDGMYFDQGVKDQ-CABCVRRESA-N 1 3 293.455 1.779 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000417060340 391341845 /nfs/dbraw/zinc/34/18/45/391341845.db2.gz JVNIOZCGPWPVGM-KBPBESRZSA-N 1 3 282.432 1.331 20 30 CDEDHO C[C@@H](CCC#N)[N@H+](C)CCCN(C)CCN(C)C ZINC000411739073 391516971 /nfs/dbraw/zinc/51/69/71/391516971.db2.gz VSJXJWHPNJNFKX-AWEZNQCLSA-N 1 3 254.422 1.494 20 30 CDEDHO C[C@@H](CCC#N)[N@@H+](C)CCCN(C)CCN(C)C ZINC000411739073 391516974 /nfs/dbraw/zinc/51/69/74/391516974.db2.gz VSJXJWHPNJNFKX-AWEZNQCLSA-N 1 3 254.422 1.494 20 30 CDEDHO CN(C)C(=[NH2+])NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190536588 262183912 /nfs/dbraw/zinc/18/39/12/262183912.db2.gz MWPIVIZNHCXDOU-HNNXBMFYSA-N 1 3 290.411 1.154 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000357793857 266363693 /nfs/dbraw/zinc/36/36/93/266363693.db2.gz CAYZAZNJSHAYND-RYUDHWBXSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C#N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000357793857 266363691 /nfs/dbraw/zinc/36/36/91/266363691.db2.gz CAYZAZNJSHAYND-RYUDHWBXSA-N 1 3 251.374 1.773 20 30 CDEDHO C[C@H](NCCOCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000574755547 295049099 /nfs/dbraw/zinc/04/90/99/295049099.db2.gz URNDWYDQYYOXKX-LBPRGKRZSA-N 1 3 279.359 1.926 20 30 CDEDHO C[C@H](CC[NH2+]C[C@H](O)CN(C)CCC#N)N1CCCCC1 ZINC000564872952 327061740 /nfs/dbraw/zinc/06/17/40/327061740.db2.gz JULXGPAGHVHNSE-CVEARBPZSA-N 1 3 296.459 1.047 20 30 CDEDHO C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262475917 330016148 /nfs/dbraw/zinc/01/61/48/330016148.db2.gz CBOFLQULDPSJJG-CHWSQXEVSA-N 1 3 266.433 1.634 20 30 CDEDHO C#CCNC(NC[C@]1(N(C)C)CCC[C@H](C)C1)=[NH+]C ZINC000262631760 330023561 /nfs/dbraw/zinc/02/35/61/330023561.db2.gz LDCAOUOBOQVQOH-ZFWWWQNUSA-N 1 3 264.417 1.295 20 30 CDEDHO C=C(C)C[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001753232783 1185126010 /nfs/dbraw/zinc/12/60/10/1185126010.db2.gz LJZIBBZWKZUKFS-UHFFFAOYSA-N 1 3 269.433 1.588 20 30 CDEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067671786 521691610 /nfs/dbraw/zinc/69/16/10/521691610.db2.gz AZKKHXHPCQBDSJ-HNNXBMFYSA-N 1 3 286.423 1.674 20 30 CDEDHO C#CCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000766925064 576146641 /nfs/dbraw/zinc/14/66/41/576146641.db2.gz WJDGOHAOFSQFCW-UHFFFAOYSA-N 1 3 277.456 1.890 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369470 613002531 /nfs/dbraw/zinc/00/25/31/613002531.db2.gz MLPGOYAUAOEPQV-MRXNPFEDSA-N 1 3 291.439 1.418 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369470 613002532 /nfs/dbraw/zinc/00/25/32/613002532.db2.gz MLPGOYAUAOEPQV-MRXNPFEDSA-N 1 3 291.439 1.418 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908436812 628199753 /nfs/dbraw/zinc/19/97/53/628199753.db2.gz VOXBXIYVNLSNAQ-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908436812 628199757 /nfs/dbraw/zinc/19/97/57/628199757.db2.gz VOXBXIYVNLSNAQ-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911872563 629574682 /nfs/dbraw/zinc/57/46/82/629574682.db2.gz ZBAJBSZIJOJLIR-CHWSQXEVSA-N 1 3 255.406 1.502 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000911864939 629577540 /nfs/dbraw/zinc/57/75/40/629577540.db2.gz WEJRUVPRMAEPGY-AWEZNQCLSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001754246335 1159000603 /nfs/dbraw/zinc/00/06/03/1159000603.db2.gz ZDDKCAAUHUXBKC-CJNGLKHVSA-N 1 3 299.434 1.869 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129442784 1162474893 /nfs/dbraw/zinc/47/48/93/1162474893.db2.gz GDLCOSDZBLVLSU-HNNXBMFYSA-N 1 3 281.444 1.779 20 30 CDEDHO CC#CC[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001266911985 1158981732 /nfs/dbraw/zinc/98/17/32/1158981732.db2.gz QJSGRUXDJTYEDD-YMAMQOFZSA-N 1 3 279.428 1.367 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001752970712 1184980021 /nfs/dbraw/zinc/98/00/21/1184980021.db2.gz DUWCMDOLMGAFFY-KGLIPLIRSA-N 1 3 277.412 1.121 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)CN(CC)CC)C1 ZINC001753437047 1185207316 /nfs/dbraw/zinc/20/73/16/1185207316.db2.gz RICOCOYAVDIONG-LSDHHAIUSA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)CN(CC)CC)C1 ZINC001753437047 1185207319 /nfs/dbraw/zinc/20/73/19/1185207319.db2.gz RICOCOYAVDIONG-LSDHHAIUSA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001755724777 1186048040 /nfs/dbraw/zinc/04/80/40/1186048040.db2.gz XZJJQAAOCSIVBS-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001021091062 844666038 /nfs/dbraw/zinc/66/60/38/844666038.db2.gz RIXDFDLQKVBQAE-AJNGGQMLSA-N 1 3 279.428 1.672 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034492349 844582947 /nfs/dbraw/zinc/58/29/47/844582947.db2.gz NETYMHJXEXMTJC-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034492349 844582950 /nfs/dbraw/zinc/58/29/50/844582950.db2.gz NETYMHJXEXMTJC-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001022808106 843049668 /nfs/dbraw/zinc/04/96/68/843049668.db2.gz PXEKBIJGNSERRG-ZNMIVQPWSA-N 1 3 277.412 1.119 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304847894 843419085 /nfs/dbraw/zinc/41/90/85/843419085.db2.gz OVGCHMLDUWHXPQ-CYBMUJFWSA-N 1 3 266.433 1.811 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000883131268 843757042 /nfs/dbraw/zinc/75/70/42/843757042.db2.gz SURDBBBTHFCWEA-UHFFFAOYSA-N 1 3 272.352 1.313 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000883131268 843757063 /nfs/dbraw/zinc/75/70/63/843757063.db2.gz SURDBBBTHFCWEA-UHFFFAOYSA-N 1 3 272.352 1.313 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996299939 843890739 /nfs/dbraw/zinc/89/07/39/843890739.db2.gz HDCKINABNVCWGE-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985645749 845011765 /nfs/dbraw/zinc/01/17/65/845011765.db2.gz DIKHEAPPPQGQDK-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985645749 845011776 /nfs/dbraw/zinc/01/17/76/845011776.db2.gz DIKHEAPPPQGQDK-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575786 845296470 /nfs/dbraw/zinc/29/64/70/845296470.db2.gz DVZIACPDUYTGNO-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027575786 845296481 /nfs/dbraw/zinc/29/64/81/845296481.db2.gz DVZIACPDUYTGNO-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C[C@H](CNC(=[NH2+])NCC1CCC1)N1CCC[C@H](C)C1 ZINC000261979137 845332785 /nfs/dbraw/zinc/33/27/85/845332785.db2.gz HFPCKEBIPVOMRW-QWHCGFSZSA-N 1 3 266.433 1.811 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001143368 845577279 /nfs/dbraw/zinc/57/72/79/845577279.db2.gz GNARXALMYJSOOJ-HIFRSBDPSA-N 1 3 277.412 1.118 20 30 CDEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001143368 845577293 /nfs/dbraw/zinc/57/72/93/845577293.db2.gz GNARXALMYJSOOJ-HIFRSBDPSA-N 1 3 277.412 1.118 20 30 CDEDHO C[C@H](C[NH+]=C(N(C)C)N(C)C)N1CCC[C@H](C)C1 ZINC000261987807 845828671 /nfs/dbraw/zinc/82/86/71/845828671.db2.gz KQGMUVXWIZZKNV-QWHCGFSZSA-N 1 3 254.422 1.586 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000104168029 845897885 /nfs/dbraw/zinc/89/78/85/845897885.db2.gz LGLMJPDUUYGPGV-OLZOCXBDSA-N 1 3 252.406 1.587 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1scnc1C ZINC000104193706 845937642 /nfs/dbraw/zinc/93/76/42/845937642.db2.gz CEWAWPIIZOQPBW-NSHDSACASA-N 1 3 281.429 1.340 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001021094543 846043547 /nfs/dbraw/zinc/04/35/47/846043547.db2.gz RUVKVNSRGDHONV-MGPQQGTHSA-N 1 3 299.846 1.850 20 30 CDEDHO C[NH+](C)CC1(O)CCN(CCC(C)(C)C#N)CC1 ZINC000710561435 846390298 /nfs/dbraw/zinc/39/02/98/846390298.db2.gz JBRUYMFCXAOCJG-UHFFFAOYSA-N 1 3 253.390 1.315 20 30 CDEDHO CCCCN(C)CCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000304764877 846526227 /nfs/dbraw/zinc/52/62/27/846526227.db2.gz YPOXHAURFCMBDW-AWEZNQCLSA-N 1 3 283.464 1.107 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207695 846975895 /nfs/dbraw/zinc/97/58/95/846975895.db2.gz NQXUYLHFTATWAS-CVEARBPZSA-N 1 3 291.439 1.485 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001000992612 847043258 /nfs/dbraw/zinc/04/32/58/847043258.db2.gz NIVLGZONTRDNFI-KRWDZBQOSA-N 1 3 299.418 1.576 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080568 847561631 /nfs/dbraw/zinc/56/16/31/847561631.db2.gz FSCHYQPJKWBMDQ-HOTGVXAUSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033080568 847561641 /nfs/dbraw/zinc/56/16/41/847561641.db2.gz FSCHYQPJKWBMDQ-HOTGVXAUSA-N 1 3 291.439 1.415 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1C[NH+](C)C ZINC000876712429 847997751 /nfs/dbraw/zinc/99/77/51/847997751.db2.gz RGRSXYAIBFXXDJ-CQSZACIVSA-N 1 3 295.814 1.834 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175108539 913448607 /nfs/dbraw/zinc/44/86/07/913448607.db2.gz SIGQGNBBYVSHLE-HZPDHXFCSA-N 1 3 295.471 1.861 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673626 914122914 /nfs/dbraw/zinc/12/29/14/914122914.db2.gz JFOONWYSCSINLO-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167636690 897127803 /nfs/dbraw/zinc/12/78/03/897127803.db2.gz YAFRGUCJBKUBPZ-HNNXBMFYSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109468 906325709 /nfs/dbraw/zinc/32/57/09/906325709.db2.gz HHXLVBCDVTXTLZ-ILXRZTDVSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109468 906325725 /nfs/dbraw/zinc/32/57/25/906325725.db2.gz HHXLVBCDVTXTLZ-ILXRZTDVSA-N 1 3 279.428 1.293 20 30 CDEDHO CN(C)/C=N/c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1C#N ZINC001168230966 907951763 /nfs/dbraw/zinc/95/17/63/907951763.db2.gz IYVJDXTUAVTPIE-FLIULEQJSA-N 1 3 289.358 1.892 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001224476291 909633519 /nfs/dbraw/zinc/63/35/19/909633519.db2.gz ANYJLULHLBGCRD-MRXNPFEDSA-N 1 3 293.455 1.568 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185550628 919648964 /nfs/dbraw/zinc/64/89/64/919648964.db2.gz WCXFPORGYAXWGE-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186496317 920040518 /nfs/dbraw/zinc/04/05/18/920040518.db2.gz DICABQVGLFAPIF-CYBMUJFWSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646461 922121291 /nfs/dbraw/zinc/12/12/91/922121291.db2.gz ZIMSICAVRNGBPR-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190646461 922121293 /nfs/dbraw/zinc/12/12/93/922121293.db2.gz ZIMSICAVRNGBPR-HNNXBMFYSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407122 923083237 /nfs/dbraw/zinc/08/32/37/923083237.db2.gz RQCWJIJEJDLXFS-OAHLLOKOSA-N 1 3 293.455 1.520 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407122 923083255 /nfs/dbraw/zinc/08/32/55/923083255.db2.gz RQCWJIJEJDLXFS-OAHLLOKOSA-N 1 3 293.455 1.520 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848525 924442671 /nfs/dbraw/zinc/44/26/71/924442671.db2.gz AGJVNCIFPQAVTD-OWCLPIDISA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848525 924442674 /nfs/dbraw/zinc/44/26/74/924442674.db2.gz AGJVNCIFPQAVTD-OWCLPIDISA-N 1 3 293.455 1.872 20 30 CDEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443658 936972136 /nfs/dbraw/zinc/97/21/36/936972136.db2.gz NDIGCNVUCPHLPT-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443658 936972137 /nfs/dbraw/zinc/97/21/37/936972137.db2.gz NDIGCNVUCPHLPT-WBVHZDCISA-N 1 3 291.439 1.132 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478454 936973882 /nfs/dbraw/zinc/97/38/82/936973882.db2.gz OQXGFSXYSWHMAF-WBVHZDCISA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478454 936973883 /nfs/dbraw/zinc/97/38/83/936973883.db2.gz OQXGFSXYSWHMAF-WBVHZDCISA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687252 925253077 /nfs/dbraw/zinc/25/30/77/925253077.db2.gz LBXLAMVDXFFUDY-HNNXBMFYSA-N 1 3 285.407 1.481 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295496 925863642 /nfs/dbraw/zinc/86/36/42/925863642.db2.gz JJSZWJLAFSMIMJ-HUUCEWRRSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047841 937039527 /nfs/dbraw/zinc/03/95/27/937039527.db2.gz URSCNLOSYLTRBL-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047841 937039530 /nfs/dbraw/zinc/03/95/30/937039530.db2.gz URSCNLOSYLTRBL-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007050 929102130 /nfs/dbraw/zinc/10/21/30/929102130.db2.gz GXKMFDXJNHIZJL-PMPSAXMXSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135440290 930209741 /nfs/dbraw/zinc/20/97/41/930209741.db2.gz KDWNAGFRDOMYTK-UHFFFAOYSA-N 1 3 267.417 1.228 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467297 930216496 /nfs/dbraw/zinc/21/64/96/930216496.db2.gz FMHGSZJGVJUSAC-ZIAGYGMSSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036869 930615103 /nfs/dbraw/zinc/61/51/03/930615103.db2.gz ZKEFXBUFJSSRIM-NEPJUHHUSA-N 1 3 278.400 1.710 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900358 937686357 /nfs/dbraw/zinc/68/63/57/937686357.db2.gz OGIONYVHZOGGHB-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900358 937686359 /nfs/dbraw/zinc/68/63/59/937686359.db2.gz OGIONYVHZOGGHB-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001121921629 937890585 /nfs/dbraw/zinc/89/05/85/937890585.db2.gz SFTBRTDBAWFNCX-KBPBESRZSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001121921629 937890587 /nfs/dbraw/zinc/89/05/87/937890587.db2.gz SFTBRTDBAWFNCX-KBPBESRZSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001122065963 937902497 /nfs/dbraw/zinc/90/24/97/937902497.db2.gz IBNVLMZUTSERKK-OLZOCXBDSA-N 1 3 253.390 1.304 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426650 937931186 /nfs/dbraw/zinc/93/11/86/937931186.db2.gz LGAFKUQAVMLDFM-TUAOUCFPSA-N 1 3 251.374 1.056 20 30 CDEDHO C=CCOc1cc(C)nc(NC(=N)NCCCC[NH3+])n1 ZINC001157095993 938453390 /nfs/dbraw/zinc/45/33/90/938453390.db2.gz DUSSJWGNBPQVJC-UHFFFAOYSA-N 1 3 278.360 1.025 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485588 939567482 /nfs/dbraw/zinc/56/74/82/939567482.db2.gz ZPUGXRAGNULJJB-OAHLLOKOSA-N 1 3 291.439 1.226 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626779 939620380 /nfs/dbraw/zinc/62/03/80/939620380.db2.gz JDKOKAOHCRNIDJ-AWEZNQCLSA-N 1 3 267.417 1.533 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626990 939620854 /nfs/dbraw/zinc/62/08/54/939620854.db2.gz NOEKMDNEJFCKMR-AWEZNQCLSA-N 1 3 267.417 1.533 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429383 940753588 /nfs/dbraw/zinc/75/35/88/940753588.db2.gz FPSMQYYHZCABQH-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852143 940968715 /nfs/dbraw/zinc/96/87/15/940968715.db2.gz QZMVPYXHLHHELD-ZIAGYGMSSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C[C@H](COC)NCc1ccc(OCC[NH+](C)C)cc1 ZINC001255013049 947689722 /nfs/dbraw/zinc/68/97/22/947689722.db2.gz GUOYUOUSLCEDBH-OAHLLOKOSA-N 1 3 278.396 1.918 20 30 CDEDHO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001245980550 947876383 /nfs/dbraw/zinc/87/63/83/947876383.db2.gz BTUQLIFAZZHBTP-TWMKSMIVSA-N 1 3 298.471 1.922 20 30 CDEDHO CCCCCCCC[C@@H](O)CN[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245980550 947876390 /nfs/dbraw/zinc/87/63/90/947876390.db2.gz BTUQLIFAZZHBTP-TWMKSMIVSA-N 1 3 298.471 1.922 20 30 CDEDHO C=C[C@](C)(O)CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001252557410 951450480 /nfs/dbraw/zinc/45/04/80/951450480.db2.gz MHPNORFJIAPTQZ-HNNXBMFYSA-N 1 3 261.369 1.449 20 30 CDEDHO Cc1ccc(OC[C@H](O)C[NH2+]CC#CCN(C)C)c(C)c1 ZINC001336770382 960567986 /nfs/dbraw/zinc/56/79/86/960567986.db2.gz IGUWLZZBMRJKFT-MRXNPFEDSA-N 1 3 290.407 1.198 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001436416587 962244874 /nfs/dbraw/zinc/24/48/74/962244874.db2.gz WQWJVRTWXJDKQF-BETUJISGSA-N 1 3 287.835 1.565 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001436416587 962244894 /nfs/dbraw/zinc/24/48/94/962244894.db2.gz WQWJVRTWXJDKQF-BETUJISGSA-N 1 3 287.835 1.565 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001340788234 963127134 /nfs/dbraw/zinc/12/71/34/963127134.db2.gz YXYPBJQROADNKH-MRXNPFEDSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC001341698103 963514717 /nfs/dbraw/zinc/51/47/17/963514717.db2.gz YEGQJOMQPFIWPY-AWEZNQCLSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001341698103 963514726 /nfs/dbraw/zinc/51/47/26/963514726.db2.gz YEGQJOMQPFIWPY-AWEZNQCLSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892628 963572553 /nfs/dbraw/zinc/57/25/53/963572553.db2.gz IQCIUKZLUOACCJ-STQMWFEESA-N 1 3 265.401 1.461 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NCCN1CCC(C)CC1 ZINC001343378483 963961882 /nfs/dbraw/zinc/96/18/82/963961882.db2.gz RTWGKDCGRRSYMQ-AWEZNQCLSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001343378483 963961884 /nfs/dbraw/zinc/96/18/84/963961884.db2.gz RTWGKDCGRRSYMQ-AWEZNQCLSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407673 968264455 /nfs/dbraw/zinc/26/44/55/968264455.db2.gz FIIDTGVJLQPUIU-PESDSKBTSA-N 1 3 279.428 1.387 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562393 968709018 /nfs/dbraw/zinc/70/90/18/968709018.db2.gz LDBWXKJCDDZOHK-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411254 1163278661 /nfs/dbraw/zinc/27/86/61/1163278661.db2.gz XAWAUZGASZVSOH-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132411254 1163278667 /nfs/dbraw/zinc/27/86/67/1163278667.db2.gz XAWAUZGASZVSOH-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001677427141 1174359720 /nfs/dbraw/zinc/35/97/20/1174359720.db2.gz IKRRLMYKAYZUAA-JXQTWKCFSA-N 1 3 267.417 1.338 20 30 CDEDHO C#CC[C@]1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC001574517826 1170991032 /nfs/dbraw/zinc/99/10/32/1170991032.db2.gz QTNMUWXNRKJARV-HLLBOEOZSA-N 1 3 291.439 1.511 20 30 CDEDHO CCN(CC)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000337629331 360296199 /nfs/dbraw/zinc/29/61/99/360296199.db2.gz MTOOTASSUPHJDC-UHFFFAOYSA-N 1 3 268.405 1.022 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000072488973 369072827 /nfs/dbraw/zinc/07/28/27/369072827.db2.gz QIBDYQRHJCLXML-ZDUSSCGKSA-N 1 3 255.431 1.907 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000072488973 369072830 /nfs/dbraw/zinc/07/28/30/369072830.db2.gz QIBDYQRHJCLXML-ZDUSSCGKSA-N 1 3 255.431 1.907 20 30 CDEDHO C=CCCC[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420294163 376323317 /nfs/dbraw/zinc/32/33/17/376323317.db2.gz ASKDGBWRUQTNGN-HOTGVXAUSA-N 1 3 262.397 1.815 20 30 CDEDHO C=CCCC[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420294163 376323319 /nfs/dbraw/zinc/32/33/19/376323319.db2.gz ASKDGBWRUQTNGN-HOTGVXAUSA-N 1 3 262.397 1.815 20 30 CDEDHO C=CCCCN(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420294163 376323320 /nfs/dbraw/zinc/32/33/20/376323320.db2.gz ASKDGBWRUQTNGN-HOTGVXAUSA-N 1 3 262.397 1.815 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCNC[C@H]2CCC)CC1 ZINC000417529544 377882637 /nfs/dbraw/zinc/88/26/37/377882637.db2.gz PYTMVDSWRCXNPJ-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417535043 377893567 /nfs/dbraw/zinc/89/35/67/377893567.db2.gz IMDBLKJTWYBSQQ-CQSZACIVSA-N 1 3 280.416 1.063 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417545997 377933462 /nfs/dbraw/zinc/93/34/62/377933462.db2.gz YTYUJMXEGGSGGR-UHFFFAOYSA-N 1 3 294.443 1.468 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000417546393 377934075 /nfs/dbraw/zinc/93/40/75/377934075.db2.gz ZIHAZHCFLUGYSZ-MRXNPFEDSA-N 1 3 294.443 1.407 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000345811557 391316178 /nfs/dbraw/zinc/31/61/78/391316178.db2.gz HMTBVQCNKIATTF-OLZOCXBDSA-N 1 3 251.374 1.774 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000345811557 391316182 /nfs/dbraw/zinc/31/61/82/391316182.db2.gz HMTBVQCNKIATTF-OLZOCXBDSA-N 1 3 251.374 1.774 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000171764652 335078118 /nfs/dbraw/zinc/07/81/18/335078118.db2.gz IDKMCXUSVCTIBO-CQSZACIVSA-N 1 3 294.443 1.278 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000171764652 335078119 /nfs/dbraw/zinc/07/81/19/335078119.db2.gz IDKMCXUSVCTIBO-CQSZACIVSA-N 1 3 294.443 1.278 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000361226384 261177989 /nfs/dbraw/zinc/17/79/89/261177989.db2.gz BAGDATFJORLFKH-GOEBONIOSA-N 1 3 265.445 1.957 20 30 CDEDHO CC(C)N(C)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000104327219 261292929 /nfs/dbraw/zinc/29/29/29/261292929.db2.gz OPWHEDLFUGRMFM-UHFFFAOYSA-N 1 3 268.405 1.021 20 30 CDEDHO COc1ccc(CCNC(=[NH2+])NC[C@H](C)CN(C)C)cc1 ZINC000291965323 263126862 /nfs/dbraw/zinc/12/68/62/263126862.db2.gz SCQXBSQEMJEFRN-ZDUSSCGKSA-N 1 3 292.427 1.340 20 30 CDEDHO C[NH+]1CCC(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000570302377 294213856 /nfs/dbraw/zinc/21/38/56/294213856.db2.gz CFCLBDKPMZKOFX-UHFFFAOYSA-N 1 3 284.367 1.032 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000580309341 327779043 /nfs/dbraw/zinc/77/90/43/327779043.db2.gz RGTKBQJGRFMNHR-NWDGAFQWSA-N 1 3 268.405 1.062 20 30 CDEDHO C=CCN1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000178768914 329202498 /nfs/dbraw/zinc/20/24/98/329202498.db2.gz BRVLCVOYLFGMHD-UHFFFAOYSA-N 1 3 265.401 1.272 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262532821 330019941 /nfs/dbraw/zinc/01/99/41/330019941.db2.gz OMZMNLHBHUSVHM-XJFOESAGSA-N 1 3 294.443 1.189 20 30 CDEDHO C=CC(C)(C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423153104 330173015 /nfs/dbraw/zinc/17/30/15/330173015.db2.gz MYOSLSQRKODYJL-MGPQQGTHSA-N 1 3 252.402 1.945 20 30 CDEDHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424056887 330218435 /nfs/dbraw/zinc/21/84/35/330218435.db2.gz IQGSJNOYDLIPGE-AWEZNQCLSA-N 1 3 274.368 1.756 20 30 CDEDHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424131699 330263951 /nfs/dbraw/zinc/26/39/51/330263951.db2.gz JPXLNDJCAFFKCO-LSDHHAIUSA-N 1 3 294.443 1.636 20 30 CDEDHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424131699 330263952 /nfs/dbraw/zinc/26/39/52/330263952.db2.gz JPXLNDJCAFFKCO-LSDHHAIUSA-N 1 3 294.443 1.636 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](CCC)CC1 ZINC000491295421 332183784 /nfs/dbraw/zinc/18/37/84/332183784.db2.gz HLYRNFRGHCLYPK-UHFFFAOYSA-N 1 3 294.443 1.115 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844979 1160081745 /nfs/dbraw/zinc/08/17/45/1160081745.db2.gz FMGWVPLCLUJYGJ-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001087908713 1160284057 /nfs/dbraw/zinc/28/40/57/1160284057.db2.gz LFOAXKJRKUULHT-ILXRZTDVSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001755765115 1186060827 /nfs/dbraw/zinc/06/08/27/1186060827.db2.gz IVKCCNKXQBYCCA-CYBMUJFWSA-N 1 3 267.417 1.341 20 30 CDEDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C#N)cc2)CC1 ZINC000268443974 535165975 /nfs/dbraw/zinc/16/59/75/535165975.db2.gz SNNYCQYNYLOPBZ-UHFFFAOYSA-N 1 3 287.407 1.883 20 30 CDEDHO C#CCCCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000773341866 575802640 /nfs/dbraw/zinc/80/26/40/575802640.db2.gz SRAFFYKTHXTALN-UHFFFAOYSA-N 1 3 267.417 1.132 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948779434 613161296 /nfs/dbraw/zinc/16/12/96/613161296.db2.gz NRGXMSVIORRWST-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948779434 613161298 /nfs/dbraw/zinc/16/12/98/613161298.db2.gz NRGXMSVIORRWST-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779434 613161300 /nfs/dbraw/zinc/16/13/00/613161300.db2.gz NRGXMSVIORRWST-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779434 613161303 /nfs/dbraw/zinc/16/13/03/613161303.db2.gz NRGXMSVIORRWST-JKSUJKDBSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000981898496 613493677 /nfs/dbraw/zinc/49/36/77/613493677.db2.gz MVOQYZIDSFHVPH-OAHLLOKOSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000981898496 613493678 /nfs/dbraw/zinc/49/36/78/613493678.db2.gz MVOQYZIDSFHVPH-OAHLLOKOSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC000959848746 613564634 /nfs/dbraw/zinc/56/46/34/613564634.db2.gz KXGWHHGNIZXTOY-XUWVNRHRSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC000959848746 613564637 /nfs/dbraw/zinc/56/46/37/613564637.db2.gz KXGWHHGNIZXTOY-XUWVNRHRSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982192 613677849 /nfs/dbraw/zinc/67/78/49/613677849.db2.gz OJILWSLEIAOOMU-UHFFFAOYSA-N 1 3 291.439 1.439 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1ccc(C(=O)OC)c(C)c1 ZINC000894640100 619001583 /nfs/dbraw/zinc/00/15/83/619001583.db2.gz WRCWCRTZYCDKRM-UHFFFAOYSA-N 1 3 288.391 1.826 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1ccc(C(=O)OC)c(C)c1 ZINC000894640100 619001586 /nfs/dbraw/zinc/00/15/86/619001586.db2.gz WRCWCRTZYCDKRM-UHFFFAOYSA-N 1 3 288.391 1.826 20 30 CDEDHO C=CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)COC ZINC000903766888 626084980 /nfs/dbraw/zinc/08/49/80/626084980.db2.gz CMTDRLDASDDDKC-GJZGRUSLSA-N 1 3 282.428 1.668 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001028844979 1160081739 /nfs/dbraw/zinc/08/17/39/1160081739.db2.gz FMGWVPLCLUJYGJ-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001087908713 1160284053 /nfs/dbraw/zinc/28/40/53/1160284053.db2.gz LFOAXKJRKUULHT-ILXRZTDVSA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001732422355 1182957988 /nfs/dbraw/zinc/95/79/88/1182957988.db2.gz FNELZSCYGJFMTN-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001733869622 1183554593 /nfs/dbraw/zinc/55/45/93/1183554593.db2.gz GXKMFJYSFDLRKF-CQSZACIVSA-N 1 3 281.444 1.729 20 30 CDEDHO CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1CCC)C1CC1 ZINC001752460755 1184866759 /nfs/dbraw/zinc/86/67/59/1184866759.db2.gz RRGHBPPJKGZIFI-HZPDHXFCSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001753283755 1185141293 /nfs/dbraw/zinc/14/12/93/1185141293.db2.gz YSWYRBDJPGTRCX-AWEZNQCLSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001753756095 1185328920 /nfs/dbraw/zinc/32/89/20/1185328920.db2.gz ZRFXMVNJAQBOBB-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001754544302 1185664494 /nfs/dbraw/zinc/66/44/94/1185664494.db2.gz OKBFPJJKSSVTOE-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001755316982 1185912929 /nfs/dbraw/zinc/91/29/29/1185912929.db2.gz WNLBGEXPYIDZRE-ZDUSSCGKSA-N 1 3 269.433 1.587 20 30 CDEDHO C=CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001755316982 1185912933 /nfs/dbraw/zinc/91/29/33/1185912933.db2.gz WNLBGEXPYIDZRE-ZDUSSCGKSA-N 1 3 269.433 1.587 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000843986791 697702542 /nfs/dbraw/zinc/70/25/42/697702542.db2.gz CDOKDDGKHVRGGK-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C[C@@H]1C[C@@H](NCCNc2ccc(C#N)cn2)CC[N@@H+]1C ZINC000927164493 697892634 /nfs/dbraw/zinc/89/26/34/697892634.db2.gz LDFWGPHIASJASG-OCCSQVGLSA-N 1 3 273.384 1.437 20 30 CDEDHO 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N#Cc1cc(C(F)(F)N[C@@H](N)CCC[NH3+])cc(Cl)n1 ZINC001159785618 938752504 /nfs/dbraw/zinc/75/25/04/938752504.db2.gz QZPAKVASKOFMNT-SNVBAGLBSA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCCC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925540 939714257 /nfs/dbraw/zinc/71/42/57/939714257.db2.gz RTCUOQMMAHBUSQ-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204797652 939791649 /nfs/dbraw/zinc/79/16/49/939791649.db2.gz ASHCTCBXHBQTQW-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205561955 939903271 /nfs/dbraw/zinc/90/32/71/939903271.db2.gz MWLMGIJEHVQVJU-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928788 940113221 /nfs/dbraw/zinc/11/32/21/940113221.db2.gz JANNSEFCMDVOCU-UHFFFAOYSA-N 1 3 293.455 1.877 20 30 CDEDHO C[N@@H+]1CCC[C@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611967 940351657 /nfs/dbraw/zinc/35/16/57/940351657.db2.gz YYZMHFJKRACNRG-AAEUAGOBSA-N 1 3 266.410 1.602 20 30 CDEDHO C[N@H+]1CCC[C@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611967 940351661 /nfs/dbraw/zinc/35/16/61/940351661.db2.gz YYZMHFJKRACNRG-AAEUAGOBSA-N 1 3 266.410 1.602 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210315475 940682666 /nfs/dbraw/zinc/68/26/66/940682666.db2.gz NYXXJDYXSBXWCV-GOEBONIOSA-N 1 3 280.412 1.960 20 30 CDEDHO N#Cc1c(F)ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1F ZINC001218914557 941288103 /nfs/dbraw/zinc/28/81/03/941288103.db2.gz ZAHPLGHWLKCIAL-CYBMUJFWSA-N 1 3 294.305 1.102 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC001220868076 941479025 /nfs/dbraw/zinc/47/90/25/941479025.db2.gz ANUYTMYRXDNKCK-AWEZNQCLSA-N 1 3 263.385 1.063 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472991 941680004 /nfs/dbraw/zinc/68/00/04/941680004.db2.gz ZPVQSTKLNGHEBA-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224426753 941753381 /nfs/dbraw/zinc/75/33/81/941753381.db2.gz UJLSVJNZABIWAF-OAHLLOKOSA-N 1 3 281.444 1.587 20 30 CDEDHO CC(C)N1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254643663 947565862 /nfs/dbraw/zinc/56/58/62/947565862.db2.gz QPYTYYFYLVTSJP-CABCVRRESA-N 1 3 264.417 1.294 20 30 CDEDHO CCCCCCCC[C@@H](O)CNC[C@]12C[NH2+]C[C@H]1COC2 ZINC001245984360 947880278 /nfs/dbraw/zinc/88/02/78/947880278.db2.gz OUJAPXKVAQIQEQ-BBWFWOEESA-N 1 3 298.471 1.924 20 30 CDEDHO N#CCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001327197073 954765916 /nfs/dbraw/zinc/76/59/16/954765916.db2.gz LVVAITDUBYGJJE-ZIAGYGMSSA-N 1 3 259.353 1.948 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601556 963480023 /nfs/dbraw/zinc/48/00/23/963480023.db2.gz WXIZLPDIJGTMNX-GJZGRUSLSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001341601556 963480029 /nfs/dbraw/zinc/48/00/29/963480029.db2.gz WXIZLPDIJGTMNX-GJZGRUSLSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001521482418 970302767 /nfs/dbraw/zinc/30/27/67/970302767.db2.gz MFZUYSKJMKKCMF-IHRRRGAJSA-N 1 3 267.417 1.659 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133178663 1163596899 /nfs/dbraw/zinc/59/68/99/1163596899.db2.gz VWXHWIYSOFVRHH-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CC[C@@H](N)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001574961974 1171063903 /nfs/dbraw/zinc/06/39/03/1171063903.db2.gz CBJPTXUBWIZRIH-ZIAGYGMSSA-N 1 3 267.417 1.354 20 30 CDEDHO C[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439166 342906835 /nfs/dbraw/zinc/90/68/35/342906835.db2.gz SWJAPEODEWDZSQ-TZMCWYRMSA-N 1 3 280.416 1.244 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000236662843 358795971 /nfs/dbraw/zinc/79/59/71/358795971.db2.gz YIMBMCMBRQTKJC-GJZGRUSLSA-N 1 3 279.428 1.553 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000277496704 359562255 /nfs/dbraw/zinc/56/22/55/359562255.db2.gz OLPVJWVPVJKEMC-HUUCEWRRSA-N 1 3 281.444 1.929 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566352204 370691379 /nfs/dbraw/zinc/69/13/79/370691379.db2.gz BAYCBCGQNFEVSY-UHFFFAOYSA-N 1 3 294.443 1.407 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417533146 377866657 /nfs/dbraw/zinc/86/66/57/377866657.db2.gz UJBAFADXTHFGBB-AWEZNQCLSA-N 1 3 280.416 1.160 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417545582 377932186 /nfs/dbraw/zinc/93/21/86/377932186.db2.gz XVBWHDQTBQCZQW-AWEZNQCLSA-N 1 3 296.459 1.844 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000417061324 391341769 /nfs/dbraw/zinc/34/17/69/391341769.db2.gz KYXOBTVOOLRTKI-HUUCEWRRSA-N 1 3 294.443 1.428 20 30 CDEDHO C=C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362379634 391721715 /nfs/dbraw/zinc/72/17/15/391721715.db2.gz LXCWXCBWWMXVDU-ZDUSSCGKSA-N 1 3 294.443 1.419 20 30 CDEDHO CC(C#N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000347253814 226100620 /nfs/dbraw/zinc/10/06/20/226100620.db2.gz BQLKYADIOZBNPK-CYBMUJFWSA-N 1 3 279.384 1.249 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1 ZINC000490616344 261170240 /nfs/dbraw/zinc/17/02/40/261170240.db2.gz KKAPCPMFSVICPX-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364740256 262260924 /nfs/dbraw/zinc/26/09/24/262260924.db2.gz PYUQEWIGWXOFEB-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364740256 262260925 /nfs/dbraw/zinc/26/09/25/262260925.db2.gz PYUQEWIGWXOFEB-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO COc1ccc(CCNC(=[NH2+])NC[C@@H](C)CN(C)C)cc1 ZINC000291965321 263126801 /nfs/dbraw/zinc/12/68/01/263126801.db2.gz SCQXBSQEMJEFRN-CYBMUJFWSA-N 1 3 292.427 1.340 20 30 CDEDHO CN1CCN(CC2(C)CC[NH+](CCCC#N)CC2)CC1 ZINC000368824173 267208236 /nfs/dbraw/zinc/20/82/36/267208236.db2.gz KPQAUOLYQOURAU-UHFFFAOYSA-N 1 3 278.444 1.640 20 30 CDEDHO C[NH+](C)CCOCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353597684 289170929 /nfs/dbraw/zinc/17/09/29/289170929.db2.gz QUPFOAZOZFGWLG-INIZCTEOSA-N 1 3 273.380 1.713 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262380009 330011784 /nfs/dbraw/zinc/01/17/84/330011784.db2.gz GVPAXLXFLOHIHR-VXGBXAGGSA-N 1 3 288.386 1.810 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCSCC1 ZINC000262523728 330022955 /nfs/dbraw/zinc/02/29/55/330022955.db2.gz JRFYWYWQSGRURW-ZDUSSCGKSA-N 1 3 284.473 1.518 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2)CC1 ZINC000422854690 330157729 /nfs/dbraw/zinc/15/77/29/330157729.db2.gz BFMKSRXAQXOSKO-ZFWWWQNUSA-N 1 3 251.418 1.757 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000764311272 575898813 /nfs/dbraw/zinc/89/88/13/575898813.db2.gz SDTYBSSJIXUDQC-ZIAGYGMSSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(CN(C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000764406483 575904859 /nfs/dbraw/zinc/90/48/59/575904859.db2.gz OQZJIFHFWKQQJI-ZDUSSCGKSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC)CC[C@H]2C)CC1 ZINC000968682828 613131002 /nfs/dbraw/zinc/13/10/02/613131002.db2.gz VLDLMJKBBQWWGJ-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC)CC[C@H]2C)CC1 ZINC000968682828 613131005 /nfs/dbraw/zinc/13/10/05/613131005.db2.gz VLDLMJKBBQWWGJ-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC000961775405 613279605 /nfs/dbraw/zinc/27/96/05/613279605.db2.gz VATMYUKDVIHFHR-AIANPOQGSA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC000961775405 613279606 /nfs/dbraw/zinc/27/96/06/613279606.db2.gz VATMYUKDVIHFHR-AIANPOQGSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000971673710 613616179 /nfs/dbraw/zinc/61/61/79/613616179.db2.gz JRRWCBBSKHAWRR-HZPDHXFCSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971673710 613616182 /nfs/dbraw/zinc/61/61/82/613616182.db2.gz JRRWCBBSKHAWRR-HZPDHXFCSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891522176 617458944 /nfs/dbraw/zinc/45/89/44/617458944.db2.gz NTWMFSIDSILKNO-LSDHHAIUSA-N 1 3 292.427 1.173 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210219703 1158572015 /nfs/dbraw/zinc/57/20/15/1158572015.db2.gz TUZOYTMJBRCPBU-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899479 1163962660 /nfs/dbraw/zinc/96/26/60/1163962660.db2.gz IQSZRSQOWYZONV-UHFFFAOYSA-N 1 3 255.406 1.246 20 30 CDEDHO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001754267815 1185541460 /nfs/dbraw/zinc/54/14/60/1185541460.db2.gz YOHJTAQMSGJVOL-LSDHHAIUSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001754618163 1185686019 /nfs/dbraw/zinc/68/60/19/1185686019.db2.gz WQNKHBGDTVDWIO-AWEZNQCLSA-N 1 3 276.384 1.499 20 30 CDEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001755369047 1185930732 /nfs/dbraw/zinc/93/07/32/1185930732.db2.gz SGGSQXKSMBCYOY-OAHLLOKOSA-N 1 3 279.428 1.322 20 30 CDEDHO C[C@H]1CCC[C@](CNC(=[NH2+])N(C)C2CC2)(N(C)C)C1 ZINC000305816032 705524350 /nfs/dbraw/zinc/52/43/50/705524350.db2.gz MGEPWXQGBFERBP-WFASDCNBSA-N 1 3 266.433 1.906 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000303874506 705676846 /nfs/dbraw/zinc/67/68/46/705676846.db2.gz HFTUINDCVQAGBS-ZBFHGGJFSA-N 1 3 298.475 1.828 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022720819 705686928 /nfs/dbraw/zinc/68/69/28/705686928.db2.gz STNRVBHVSWWEOH-XEZLXBQYSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022720819 705686930 /nfs/dbraw/zinc/68/69/30/705686930.db2.gz STNRVBHVSWWEOH-XEZLXBQYSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634222 705757954 /nfs/dbraw/zinc/75/79/54/705757954.db2.gz SRQZYAVAAPLXHI-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022069599 709494341 /nfs/dbraw/zinc/49/43/41/709494341.db2.gz LSYJYXMAHWOSHI-MJBXVCDLSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022069599 709494346 /nfs/dbraw/zinc/49/43/46/709494346.db2.gz LSYJYXMAHWOSHI-MJBXVCDLSA-N 1 3 299.846 1.849 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044796225 709827910 /nfs/dbraw/zinc/82/79/10/709827910.db2.gz IKUZYDHGKDEXGF-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857281 710071059 /nfs/dbraw/zinc/07/10/59/710071059.db2.gz HOZDKOWWCCREJV-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023128605 710225409 /nfs/dbraw/zinc/22/54/09/710225409.db2.gz LUEUSTGOFVMIQF-ZNMIVQPWSA-N 1 3 279.428 1.674 20 30 CDEDHO N#CC1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925653623 710241425 /nfs/dbraw/zinc/24/14/25/710241425.db2.gz IKHAZNZCAWCQHT-KNFZOUACSA-N 1 3 259.397 1.902 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830151 710505036 /nfs/dbraw/zinc/50/50/36/710505036.db2.gz QJBUTPQHIJLXHQ-GXTWGEPZSA-N 1 3 274.368 1.061 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830151 710505041 /nfs/dbraw/zinc/50/50/41/710505041.db2.gz QJBUTPQHIJLXHQ-GXTWGEPZSA-N 1 3 274.368 1.061 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOCC1CC1 ZINC000303781669 710561971 /nfs/dbraw/zinc/56/19/71/710561971.db2.gz MOSIITAZYYPHGG-AWEZNQCLSA-N 1 3 282.432 1.192 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001037937168 710673276 /nfs/dbraw/zinc/67/32/76/710673276.db2.gz YIVHOGGRNKMGGO-TZMCWYRMSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985645651 710805718 /nfs/dbraw/zinc/80/57/18/710805718.db2.gz AUOJGKRMLUTAES-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985645651 710805722 /nfs/dbraw/zinc/80/57/22/710805722.db2.gz AUOJGKRMLUTAES-CQSZACIVSA-N 1 3 279.428 1.580 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001026540743 710823494 /nfs/dbraw/zinc/82/34/94/710823494.db2.gz XLRRILHYZKVKKH-UHFFFAOYSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001017565138 711587192 /nfs/dbraw/zinc/58/71/92/711587192.db2.gz CWBOZYDTPJQRCX-LVQVYYBASA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001017565138 711587194 /nfs/dbraw/zinc/58/71/94/711587194.db2.gz CWBOZYDTPJQRCX-LVQVYYBASA-N 1 3 291.439 1.578 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001000991660 711647966 /nfs/dbraw/zinc/64/79/66/711647966.db2.gz JMQFZDYEQIUVES-INIZCTEOSA-N 1 3 299.418 1.576 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893084 711703943 /nfs/dbraw/zinc/70/39/43/711703943.db2.gz MHWBBRIWQOSXKV-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027893084 711703944 /nfs/dbraw/zinc/70/39/44/711703944.db2.gz MHWBBRIWQOSXKV-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C[NH+](C)CC1(O)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000931480633 711802546 /nfs/dbraw/zinc/80/25/46/711802546.db2.gz HBHTXXVIBIXNKM-UHFFFAOYSA-N 1 3 287.407 1.641 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001208260910 894158078 /nfs/dbraw/zinc/15/80/78/894158078.db2.gz HLZPZTUBAJKSTG-HUUCEWRRSA-N 1 3 297.418 1.270 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104678818 898876430 /nfs/dbraw/zinc/87/64/30/898876430.db2.gz CNJNCDOUVLSJPL-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092604295 909470926 /nfs/dbraw/zinc/47/09/26/909470926.db2.gz DUHLJDNXASMKEI-OAGGEKHMSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001092604295 909470932 /nfs/dbraw/zinc/47/09/32/909470932.db2.gz DUHLJDNXASMKEI-OAGGEKHMSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094935754 911857385 /nfs/dbraw/zinc/85/73/85/911857385.db2.gz LZCPBTPJAJFFSB-ZNMIVQPWSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001120456130 911950908 /nfs/dbraw/zinc/95/09/08/911950908.db2.gz PJYRPGVLWHJTHX-AVGNSLFASA-N 1 3 253.390 1.304 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698570 915586791 /nfs/dbraw/zinc/58/67/91/915586791.db2.gz MAZGKAOEZWPUAZ-INIZCTEOSA-N 1 3 293.455 1.616 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178816221 915663675 /nfs/dbraw/zinc/66/36/75/915663675.db2.gz XOZNNCWVUJMVMM-OAHLLOKOSA-N 1 3 281.444 1.616 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226865 916203132 /nfs/dbraw/zinc/20/31/32/916203132.db2.gz QEKQOWJUUAUWEU-KBPBESRZSA-N 1 3 267.417 1.482 20 30 CDEDHO C[C@H]1C[NH+]=C(NCCCN(C)Cc2ccccc2)N1 ZINC000393944401 936673774 /nfs/dbraw/zinc/67/37/74/936673774.db2.gz NLORNAZLWDNBMD-ZDUSSCGKSA-N 1 3 260.385 1.446 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192007903 922870588 /nfs/dbraw/zinc/87/05/88/922870588.db2.gz SPZIWUMJFMVOAB-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053630 926194314 /nfs/dbraw/zinc/19/43/14/926194314.db2.gz VDICRBCDFPPCEC-HNNXBMFYSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830821 928656129 /nfs/dbraw/zinc/65/61/29/928656129.db2.gz YGKWJDFNSYIWIJ-JYJNAYRXSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001152148789 937339098 /nfs/dbraw/zinc/33/90/98/937339098.db2.gz RIAWLTILVDXXJW-KBPBESRZSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146594862 932269733 /nfs/dbraw/zinc/26/97/33/932269733.db2.gz VQOUNNSAFUTSLA-STQMWFEESA-N 1 3 255.406 1.386 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044859023 935872170 /nfs/dbraw/zinc/87/21/70/935872170.db2.gz YWTPYSQVWVAQMI-UONOGXRCSA-N 1 3 299.846 1.804 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160353032 938782069 /nfs/dbraw/zinc/78/20/69/938782069.db2.gz NOXOIEVGRNTKNU-MRXNPFEDSA-N 1 3 289.423 1.098 20 30 CDEDHO C=CCN(C(=O)[C@H](N)CCC[NH3+])C1CCCCC1 ZINC001161248290 938882870 /nfs/dbraw/zinc/88/28/70/938882870.db2.gz XFBJQAWHYWEXSJ-CYBMUJFWSA-N 1 3 253.390 1.400 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165609518 939572179 /nfs/dbraw/zinc/57/21/79/939572179.db2.gz HFMWEMSXRDDVHO-AWEZNQCLSA-N 1 3 281.444 1.635 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457683 939891228 /nfs/dbraw/zinc/89/12/28/939891228.db2.gz KTTVHLAQYNIONR-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211267474 940744668 /nfs/dbraw/zinc/74/46/68/940744668.db2.gz BCFZYKHPLKUADH-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536211 940893328 /nfs/dbraw/zinc/89/33/28/940893328.db2.gz MOCZOKGGYFYBCD-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C1CCC(C[NH3+])CC1 ZINC001220868899 941479550 /nfs/dbraw/zinc/47/95/50/941479550.db2.gz YMZIHFPFSIIAGM-NRXISQOPSA-N 1 3 279.428 1.518 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968009 941555995 /nfs/dbraw/zinc/55/59/95/941555995.db2.gz BWHAVXWWFCICMV-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968009 941555997 /nfs/dbraw/zinc/55/59/97/941555997.db2.gz BWHAVXWWFCICMV-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001263172172 943774682 /nfs/dbraw/zinc/77/46/82/943774682.db2.gz MJEDZYGLGJISAT-IHRRRGAJSA-N 1 3 267.417 1.637 20 30 CDEDHO CN1C[C@@H]2C[N@@H+](Cc3ccccc3CC#N)C[C@@H]2C1 ZINC001235527664 944187753 /nfs/dbraw/zinc/18/77/53/944187753.db2.gz KSDKLCNPEMFFNU-IYBDPMFKSA-N 1 3 255.365 1.746 20 30 CDEDHO CN1C[C@@H]2C[N@H+](Cc3ccccc3CC#N)C[C@@H]2C1 ZINC001235527664 944187757 /nfs/dbraw/zinc/18/77/57/944187757.db2.gz KSDKLCNPEMFFNU-IYBDPMFKSA-N 1 3 255.365 1.746 20 30 CDEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246079297 947930912 /nfs/dbraw/zinc/93/09/12/947930912.db2.gz DFBQQVORACCONC-UHOFOFEASA-N 1 3 291.370 1.141 20 30 CDEDHO C=C[C@H](O)CN[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001253606070 951991059 /nfs/dbraw/zinc/99/10/59/951991059.db2.gz YVVBKYKRYUVVPZ-CAOSSQGBSA-N 1 3 258.365 1.253 20 30 CDEDHO C=C[C@H](O)CN[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001253606070 951991067 /nfs/dbraw/zinc/99/10/67/951991067.db2.gz YVVBKYKRYUVVPZ-CAOSSQGBSA-N 1 3 258.365 1.253 20 30 CDEDHO C=C[C@@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001253606486 951991118 /nfs/dbraw/zinc/99/11/18/951991118.db2.gz IIPTYDXTKHIRED-MRXNPFEDSA-N 1 3 275.396 1.430 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC001333711519 958535301 /nfs/dbraw/zinc/53/53/01/958535301.db2.gz RIRPRMFKUHMRSR-AWEZNQCLSA-N 1 3 294.443 1.278 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC001333711519 958535314 /nfs/dbraw/zinc/53/53/14/958535314.db2.gz RIRPRMFKUHMRSR-AWEZNQCLSA-N 1 3 294.443 1.278 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC001341856512 963562130 /nfs/dbraw/zinc/56/21/30/963562130.db2.gz CQSISSLRHFACLG-CYBMUJFWSA-N 1 3 255.406 1.470 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1C ZINC001343303361 963947504 /nfs/dbraw/zinc/94/75/04/963947504.db2.gz WGMIQNKOLOQZOD-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100320767 968006429 /nfs/dbraw/zinc/00/64/29/968006429.db2.gz RLTXTODIPPKHKT-GPANFISMSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001521434199 970297225 /nfs/dbraw/zinc/29/72/25/970297225.db2.gz XIJCKXQHIVMKAG-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001521434199 970297230 /nfs/dbraw/zinc/29/72/30/970297230.db2.gz XIJCKXQHIVMKAG-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO CC(C)([NH3+])CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322078 342788401 /nfs/dbraw/zinc/78/84/01/342788401.db2.gz KCRPGVXFYFCXTE-UHFFFAOYSA-N 1 3 286.423 1.850 20 30 CDEDHO CC(C)(N)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322078 342788402 /nfs/dbraw/zinc/78/84/02/342788402.db2.gz KCRPGVXFYFCXTE-UHFFFAOYSA-N 1 3 286.423 1.850 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946071 343205535 /nfs/dbraw/zinc/20/55/35/343205535.db2.gz QKPITFHWIBFMFB-HIFRSBDPSA-N 1 3 292.427 1.531 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595946071 343205537 /nfs/dbraw/zinc/20/55/37/343205537.db2.gz QKPITFHWIBFMFB-HIFRSBDPSA-N 1 3 292.427 1.531 20 30 CDEDHO C=CCCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000172177651 342448820 /nfs/dbraw/zinc/44/88/20/342448820.db2.gz RSKZVJDZGMGIGR-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000598715239 343880888 /nfs/dbraw/zinc/88/08/88/343880888.db2.gz NLRXHVLOSYOTJC-IHRRRGAJSA-N 1 3 265.401 1.504 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000598715239 343880890 /nfs/dbraw/zinc/88/08/90/343880890.db2.gz NLRXHVLOSYOTJC-IHRRRGAJSA-N 1 3 265.401 1.504 20 30 CDEDHO CCN(CC)Cc1ccccc1CNC(NC)=[NH+]C ZINC000057887330 348850695 /nfs/dbraw/zinc/85/06/95/348850695.db2.gz VMIBHDSMFVOZKR-UHFFFAOYSA-N 1 3 262.401 1.823 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264069190 362957017 /nfs/dbraw/zinc/95/70/17/362957017.db2.gz FVRVXHXNZQXWJL-LSDHHAIUSA-N 1 3 290.411 1.109 20 30 CDEDHO CCc1cccc(NC(=[NH2+])NCCCN(C)CCOC)c1 ZINC000264129163 362974177 /nfs/dbraw/zinc/97/41/77/362974177.db2.gz XILQIFNEFXEHSO-UHFFFAOYSA-N 1 3 292.427 1.944 20 30 CDEDHO CC(C#N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347055643 359139318 /nfs/dbraw/zinc/13/93/18/359139318.db2.gz APNBXFODUSIXKG-DYEKYZERSA-N 1 3 251.374 1.773 20 30 CDEDHO C#CCN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122212451 360287844 /nfs/dbraw/zinc/28/78/44/360287844.db2.gz XXVZYQLPNFVKCN-UHFFFAOYSA-N 1 3 252.402 1.690 20 30 CDEDHO C#CCN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122212451 360287848 /nfs/dbraw/zinc/28/78/48/360287848.db2.gz XXVZYQLPNFVKCN-UHFFFAOYSA-N 1 3 252.402 1.690 20 30 CDEDHO CN(CC#CC[N@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000351328880 361644244 /nfs/dbraw/zinc/64/42/44/361644244.db2.gz NQCWBDWHAZLAKN-KBPBESRZSA-N 1 3 284.494 1.864 20 30 CDEDHO CN(CC#CC[N@@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000351328880 361644251 /nfs/dbraw/zinc/64/42/51/361644251.db2.gz NQCWBDWHAZLAKN-KBPBESRZSA-N 1 3 284.494 1.864 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(C)cs1 ZINC000170909493 365161317 /nfs/dbraw/zinc/16/13/17/365161317.db2.gz HZLAMOXOSLWRBK-NSHDSACASA-N 1 3 281.429 1.340 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000358813234 367906119 /nfs/dbraw/zinc/90/61/19/367906119.db2.gz DRQFISQDIBAROK-UHFFFAOYSA-N 1 3 296.459 1.666 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000358813234 367906125 /nfs/dbraw/zinc/90/61/25/367906125.db2.gz DRQFISQDIBAROK-UHFFFAOYSA-N 1 3 296.459 1.666 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC000565549986 370474727 /nfs/dbraw/zinc/47/47/27/370474727.db2.gz QJMVOJVRWAXMEE-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000420331416 376328932 /nfs/dbraw/zinc/32/89/32/376328932.db2.gz QTMVSCWFVNXRSV-KFWWJZLASA-N 1 3 277.412 1.095 20 30 CDEDHO CCc1cnc(CNC(=[NH2+])NC[C@H]2CCCN2CC)s1 ZINC000267421348 391193851 /nfs/dbraw/zinc/19/38/51/391193851.db2.gz KSUBJQLCWHKLII-LLVKDONJSA-N 1 3 295.456 1.594 20 30 CDEDHO Cn1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000459796050 392507306 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ZINC000424135423 330270422 /nfs/dbraw/zinc/27/04/22/330270422.db2.gz MGVAFUSDXIOCJU-GJZGRUSLSA-N 1 3 288.395 1.427 20 30 CDEDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424141682 330283767 /nfs/dbraw/zinc/28/37/67/330283767.db2.gz HLGIVOLJMJWRGE-ZIAGYGMSSA-N 1 3 280.416 1.388 20 30 CDEDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CCCC#N ZINC000424141682 330283768 /nfs/dbraw/zinc/28/37/68/330283768.db2.gz HLGIVOLJMJWRGE-ZIAGYGMSSA-N 1 3 280.416 1.388 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)[C@H](C)C1 ZINC000424148398 330295117 /nfs/dbraw/zinc/29/51/17/330295117.db2.gz UIOMWHMAGOXNPJ-MCIONIFRSA-N 1 3 280.416 1.196 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)[C@H](C)C1 ZINC000424148398 330295118 /nfs/dbraw/zinc/29/51/18/330295118.db2.gz UIOMWHMAGOXNPJ-MCIONIFRSA-N 1 3 280.416 1.196 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000490616090 332095898 /nfs/dbraw/zinc/09/58/98/332095898.db2.gz IFUVJDIRMDMNMA-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO 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C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001753794055 1185337654 /nfs/dbraw/zinc/33/76/54/1185337654.db2.gz JXIQMVHMJOJOOZ-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794833 1185734153 /nfs/dbraw/zinc/73/41/53/1185734153.db2.gz HXOOSFHCOVDXHC-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001755551401 1185987904 /nfs/dbraw/zinc/98/79/04/1185987904.db2.gz VFPQGXDGIVSOCM-HZPDHXFCSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846302 1163930724 /nfs/dbraw/zinc/93/07/24/1163930724.db2.gz YFZCNPPPCSUDCY-HNNXBMFYSA-N 1 3 281.444 1.780 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829439 711967924 /nfs/dbraw/zinc/96/79/24/711967924.db2.gz FSJVSJPYLDDZLF-DZGCQCFKSA-N 1 3 288.395 1.451 20 30 CDEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036829439 711967927 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018267229 712411445 /nfs/dbraw/zinc/41/14/45/712411445.db2.gz ZWQAFHTZTRIAQK-SOUVJXGZSA-N 1 3 277.412 1.189 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018267229 712411446 /nfs/dbraw/zinc/41/14/46/712411446.db2.gz ZWQAFHTZTRIAQK-SOUVJXGZSA-N 1 3 277.412 1.189 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000262011265 712712632 /nfs/dbraw/zinc/71/26/32/712712632.db2.gz UIDHZJQYSSXBMM-QWHCGFSZSA-N 1 3 254.422 1.810 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184574912 1164359662 /nfs/dbraw/zinc/35/96/62/1164359662.db2.gz AGYKWCGJMOVUQA-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255750 913732965 /nfs/dbraw/zinc/73/29/65/913732965.db2.gz GIIWHKLKRZCNIS-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176953922 914393316 /nfs/dbraw/zinc/39/33/16/914393316.db2.gz UDQQUJPWZSAAPE-UHFFFAOYSA-N 1 3 287.407 1.481 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573785 905700105 /nfs/dbraw/zinc/70/01/05/905700105.db2.gz DTVKOGQMUIFMLD-OWCLPIDISA-N 1 3 291.439 1.483 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327598 906433378 /nfs/dbraw/zinc/43/33/78/906433378.db2.gz JLCZWXHKTNAQJO-CQSZACIVSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327598 906433389 /nfs/dbraw/zinc/43/33/89/906433389.db2.gz JLCZWXHKTNAQJO-CQSZACIVSA-N 1 3 265.401 1.189 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468579 906685040 /nfs/dbraw/zinc/68/50/40/906685040.db2.gz XDWIJTQLWWLYNP-UHFFFAOYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468579 906685046 /nfs/dbraw/zinc/68/50/46/906685046.db2.gz XDWIJTQLWWLYNP-UHFFFAOYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180124336 916166625 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C=CCN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001084912 936546870 /nfs/dbraw/zinc/54/68/70/936546870.db2.gz DIGGMCFHDHIPNI-HOCLYGCPSA-N 1 3 291.439 1.651 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185347705 919538099 /nfs/dbraw/zinc/53/80/99/919538099.db2.gz KNBXHTFGVXAEQW-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185548283 919648984 /nfs/dbraw/zinc/64/89/84/919648984.db2.gz LHLIQWBXXMSKBX-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999833665 919795661 /nfs/dbraw/zinc/79/56/61/919795661.db2.gz OUWPUKSPDBKNOX-UHFFFAOYSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190654649 922125090 /nfs/dbraw/zinc/12/50/90/922125090.db2.gz KRXKPIQSNMZZEP-JKSUJKDBSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190654649 922125096 /nfs/dbraw/zinc/12/50/96/922125096.db2.gz KRXKPIQSNMZZEP-JKSUJKDBSA-N 1 3 293.455 1.826 20 30 CDEDHO C#CCCN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885957 925257345 /nfs/dbraw/zinc/25/73/45/925257345.db2.gz LUENGKQKHCQBQG-UHFFFAOYSA-N 1 3 279.428 1.276 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102371707 937054931 /nfs/dbraw/zinc/05/49/31/937054931.db2.gz PRBKNEKFDANGRD-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102371707 937054935 /nfs/dbraw/zinc/05/49/35/937054935.db2.gz PRBKNEKFDANGRD-ARFHVFGLSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197739 926812676 /nfs/dbraw/zinc/81/26/76/926812676.db2.gz YPWWUTNRFFEKMT-DEQVHRJGSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086197739 926812684 /nfs/dbraw/zinc/81/26/84/926812684.db2.gz YPWWUTNRFFEKMT-DEQVHRJGSA-N 1 3 299.846 1.421 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550530 937145974 /nfs/dbraw/zinc/14/59/74/937145974.db2.gz VBWRLYVFQMRVOW-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550530 937145976 /nfs/dbraw/zinc/14/59/76/937145976.db2.gz VBWRLYVFQMRVOW-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467295 930216231 /nfs/dbraw/zinc/21/62/31/930216231.db2.gz FMHGSZJGVJUSAC-KGLIPLIRSA-N 1 3 279.428 1.224 20 30 CDEDHO CCCCCCCC[C@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021987 930871650 /nfs/dbraw/zinc/87/16/50/930871650.db2.gz NXGKSOJWPGLHAJ-SOUVJXGZSA-N 1 3 272.433 1.349 20 30 CDEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]3CC2)cc1C#N ZINC001275044406 931641327 /nfs/dbraw/zinc/64/13/27/931641327.db2.gz AJLHFTAHXRRYED-GASCZTMLSA-N 1 3 272.396 1.670 20 30 CDEDHO Cn1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]3CC2)cc1C#N ZINC001275044406 931641330 /nfs/dbraw/zinc/64/13/30/931641330.db2.gz AJLHFTAHXRRYED-GASCZTMLSA-N 1 3 272.396 1.670 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146591891 932268569 /nfs/dbraw/zinc/26/85/69/932268569.db2.gz HZYXBFIOIYJYRL-KBPBESRZSA-N 1 3 269.433 1.776 20 30 CDEDHO CC#CCNCCNC(=O)CCC[NH+](CCC)CCC ZINC001147449369 932517233 /nfs/dbraw/zinc/51/72/33/932517233.db2.gz PZMIGDZBCUYTHW-UHFFFAOYSA-N 1 3 281.444 1.618 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC001149124958 932561704 /nfs/dbraw/zinc/56/17/04/932561704.db2.gz YONCVOWQWRHIHB-UHFFFAOYSA-N 1 3 278.400 1.713 20 30 CDEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092021635 932911089 /nfs/dbraw/zinc/91/10/89/932911089.db2.gz FGUYUZSORLXJOQ-VYDXJSESSA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092021635 932911096 /nfs/dbraw/zinc/91/10/96/932911096.db2.gz FGUYUZSORLXJOQ-VYDXJSESSA-N 1 3 291.439 1.130 20 30 CDEDHO CCNC(NC[C@H](C)N1CCCC[C@H]1C)=[NH+]CC ZINC000303384114 935029809 /nfs/dbraw/zinc/02/98/09/935029809.db2.gz UJKJPHITIXXTKP-OLZOCXBDSA-N 1 3 254.422 1.824 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001037847583 935302137 /nfs/dbraw/zinc/30/21/37/935302137.db2.gz AMBZNZKABLQYJB-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014475661 935539187 /nfs/dbraw/zinc/53/91/87/935539187.db2.gz MIIRGOCRAAQKIS-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014475661 935539192 /nfs/dbraw/zinc/53/91/92/935539192.db2.gz MIIRGOCRAAQKIS-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCO[C@H](C)C#N)C1 ZINC000801925183 936016546 /nfs/dbraw/zinc/01/65/46/936016546.db2.gz ZVGUGTMVTCODGE-HUUCEWRRSA-N 1 3 283.416 1.348 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC001122127251 937907139 /nfs/dbraw/zinc/90/71/39/937907139.db2.gz PSVHCAFOCVOQNP-CYBMUJFWSA-N 1 3 253.390 1.176 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360723 938782154 /nfs/dbraw/zinc/78/21/54/938782154.db2.gz VVXFIFSJLJKJQG-UHFFFAOYSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360723 938782156 /nfs/dbraw/zinc/78/21/56/938782156.db2.gz VVXFIFSJLJKJQG-UHFFFAOYSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C1CCCCC1 ZINC001161247787 938881850 /nfs/dbraw/zinc/88/18/50/938881850.db2.gz KFLUBKIRMYKPEB-HNNXBMFYSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504107 938907283 /nfs/dbraw/zinc/90/72/83/938907283.db2.gz BQIBXNJMUKUASO-UHFFFAOYSA-N 1 3 279.428 1.653 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)CN(CC)CC)CC1 ZINC001161504107 938907285 /nfs/dbraw/zinc/90/72/85/938907285.db2.gz BQIBXNJMUKUASO-UHFFFAOYSA-N 1 3 279.428 1.653 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485367 939567442 /nfs/dbraw/zinc/56/74/42/939567442.db2.gz TWRITBCTJNHVMA-HNNXBMFYSA-N 1 3 291.439 1.226 20 30 CDEDHO N#Cc1cc(CN2CCC[C@](O)(C[NH3+])CC2)ccc1F ZINC001205208210 939835426 /nfs/dbraw/zinc/83/54/26/939835426.db2.gz BYVZLEVQAFIQBT-OAHLLOKOSA-N 1 3 277.343 1.373 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288741 940012124 /nfs/dbraw/zinc/01/21/24/940012124.db2.gz YOFFEAZQISWZEG-UHFFFAOYSA-N 1 3 293.455 1.733 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208445006 940331182 /nfs/dbraw/zinc/33/11/82/940331182.db2.gz NTNIVSDTHWRHSW-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571709 940895001 /nfs/dbraw/zinc/89/50/01/940895001.db2.gz UZBVWSJYKJKXNG-MCIONIFRSA-N 1 3 267.417 1.339 20 30 CDEDHO N#Cc1cc(F)c(NC(=O)[C@@H](N)CCCC[NH3+])c(Cl)c1 ZINC001218995889 941299730 /nfs/dbraw/zinc/29/97/30/941299730.db2.gz TVDHHVKXLBQWNY-NSHDSACASA-N 1 3 298.749 1.746 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226823786 942077439 /nfs/dbraw/zinc/07/74/39/942077439.db2.gz DTQVUZSWCMPHLQ-HUUCEWRRSA-N 1 3 279.428 1.674 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317160857 942400250 /nfs/dbraw/zinc/40/02/50/942400250.db2.gz CDXITKRFCFFAOV-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001263149306 943764563 /nfs/dbraw/zinc/76/45/63/943764563.db2.gz APVGITATJLRIPK-IHRRRGAJSA-N 1 3 267.417 1.646 20 30 CDEDHO C=C(C)C(=O)NCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256562047 948344037 /nfs/dbraw/zinc/34/40/37/948344037.db2.gz VAYQQUBEVRPOEN-UHFFFAOYSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCOC[C@H](O)CN[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252499234 951378761 /nfs/dbraw/zinc/37/87/61/951378761.db2.gz XNHJHTWNYWEOMX-RRFJBIMHSA-N 1 3 270.417 1.258 20 30 CDEDHO C=CCOC[C@H](O)CN[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001252499234 951378777 /nfs/dbraw/zinc/37/87/77/951378777.db2.gz XNHJHTWNYWEOMX-RRFJBIMHSA-N 1 3 270.417 1.258 20 30 CDEDHO C=C[C@H](COC)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329941210 956192678 /nfs/dbraw/zinc/19/26/78/956192678.db2.gz NTSVEQPWNYNWMM-TZMCWYRMSA-N 1 3 254.374 1.030 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001319107290 958376844 /nfs/dbraw/zinc/37/68/44/958376844.db2.gz XHGOXSJOAGVMMH-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2cccc(F)c2)CC1 ZINC001335989025 960141281 /nfs/dbraw/zinc/14/12/81/960141281.db2.gz YLXIGTKOHWEJPI-KRWDZBQOSA-N 1 3 290.382 1.936 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001495382064 972484687 /nfs/dbraw/zinc/48/46/87/972484687.db2.gz ZMODCQOWJSSKBN-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC001341453091 963423116 /nfs/dbraw/zinc/42/31/16/963423116.db2.gz VXSAOFSGSFWDPO-OLZOCXBDSA-N 1 3 253.390 1.126 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC001341488687 963435224 /nfs/dbraw/zinc/43/52/24/963435224.db2.gz NLMGKQFGFCATFF-QWHCGFSZSA-N 1 3 257.422 1.870 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132794828 1163482789 /nfs/dbraw/zinc/48/27/89/1163482789.db2.gz HFZMXGXPGUHWET-MRXNPFEDSA-N 1 3 291.439 1.513 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794828 1163482795 /nfs/dbraw/zinc/48/27/95/1163482795.db2.gz HFZMXGXPGUHWET-MRXNPFEDSA-N 1 3 291.439 1.513 20 30 CDEDHO C=CCN1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000572718496 342450279 /nfs/dbraw/zinc/45/02/79/342450279.db2.gz GGJIZQZUGVBOIQ-UHFFFAOYSA-N 1 3 253.390 1.141 20 30 CDEDHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1(C)C ZINC000442869149 362098720 /nfs/dbraw/zinc/09/87/20/362098720.db2.gz IKFBLPRXSZXVDN-LSDHHAIUSA-N 1 3 278.444 1.684 20 30 CDEDHO N#Cc1ccc(CCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000595892189 343182013 /nfs/dbraw/zinc/18/20/13/343182013.db2.gz LVWLEMSOEOPSKT-KRWDZBQOSA-N 1 3 284.407 1.080 20 30 CDEDHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596453 343841112 /nfs/dbraw/zinc/84/11/12/343841112.db2.gz RQPGVSJJRKFFIB-ZIAGYGMSSA-N 1 3 267.417 1.561 20 30 CDEDHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598596453 343841113 /nfs/dbraw/zinc/84/11/13/343841113.db2.gz RQPGVSJJRKFFIB-ZIAGYGMSSA-N 1 3 267.417 1.561 20 30 CDEDHO CNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264076406 362959298 /nfs/dbraw/zinc/95/92/98/362959298.db2.gz FVRMOLINASLXFR-NSHDSACASA-N 1 3 266.414 1.494 20 30 CDEDHO C=CCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420976391 376543988 /nfs/dbraw/zinc/54/39/88/376543988.db2.gz GYFGUACCHDXXLQ-UHFFFAOYSA-N 1 3 251.418 1.664 20 30 CDEDHO C=CCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420976391 376543994 /nfs/dbraw/zinc/54/39/94/376543994.db2.gz GYFGUACCHDXXLQ-UHFFFAOYSA-N 1 3 251.418 1.664 20 30 CDEDHO C=CCN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976391 376543997 /nfs/dbraw/zinc/54/39/97/376543997.db2.gz GYFGUACCHDXXLQ-UHFFFAOYSA-N 1 3 251.418 1.664 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237966840 390895561 /nfs/dbraw/zinc/89/55/61/390895561.db2.gz DJDPYDQHVVAPEE-CHWSQXEVSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426422 391299358 /nfs/dbraw/zinc/29/93/58/391299358.db2.gz LTIXMJNNUMGXEL-LSDHHAIUSA-N 1 3 252.402 1.731 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426422 391299360 /nfs/dbraw/zinc/29/93/60/391299360.db2.gz LTIXMJNNUMGXEL-LSDHHAIUSA-N 1 3 252.402 1.731 20 30 CDEDHO N#Cc1ccc(CN2CCC(NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423233418 392960141 /nfs/dbraw/zinc/96/01/41/392960141.db2.gz JVLKDZXKIIYJJR-GOSISDBHSA-N 1 3 298.434 1.864 20 30 CDEDHO C=CCOc1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000414862762 263076032 /nfs/dbraw/zinc/07/60/32/263076032.db2.gz HVCFEOYMHGKWLA-UHFFFAOYSA-N 1 3 275.396 1.246 20 30 CDEDHO C=CC[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384368 424293993 /nfs/dbraw/zinc/29/39/93/424293993.db2.gz INKLJSFKTBJPLQ-CABCVRRESA-N 1 3 254.418 1.976 20 30 CDEDHO C=CC[C@@H]1CCCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000661384368 424293998 /nfs/dbraw/zinc/29/39/98/424293998.db2.gz INKLJSFKTBJPLQ-CABCVRRESA-N 1 3 254.418 1.976 20 30 CDEDHO CC#CCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368139094 267147377 /nfs/dbraw/zinc/14/73/77/267147377.db2.gz NHCDFLQDEMPDCL-HZPDHXFCSA-N 1 3 263.429 1.358 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000112309076 328397074 /nfs/dbraw/zinc/39/70/74/328397074.db2.gz PTEAGGALUOZPOT-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCCC)CC1 ZINC000112309076 328397076 /nfs/dbraw/zinc/39/70/76/328397076.db2.gz PTEAGGALUOZPOT-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO N#Cc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000583997679 325283437 /nfs/dbraw/zinc/28/34/37/325283437.db2.gz PFYSLERWKQJHGN-SJORKVTESA-N 1 3 285.391 1.886 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC000178114839 327286123 /nfs/dbraw/zinc/28/61/23/327286123.db2.gz PGHYRAXXOYESDY-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022713990 1159123319 /nfs/dbraw/zinc/12/33/19/1159123319.db2.gz OHLCXXSUZABJJP-ZENOOKHLSA-N 1 3 297.418 1.622 20 30 CDEDHO C[C@H]1C[C@H](C)CN(C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262475919 330016114 /nfs/dbraw/zinc/01/61/14/330016114.db2.gz CBOFLQULDPSJJG-STQMWFEESA-N 1 3 266.433 1.634 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000262776314 330030851 /nfs/dbraw/zinc/03/08/51/330030851.db2.gz JHTYPIVQIXKEIS-YMAMQOFZSA-N 1 3 291.443 1.705 20 30 CDEDHO C=C(C)[C@H]1OCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098863 330169864 /nfs/dbraw/zinc/16/98/64/330169864.db2.gz SSNMSCQECJIJTO-DFKRWLTFSA-N 1 3 250.386 1.840 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424155649 330303364 /nfs/dbraw/zinc/30/33/64/330303364.db2.gz NJAZQUOFQCXWKX-JSGCOSHPSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000424155649 330303365 /nfs/dbraw/zinc/30/33/65/330303365.db2.gz NJAZQUOFQCXWKX-JSGCOSHPSA-N 1 3 278.400 1.141 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000165198447 331306050 /nfs/dbraw/zinc/30/60/50/331306050.db2.gz UQRWDVGNXKEVSY-AWEZNQCLSA-N 1 3 281.444 1.786 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000491795747 332354880 /nfs/dbraw/zinc/35/48/80/332354880.db2.gz WVKHCFMIDPKDDT-LSDHHAIUSA-N 1 3 294.443 1.114 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089559417 1161219227 /nfs/dbraw/zinc/21/92/27/1161219227.db2.gz OIJFYGPKIJCMDF-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559417 1161219228 /nfs/dbraw/zinc/21/92/28/1161219228.db2.gz OIJFYGPKIJCMDF-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334905503 526429627 /nfs/dbraw/zinc/42/96/27/526429627.db2.gz BNUBBIJYKISKNT-MRXNPFEDSA-N 1 3 292.427 1.032 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000334906756 526431369 /nfs/dbraw/zinc/43/13/69/526431369.db2.gz LSUGYCGMWPSFBU-STQMWFEESA-N 1 3 280.416 1.029 20 30 CDEDHO CN1CCC[N@H+](CCCNCc2ccc(C#N)o2)CC1 ZINC000742370361 576597889 /nfs/dbraw/zinc/59/78/89/576597889.db2.gz NQAOWNHEKXNHGX-UHFFFAOYSA-N 1 3 276.384 1.268 20 30 CDEDHO CN1CCC[N@@H+](CCCNCc2ccc(C#N)o2)CC1 ZINC000742370361 576597890 /nfs/dbraw/zinc/59/78/90/576597890.db2.gz NQAOWNHEKXNHGX-UHFFFAOYSA-N 1 3 276.384 1.268 20 30 CDEDHO C[N@@H+]1CCCN(CCCNCc2ccc(C#N)o2)CC1 ZINC000742370361 576597891 /nfs/dbraw/zinc/59/78/91/576597891.db2.gz NQAOWNHEKXNHGX-UHFFFAOYSA-N 1 3 276.384 1.268 20 30 CDEDHO C[N@H+]1CCCN(CCCNCc2ccc(C#N)o2)CC1 ZINC000742370361 576597892 /nfs/dbraw/zinc/59/78/92/576597892.db2.gz NQAOWNHEKXNHGX-UHFFFAOYSA-N 1 3 276.384 1.268 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812970 613008297 /nfs/dbraw/zinc/00/82/97/613008297.db2.gz PMHFTBMBUJDIPS-HNNXBMFYSA-N 1 3 288.395 1.288 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000948812970 613008298 /nfs/dbraw/zinc/00/82/98/613008298.db2.gz PMHFTBMBUJDIPS-HNNXBMFYSA-N 1 3 288.395 1.288 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972331849 613628118 /nfs/dbraw/zinc/62/81/18/613628118.db2.gz MRGREAROTZMWRO-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972331849 613628119 /nfs/dbraw/zinc/62/81/19/613628119.db2.gz MRGREAROTZMWRO-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969115850 613685691 /nfs/dbraw/zinc/68/56/91/613685691.db2.gz VSXYZPXPYISCRS-HNNXBMFYSA-N 1 3 291.439 1.629 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775334 613704035 /nfs/dbraw/zinc/70/40/35/613704035.db2.gz GEKTYDANRIHGPT-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775334 613704037 /nfs/dbraw/zinc/70/40/37/613704037.db2.gz GEKTYDANRIHGPT-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977218623 613826423 /nfs/dbraw/zinc/82/64/23/613826423.db2.gz ZQWJCQKCBZEVFK-HNNXBMFYSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232809 1158545811 /nfs/dbraw/zinc/54/58/11/1158545811.db2.gz QSFAVSDWDHEROG-CQSZACIVSA-N 1 3 279.428 1.390 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158128596 1162732112 /nfs/dbraw/zinc/73/21/12/1162732112.db2.gz GSNDRUAZQLEJGF-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158128596 1162732118 /nfs/dbraw/zinc/73/21/18/1162732118.db2.gz GSNDRUAZQLEJGF-HUUCEWRRSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134765999 1164101405 /nfs/dbraw/zinc/10/14/05/1164101405.db2.gz CEVGWSIVFZZDAF-OAHLLOKOSA-N 1 3 297.443 1.158 20 30 CDEDHO C=CC1(CC(=O)NC[C@@H]2CCN2C(C)(C)C)C[NH2+]C1 ZINC001574879428 1171034548 /nfs/dbraw/zinc/03/45/48/1171034548.db2.gz DEZHTSWTYLNLMW-LBPRGKRZSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752807458 1184919303 /nfs/dbraw/zinc/91/93/03/1184919303.db2.gz HIEJFJJTHGNOGT-CYBMUJFWSA-N 1 3 276.384 1.357 20 30 CDEDHO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001752970713 1184980107 /nfs/dbraw/zinc/98/01/07/1184980107.db2.gz DUWCMDOLMGAFFY-UONOGXRCSA-N 1 3 277.412 1.121 20 30 CDEDHO C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001753487933 1185233011 /nfs/dbraw/zinc/23/30/11/1185233011.db2.gz MWZAHMITBMELPA-GJZGRUSLSA-N 1 3 281.444 1.921 20 30 CDEDHO C#CCNCCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754076255 1185450989 /nfs/dbraw/zinc/45/09/89/1185450989.db2.gz XRORZSKZQGLCOH-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754253265 1185531176 /nfs/dbraw/zinc/53/11/76/1185531176.db2.gz FLSBTURYMHBIBO-NVXWUHKLSA-N 1 3 299.418 1.084 20 30 CDEDHO C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754253265 1185531181 /nfs/dbraw/zinc/53/11/81/1185531181.db2.gz FLSBTURYMHBIBO-NVXWUHKLSA-N 1 3 299.418 1.084 20 30 CDEDHO C=C(C)C[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001754406456 1185611052 /nfs/dbraw/zinc/61/10/52/1185611052.db2.gz YPUUVYWFNDVQHH-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001754662096 1185693868 /nfs/dbraw/zinc/69/38/68/1185693868.db2.gz QUVZINDMJJXJKU-QGZVFWFLSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001754817980 1185740265 /nfs/dbraw/zinc/74/02/65/1185740265.db2.gz OUONUFHEHCDDRZ-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001755686723 1186038453 /nfs/dbraw/zinc/03/84/53/1186038453.db2.gz OZORCZPYLXKRAT-GXTWGEPZSA-N 1 3 276.384 1.497 20 30 CDEDHO CC#CC[NH2+]C[C@@H](NC(=O)CN(C)CCC)C(C)(C)C ZINC001755835962 1186084977 /nfs/dbraw/zinc/08/49/77/1186084977.db2.gz JZOQXIVGQRPDIT-CQSZACIVSA-N 1 3 281.444 1.472 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856503 1163933985 /nfs/dbraw/zinc/93/39/85/1163933985.db2.gz HKPRJGVKJNSWKY-MRXNPFEDSA-N 1 3 299.434 1.871 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175262444 1164303379 /nfs/dbraw/zinc/30/33/79/1164303379.db2.gz HCFFYGIUDYUNIC-LSDHHAIUSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001214611266 1164306594 /nfs/dbraw/zinc/30/65/94/1164306594.db2.gz XDSWEQUOCUVHEO-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526755 1165007286 /nfs/dbraw/zinc/00/72/86/1165007286.db2.gz OKLDYSNJECLSGZ-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127327371 913879537 /nfs/dbraw/zinc/87/95/37/913879537.db2.gz KKWLHPHTKHEQML-UHFFFAOYSA-N 1 3 267.417 1.533 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176752969 914259041 /nfs/dbraw/zinc/25/90/41/914259041.db2.gz BSLVYQXZRRFYDH-CQSZACIVSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001019817825 899212859 /nfs/dbraw/zinc/21/28/59/899212859.db2.gz FXTHSGGKKMJWDK-HNNXBMFYSA-N 1 3 287.407 1.738 20 30 CDEDHO N#Cc1ccnc(NC(=N)NCCCC[NH3+])c1Cl ZINC001167880216 901620674 /nfs/dbraw/zinc/62/06/74/901620674.db2.gz CBAOZYGEVVOIRZ-UHFFFAOYSA-N 1 3 266.736 1.282 20 30 CDEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552435 902593610 /nfs/dbraw/zinc/59/36/10/902593610.db2.gz MXMSJVOIFBONIK-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552435 902593623 /nfs/dbraw/zinc/59/36/23/902593623.db2.gz MXMSJVOIFBONIK-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179982709 916098035 /nfs/dbraw/zinc/09/80/35/916098035.db2.gz DGVAFQDDLYZOOE-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000261975381 904652259 /nfs/dbraw/zinc/65/22/59/904652259.db2.gz FSCXXZAXOBTTGV-DZGCQCFKSA-N 1 3 266.433 1.977 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001052956571 936405764 /nfs/dbraw/zinc/40/57/64/936405764.db2.gz VAOHHTOVLYXBKP-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001052956571 936405767 /nfs/dbraw/zinc/40/57/67/936405767.db2.gz VAOHHTOVLYXBKP-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040454 917894152 /nfs/dbraw/zinc/89/41/52/917894152.db2.gz FCKXJIAMKPYMMY-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996965195 918756890 /nfs/dbraw/zinc/75/68/90/918756890.db2.gz MYSPEZSAZZGUMS-OAHLLOKOSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152674 921937244 /nfs/dbraw/zinc/93/72/44/921937244.db2.gz QUMRGZNMMCNSQY-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033152674 921937256 /nfs/dbraw/zinc/93/72/56/921937256.db2.gz QUMRGZNMMCNSQY-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001033365641 922182676 /nfs/dbraw/zinc/18/26/76/922182676.db2.gz JFQNXBAONNFWTM-AWEZNQCLSA-N 1 3 291.395 1.674 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001033365641 922182688 /nfs/dbraw/zinc/18/26/88/922182688.db2.gz JFQNXBAONNFWTM-AWEZNQCLSA-N 1 3 291.395 1.674 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582764 922267241 /nfs/dbraw/zinc/26/72/41/922267241.db2.gz QMEOWEMTAIARLD-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582764 922267259 /nfs/dbraw/zinc/26/72/59/922267259.db2.gz QMEOWEMTAIARLD-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036227443 923124607 /nfs/dbraw/zinc/12/46/07/923124607.db2.gz XTYNNMPNJSCTIE-JKSUJKDBSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295951 924169502 /nfs/dbraw/zinc/16/95/02/924169502.db2.gz SBCFMIZNFGTCPG-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295951 924169510 /nfs/dbraw/zinc/16/95/10/924169510.db2.gz SBCFMIZNFGTCPG-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001079681335 924403856 /nfs/dbraw/zinc/40/38/56/924403856.db2.gz HRGWYFSCGWGEEO-OAGGEKHMSA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001079681335 924403859 /nfs/dbraw/zinc/40/38/59/924403859.db2.gz HRGWYFSCGWGEEO-OAGGEKHMSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086668 937121019 /nfs/dbraw/zinc/12/10/19/937121019.db2.gz MNQQAAVDDSJUCG-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086668 937121020 /nfs/dbraw/zinc/12/10/20/937121020.db2.gz MNQQAAVDDSJUCG-FVQBIDKESA-N 1 3 293.455 1.587 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089963 937122005 /nfs/dbraw/zinc/12/20/05/937122005.db2.gz HRFLNGMDZVJFFA-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089963 937122006 /nfs/dbraw/zinc/12/20/06/937122006.db2.gz HRFLNGMDZVJFFA-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857234858 928684761 /nfs/dbraw/zinc/68/47/61/928684761.db2.gz NULOBDMDIJTAPW-MGPQQGTHSA-N 1 3 267.417 1.750 20 30 CDEDHO C=CCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000883176053 930159233 /nfs/dbraw/zinc/15/92/33/930159233.db2.gz UTVKVIMTFAEMBN-PMPSAXMXSA-N 1 3 282.428 1.547 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475739 930226882 /nfs/dbraw/zinc/22/68/82/930226882.db2.gz FVAPXOWTMJGHIH-ZIAGYGMSSA-N 1 3 281.444 1.470 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115732905 937416755 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ZINC001148638724 932767834 /nfs/dbraw/zinc/76/78/34/932767834.db2.gz OXJXJMHVJUHSQL-CYBMUJFWSA-N 1 3 255.406 1.389 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255640 937653568 /nfs/dbraw/zinc/65/35/68/937653568.db2.gz WRGDHPLMYINRGZ-UONOGXRCSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255640 937653569 /nfs/dbraw/zinc/65/35/69/937653569.db2.gz WRGDHPLMYINRGZ-UONOGXRCSA-N 1 3 267.417 1.341 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038622266 935414858 /nfs/dbraw/zinc/41/48/58/935414858.db2.gz IPQNYPFAQVHYKE-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038622266 935414860 /nfs/dbraw/zinc/41/48/60/935414860.db2.gz IPQNYPFAQVHYKE-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632227 935528316 /nfs/dbraw/zinc/52/83/16/935528316.db2.gz XAXPBZGAWBSOJQ-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038632227 935528320 /nfs/dbraw/zinc/52/83/20/935528320.db2.gz XAXPBZGAWBSOJQ-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377690 935798622 /nfs/dbraw/zinc/79/86/22/935798622.db2.gz DLNINEVTCCWTHT-DOTOQJQBSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041377690 935798625 /nfs/dbraw/zinc/79/86/25/935798625.db2.gz DLNINEVTCCWTHT-DOTOQJQBSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045556348 935886502 /nfs/dbraw/zinc/88/65/02/935886502.db2.gz CVSDJYRBMGVIGO-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045556348 935886506 /nfs/dbraw/zinc/88/65/06/935886506.db2.gz CVSDJYRBMGVIGO-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875659 936085973 /nfs/dbraw/zinc/08/59/73/936085973.db2.gz HJWSQHFHUCPWTD-XHSDSOJGSA-N 1 3 293.455 1.539 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875659 936085976 /nfs/dbraw/zinc/08/59/76/936085976.db2.gz HJWSQHFHUCPWTD-XHSDSOJGSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049696127 936171964 /nfs/dbraw/zinc/17/19/64/936171964.db2.gz XRQYJGSMHWZBOX-HOTGVXAUSA-N 1 3 291.439 1.580 20 30 CDEDHO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001162676522 939112491 /nfs/dbraw/zinc/11/24/91/939112491.db2.gz RYQWHDBZVORVAG-PYTCVGRBSA-N 1 3 271.368 1.942 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791430 939704279 /nfs/dbraw/zinc/70/42/79/939704279.db2.gz INZHVBAMKGCJOI-KBPBESRZSA-N 1 3 279.428 1.530 20 30 CDEDHO C#Cc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205688819 939920081 /nfs/dbraw/zinc/92/00/81/939920081.db2.gz KEQBTJZNQLFSPL-INIZCTEOSA-N 1 3 258.365 1.344 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210218178 940672516 /nfs/dbraw/zinc/67/25/16/940672516.db2.gz PHYFJYMISMFGAU-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(C#N)ccn1 ZINC001276688788 940709361 /nfs/dbraw/zinc/70/93/61/940709361.db2.gz STPCHNZNCDYWIE-IRXDYDNUSA-N 1 3 299.422 1.163 20 30 CDEDHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(C#N)ccn1 ZINC001276688788 940709364 /nfs/dbraw/zinc/70/93/64/940709364.db2.gz STPCHNZNCDYWIE-IRXDYDNUSA-N 1 3 299.422 1.163 20 30 CDEDHO C=CCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213745029 940784364 /nfs/dbraw/zinc/78/43/64/940784364.db2.gz UXJAUZQJQSMXCV-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220796720 941473191 /nfs/dbraw/zinc/47/31/91/941473191.db2.gz AZVDMCAJPNGZMQ-CYBMUJFWSA-N 1 3 291.370 1.674 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220796720 941473193 /nfs/dbraw/zinc/47/31/93/941473193.db2.gz AZVDMCAJPNGZMQ-CYBMUJFWSA-N 1 3 291.370 1.674 20 30 CDEDHO C#CCCN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221969089 941556581 /nfs/dbraw/zinc/55/65/81/941556581.db2.gz QAUJRJLAGGXHQL-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCCN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221969089 941556582 /nfs/dbraw/zinc/55/65/82/941556582.db2.gz QAUJRJLAGGXHQL-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223494898 941682061 /nfs/dbraw/zinc/68/20/61/941682061.db2.gz FIWJGDILSPDDBO-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956526 942637696 /nfs/dbraw/zinc/63/76/96/942637696.db2.gz FZFLXPIJWPQEJF-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956526 942637698 /nfs/dbraw/zinc/63/76/98/942637698.db2.gz FZFLXPIJWPQEJF-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001284790218 943261080 /nfs/dbraw/zinc/26/10/80/943261080.db2.gz NUYOCBVJBNIGAD-RUXDESIVSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CCOCc1ncn2c1CN(CCCC[NH3+])CCC2 ZINC001235484533 944170602 /nfs/dbraw/zinc/17/06/02/944170602.db2.gz CURUHZWMVFAOJT-UHFFFAOYSA-N 1 3 278.400 1.530 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512921 944181544 /nfs/dbraw/zinc/18/15/44/944181544.db2.gz LWORUANNLHQCHM-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512921 944181548 /nfs/dbraw/zinc/18/15/48/944181548.db2.gz LWORUANNLHQCHM-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO N#Cc1cc(-c2ccc(CN)nc2)cc(C2C[NH2+]C2)c1 ZINC001240351283 945801018 /nfs/dbraw/zinc/80/10/18/945801018.db2.gz OXDWJYLFMLMEGN-UHFFFAOYSA-N 1 3 264.332 1.766 20 30 CDEDHO CC[C@@H](CC#N)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255178476 947768853 /nfs/dbraw/zinc/76/88/53/947768853.db2.gz GWONZDNSMGTCFN-INIZCTEOSA-N 1 3 278.444 1.638 20 30 CDEDHO N#CC1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246617594 948349271 /nfs/dbraw/zinc/34/92/71/948349271.db2.gz HNYOUGHYRBCWDZ-WUCCLRPBSA-N 1 3 262.401 1.095 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001366469577 956855760 /nfs/dbraw/zinc/85/57/60/956855760.db2.gz GQBUMGICFANPBQ-LBPRGKRZSA-N 1 3 287.835 1.708 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340351157 962904460 /nfs/dbraw/zinc/90/44/60/962904460.db2.gz NHMCEYCKFKSOOL-KGLIPLIRSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001353495983 968019987 /nfs/dbraw/zinc/01/99/87/968019987.db2.gz QOLBWSOXQLSUFD-KGLIPLIRSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001353495983 968019998 /nfs/dbraw/zinc/01/99/98/968019998.db2.gz QOLBWSOXQLSUFD-KGLIPLIRSA-N 1 3 267.417 1.470 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200794760 968920904 /nfs/dbraw/zinc/92/09/04/968920904.db2.gz FJNWTFXLQBZPGQ-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001521482419 970302932 /nfs/dbraw/zinc/30/29/32/970302932.db2.gz MFZUYSKJMKKCMF-MELADBBJSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132931812 1163511872 /nfs/dbraw/zinc/51/18/72/1163511872.db2.gz DLTXPPVCCKCBJA-CABCVRRESA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274443 1163621988 /nfs/dbraw/zinc/62/19/88/1163621988.db2.gz IDXHETBSKKVWHU-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1C#N ZINC000591281887 342624259 /nfs/dbraw/zinc/62/42/59/342624259.db2.gz RRIUAOWNNVAINB-HNNXBMFYSA-N 1 3 271.364 1.799 20 30 CDEDHO N#Cc1sccc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000595901832 343187066 /nfs/dbraw/zinc/18/70/66/343187066.db2.gz ADSDBQHMNCSNOI-CYBMUJFWSA-N 1 3 290.436 1.741 20 30 CDEDHO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=CCN(C)CC1 ZINC000598724034 343885284 /nfs/dbraw/zinc/88/52/84/343885284.db2.gz LGXYCVBHLWBYEJ-OCCSQVGLSA-N 1 3 265.401 1.527 20 30 CDEDHO CC(C)(C#N)C[C@H](O)C[NH2+]CCCN1CCCC1 ZINC000598704897 343877372 /nfs/dbraw/zinc/87/73/72/343877372.db2.gz WDUKCJJSBQBWBB-ZDUSSCGKSA-N 1 3 253.390 1.363 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CNCCC[NH+]1CCCC1 ZINC000598704897 343877373 /nfs/dbraw/zinc/87/73/73/343877373.db2.gz WDUKCJJSBQBWBB-ZDUSSCGKSA-N 1 3 253.390 1.363 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598722611 343884390 /nfs/dbraw/zinc/88/43/90/343884390.db2.gz BXGBIRSXFCNAFJ-LSDHHAIUSA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598722611 343884392 /nfs/dbraw/zinc/88/43/92/343884392.db2.gz BXGBIRSXFCNAFJ-LSDHHAIUSA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)CN1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598722611 343884393 /nfs/dbraw/zinc/88/43/93/343884393.db2.gz BXGBIRSXFCNAFJ-LSDHHAIUSA-N 1 3 281.444 1.855 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237485991 346634929 /nfs/dbraw/zinc/63/49/29/346634929.db2.gz OQLFXQAWOTUTLV-OAHLLOKOSA-N 1 3 265.401 1.143 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672021 347722903 /nfs/dbraw/zinc/72/29/03/347722903.db2.gz NJMOOYCQWLHGPH-HUUCEWRRSA-N 1 3 264.417 1.296 20 30 CDEDHO C[C@H](CCC#N)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565042927 360646929 /nfs/dbraw/zinc/64/69/29/360646929.db2.gz ACBSLXTVYPSMMH-BZUAXINKSA-N 1 3 278.444 1.636 20 30 CDEDHO C[C@@H](CCC#N)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565042951 360647499 /nfs/dbraw/zinc/64/74/99/360647499.db2.gz ACBSLXTVYPSMMH-PMPSAXMXSA-N 1 3 278.444 1.636 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000417518289 377791018 /nfs/dbraw/zinc/79/10/18/377791018.db2.gz BCLBPINBANOYHO-DZGCQCFKSA-N 1 3 294.443 1.467 20 30 CDEDHO C=C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362379633 391721854 /nfs/dbraw/zinc/72/18/54/391721854.db2.gz LXCWXCBWWMXVDU-CYBMUJFWSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CC[C@]1(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000662887517 413657668 /nfs/dbraw/zinc/65/76/68/413657668.db2.gz ZFEBIAGOERFUGH-DOTOQJQBSA-N 1 3 293.455 1.921 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN(CC)CC)CC1 ZINC000106034103 261320427 /nfs/dbraw/zinc/32/04/27/261320427.db2.gz QWDLWZKLLUTUGJ-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)CN(C)C)cc1OC ZINC000291910309 263126423 /nfs/dbraw/zinc/12/64/23/263126423.db2.gz LZZOYCWETBDRPB-LLVKDONJSA-N 1 3 294.399 1.628 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000491164672 332158783 /nfs/dbraw/zinc/15/87/83/332158783.db2.gz DIPMZHPGBWSAOO-LSDHHAIUSA-N 1 3 251.418 1.261 20 30 CDEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCCC1 ZINC000262301227 330005068 /nfs/dbraw/zinc/00/50/68/330005068.db2.gz BMZRKSVLUHJNTH-UHFFFAOYSA-N 1 3 294.443 1.303 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C)C1 ZINC000262486499 330016957 /nfs/dbraw/zinc/01/69/57/330016957.db2.gz SRZFQZDUAVSFQW-MGPQQGTHSA-N 1 3 266.433 1.811 20 30 CDEDHO CN(C)C(=[NH+]CC1(N(C)C)CCCCC1)N(C)C ZINC000263259012 330050847 /nfs/dbraw/zinc/05/08/47/330050847.db2.gz RYLPRLGZKDCHAR-UHFFFAOYSA-N 1 3 254.422 1.730 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422857960 330157903 /nfs/dbraw/zinc/15/79/03/330157903.db2.gz HUWMJQXIQMDZGK-UKRRQHHQSA-N 1 3 251.418 1.615 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423382187 330199453 /nfs/dbraw/zinc/19/94/53/330199453.db2.gz OCCNYUQQCXLWHT-OCCSQVGLSA-N 1 3 265.401 1.141 20 30 CDEDHO C#CC[N@H+](C)CCCNC[C@@H](O)c1cc(F)ccc1F ZINC000380818684 336033080 /nfs/dbraw/zinc/03/30/80/336033080.db2.gz FERVPJKWUMOHFO-OAHLLOKOSA-N 1 3 282.334 1.543 20 30 CDEDHO C#CC[N@@H+](C)CCCNC[C@@H](O)c1cc(F)ccc1F ZINC000380818684 336033081 /nfs/dbraw/zinc/03/30/81/336033081.db2.gz FERVPJKWUMOHFO-OAHLLOKOSA-N 1 3 282.334 1.543 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001755025210 1159504805 /nfs/dbraw/zinc/50/48/05/1159504805.db2.gz 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ZINC000733164268 575102598 /nfs/dbraw/zinc/10/25/98/575102598.db2.gz NZOZPERAXMOBLL-HNNXBMFYSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000764511299 575917600 /nfs/dbraw/zinc/91/76/00/575917600.db2.gz ZQSQHGXOMHRUNL-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000764511299 575917601 /nfs/dbraw/zinc/91/76/01/575917601.db2.gz ZQSQHGXOMHRUNL-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC000962408045 613279529 /nfs/dbraw/zinc/27/95/29/613279529.db2.gz RKHSSNHCLGWJGM-VIKVFOODSA-N 1 3 288.395 1.273 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC000962408045 613279531 /nfs/dbraw/zinc/27/95/31/613279531.db2.gz RKHSSNHCLGWJGM-VIKVFOODSA-N 1 3 288.395 1.273 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980484334 613284499 /nfs/dbraw/zinc/28/44/99/613284499.db2.gz YLKWHWOKTVLSEA-CVEARBPZSA-N 1 3 293.455 1.970 20 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/nfs/dbraw/zinc/61/60/42/613616042.db2.gz LAUCZLNGWYUHPY-MGPQQGTHSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560784 613616044 /nfs/dbraw/zinc/61/60/44/613616044.db2.gz LAUCZLNGWYUHPY-MGPQQGTHSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330842 613628142 /nfs/dbraw/zinc/62/81/42/613628142.db2.gz IBULEJCKVYUPEV-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330842 613628143 /nfs/dbraw/zinc/62/81/43/613628143.db2.gz IBULEJCKVYUPEV-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961960451 613838754 /nfs/dbraw/zinc/83/87/54/613838754.db2.gz OWUZSMLEINRWSM-WCVJEAGWSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911872564 629574657 /nfs/dbraw/zinc/57/46/57/629574657.db2.gz ZBAJBSZIJOJLIR-OLZOCXBDSA-N 1 3 255.406 1.502 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC000986932514 1160482469 /nfs/dbraw/zinc/48/24/69/1160482469.db2.gz AQRZCCHYBRZNQJ-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000876766681 1165910812 /nfs/dbraw/zinc/91/08/12/1165910812.db2.gz PWDCQXHHGKEXEN-CHWSQXEVSA-N 1 3 287.835 1.837 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000876766681 1165910815 /nfs/dbraw/zinc/91/08/15/1165910815.db2.gz PWDCQXHHGKEXEN-CHWSQXEVSA-N 1 3 287.835 1.837 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001713220269 1178439816 /nfs/dbraw/zinc/43/98/16/1178439816.db2.gz IBBWCOYQPIHHKJ-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001713220269 1178439820 /nfs/dbraw/zinc/43/98/20/1178439820.db2.gz IBBWCOYQPIHHKJ-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001733768300 1183525539 /nfs/dbraw/zinc/52/55/39/1183525539.db2.gz GTYBAAZQMPDLKL-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001733768300 1183525540 /nfs/dbraw/zinc/52/55/40/1183525540.db2.gz GTYBAAZQMPDLKL-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001753281075 1185141369 /nfs/dbraw/zinc/14/13/69/1185141369.db2.gz SITIVSZWLNSXNP-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896343 1163954756 /nfs/dbraw/zinc/95/47/56/1163954756.db2.gz JKBMFEAUMJCYGP-AWEZNQCLSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001252584190 1164495914 /nfs/dbraw/zinc/49/59/14/1164495914.db2.gz ZKLPRUIOLZZHFG-RBSFLKMASA-N 1 3 268.401 1.156 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167628340 897097762 /nfs/dbraw/zinc/09/77/62/897097762.db2.gz ZKIHCVIBGSMWGQ-OAHLLOKOSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001483959453 915230229 /nfs/dbraw/zinc/23/02/29/915230229.db2.gz UVFSIRLYHJUNOZ-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823258 899211855 /nfs/dbraw/zinc/21/18/55/899211855.db2.gz GABONNOAFUJSNQ-HOTGVXAUSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890435 914340704 /nfs/dbraw/zinc/34/07/04/914340704.db2.gz TYJIBERIYJLVDQ-UHFFFAOYSA-N 1 3 287.407 1.481 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC2CCC2)CC1 ZINC001176926592 914358076 /nfs/dbraw/zinc/35/80/76/914358076.db2.gz PXMLPCOXXQPBEW-UHFFFAOYSA-N 1 3 291.439 1.228 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106142 906319780 /nfs/dbraw/zinc/31/97/80/906319780.db2.gz OFWJWUREKCRQIF-OAGGEKHMSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106142 906319787 /nfs/dbraw/zinc/31/97/87/906319787.db2.gz OFWJWUREKCRQIF-OAGGEKHMSA-N 1 3 291.439 1.437 20 30 CDEDHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCCC#N)CC1 ZINC001172492006 911727735 /nfs/dbraw/zinc/72/77/35/911727735.db2.gz POADWOKYUCYWJP-CYBMUJFWSA-N 1 3 281.400 1.815 20 30 CDEDHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172492006 911727741 /nfs/dbraw/zinc/72/77/41/911727741.db2.gz POADWOKYUCYWJP-CYBMUJFWSA-N 1 3 281.400 1.815 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189881735 921699815 /nfs/dbraw/zinc/69/98/15/921699815.db2.gz VHNFSYKOHTUYDM-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094937569 911846778 /nfs/dbraw/zinc/84/67/78/911846778.db2.gz KVTCHCXIYSEFHJ-DZKIICNBSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484176052 915489923 /nfs/dbraw/zinc/48/99/23/915489923.db2.gz ZVKJNOXQQGXJRZ-RDJZCZTQSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484176052 915489934 /nfs/dbraw/zinc/48/99/34/915489934.db2.gz ZVKJNOXQQGXJRZ-RDJZCZTQSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698700 915588559 /nfs/dbraw/zinc/58/85/59/915588559.db2.gz RGTBNQSQELASCU-HNNXBMFYSA-N 1 3 279.428 1.226 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179553973 915884124 /nfs/dbraw/zinc/88/41/24/915884124.db2.gz IQGSTJRGIYUTTC-KKUMJFAQSA-N 1 3 297.443 1.108 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179744223 915962390 /nfs/dbraw/zinc/96/23/90/915962390.db2.gz ISSKJBHGCKSKRI-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185550626 919650341 /nfs/dbraw/zinc/65/03/41/919650341.db2.gz WCXFPORGYAXWGE-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190654646 922124416 /nfs/dbraw/zinc/12/44/16/922124416.db2.gz KRXKPIQSNMZZEP-CVEARBPZSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190654646 922124420 /nfs/dbraw/zinc/12/44/20/922124420.db2.gz KRXKPIQSNMZZEP-CVEARBPZSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342671 923014615 /nfs/dbraw/zinc/01/46/15/923014615.db2.gz JOLQAHLRNDXYPV-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342671 923014632 /nfs/dbraw/zinc/01/46/32/923014632.db2.gz JOLQAHLRNDXYPV-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C[C@](C)(O)CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252572376 951464708 /nfs/dbraw/zinc/46/47/08/951464708.db2.gz PVBDWIYLYSIYJC-ZNMIVQPWSA-N 1 3 254.418 1.881 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001079806678 924432412 /nfs/dbraw/zinc/43/24/12/924432412.db2.gz RTXRVYZLMLUVGB-BZUAXINKSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001079806678 924432416 /nfs/dbraw/zinc/43/24/16/924432416.db2.gz RTXRVYZLMLUVGB-BZUAXINKSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084354809 925238901 /nfs/dbraw/zinc/23/89/01/925238901.db2.gz WIKDMVJLIWPIJV-KLHDSHLOSA-N 1 3 291.439 1.435 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084354809 925238911 /nfs/dbraw/zinc/23/89/11/925238911.db2.gz WIKDMVJLIWPIJV-KLHDSHLOSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601234 937067741 /nfs/dbraw/zinc/06/77/41/937067741.db2.gz SCCFMZIDTCGRJF-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601234 937067743 /nfs/dbraw/zinc/06/77/43/937067743.db2.gz SCCFMZIDTCGRJF-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103138722 937124189 /nfs/dbraw/zinc/12/41/89/937124189.db2.gz ZKLYCCFZSMLRTE-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103138722 937124190 /nfs/dbraw/zinc/12/41/90/937124190.db2.gz ZKLYCCFZSMLRTE-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115290163 937344436 /nfs/dbraw/zinc/34/44/36/937344436.db2.gz OJFJRYLBXNGNCM-FOLVSLTJSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666626 930453633 /nfs/dbraw/zinc/45/36/33/930453633.db2.gz AEHFAGLWZVQJCT-UHFFFAOYSA-N 1 3 262.357 1.109 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777143 937419361 /nfs/dbraw/zinc/41/93/61/937419361.db2.gz CLILNNDGQYGTCZ-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO N=C(Nc1ccccc1CC[NH3+])c1ccc(C(N)=O)cc1 ZINC001171258487 932170573 /nfs/dbraw/zinc/17/05/73/932170573.db2.gz APKFDNKJEAFNPO-UHFFFAOYSA-N 1 3 282.347 1.324 20 30 CDEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148350477 932695470 /nfs/dbraw/zinc/69/54/70/932695470.db2.gz ABYVEFXJXRFAQO-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148350477 932695473 /nfs/dbraw/zinc/69/54/73/932695473.db2.gz ABYVEFXJXRFAQO-UHFFFAOYSA-N 1 3 288.395 1.453 20 30 CDEDHO C#CCCCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001155018071 937621757 /nfs/dbraw/zinc/62/17/57/937621757.db2.gz OLYAIKNHLOOXTH-UHFFFAOYSA-N 1 3 258.369 1.834 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737696 932764469 /nfs/dbraw/zinc/76/44/69/932764469.db2.gz HRYOJGDWECFWOD-VYDXJSESSA-N 1 3 291.439 1.293 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737696 932764477 /nfs/dbraw/zinc/76/44/77/932764477.db2.gz HRYOJGDWECFWOD-VYDXJSESSA-N 1 3 291.439 1.293 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC)C2)CC1 ZINC001086882445 932836925 /nfs/dbraw/zinc/83/69/25/932836925.db2.gz QRQAZXUHHHPRFN-GOEBONIOSA-N 1 3 291.439 1.226 20 30 CDEDHO CC#CC[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242566 937914921 /nfs/dbraw/zinc/91/49/21/937914921.db2.gz JNKBXASRULQCPG-UHFFFAOYSA-N 1 3 291.439 1.367 20 30 CDEDHO C#CCC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079780 938580965 /nfs/dbraw/zinc/58/09/65/938580965.db2.gz QLQBHMQYUHSZRX-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158473941 938628405 /nfs/dbraw/zinc/62/84/05/938628405.db2.gz QUFLMINQVPCJEW-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001158473941 938628407 /nfs/dbraw/zinc/62/84/07/938628407.db2.gz QUFLMINQVPCJEW-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853476 938757346 /nfs/dbraw/zinc/75/73/46/938757346.db2.gz FPYVVRYYJPRSSO-AWEZNQCLSA-N 1 3 281.444 1.921 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036779 938860480 /nfs/dbraw/zinc/86/04/80/938860480.db2.gz NZINIARGKHMUDM-UHFFFAOYSA-N 1 3 291.439 1.490 20 30 CDEDHO N#Cc1ccccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205210507 939835532 /nfs/dbraw/zinc/83/55/32/939835532.db2.gz PCXTWEYCZROEFD-OAHLLOKOSA-N 1 3 259.353 1.234 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653052 940226912 /nfs/dbraw/zinc/22/69/12/940226912.db2.gz VQTPBEOCRIESJT-OAGGEKHMSA-N 1 3 295.471 1.975 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653052 940226915 /nfs/dbraw/zinc/22/69/15/940226915.db2.gz VQTPBEOCRIESJT-OAGGEKHMSA-N 1 3 295.471 1.975 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208373322 940325934 /nfs/dbraw/zinc/32/59/34/940325934.db2.gz IEGBJXLWDZVRDB-CABCVRRESA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414069 940329163 /nfs/dbraw/zinc/32/91/63/940329163.db2.gz HGRZFCUVQYMNEG-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211279597 940745173 /nfs/dbraw/zinc/74/51/73/940745173.db2.gz YURPIALDYHLPDR-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952969 940847435 /nfs/dbraw/zinc/84/74/35/940847435.db2.gz UZBVWSJYKJKXNG-MGPQQGTHSA-N 1 3 267.417 1.339 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226799512 942073355 /nfs/dbraw/zinc/07/33/55/942073355.db2.gz BEJUQGCOVKQJDK-BZUAXINKSA-N 1 3 291.439 1.367 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001262568375 946718859 /nfs/dbraw/zinc/71/88/59/946718859.db2.gz UFCDKRDMZMIPJG-GOSISDBHSA-N 1 3 297.402 1.669 20 30 CDEDHO C#Cc1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254162932 947317045 /nfs/dbraw/zinc/31/70/45/947317045.db2.gz KKFDQQLTPINTFR-UHFFFAOYSA-N 1 3 297.406 1.645 20 30 CDEDHO C=C1C[C@@H]2CC([NH2+]C[C@]3(O)CCNC[C@@H]3F)C[C@H](C1)C2 ZINC001246082767 947933157 /nfs/dbraw/zinc/93/31/57/947933157.db2.gz MSAQSTNLJFOQOS-BLNMRFBMSA-N 1 3 282.403 1.773 20 30 CDEDHO C=CCN(CC=C)CCN1CCN(C2CC[NH2+]CC2)CC1 ZINC001246945181 948534825 /nfs/dbraw/zinc/53/48/25/948534825.db2.gz FOHPSVQOASUROL-UHFFFAOYSA-N 1 3 292.471 1.030 20 30 CDEDHO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252470703 951323062 /nfs/dbraw/zinc/32/30/62/951323062.db2.gz NNBOUQHINGFMPP-ULQDDVLXSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252470703 951323073 /nfs/dbraw/zinc/32/30/73/951323073.db2.gz NNBOUQHINGFMPP-ULQDDVLXSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470703 951323084 /nfs/dbraw/zinc/32/30/84/951323084.db2.gz NNBOUQHINGFMPP-ULQDDVLXSA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001252470703 951323098 /nfs/dbraw/zinc/32/30/98/951323098.db2.gz NNBOUQHINGFMPP-ULQDDVLXSA-N 1 3 296.455 1.889 20 30 CDEDHO C=C[C@](C)(O)CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252572376 951464704 /nfs/dbraw/zinc/46/47/04/951464704.db2.gz PVBDWIYLYSIYJC-ZNMIVQPWSA-N 1 3 254.418 1.881 20 30 CDEDHO C=C[C@@H](COC)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329941202 956191856 /nfs/dbraw/zinc/19/18/56/956191856.db2.gz NTSVEQPWNYNWMM-GXTWGEPZSA-N 1 3 254.374 1.030 20 30 CDEDHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC#CCN(C)C ZINC001335381727 959758071 /nfs/dbraw/zinc/75/80/71/959758071.db2.gz MKZPJKAXSKFMCB-GDBMZVCRSA-N 1 3 260.381 1.306 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001340128679 962762065 /nfs/dbraw/zinc/76/20/65/962762065.db2.gz NYLNGODOSOQHRE-OCCSQVGLSA-N 1 3 288.395 1.520 20 30 CDEDHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC#CCN(C)C)c1 ZINC001353300542 967874137 /nfs/dbraw/zinc/87/41/37/967874137.db2.gz NJTPSTHWSUWEFZ-INIZCTEOSA-N 1 3 290.407 1.198 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001100730982 969032348 /nfs/dbraw/zinc/03/23/48/969032348.db2.gz WRHXDCYTKBTFDB-QQFBHYJXSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001406935922 976484730 /nfs/dbraw/zinc/48/47/30/976484730.db2.gz HXDGEMOBZYLCLA-LBPRGKRZSA-N 1 3 285.819 1.462 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001406935922 976484738 /nfs/dbraw/zinc/48/47/38/976484738.db2.gz HXDGEMOBZYLCLA-LBPRGKRZSA-N 1 3 285.819 1.462 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001574851580 1171023338 /nfs/dbraw/zinc/02/33/38/1171023338.db2.gz HWHISEHIMXLCNK-DCAQKATOSA-N 1 3 273.808 1.301 20 30 CDEDHO CN(CCCOc1cccc(C#N)c1)C1CC([NH3+])C1 ZINC001578469291 1171927561 /nfs/dbraw/zinc/92/75/61/1171927561.db2.gz QJRKJVFICHHRSZ-UHFFFAOYSA-N 1 3 259.353 1.749 20 30 CDEDHO C[NH2+]C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000600827809 342251912 /nfs/dbraw/zinc/25/19/12/342251912.db2.gz YOXDCWCZMPNWTK-OAHLLOKOSA-N 1 3 296.374 1.499 20 30 CDEDHO CN(C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000080576335 342356699 /nfs/dbraw/zinc/35/66/99/342356699.db2.gz UPMUUKLWWQYLRX-ZDUSSCGKSA-N 1 3 276.384 1.366 20 30 CDEDHO C[C@H](CCNC(=[NH2+])NC1CC1)N(C)Cc1ccccc1 ZINC000081781055 342373672 /nfs/dbraw/zinc/37/36/72/342373672.db2.gz JKSFSCOSIPICFP-CYBMUJFWSA-N 1 3 274.412 1.964 20 30 CDEDHO CCN1CCN(CCC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602594103 344481928 /nfs/dbraw/zinc/48/19/28/344481928.db2.gz RONXOVULVJIZID-OAHLLOKOSA-N 1 3 266.433 1.543 20 30 CDEDHO N#CCN1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000611104145 346609057 /nfs/dbraw/zinc/60/90/57/346609057.db2.gz CCQBRVNEDWGGOE-CABCVRRESA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000611104145 346609058 /nfs/dbraw/zinc/60/90/58/346609058.db2.gz CCQBRVNEDWGGOE-CABCVRRESA-N 1 3 262.401 1.191 20 30 CDEDHO N#CCN1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000611104145 346609061 /nfs/dbraw/zinc/60/90/61/346609061.db2.gz CCQBRVNEDWGGOE-CABCVRRESA-N 1 3 262.401 1.191 20 30 CDEDHO CCN1CCN(CCC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190759571 358092000 /nfs/dbraw/zinc/09/20/00/358092000.db2.gz VLPTXNZLKUWCPU-UHFFFAOYSA-N 1 3 289.427 1.014 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000236689589 358798807 /nfs/dbraw/zinc/79/88/07/358798807.db2.gz ZZEXFEMZGXEPJL-NVXWUHKLSA-N 1 3 293.455 1.801 20 30 CDEDHO C=CCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000338669383 360954645 /nfs/dbraw/zinc/95/46/45/360954645.db2.gz XNMFENHRSMVZQD-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000338669383 360954650 /nfs/dbraw/zinc/95/46/50/360954650.db2.gz XNMFENHRSMVZQD-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C[NH+]=C(NCc1nccs1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158372697 364046122 /nfs/dbraw/zinc/04/61/22/364046122.db2.gz MESHNXSETWJCAU-NEPJUHHUSA-N 1 3 295.456 1.537 20 30 CDEDHO N#CCC[C@@H](C#N)CNCCCC[N@H+]1CCC[C@H]1CO ZINC000582421094 370617954 /nfs/dbraw/zinc/61/79/54/370617954.db2.gz WNIFMGJKNJYGDI-GJZGRUSLSA-N 1 3 278.400 1.256 20 30 CDEDHO N#CCC[C@@H](C#N)CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000582421094 370617962 /nfs/dbraw/zinc/61/79/62/370617962.db2.gz WNIFMGJKNJYGDI-GJZGRUSLSA-N 1 3 278.400 1.256 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C[NH3+])CCCC)CC1 ZINC000417536785 377900735 /nfs/dbraw/zinc/90/07/35/377900735.db2.gz LGSDJIMDMBEUBW-OAHLLOKOSA-N 1 3 296.459 1.844 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2)CC1 ZINC000373171767 391108662 /nfs/dbraw/zinc/10/86/62/391108662.db2.gz BVQPVNJLQKFMSK-JYJNAYRXSA-N 1 3 290.455 1.827 20 30 CDEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190764633 140131226 /nfs/dbraw/zinc/13/12/26/140131226.db2.gz VWAPZMHDQFPNLK-CQSZACIVSA-N 1 3 289.427 1.012 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237394060 423866929 /nfs/dbraw/zinc/86/69/29/423866929.db2.gz OMDGMYFDQGVKDQ-GJZGRUSLSA-N 1 3 293.455 1.779 20 30 CDEDHO C#CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177506194 329185100 /nfs/dbraw/zinc/18/51/00/329185100.db2.gz DSOSVCZMGOFUJZ-HUUCEWRRSA-N 1 3 264.413 1.831 20 30 CDEDHO CN(C)CC1(CNC(=[NH2+])N(C)C2CC2)CCCC1 ZINC000262363611 330010918 /nfs/dbraw/zinc/01/09/18/330010918.db2.gz JMNOWHKCAUTPHI-UHFFFAOYSA-N 1 3 252.406 1.517 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262532819 330019931 /nfs/dbraw/zinc/01/99/31/330019931.db2.gz OMZMNLHBHUSVHM-RQJABVFESA-N 1 3 294.443 1.189 20 30 CDEDHO C=C(C)CN1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422981195 330162513 /nfs/dbraw/zinc/16/25/13/330162513.db2.gz SFKRWVABJAXOFQ-DZGCQCFKSA-N 1 3 251.418 1.757 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423382185 330199210 /nfs/dbraw/zinc/19/92/10/330199210.db2.gz OCCNYUQQCXLWHT-GXTWGEPZSA-N 1 3 265.401 1.141 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000424148946 330295641 /nfs/dbraw/zinc/29/56/41/330295641.db2.gz VKKMVDZBUAOYMV-OAHLLOKOSA-N 1 3 294.443 1.780 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000491619651 332245790 /nfs/dbraw/zinc/24/57/90/332245790.db2.gz CCJXIHURFYXHJL-CQSZACIVSA-N 1 3 296.459 1.217 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024927 1159504853 /nfs/dbraw/zinc/50/48/53/1159504853.db2.gz LLIRYCZVXSFOHR-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755024927 1159504858 /nfs/dbraw/zinc/50/48/58/1159504858.db2.gz LLIRYCZVXSFOHR-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001755079444 1159520103 /nfs/dbraw/zinc/52/01/03/1159520103.db2.gz KEUYHTYSEFJUPJ-QGZVFWFLSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CC[N@H+](C)CCNC(=O)c1sccc1CN(C)C ZINC001753050685 1185021132 /nfs/dbraw/zinc/02/11/32/1185021132.db2.gz QEHRQOAWZRGEGF-UHFFFAOYSA-N 1 3 279.409 1.105 20 30 CDEDHO C=CCOCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000354859480 526688607 /nfs/dbraw/zinc/68/86/07/526688607.db2.gz ZGOXOSGEFVEDHR-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCOCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000354859480 526688611 /nfs/dbraw/zinc/68/86/11/526688611.db2.gz ZGOXOSGEFVEDHR-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555462 613222422 /nfs/dbraw/zinc/22/24/22/613222422.db2.gz KMIFEOKCUBLWSA-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555459 613256045 /nfs/dbraw/zinc/25/60/45/613256045.db2.gz KMIFEOKCUBLWSA-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969653876 613482609 /nfs/dbraw/zinc/48/26/09/613482609.db2.gz NJFLNRGGXNPQAR-ZBFHGGJFSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972335091 613612491 /nfs/dbraw/zinc/61/24/91/613612491.db2.gz MTOOOIRTVMDXCH-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972335091 613612492 /nfs/dbraw/zinc/61/24/92/613612492.db2.gz MTOOOIRTVMDXCH-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682673 613613155 /nfs/dbraw/zinc/61/31/55/613613155.db2.gz OZRYEZBWKFKOEX-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971682673 613613158 /nfs/dbraw/zinc/61/31/58/613613158.db2.gz OZRYEZBWKFKOEX-HZPDHXFCSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775335 613700818 /nfs/dbraw/zinc/70/08/18/613700818.db2.gz GEKTYDANRIHGPT-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775335 613700819 /nfs/dbraw/zinc/70/08/19/613700819.db2.gz GEKTYDANRIHGPT-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000970795749 613867127 /nfs/dbraw/zinc/86/71/27/613867127.db2.gz FXTHSGGKKMJWDK-OAHLLOKOSA-N 1 3 287.407 1.738 20 30 CDEDHO C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)[C@@H]1CCCO1 ZINC000926210218 617544727 /nfs/dbraw/zinc/54/47/27/617544727.db2.gz LHFUDDFWAJMTAF-QHEDDYRISA-N 1 3 292.423 1.399 20 30 CDEDHO CN1CCC([N@@H+]2CC[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC000892948689 617957613 /nfs/dbraw/zinc/95/76/13/617957613.db2.gz XPRCVSDEJPURSH-GOSISDBHSA-N 1 3 297.446 1.796 20 30 CDEDHO CN1CCC([N@H+]2CC[C@@H](NCC#Cc3ccccc3)C2)CC1 ZINC000892948689 617957622 /nfs/dbraw/zinc/95/76/22/617957622.db2.gz XPRCVSDEJPURSH-GOSISDBHSA-N 1 3 297.446 1.796 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000911883802 629611816 /nfs/dbraw/zinc/61/18/16/629611816.db2.gz ZYYPPLCXDXCODK-KKUMJFAQSA-N 1 3 299.459 1.639 20 30 CDEDHO CCOC(C)(C)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000187142814 679542746 /nfs/dbraw/zinc/54/27/46/679542746.db2.gz XNHOFXPQLPNIED-GFCCVEGCSA-N 1 3 270.421 1.190 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989480842 679652814 /nfs/dbraw/zinc/65/28/14/679652814.db2.gz MBESIYKJHYUOMA-HNNXBMFYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989480842 679652816 /nfs/dbraw/zinc/65/28/16/679652816.db2.gz MBESIYKJHYUOMA-HNNXBMFYSA-N 1 3 279.428 1.439 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000303897549 677717095 /nfs/dbraw/zinc/71/70/95/677717095.db2.gz QPJOJNDDZWTLFO-AVGNSLFASA-N 1 3 270.421 1.046 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072981305 678069414 /nfs/dbraw/zinc/06/94/14/678069414.db2.gz CYACRSJZMXZBSF-CQSZACIVSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001072981305 678069417 /nfs/dbraw/zinc/06/94/17/678069417.db2.gz CYACRSJZMXZBSF-CQSZACIVSA-N 1 3 277.412 1.191 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CCCC[C@H]1C ZINC000261719879 678214673 /nfs/dbraw/zinc/21/46/73/678214673.db2.gz FQRLOVNUCNHXGT-MGPQQGTHSA-N 1 3 282.432 1.333 20 30 CDEDHO C=C(C)C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001026598485 678304658 /nfs/dbraw/zinc/30/46/58/678304658.db2.gz JFOZZLTWRHMYEY-UHFFFAOYSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001000186577 678337555 /nfs/dbraw/zinc/33/75/55/678337555.db2.gz UQDGJPXPLJSQAV-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCN1CCC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000886660807 678377359 /nfs/dbraw/zinc/37/73/59/678377359.db2.gz GKVALDRPGLWHJG-INIZCTEOSA-N 1 3 277.456 1.937 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001072979629 678615611 /nfs/dbraw/zinc/61/56/11/678615611.db2.gz GCJMUXWDLCIPSW-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072979629 678615613 /nfs/dbraw/zinc/61/56/13/678615613.db2.gz GCJMUXWDLCIPSW-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019560803 678749645 /nfs/dbraw/zinc/74/96/45/678749645.db2.gz ZAWBXLQJWSPJCK-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985648741 678893318 /nfs/dbraw/zinc/89/33/18/678893318.db2.gz YHGDHACMPOEGPI-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985648741 678893321 /nfs/dbraw/zinc/89/33/21/678893321.db2.gz YHGDHACMPOEGPI-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091856 678957978 /nfs/dbraw/zinc/95/79/78/678957978.db2.gz NPPSKDNIJNXVRM-QLFBSQMISA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091856 678957980 /nfs/dbraw/zinc/95/79/80/678957980.db2.gz NPPSKDNIJNXVRM-QLFBSQMISA-N 1 3 279.428 1.435 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033080567 679112571 /nfs/dbraw/zinc/11/25/71/679112571.db2.gz FSCHYQPJKWBMDQ-CVEARBPZSA-N 1 3 291.439 1.415 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033080567 679112574 /nfs/dbraw/zinc/11/25/74/679112574.db2.gz FSCHYQPJKWBMDQ-CVEARBPZSA-N 1 3 291.439 1.415 20 30 CDEDHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218353 679385503 /nfs/dbraw/zinc/38/55/03/679385503.db2.gz TTXGIAHHKCACER-DOTOQJQBSA-N 1 3 291.439 1.849 20 30 CDEDHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)CC3(C#N)CCC3)C2)C1 ZINC000886218353 679385506 /nfs/dbraw/zinc/38/55/06/679385506.db2.gz TTXGIAHHKCACER-DOTOQJQBSA-N 1 3 291.439 1.849 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776102 679427936 /nfs/dbraw/zinc/42/79/36/679427936.db2.gz IIEBZQCGSASGQO-CVEARBPZSA-N 1 3 291.439 1.770 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776102 679427937 /nfs/dbraw/zinc/42/79/37/679427937.db2.gz IIEBZQCGSASGQO-CVEARBPZSA-N 1 3 291.439 1.770 20 30 CDEDHO C#CC[N@@H+](CCCN1CCN(C(C)C)CC1)C(C)C ZINC000932388834 679537359 /nfs/dbraw/zinc/53/73/59/679537359.db2.gz XIELLKADIPJTEE-UHFFFAOYSA-N 1 3 265.445 1.746 20 30 CDEDHO C#CC[N@H+](CCCN1CCN(C(C)C)CC1)C(C)C ZINC000932388834 679537364 /nfs/dbraw/zinc/53/73/64/679537364.db2.gz XIELLKADIPJTEE-UHFFFAOYSA-N 1 3 265.445 1.746 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365885 679544166 /nfs/dbraw/zinc/54/41/66/679544166.db2.gz KZHQNAZJMDBSQQ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365885 679544172 /nfs/dbraw/zinc/54/41/72/679544172.db2.gz KZHQNAZJMDBSQQ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892842 679564795 /nfs/dbraw/zinc/56/47/95/679564795.db2.gz FBBLRPRCCYVWMO-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892842 679564798 /nfs/dbraw/zinc/56/47/98/679564798.db2.gz FBBLRPRCCYVWMO-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO CN1CCN(C2CC[NH+](CCCC#N)CC2)CC1 ZINC000879592194 679649553 /nfs/dbraw/zinc/64/95/53/679649553.db2.gz ZOZRGQRVIIKPFK-UHFFFAOYSA-N 1 3 250.390 1.002 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132931813 1163511363 /nfs/dbraw/zinc/51/13/63/1163511363.db2.gz DLTXPPVCCKCBJA-GJZGRUSLSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772375 1164102127 /nfs/dbraw/zinc/10/21/27/1164102127.db2.gz COXNGOYDEBEMNW-QWHCGFSZSA-N 1 3 269.433 1.776 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566909691 1168463350 /nfs/dbraw/zinc/46/33/50/1168463350.db2.gz CWGRDEHBJBQDNU-GJZGRUSLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001668977996 1173488156 /nfs/dbraw/zinc/48/81/56/1173488156.db2.gz ILRKCCQDMPWOJT-ISZGNANSSA-N 1 3 265.401 1.309 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001690259888 1175413679 /nfs/dbraw/zinc/41/36/79/1175413679.db2.gz BTHSFRAOVSEQIQ-KRWDZBQOSA-N 1 3 299.418 1.576 20 30 CDEDHO C#CC[N@@H+](C)CCNC(=O)c1sccc1CN(C)C ZINC001753050685 1185021125 /nfs/dbraw/zinc/02/11/25/1185021125.db2.gz QEHRQOAWZRGEGF-UHFFFAOYSA-N 1 3 279.409 1.105 20 30 CDEDHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753355500 1185167237 /nfs/dbraw/zinc/16/72/37/1185167237.db2.gz JCHNFIYKDZZYKA-ZDUSSCGKSA-N 1 3 276.384 1.309 20 30 CDEDHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753355500 1185167242 /nfs/dbraw/zinc/16/72/42/1185167242.db2.gz JCHNFIYKDZZYKA-ZDUSSCGKSA-N 1 3 276.384 1.309 20 30 CDEDHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001755618920 1186014129 /nfs/dbraw/zinc/01/41/29/1186014129.db2.gz PZYWPITVGJECPB-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773107 1164104641 /nfs/dbraw/zinc/10/46/41/1164104641.db2.gz LDLYVFZHXWGFHO-UONOGXRCSA-N 1 3 281.444 1.613 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262437 1164303678 /nfs/dbraw/zinc/30/36/78/1164303678.db2.gz GZWQHDYRNLXXBZ-CABCVRRESA-N 1 3 279.428 1.226 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC001340063568 962720932 /nfs/dbraw/zinc/72/09/32/962720932.db2.gz PLKYYQZBMFUEMI-ZDUSSCGKSA-N 1 3 253.390 1.128 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001121931093 913248541 /nfs/dbraw/zinc/24/85/41/913248541.db2.gz CUVQZLJMYFYBKD-ZIAGYGMSSA-N 1 3 285.432 1.250 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001121931091 913250192 /nfs/dbraw/zinc/25/01/92/913250192.db2.gz CUVQZLJMYFYBKD-KGLIPLIRSA-N 1 3 285.432 1.250 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175271383 913523736 /nfs/dbraw/zinc/52/37/36/913523736.db2.gz ARKQILYEVUTFEU-OAHLLOKOSA-N 1 3 295.471 1.862 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001266880377 896268948 /nfs/dbraw/zinc/26/89/48/896268948.db2.gz KESCYYHMDMZJNV-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176992462 914421429 /nfs/dbraw/zinc/42/14/29/914421429.db2.gz QABIXKBUBFOLJO-AWEZNQCLSA-N 1 3 267.417 1.533 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578469 905706416 /nfs/dbraw/zinc/70/64/16/905706416.db2.gz XLGLPCHIQJMPKE-CAOSSQGBSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578469 905706428 /nfs/dbraw/zinc/70/64/28/905706428.db2.gz XLGLPCHIQJMPKE-CAOSSQGBSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796965 905853688 /nfs/dbraw/zinc/85/36/88/905853688.db2.gz SIMVSAIGGKZCGL-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796965 905853705 /nfs/dbraw/zinc/85/37/05/905853705.db2.gz SIMVSAIGGKZCGL-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320889 909018144 /nfs/dbraw/zinc/01/81/44/909018144.db2.gz VELACDRPMCCYIZ-UHFFFAOYSA-N 1 3 281.444 1.779 20 30 CDEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=N)c1ccc(F)cn1)C2 ZINC001172104371 911259812 /nfs/dbraw/zinc/25/98/12/911259812.db2.gz FERYFYBTMIZPKN-CLLJXQQHSA-N 1 3 276.359 1.941 20 30 CDEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=N)c1ccc(F)cn1)C2 ZINC001172104371 911259822 /nfs/dbraw/zinc/25/98/22/911259822.db2.gz FERYFYBTMIZPKN-CLLJXQQHSA-N 1 3 276.359 1.941 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+]1CCCCC1 ZINC000691601325 915684164 /nfs/dbraw/zinc/68/41/64/915684164.db2.gz LILFJDAKQWSGAJ-KGLIPLIRSA-N 1 3 280.416 1.388 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646731 918552630 /nfs/dbraw/zinc/55/26/30/918552630.db2.gz SSXQLHBWJXBKLX-NVXWUHKLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646731 918552643 /nfs/dbraw/zinc/55/26/43/918552643.db2.gz SSXQLHBWJXBKLX-NVXWUHKLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185761388 919742854 /nfs/dbraw/zinc/74/28/54/919742854.db2.gz GVVJPIDFJLNKDQ-GJZGRUSLSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185750968 919755502 /nfs/dbraw/zinc/75/55/02/919755502.db2.gz NDJYDHXZVXVQEO-JKSUJKDBSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190664840 922110163 /nfs/dbraw/zinc/11/01/63/922110163.db2.gz HCPJJGQBPDCDIM-LSDHHAIUSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001190664840 922110169 /nfs/dbraw/zinc/11/01/69/922110169.db2.gz HCPJJGQBPDCDIM-LSDHHAIUSA-N 1 3 279.428 1.435 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098219480 936746631 /nfs/dbraw/zinc/74/66/31/936746631.db2.gz GONYVDVRUYOKGK-FPCVCCKLSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098219480 936746633 /nfs/dbraw/zinc/74/66/33/936746633.db2.gz GONYVDVRUYOKGK-FPCVCCKLSA-N 1 3 289.423 1.073 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354496 923029778 /nfs/dbraw/zinc/02/97/78/923029778.db2.gz LZBTYFLZSAHBAK-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001192354496 923029794 /nfs/dbraw/zinc/02/97/94/923029794.db2.gz LZBTYFLZSAHBAK-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194070707 924049894 /nfs/dbraw/zinc/04/98/94/924049894.db2.gz ANMKGZRQXQKTKV-MRXNPFEDSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001082724812 924988868 /nfs/dbraw/zinc/98/88/68/924988868.db2.gz LRICCPLLDRCMPC-RBSFLKMASA-N 1 3 281.444 1.585 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082741207 924990610 /nfs/dbraw/zinc/99/06/10/924990610.db2.gz SOQLVIYHVWRMPZ-HZSPNIEDSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC001085432742 925953077 /nfs/dbraw/zinc/95/30/77/925953077.db2.gz OCDAIJLWVWSEFB-HZPDHXFCSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066144 926188761 /nfs/dbraw/zinc/18/87/61/926188761.db2.gz GOERVUXYKUFUOF-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136032246 930609818 /nfs/dbraw/zinc/60/98/18/930609818.db2.gz YAYDOUOJKUPZEE-NEPJUHHUSA-N 1 3 278.400 1.710 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153909929 937482783 /nfs/dbraw/zinc/48/27/83/937482783.db2.gz FHQPTZCDFWGUSW-CABCVRRESA-N 1 3 281.444 1.423 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCF)CC1 ZINC001146614551 932271531 /nfs/dbraw/zinc/27/15/31/932271531.db2.gz YJEMASAPZPSSTI-KGLIPLIRSA-N 1 3 297.418 1.174 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001121930599 937891478 /nfs/dbraw/zinc/89/14/78/937891478.db2.gz NTGRJBCEMWAOFL-CABCVRRESA-N 1 3 279.428 1.661 20 30 CDEDHO C#CC1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001160913105 938842271 /nfs/dbraw/zinc/84/22/71/938842271.db2.gz RLXHFAFVIUQINP-HNNXBMFYSA-N 1 3 279.428 1.354 20 30 CDEDHO C=CCN(CC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1)C(=O)OCC ZINC001206154309 939987533 /nfs/dbraw/zinc/98/75/33/939987533.db2.gz IUPPMZWDZZIDNG-QWHCGFSZSA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCN(CC[N@H+]1CC[C@@H](N)[C@@H](F)CC1)C(=O)OCC ZINC001206154309 939987536 /nfs/dbraw/zinc/98/75/36/939987536.db2.gz IUPPMZWDZZIDNG-QWHCGFSZSA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334514 940320353 /nfs/dbraw/zinc/32/03/53/940320353.db2.gz JGLOZLAYYBMQTI-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001210314111 940682757 /nfs/dbraw/zinc/68/27/57/940682757.db2.gz FLYUVYRTIRWKFA-LBPRGKRZSA-N 1 3 296.321 1.496 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284422 942601146 /nfs/dbraw/zinc/60/11/46/942601146.db2.gz DUHNYJRNWFETCK-HUUCEWRRSA-N 1 3 281.444 1.920 20 30 CDEDHO N#Cc1ccc(CCCN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235991946 944357097 /nfs/dbraw/zinc/35/70/97/944357097.db2.gz IXASENBLUKKSIM-SJPCQFCGSA-N 1 3 285.391 1.396 20 30 CDEDHO C=CCCCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361470 945430135 /nfs/dbraw/zinc/43/01/35/945430135.db2.gz FVDNULLSNJOMTR-CYBMUJFWSA-N 1 3 296.484 1.291 20 30 CDEDHO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001254646501 947568081 /nfs/dbraw/zinc/56/80/81/947568081.db2.gz BAPGPXJKMSKHJJ-LVQVYYBASA-N 1 3 277.412 1.912 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC001335263558 959670102 /nfs/dbraw/zinc/67/01/02/959670102.db2.gz IRDOQQZVBFDFTN-OLZOCXBDSA-N 1 3 257.422 1.870 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001340056711 962713185 /nfs/dbraw/zinc/71/31/85/962713185.db2.gz OPMFDBKISTXIDQ-ZIAGYGMSSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001340056711 962713190 /nfs/dbraw/zinc/71/31/90/962713190.db2.gz OPMFDBKISTXIDQ-ZIAGYGMSSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001340853570 963155319 /nfs/dbraw/zinc/15/53/19/963155319.db2.gz OCCWLWIGDXRSRA-WCQYABFASA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001340853570 963155325 /nfs/dbraw/zinc/15/53/25/963155325.db2.gz OCCWLWIGDXRSRA-WCQYABFASA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001353494467 968016987 /nfs/dbraw/zinc/01/69/87/968016987.db2.gz DRWHDJUUFHHDCJ-IHRRRGAJSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001353494467 968016999 /nfs/dbraw/zinc/01/69/99/968016999.db2.gz DRWHDJUUFHHDCJ-IHRRRGAJSA-N 1 3 265.401 1.413 20 30 CDEDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000439708670 361830663 /nfs/dbraw/zinc/83/06/63/361830663.db2.gz ZSNXFIQMKWDOAA-OLZOCXBDSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)C#N ZINC000439708670 361830668 /nfs/dbraw/zinc/83/06/68/361830668.db2.gz ZSNXFIQMKWDOAA-OLZOCXBDSA-N 1 3 251.374 1.773 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442769384 362087566 /nfs/dbraw/zinc/08/75/66/362087566.db2.gz QEVGKGKMMOFZPO-SQNIBIBYSA-N 1 3 299.418 1.905 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442769384 362087571 /nfs/dbraw/zinc/08/75/71/362087571.db2.gz QEVGKGKMMOFZPO-SQNIBIBYSA-N 1 3 299.418 1.905 20 30 CDEDHO COCCNC(=[NH2+])NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000081780962 342373635 /nfs/dbraw/zinc/37/36/35/342373635.db2.gz IPYVPSMYSOUMFY-CQSZACIVSA-N 1 3 292.427 1.448 20 30 CDEDHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718387 343882782 /nfs/dbraw/zinc/88/27/82/343882782.db2.gz AVASOMSYCUSHIS-KGLIPLIRSA-N 1 3 267.417 1.609 20 30 CDEDHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718387 343882785 /nfs/dbraw/zinc/88/27/85/343882785.db2.gz AVASOMSYCUSHIS-KGLIPLIRSA-N 1 3 267.417 1.609 20 30 CDEDHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598718387 343882787 /nfs/dbraw/zinc/88/27/87/343882787.db2.gz AVASOMSYCUSHIS-KGLIPLIRSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@H](CCC#N)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000602508294 344457816 /nfs/dbraw/zinc/45/78/16/344457816.db2.gz LWIONNDEDBNHRX-CQSZACIVSA-N 1 3 266.433 1.542 20 30 CDEDHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000358189473 356638491 /nfs/dbraw/zinc/63/84/91/356638491.db2.gz MQVMZLHNEVSGSG-XJKSGUPXSA-N 1 3 273.380 1.867 20 30 CDEDHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(C#N)cc1 ZINC000358189473 356638494 /nfs/dbraw/zinc/63/84/94/356638494.db2.gz MQVMZLHNEVSGSG-XJKSGUPXSA-N 1 3 273.380 1.867 20 30 CDEDHO Cn1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc1C#N ZINC000190795018 358093613 /nfs/dbraw/zinc/09/36/13/358093613.db2.gz DJUZCUGYWBMHGP-UHFFFAOYSA-N 1 3 272.396 1.861 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236684735 358798562 /nfs/dbraw/zinc/79/85/62/358798562.db2.gz ZKETVNLKVABJOF-BZUAXINKSA-N 1 3 293.455 1.929 20 30 CDEDHO CC(C#N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347055645 359139378 /nfs/dbraw/zinc/13/93/78/359139378.db2.gz APNBXFODUSIXKG-MBNYWOFBSA-N 1 3 251.374 1.773 20 30 CDEDHO C=CCN(CCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000420320464 376317825 /nfs/dbraw/zinc/31/78/25/376317825.db2.gz QGMCRNGGKBBEFO-UHFFFAOYSA-N 1 3 273.424 1.622 20 30 CDEDHO C[C@@H](CCNC1=[NH+]CCN1C)N(C)Cc1ccccc1 ZINC000284926586 377724373 /nfs/dbraw/zinc/72/43/73/377724373.db2.gz CGXAOOKTQIXGRU-AWEZNQCLSA-N 1 3 274.412 1.788 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417521530 377818404 /nfs/dbraw/zinc/81/84/04/377818404.db2.gz FMEYGLCINLWATN-ZFWWWQNUSA-N 1 3 294.443 1.454 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417536096 377896593 /nfs/dbraw/zinc/89/65/93/377896593.db2.gz XPUYKIMVWIVRBS-CQSZACIVSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000363790830 390494884 /nfs/dbraw/zinc/49/48/84/390494884.db2.gz GRXJJPYXEAOGLC-UHFFFAOYSA-N 1 3 251.418 1.522 20 30 CDEDHO CN(CCCNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000050165483 390818664 /nfs/dbraw/zinc/81/86/64/390818664.db2.gz LJVDVLSQLMUOMU-UHFFFAOYSA-N 1 3 260.385 1.575 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN(C)CCC)CC1 ZINC000359259850 391586436 /nfs/dbraw/zinc/58/64/36/391586436.db2.gz HMOJGESYRMTGTN-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261952067 391739477 /nfs/dbraw/zinc/73/94/77/391739477.db2.gz HRJFGEKUKOSHDQ-SMDDNHRTSA-N 1 3 292.431 1.112 20 30 CDEDHO CN(CCC#N)C(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000131724485 393069773 /nfs/dbraw/zinc/06/97/73/393069773.db2.gz YVEOUFCPIVRMKR-OAHLLOKOSA-N 1 3 294.443 1.555 20 30 CDEDHO CN(CCC#N)C(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000131724485 393069780 /nfs/dbraw/zinc/06/97/80/393069780.db2.gz YVEOUFCPIVRMKR-OAHLLOKOSA-N 1 3 294.443 1.555 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000065407687 393400439 /nfs/dbraw/zinc/40/04/39/393400439.db2.gz KGRCQISMMGYUPR-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173619540 261166424 /nfs/dbraw/zinc/16/64/24/261166424.db2.gz LXXOWAZGFBMMGQ-GFCCVEGCSA-N 1 3 253.390 1.140 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491765416 262017524 /nfs/dbraw/zinc/01/75/24/262017524.db2.gz DDAGSUMVUJPZJX-ZNMIVQPWSA-N 1 3 279.428 1.319 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000491765416 262017525 /nfs/dbraw/zinc/01/75/25/262017525.db2.gz DDAGSUMVUJPZJX-ZNMIVQPWSA-N 1 3 279.428 1.319 20 30 CDEDHO C=CCN(CCC[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414747492 263037611 /nfs/dbraw/zinc/03/76/11/263037611.db2.gz ULHYFNSRXIWEIL-ZDUSSCGKSA-N 1 3 286.383 1.560 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001671753956 1173710151 /nfs/dbraw/zinc/71/01/51/1173710151.db2.gz VPKSFCUMRNAYPY-ZBFHGGJFSA-N 1 3 281.444 1.731 20 30 CDEDHO CN(C)CCN(C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000288763374 328253693 /nfs/dbraw/zinc/25/36/93/328253693.db2.gz SUVDGYWBNKWPCM-UHFFFAOYSA-N 1 3 277.416 1.297 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@@]2(N(C)C)CCC[C@@H](C)C2)N1 ZINC000261579314 329971774 /nfs/dbraw/zinc/97/17/74/329971774.db2.gz PKYMDMFFRPRKNI-MBNYWOFBSA-N 1 3 252.406 1.434 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCC1(C)C ZINC000263190206 330048441 /nfs/dbraw/zinc/04/84/41/330048441.db2.gz YDMMMXRZWLOXPO-VXGBXAGGSA-N 1 3 252.406 1.564 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000444182672 330811104 /nfs/dbraw/zinc/81/11/04/330811104.db2.gz LLUURMLXPMMNCD-KGLIPLIRSA-N 1 3 265.401 1.163 20 30 CDEDHO CCOCCCN1CC[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC000682535142 483276294 /nfs/dbraw/zinc/27/62/94/483276294.db2.gz AQHYEOBZXTWRTM-HOTGVXAUSA-N 1 3 282.428 1.363 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353777314 526445089 /nfs/dbraw/zinc/44/50/89/526445089.db2.gz XQTGJNVIDULJKO-INIZCTEOSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001690103799 1175376714 /nfs/dbraw/zinc/37/67/14/1175376714.db2.gz VQCDMURXOQMAKC-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001690103799 1175376719 /nfs/dbraw/zinc/37/67/19/1175376719.db2.gz VQCDMURXOQMAKC-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981272904 612958394 /nfs/dbraw/zinc/95/83/94/612958394.db2.gz SYHFKIWIIBMWEE-CABCVRRESA-N 1 3 291.439 1.511 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970330035 612994428 /nfs/dbraw/zinc/99/44/28/612994428.db2.gz YQFXKSCCSXRIMP-ZNMIVQPWSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970330035 612994430 /nfs/dbraw/zinc/99/44/30/612994430.db2.gz YQFXKSCCSXRIMP-ZNMIVQPWSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC)CC2(C)C)CC1 ZINC000977660321 613132139 /nfs/dbraw/zinc/13/21/39/613132139.db2.gz YSZPPQBTDITYAP-HNNXBMFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC)CC2(C)C)CC1 ZINC000977660321 613132140 /nfs/dbraw/zinc/13/21/40/613132140.db2.gz YSZPPQBTDITYAP-HNNXBMFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947778404 613224422 /nfs/dbraw/zinc/22/44/22/613224422.db2.gz CJMRBBATAXRJPW-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCN1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981742545 613491618 /nfs/dbraw/zinc/49/16/18/613491618.db2.gz GHLBNFRRXZPFLN-UHFFFAOYSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948246110 613499894 /nfs/dbraw/zinc/49/98/94/613499894.db2.gz VPGFXBNNEPNMTP-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948246110 613499895 /nfs/dbraw/zinc/49/98/95/613499895.db2.gz VPGFXBNNEPNMTP-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330843 613612040 /nfs/dbraw/zinc/61/20/40/613612040.db2.gz IBULEJCKVYUPEV-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330843 613612041 /nfs/dbraw/zinc/61/20/41/613612041.db2.gz IBULEJCKVYUPEV-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013526 613680615 /nfs/dbraw/zinc/68/06/15/613680615.db2.gz UMGGLGWOUVEBTJ-GJZGRUSLSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013526 613680618 /nfs/dbraw/zinc/68/06/18/613680618.db2.gz UMGGLGWOUVEBTJ-GJZGRUSLSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000981485108 613860507 /nfs/dbraw/zinc/86/05/07/613860507.db2.gz GUSUXMPBJHDKOG-CHWSQXEVSA-N 1 3 276.384 1.464 20 30 CDEDHO CC(C)NC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000104168670 617483805 /nfs/dbraw/zinc/48/38/05/617483805.db2.gz JLFDNOIAWVRLGQ-UHFFFAOYSA-N 1 3 274.412 1.748 20 30 CDEDHO CN1CCC[N@H+](CCCNCc2cccc(C#N)n2)CC1 ZINC000894374602 618831655 /nfs/dbraw/zinc/83/16/55/618831655.db2.gz CTKXHZWWVJYWGZ-UHFFFAOYSA-N 1 3 287.411 1.070 20 30 CDEDHO CN1CCC[N@@H+](CCCNCc2cccc(C#N)n2)CC1 ZINC000894374602 618831656 /nfs/dbraw/zinc/83/16/56/618831656.db2.gz CTKXHZWWVJYWGZ-UHFFFAOYSA-N 1 3 287.411 1.070 20 30 CDEDHO C#CCN1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993358 679760869 /nfs/dbraw/zinc/76/08/69/679760869.db2.gz QIDNFZCBLJKWLL-GOEBONIOSA-N 1 3 294.358 1.114 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145330 679809476 /nfs/dbraw/zinc/80/94/76/679809476.db2.gz LSYJYXMAHWOSHI-IHRRRGAJSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145330 679809477 /nfs/dbraw/zinc/80/94/77/679809477.db2.gz LSYJYXMAHWOSHI-IHRRRGAJSA-N 1 3 299.846 1.849 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028317279 681685247 /nfs/dbraw/zinc/68/52/47/681685247.db2.gz ZMDWWYZMHYRIDV-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028317279 681685301 /nfs/dbraw/zinc/68/53/01/681685301.db2.gz ZMDWWYZMHYRIDV-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCN1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997736620 679836310 /nfs/dbraw/zinc/83/63/10/679836310.db2.gz SKOFZWXPFCMIEV-AWEZNQCLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247233 679854630 /nfs/dbraw/zinc/85/46/30/679854630.db2.gz CMKRGCDXOGDWTD-HUUCEWRRSA-N 1 3 291.439 1.627 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001026491587 681578866 /nfs/dbraw/zinc/57/88/66/681578866.db2.gz CHBMTEMIRHFZEU-UYSNPLJNSA-N 1 3 291.439 1.509 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901487 681589606 /nfs/dbraw/zinc/58/96/06/681589606.db2.gz YCAXHDOFHOIHAQ-HNNXBMFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712927 681615886 /nfs/dbraw/zinc/61/58/86/681615886.db2.gz PVSZHVDCUMXBRP-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712927 681615905 /nfs/dbraw/zinc/61/59/05/681615905.db2.gz PVSZHVDCUMXBRP-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564884 681768294 /nfs/dbraw/zinc/76/82/94/681768294.db2.gz HZXWOVGOUWWRNH-DOTOQJQBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046564884 681768310 /nfs/dbraw/zinc/76/83/10/681768310.db2.gz HZXWOVGOUWWRNH-DOTOQJQBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033152671 681833556 /nfs/dbraw/zinc/83/35/56/681833556.db2.gz QUMRGZNMMCNSQY-CVEARBPZSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033152671 681833558 /nfs/dbraw/zinc/83/35/58/681833558.db2.gz QUMRGZNMMCNSQY-CVEARBPZSA-N 1 3 293.455 1.968 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999491570 681959749 /nfs/dbraw/zinc/95/97/49/681959749.db2.gz VZTNAIJPGQCMLE-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)CC1(C)C ZINC000996669471 681979173 /nfs/dbraw/zinc/97/91/73/681979173.db2.gz GAKQBEBWIFIQNO-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034735859 682738441 /nfs/dbraw/zinc/73/84/41/682738441.db2.gz OCGHVPHGOWNMOU-KKUMJFAQSA-N 1 3 279.428 1.674 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001037936181 683072466 /nfs/dbraw/zinc/07/24/66/683072466.db2.gz UMQCEBXAIFPITJ-UKRRQHHQSA-N 1 3 290.411 1.745 20 30 CDEDHO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029001733 683099745 /nfs/dbraw/zinc/09/97/45/683099745.db2.gz BOUZZAGNBDBFNX-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029001733 683099754 /nfs/dbraw/zinc/09/97/54/683099754.db2.gz BOUZZAGNBDBFNX-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993762662 683112398 /nfs/dbraw/zinc/11/23/98/683112398.db2.gz QUKQPMUSLGXDNG-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001824400 683232450 /nfs/dbraw/zinc/23/24/50/683232450.db2.gz FSLHDHKUZXPNRR-GDBMZVCRSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CCN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001824400 683232457 /nfs/dbraw/zinc/23/24/57/683232457.db2.gz FSLHDHKUZXPNRR-GDBMZVCRSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001021094136 683315438 /nfs/dbraw/zinc/31/54/38/683315438.db2.gz LUEUSTGOFVMIQF-KKUMJFAQSA-N 1 3 279.428 1.674 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001005819576 683456311 /nfs/dbraw/zinc/45/63/11/683456311.db2.gz ZGVQFBPRVKGKSF-UHFFFAOYSA-N 1 3 293.455 1.970 20 30 CDEDHO C[NH+]=C(NCCOC)NC[C@H](C)N1CCCC[C@@H]1C ZINC000071804045 683766392 /nfs/dbraw/zinc/76/63/92/683766392.db2.gz MNGHPVFDQZUARE-STQMWFEESA-N 1 3 270.421 1.061 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000303874338 683802808 /nfs/dbraw/zinc/80/28/08/683802808.db2.gz DAGIYPVISJDUQU-OLZOCXBDSA-N 1 3 254.422 1.811 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712928 683871630 /nfs/dbraw/zinc/87/16/30/683871630.db2.gz PVSZHVDCUMXBRP-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712928 683871631 /nfs/dbraw/zinc/87/16/31/683871631.db2.gz PVSZHVDCUMXBRP-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044748528 684096054 /nfs/dbraw/zinc/09/60/54/684096054.db2.gz FBAZJQAKNQKAFN-QWHCGFSZSA-N 1 3 276.384 1.497 20 30 CDEDHO CC#CCN1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573431 684290513 /nfs/dbraw/zinc/29/05/13/684290513.db2.gz ZSLTVTIPHIBPFE-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348527 1158779443 /nfs/dbraw/zinc/77/94/43/1158779443.db2.gz IWNFXGBWOQDWCM-BZUAXINKSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754326023 1159130252 /nfs/dbraw/zinc/13/02/52/1159130252.db2.gz BFQPPEUSCHEDBV-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754326023 1159130257 /nfs/dbraw/zinc/13/02/57/1159130257.db2.gz BFQPPEUSCHEDBV-HZPDHXFCSA-N 1 3 293.455 1.709 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346545 1163643773 /nfs/dbraw/zinc/64/37/73/1163643773.db2.gz MOFFZAQSBNZHPV-JKSUJKDBSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001568379202 1169268774 /nfs/dbraw/zinc/26/87/74/1169268774.db2.gz OKCCIDCBDFOEIF-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCNCCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001754074655 1185450259 /nfs/dbraw/zinc/45/02/59/1185450259.db2.gz AUZMIPPHKOCZDE-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001754826038 1185741971 /nfs/dbraw/zinc/74/19/71/1185741971.db2.gz UITBIHXBHCFRJA-JKSUJKDBSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001755518542 1185977731 /nfs/dbraw/zinc/97/77/31/1185977731.db2.gz QAGHAUSMSRSBPJ-HOTGVXAUSA-N 1 3 293.455 1.757 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134766572 1164102022 /nfs/dbraw/zinc/10/20/22/1164102022.db2.gz IXUFNMGIYCVORB-HNNXBMFYSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980184 912428655 /nfs/dbraw/zinc/42/86/55/912428655.db2.gz ACRJZZWFFYGVCK-KFWWJZLASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980184 912428657 /nfs/dbraw/zinc/42/86/57/912428657.db2.gz ACRJZZWFFYGVCK-KFWWJZLASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983743 912439986 /nfs/dbraw/zinc/43/99/86/912439986.db2.gz MHVIMJMZQNLAEJ-KGLIPLIRSA-N 1 3 277.412 1.237 20 30 CDEDHO C=C(C)C[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001481172344 899049575 /nfs/dbraw/zinc/04/95/75/899049575.db2.gz HLNDZDIAXSJCRI-HNNXBMFYSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001481172344 899049590 /nfs/dbraw/zinc/04/95/90/899049590.db2.gz HLNDZDIAXSJCRI-HNNXBMFYSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C/C=C\Cl)CC1 ZINC001176926636 914360726 /nfs/dbraw/zinc/36/07/26/914360726.db2.gz QYQWVLJKEMMVIQ-CLTKARDFSA-N 1 3 297.830 1.180 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002987 906115238 /nfs/dbraw/zinc/11/52/38/906115238.db2.gz CRQNEGXCYZUSRR-PMPSAXMXSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002987 906115246 /nfs/dbraw/zinc/11/52/46/906115246.db2.gz CRQNEGXCYZUSRR-PMPSAXMXSA-N 1 3 293.455 1.539 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400296 921475748 /nfs/dbraw/zinc/47/57/48/921475748.db2.gz JAEKCZQSRXGETD-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400296 921475750 /nfs/dbraw/zinc/47/57/50/921475750.db2.gz JAEKCZQSRXGETD-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088811167 909517235 /nfs/dbraw/zinc/51/72/35/909517235.db2.gz OQTRBRSUQHQBPB-OAGGEKHMSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088811167 909517249 /nfs/dbraw/zinc/51/72/49/909517249.db2.gz OQTRBRSUQHQBPB-OAGGEKHMSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180121376 916168057 /nfs/dbraw/zinc/16/80/57/916168057.db2.gz MYYUJQHQMGORBS-UHFFFAOYSA-N 1 3 267.417 1.228 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676054 919716924 /nfs/dbraw/zinc/71/69/24/919716924.db2.gz IXGZJZDMKSXPEP-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001186082620 919864008 /nfs/dbraw/zinc/86/40/08/919864008.db2.gz LVPRVLIJPKIUHH-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921523 920755019 /nfs/dbraw/zinc/75/50/19/920755019.db2.gz LMKROXOADTVZDT-MRXNPFEDSA-N 1 3 291.439 1.466 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188139904 920854871 /nfs/dbraw/zinc/85/48/71/920854871.db2.gz UYKZHZJNWKAIGB-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190664834 922108818 /nfs/dbraw/zinc/10/88/18/922108818.db2.gz HCPJJGQBPDCDIM-CABCVRRESA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190664834 922108822 /nfs/dbraw/zinc/10/88/22/922108822.db2.gz HCPJJGQBPDCDIM-CABCVRRESA-N 1 3 279.428 1.435 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C12CCC2 ZINC001203104027 936830373 /nfs/dbraw/zinc/83/03/73/936830373.db2.gz PKUXXTQKTADCKQ-UONOGXRCSA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575102 924962439 /nfs/dbraw/zinc/96/24/39/924962439.db2.gz LRICCPLLDRCMPC-KFWWJZLASA-N 1 3 281.444 1.585 20 30 CDEDHO C#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085024762 925585383 /nfs/dbraw/zinc/58/53/83/925585383.db2.gz BAURFNHYCYPTGG-OWCLPIDISA-N 1 3 291.439 1.129 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102104087 937042245 /nfs/dbraw/zinc/04/22/45/937042245.db2.gz FQMGDUKCHFSVNI-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001102104087 937042248 /nfs/dbraw/zinc/04/22/48/937042248.db2.gz FQMGDUKCHFSVNI-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928532 926516911 /nfs/dbraw/zinc/51/69/11/926516911.db2.gz ZLHXWBGFLOVVPQ-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086497447 927215364 /nfs/dbraw/zinc/21/53/64/927215364.db2.gz MGAGIIACOPBOAV-BZUAXINKSA-N 1 3 293.455 1.920 20 30 CDEDHO CC[NH+]1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001169230853 927836047 /nfs/dbraw/zinc/83/60/47/927836047.db2.gz MMGYBNCEYCEPGS-UHFFFAOYSA-N 1 3 250.321 1.410 20 30 CDEDHO C=CCOC[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252491688 928727752 /nfs/dbraw/zinc/72/77/52/928727752.db2.gz UAPRFWGJYLXYPY-MGPQQGTHSA-N 1 3 256.390 1.012 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001252491688 928727754 /nfs/dbraw/zinc/72/77/54/928727754.db2.gz UAPRFWGJYLXYPY-MGPQQGTHSA-N 1 3 256.390 1.012 20 30 CDEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115159989 937330556 /nfs/dbraw/zinc/33/05/56/937330556.db2.gz MJRPFNOFWIIPJQ-LJIGWXMPSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CCC ZINC001115159989 937330559 /nfs/dbraw/zinc/33/05/59/937330559.db2.gz MJRPFNOFWIIPJQ-LJIGWXMPSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475457 930219178 /nfs/dbraw/zinc/21/91/78/930219178.db2.gz APXRFLOBJVKMLR-GJZGRUSLSA-N 1 3 295.471 1.861 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091360540 932116132 /nfs/dbraw/zinc/11/61/32/932116132.db2.gz HTCKUZIGPKEIRG-CPCZMJQVSA-N 1 3 285.819 1.175 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091360540 932116135 /nfs/dbraw/zinc/11/61/35/932116135.db2.gz HTCKUZIGPKEIRG-CPCZMJQVSA-N 1 3 285.819 1.175 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]CCC)C2)CC1 ZINC001091377708 932121032 /nfs/dbraw/zinc/12/10/32/932121032.db2.gz VEOUXWUYLYWTGV-UHFFFAOYSA-N 1 3 291.439 1.226 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171254340 932143076 /nfs/dbraw/zinc/14/30/76/932143076.db2.gz RDBNXVBSOWESLU-DZGCQCFKSA-N 1 3 279.428 1.224 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171261140 932187652 /nfs/dbraw/zinc/18/76/52/932187652.db2.gz QOOFKVKRKFDGLC-AWEZNQCLSA-N 1 3 279.428 1.369 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC)CC1 ZINC001146609686 932271701 /nfs/dbraw/zinc/27/17/01/932271701.db2.gz GAYSRCIDXLBCFM-CABCVRRESA-N 1 3 293.455 1.615 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147819685 932612905 /nfs/dbraw/zinc/61/29/05/932612905.db2.gz KGWGVWPAPRNWEF-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147819685 932612909 /nfs/dbraw/zinc/61/29/09/932612909.db2.gz KGWGVWPAPRNWEF-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001121909957 937889311 /nfs/dbraw/zinc/88/93/11/937889311.db2.gz DMIPJUPEUSONNX-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO CC#CC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935050 937892087 /nfs/dbraw/zinc/89/20/87/937892087.db2.gz FIEGORJCQSAJHS-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485547 939567376 /nfs/dbraw/zinc/56/73/76/939567376.db2.gz YUFRBSNQXPTBKY-HNNXBMFYSA-N 1 3 293.455 1.779 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793335 939704154 /nfs/dbraw/zinc/70/41/54/939704154.db2.gz SBBJWYKXICIOQQ-GJZGRUSLSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925832 939714006 /nfs/dbraw/zinc/71/40/06/939714006.db2.gz VXQGLFIMMQUMFJ-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925330 939714150 /nfs/dbraw/zinc/71/41/50/939714150.db2.gz MVDPROLIHUJMMS-UHFFFAOYSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206164239 939988918 /nfs/dbraw/zinc/98/89/18/939988918.db2.gz JVTKAQNNNFEFHY-CVEARBPZSA-N 1 3 276.355 1.960 20 30 CDEDHO C#CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206164239 939988921 /nfs/dbraw/zinc/98/89/21/939988921.db2.gz JVTKAQNNNFEFHY-CVEARBPZSA-N 1 3 276.355 1.960 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890284 940107671 /nfs/dbraw/zinc/10/76/71/940107671.db2.gz JQWIDGBUINZUAK-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227817122 942232088 /nfs/dbraw/zinc/23/20/88/942232088.db2.gz JSNIPABUESPVIO-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC001263103388 943745425 /nfs/dbraw/zinc/74/54/25/943745425.db2.gz XPWSCPDYGRFFQW-XBFCOCLRSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001263103388 943745427 /nfs/dbraw/zinc/74/54/27/943745427.db2.gz XPWSCPDYGRFFQW-XBFCOCLRSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001263103388 943745431 /nfs/dbraw/zinc/74/54/31/943745431.db2.gz XPWSCPDYGRFFQW-XBFCOCLRSA-N 1 3 265.401 1.269 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001263106111 943747897 /nfs/dbraw/zinc/74/78/97/943747897.db2.gz LUSQOWXAPSTRBQ-CQSZACIVSA-N 1 3 279.428 1.662 20 30 CDEDHO C=CCOC[C@H](O)CN[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252499235 951377694 /nfs/dbraw/zinc/37/76/94/951377694.db2.gz XNHJHTWNYWEOMX-ZNMIVQPWSA-N 1 3 270.417 1.258 20 30 CDEDHO C=CCOC[C@H](O)CN[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001252499235 951377707 /nfs/dbraw/zinc/37/77/07/951377707.db2.gz XNHJHTWNYWEOMX-ZNMIVQPWSA-N 1 3 270.417 1.258 20 30 CDEDHO C=C[C@@](C)(O)CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001252558450 951452429 /nfs/dbraw/zinc/45/24/29/951452429.db2.gz WUQRWEKWIHZNOT-OAHLLOKOSA-N 1 3 261.369 1.449 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253586500 951976742 /nfs/dbraw/zinc/97/67/42/951976742.db2.gz NVUVLGYTCAQXFJ-KSZLIROESA-N 1 3 286.419 1.987 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001253586500 951976749 /nfs/dbraw/zinc/97/67/49/951976749.db2.gz NVUVLGYTCAQXFJ-KSZLIROESA-N 1 3 286.419 1.987 20 30 CDEDHO C=C[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC001332879804 957911991 /nfs/dbraw/zinc/91/19/91/957911991.db2.gz CQOADRJWLQAOGJ-FFHGMXDLSA-N 1 3 268.401 1.419 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001495469276 972513137 /nfs/dbraw/zinc/51/31/37/972513137.db2.gz DBSIJVFJLDAMOZ-IHRRRGAJSA-N 1 3 267.417 1.530 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001521541311 970313560 /nfs/dbraw/zinc/31/35/60/970313560.db2.gz VQPBUSMVEPPZBJ-CQSZACIVSA-N 1 3 289.379 1.791 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001382586905 977313370 /nfs/dbraw/zinc/31/33/70/977313370.db2.gz JMMPSLNWDDSSPP-UHFFFAOYSA-N 1 3 287.835 1.660 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132436348 1163289702 /nfs/dbraw/zinc/28/97/02/1163289702.db2.gz KUNYURFEJZGPQL-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132436348 1163289708 /nfs/dbraw/zinc/28/97/08/1163289708.db2.gz KUNYURFEJZGPQL-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574852434 1171025791 /nfs/dbraw/zinc/02/57/91/1171025791.db2.gz SNOHMXFKEQZPOS-CHWSQXEVSA-N 1 3 285.819 1.589 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001574852434 1171025799 /nfs/dbraw/zinc/02/57/99/1171025799.db2.gz SNOHMXFKEQZPOS-CHWSQXEVSA-N 1 3 285.819 1.589 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@@H+](C)C(C)C ZINC001574857421 1171028910 /nfs/dbraw/zinc/02/89/10/1171028910.db2.gz SQIKBKUDXLTBDE-NSHDSACASA-N 1 3 261.797 1.303 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[N@H+](C)C(C)C ZINC001574857421 1171028917 /nfs/dbraw/zinc/02/89/17/1171028917.db2.gz SQIKBKUDXLTBDE-NSHDSACASA-N 1 3 261.797 1.303 20 30 CDEDHO CN1CCC(O)(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000077449988 342330532 /nfs/dbraw/zinc/33/05/32/342330532.db2.gz NIEJNRADUNHLSM-UHFFFAOYSA-N 1 3 259.353 1.105 20 30 CDEDHO C[NH2+]C[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000596655027 343372163 /nfs/dbraw/zinc/37/21/63/343372163.db2.gz SCQPNTCJQSFATA-AWEZNQCLSA-N 1 3 286.423 1.720 20 30 CDEDHO CNC[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000596655027 343372164 /nfs/dbraw/zinc/37/21/64/343372164.db2.gz SCQPNTCJQSFATA-AWEZNQCLSA-N 1 3 286.423 1.720 20 30 CDEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000598701816 343889569 /nfs/dbraw/zinc/88/95/69/343889569.db2.gz NIPYDHLDKXTBDV-OLZOCXBDSA-N 1 3 253.390 1.171 20 30 CDEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000598701816 343889571 /nfs/dbraw/zinc/88/95/71/343889571.db2.gz NIPYDHLDKXTBDV-OLZOCXBDSA-N 1 3 253.390 1.171 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000565360313 370427920 /nfs/dbraw/zinc/42/79/20/370427920.db2.gz BOFIAUCPWXWUFT-ARFHVFGLSA-N 1 3 293.455 1.799 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000185367341 372662872 /nfs/dbraw/zinc/66/28/72/372662872.db2.gz YGCRNIMIXWDJPE-OAHLLOKOSA-N 1 3 253.434 1.958 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417543964 377931192 /nfs/dbraw/zinc/93/11/92/377931192.db2.gz VLYDEGHDYISJSP-DZGCQCFKSA-N 1 3 294.443 1.454 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000417536697 377900591 /nfs/dbraw/zinc/90/05/91/377900591.db2.gz KMKBRYXMDNLLMS-LBPRGKRZSA-N 1 3 268.405 1.063 20 30 CDEDHO CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339053776 391247416 /nfs/dbraw/zinc/24/74/16/391247416.db2.gz IUDKSKUIIXYHFV-GDBMZVCRSA-N 1 3 278.444 1.636 20 30 CDEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339053776 391247419 /nfs/dbraw/zinc/24/74/19/391247419.db2.gz IUDKSKUIIXYHFV-GDBMZVCRSA-N 1 3 278.444 1.636 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccccn1 ZINC000269371613 391248104 /nfs/dbraw/zinc/24/81/04/391248104.db2.gz MIDIFZYZOFDFLZ-OAHLLOKOSA-N 1 3 289.427 1.403 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[NH2+]C)C(C)C ZINC000237229730 131015607 /nfs/dbraw/zinc/01/56/07/131015607.db2.gz XCSPJIRWAHJDFI-ZDUSSCGKSA-N 1 3 253.390 1.021 20 30 CDEDHO C[NH2+]CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000234347857 140229871 /nfs/dbraw/zinc/22/98/71/140229871.db2.gz SJSVMDPNZKPPGS-UHFFFAOYSA-N 1 3 273.380 1.998 20 30 CDEDHO CC(C)(C)N1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000353995713 156213287 /nfs/dbraw/zinc/21/32/87/156213287.db2.gz LBEJRYXJWWJLJU-UHFFFAOYSA-N 1 3 276.388 1.002 20 30 CDEDHO C[NH+]=C(NCc1cc(C)no1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158197208 261161030 /nfs/dbraw/zinc/16/10/30/261161030.db2.gz DGBDNCAKHULQDQ-FZMZJTMJSA-N 1 3 293.415 1.377 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000106271861 261324855 /nfs/dbraw/zinc/32/48/55/261324855.db2.gz XOWDYVRXZSQJMT-UHFFFAOYSA-N 1 3 296.459 1.666 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000106271861 261324857 /nfs/dbraw/zinc/32/48/57/261324857.db2.gz XOWDYVRXZSQJMT-UHFFFAOYSA-N 1 3 296.459 1.666 20 30 CDEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCC#N ZINC000371292624 267383115 /nfs/dbraw/zinc/38/31/15/267383115.db2.gz CNODBCWMKXTDEZ-KFWWJZLASA-N 1 3 265.401 1.864 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)nc1 ZINC000264078820 328157304 /nfs/dbraw/zinc/15/73/04/328157304.db2.gz GQLRQUSTQHBRDM-CQSZACIVSA-N 1 3 275.400 1.279 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000264148402 328157909 /nfs/dbraw/zinc/15/79/09/328157909.db2.gz YPLYFXYBJGUDII-UHFFFAOYSA-N 1 3 274.412 1.989 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000261975385 329993134 /nfs/dbraw/zinc/99/31/34/329993134.db2.gz FSCXXZAXOBTTGV-UKRRQHHQSA-N 1 3 266.433 1.977 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC(C)(C)N2C[C@H](C)C[C@H](C)C2)N1 ZINC000262471747 330015607 /nfs/dbraw/zinc/01/56/07/330015607.db2.gz BFLQWMMGQIIUIB-XQQFMLRXSA-N 1 3 266.433 1.680 20 30 CDEDHO C[NH+]=C(NCC1(O)CCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262814726 330033716 /nfs/dbraw/zinc/03/37/16/330033716.db2.gz WKVRFKWEJNXUIC-CQSZACIVSA-N 1 3 294.443 1.037 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC1(F)F ZINC000263177444 330047371 /nfs/dbraw/zinc/04/73/71/330047371.db2.gz SWKLYPRCNQCEAP-VXGBXAGGSA-N 1 3 288.386 1.810 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCC1(C)C ZINC000263190205 330048407 /nfs/dbraw/zinc/04/84/07/330048407.db2.gz YDMMMXRZWLOXPO-RYUDHWBXSA-N 1 3 252.406 1.564 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000424131613 330263766 /nfs/dbraw/zinc/26/37/66/330263766.db2.gz JJOVGOBDAZVRPS-OAHLLOKOSA-N 1 3 292.427 1.531 20 30 CDEDHO CCCC[NH+]1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424151692 330297205 /nfs/dbraw/zinc/29/72/05/330297205.db2.gz HOKGOMKVBHNNBI-CQSZACIVSA-N 1 3 280.416 1.388 20 30 CDEDHO C=CCN1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000237809223 482762613 /nfs/dbraw/zinc/76/26/13/482762613.db2.gz BLKVMZOWLQMGKU-UHFFFAOYSA-N 1 3 251.374 1.025 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499275 1162196796 /nfs/dbraw/zinc/19/67/96/1162196796.db2.gz QXGWJIOLHLHRDW-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001113499275 1162196799 /nfs/dbraw/zinc/19/67/99/1162196799.db2.gz QXGWJIOLHLHRDW-OAHLLOKOSA-N 1 3 281.444 1.827 20 30 CDEDHO CN(Cc1ccnc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000068766871 523452260 /nfs/dbraw/zinc/45/22/60/523452260.db2.gz ZRWONPOURQCOKC-UHFFFAOYSA-N 1 3 258.369 1.727 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974991005 613341253 /nfs/dbraw/zinc/34/12/53/613341253.db2.gz AXFKIEPCSJOEBX-HNNXBMFYSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969145107 613686220 /nfs/dbraw/zinc/68/62/20/613686220.db2.gz YEWYKSXMXOQJDY-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969145107 613686221 /nfs/dbraw/zinc/68/62/21/613686221.db2.gz YEWYKSXMXOQJDY-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO CN(CCCN(C)Cc1csc(C#N)c1)CC[NH+](C)C ZINC000894524597 618939613 /nfs/dbraw/zinc/93/96/13/618939613.db2.gz ZNQPFOQBANVRIC-UHFFFAOYSA-N 1 3 294.468 1.935 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911824376 629552712 /nfs/dbraw/zinc/55/27/12/629552712.db2.gz NNSJEGWFDHQFDA-XQQFMLRXSA-N 1 3 253.390 1.256 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071795806 685304965 /nfs/dbraw/zinc/30/49/65/685304965.db2.gz NPQBMYOHOLVGCC-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC001006001864 685325096 /nfs/dbraw/zinc/32/50/96/685325096.db2.gz SHFDNNAQQUYRIX-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873262 685465565 /nfs/dbraw/zinc/46/55/65/685465565.db2.gz UCYFYISEZUMGHH-ZBFHGGJFSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393013 684351471 /nfs/dbraw/zinc/35/14/71/684351471.db2.gz CZNRJRXIEZAKBF-BZUAXINKSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393013 684351479 /nfs/dbraw/zinc/35/14/79/684351479.db2.gz CZNRJRXIEZAKBF-BZUAXINKSA-N 1 3 291.439 1.321 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CCC1 ZINC000193299511 684435393 /nfs/dbraw/zinc/43/53/93/684435393.db2.gz YFHKGHJWADMVKH-LBPRGKRZSA-N 1 3 284.473 1.661 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001026366844 684706256 /nfs/dbraw/zinc/70/62/56/684706256.db2.gz QZAITHHMOIFEIK-NWANDNLSSA-N 1 3 288.395 1.355 20 30 CDEDHO C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001006441915 684816659 /nfs/dbraw/zinc/81/66/59/684816659.db2.gz GOKAZCHAJZLKFN-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003629423 684854388 /nfs/dbraw/zinc/85/43/88/684854388.db2.gz AJZRBNNGDHKEID-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO N#Cc1ccc([C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000818945452 686154911 /nfs/dbraw/zinc/15/49/11/686154911.db2.gz GMHBBFVBTVZEJL-QGZVFWFLSA-N 1 3 285.391 1.808 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000381292 686182221 /nfs/dbraw/zinc/18/22/21/686182221.db2.gz YEHOVHINEFNABS-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=C)C)C2)CC1 ZINC001023128113 686243306 /nfs/dbraw/zinc/24/33/06/686243306.db2.gz PVICKAOMDLELND-IYBDPMFKSA-N 1 3 289.423 1.145 20 30 CDEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005990381 686243971 /nfs/dbraw/zinc/24/39/71/686243971.db2.gz FWVXHMRBKSGMMY-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796934 686281336 /nfs/dbraw/zinc/28/13/36/686281336.db2.gz UAVHHEMGQSYEJL-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001332 686622378 /nfs/dbraw/zinc/62/23/78/686622378.db2.gz VEUDRUHCPXQZLR-INIZCTEOSA-N 1 3 299.418 1.433 20 30 CDEDHO C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001332 686622385 /nfs/dbraw/zinc/62/23/85/686622385.db2.gz VEUDRUHCPXQZLR-INIZCTEOSA-N 1 3 299.418 1.433 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001036055971 686821138 /nfs/dbraw/zinc/82/11/38/686821138.db2.gz SECJLUQZIFSPMW-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072851349 686821463 /nfs/dbraw/zinc/82/14/63/686821463.db2.gz RVPKIXMYKHWDGB-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072851349 686821464 /nfs/dbraw/zinc/82/14/64/686821464.db2.gz RVPKIXMYKHWDGB-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449634 686857627 /nfs/dbraw/zinc/85/76/27/686857627.db2.gz FCCXKNNENRLLNO-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449634 686857631 /nfs/dbraw/zinc/85/76/31/686857631.db2.gz FCCXKNNENRLLNO-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997009828 687302726 /nfs/dbraw/zinc/30/27/26/687302726.db2.gz OFDQJQCEKGVXLC-ZDUSSCGKSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCN1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992149935 687362587 /nfs/dbraw/zinc/36/25/87/687362587.db2.gz 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C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029004064 688104854 /nfs/dbraw/zinc/10/48/54/688104854.db2.gz SPBGPLHBCRXUIK-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029004064 688104860 /nfs/dbraw/zinc/10/48/60/688104860.db2.gz SPBGPLHBCRXUIK-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052711975 688172574 /nfs/dbraw/zinc/17/25/74/688172574.db2.gz CIDJBEOSIPIQBI-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052711975 688172582 /nfs/dbraw/zinc/17/25/82/688172582.db2.gz CIDJBEOSIPIQBI-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086364560 1161974133 /nfs/dbraw/zinc/97/41/33/1161974133.db2.gz JOCWCDVNVXEKQP-BZUAXINKSA-N 1 3 293.455 1.920 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001700184672 1176789676 /nfs/dbraw/zinc/78/96/76/1176789676.db2.gz 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ZINC001266353088 894517563 /nfs/dbraw/zinc/51/75/63/894517563.db2.gz OCUFPLRCPOFZPR-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260743 894988944 /nfs/dbraw/zinc/98/89/44/894988944.db2.gz HWSOIJJFDKUEQC-AWEZNQCLSA-N 1 3 281.444 1.779 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104290521 895421946 /nfs/dbraw/zinc/42/19/46/895421946.db2.gz BHRKSLQAEILPAM-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167628369 897098202 /nfs/dbraw/zinc/09/82/02/897098202.db2.gz ZZUCUQPLVMBVAJ-CQSZACIVSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1n[nH]c2ccccc21 ZINC000694017199 897945961 /nfs/dbraw/zinc/94/59/61/897945961.db2.gz YFWYSFZCULIWGC-UHFFFAOYSA-N 1 3 256.353 1.608 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1n[nH]c2ccccc21 ZINC000694017199 897945971 /nfs/dbraw/zinc/94/59/71/897945971.db2.gz YFWYSFZCULIWGC-UHFFFAOYSA-N 1 3 256.353 1.608 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC(=C)C)CC1 ZINC001176925854 914358346 /nfs/dbraw/zinc/35/83/46/914358346.db2.gz CNQLFUVVRKWIMR-UHFFFAOYSA-N 1 3 291.439 1.394 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986244 914414611 /nfs/dbraw/zinc/41/46/11/914414611.db2.gz ITNQIYXZUKQAPD-ZDUSSCGKSA-N 1 3 287.835 1.709 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)[C@H]1C ZINC001088605077 908216439 /nfs/dbraw/zinc/21/64/39/908216439.db2.gz GFESKIRLAREHJX-PMPSAXMXSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)[C@H]1C ZINC001088605077 908216443 /nfs/dbraw/zinc/21/64/43/908216443.db2.gz GFESKIRLAREHJX-PMPSAXMXSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606796 908953681 /nfs/dbraw/zinc/95/36/81/908953681.db2.gz VBFKCVRJSRQBNF-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN(CC[N@@H+]1CC[C@H](N)[C@@H](F)CC1)C(=O)OCC ZINC001206154310 911182601 /nfs/dbraw/zinc/18/26/01/911182601.db2.gz IUPPMZWDZZIDNG-STQMWFEESA-N 1 3 287.379 1.392 20 30 CDEDHO C=CCN(CC[N@H+]1CC[C@H](N)[C@@H](F)CC1)C(=O)OCC ZINC001206154310 911182614 /nfs/dbraw/zinc/18/26/14/911182614.db2.gz IUPPMZWDZZIDNG-STQMWFEESA-N 1 3 287.379 1.392 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709441 921667487 /nfs/dbraw/zinc/66/74/87/921667487.db2.gz RBFDPKKGPNUWLK-UHFFFAOYSA-N 1 3 279.428 1.629 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178815945 915662165 /nfs/dbraw/zinc/66/21/65/915662165.db2.gz PCAQNEHUBCHHIS-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910891 915667354 /nfs/dbraw/zinc/66/73/54/915667354.db2.gz UITBIHXBHCFRJA-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179983395 916102135 /nfs/dbraw/zinc/10/21/35/916102135.db2.gz ZQUIODBZSROMGX-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184557205 919192425 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C=CCN(C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191543180 922628334 /nfs/dbraw/zinc/62/83/34/922628334.db2.gz KRZGNIDKKCUMCA-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524955 937062994 /nfs/dbraw/zinc/06/29/94/937062994.db2.gz FNCXEAKPVOFMGC-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102524955 937062997 /nfs/dbraw/zinc/06/29/97/937062997.db2.gz FNCXEAKPVOFMGC-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(C)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192300 937223143 /nfs/dbraw/zinc/22/31/43/937223143.db2.gz CTLZQXFWNNWWHA-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803042 928638030 /nfs/dbraw/zinc/63/80/30/928638030.db2.gz UUNVWIABPJRLDS-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427331 928931965 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C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824524 937474230 /nfs/dbraw/zinc/47/42/30/937474230.db2.gz SNVVIYQCDJEXHE-UKRRQHHQSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824524 937474233 /nfs/dbraw/zinc/47/42/33/937474233.db2.gz SNVVIYQCDJEXHE-UKRRQHHQSA-N 1 3 281.444 1.729 20 30 CDEDHO C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001171224997 932029380 /nfs/dbraw/zinc/02/93/80/932029380.db2.gz WNYKQXOTVRANGU-RRQGHBQHSA-N 1 3 269.392 1.983 20 30 CDEDHO C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001171224997 932029385 /nfs/dbraw/zinc/02/93/85/932029385.db2.gz WNYKQXOTVRANGU-RRQGHBQHSA-N 1 3 269.392 1.983 20 30 CDEDHO C#CCNCCNC(=O)CCC[NH+](CCC)CCC ZINC001147449626 932518156 /nfs/dbraw/zinc/51/81/56/932518156.db2.gz VZQLZWAWQIZPHT-UHFFFAOYSA-N 1 3 267.417 1.228 20 30 CDEDHO C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001095694430 932751497 /nfs/dbraw/zinc/75/14/97/932751497.db2.gz ZXAZZYNIHRVFEC-KBMXLJTQSA-N 1 3 296.374 1.855 20 30 CDEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001095694430 932751503 /nfs/dbraw/zinc/75/15/03/932751503.db2.gz ZXAZZYNIHRVFEC-KBMXLJTQSA-N 1 3 296.374 1.855 20 30 CDEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001095694430 932751508 /nfs/dbraw/zinc/75/15/08/932751508.db2.gz ZXAZZYNIHRVFEC-KBMXLJTQSA-N 1 3 296.374 1.855 20 30 CDEDHO CC[N@@H+]1CC[C@@H](NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166099 933049164 /nfs/dbraw/zinc/04/91/64/933049164.db2.gz UBGBRNDVBAQTJX-DZGCQCFKSA-N 1 3 287.411 1.685 20 30 CDEDHO CC[N@H+]1CC[C@@H](NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166099 933049170 /nfs/dbraw/zinc/04/91/70/933049170.db2.gz UBGBRNDVBAQTJX-DZGCQCFKSA-N 1 3 287.411 1.685 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114849230 935030319 /nfs/dbraw/zinc/03/03/19/935030319.db2.gz MMVUDUZLUZCKAX-LJISPDSOSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001114849230 935030326 /nfs/dbraw/zinc/03/03/26/935030326.db2.gz MMVUDUZLUZCKAX-LJISPDSOSA-N 1 3 279.428 1.339 20 30 CDEDHO CC#CCN1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046451278 935952821 /nfs/dbraw/zinc/95/28/21/935952821.db2.gz ZOFZOEJYNISZAK-KRWDZBQOSA-N 1 3 296.374 1.552 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628782 938742436 /nfs/dbraw/zinc/74/24/36/938742436.db2.gz PWMMXYSHSPHSSC-MRXNPFEDSA-N 1 3 289.423 1.242 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628782 938742437 /nfs/dbraw/zinc/74/24/37/938742437.db2.gz PWMMXYSHSPHSSC-MRXNPFEDSA-N 1 3 289.423 1.242 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165509366 939567791 /nfs/dbraw/zinc/56/77/91/939567791.db2.gz ZHLWPWVQIDAWHM-UHFFFAOYSA-N 1 3 279.428 1.533 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205548487 939900435 /nfs/dbraw/zinc/90/04/35/939900435.db2.gz CLOLMWURJRHFPJ-UHFFFAOYSA-N 1 3 293.455 1.568 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890145 940108165 /nfs/dbraw/zinc/10/81/65/940108165.db2.gz BIESTXLJALHLTI-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=CCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001209162778 940441686 /nfs/dbraw/zinc/44/16/86/940441686.db2.gz MLJFYRZUDFXLAY-UHFFFAOYSA-N 1 3 251.418 1.666 20 30 CDEDHO C#CCCC[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001209269492 940455538 /nfs/dbraw/zinc/45/55/38/940455538.db2.gz MLBIVOWVJAEJRU-UHFFFAOYSA-N 1 3 277.412 1.062 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209486501 940595199 /nfs/dbraw/zinc/59/51/99/940595199.db2.gz ZCYGRDPZQFFICG-HUUCEWRRSA-N 1 3 279.428 1.177 20 30 CDEDHO N#Cc1c[nH]c2cc(NC(=O)[C@H](N)CCC[NH3+])ccc12 ZINC001219044413 941302094 /nfs/dbraw/zinc/30/20/94/941302094.db2.gz DBRRADYRGCELAG-GFCCVEGCSA-N 1 3 271.324 1.044 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220094951 941412341 /nfs/dbraw/zinc/41/23/41/941412341.db2.gz OPTYDUAJZDDEFR-IHRRRGAJSA-N 1 3 280.416 1.244 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962661 941556586 /nfs/dbraw/zinc/55/65/86/941556586.db2.gz OHUXZFWSRSZXIF-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223525424 941684049 /nfs/dbraw/zinc/68/40/49/941684049.db2.gz UJLSVJNZABIWAF-HNNXBMFYSA-N 1 3 281.444 1.587 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC001246182229 948013928 /nfs/dbraw/zinc/01/39/28/948013928.db2.gz ZHIJGQUCXLMYMZ-UHFFFAOYSA-N 1 3 298.434 1.864 20 30 CDEDHO C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252465314 951309877 /nfs/dbraw/zinc/30/98/77/951309877.db2.gz DRJULSOBDNAJOX-IRXDYDNUSA-N 1 3 296.455 1.890 20 30 CDEDHO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252465314 951309888 /nfs/dbraw/zinc/30/98/88/951309888.db2.gz DRJULSOBDNAJOX-IRXDYDNUSA-N 1 3 296.455 1.890 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340946631 963206547 /nfs/dbraw/zinc/20/65/47/963206547.db2.gz XYAPGPSTONCVAW-GJZGRUSLSA-N 1 3 299.459 1.559 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001341618345 963484343 /nfs/dbraw/zinc/48/43/43/963484343.db2.gz HTEMLKYXOYLKCY-HZPDHXFCSA-N 1 3 293.455 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001341618345 963484351 /nfs/dbraw/zinc/48/43/51/963484351.db2.gz HTEMLKYXOYLKCY-HZPDHXFCSA-N 1 3 293.455 1.860 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001358025224 969680153 /nfs/dbraw/zinc/68/01/53/969680153.db2.gz YCMJXJRMBCVZTF-HZPDHXFCSA-N 1 3 287.407 1.501 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347263 1163647958 /nfs/dbraw/zinc/64/79/58/1163647958.db2.gz VSIZTLSIBNSRDC-HOTGVXAUSA-N 1 3 293.455 1.424 20 30 CDEDHO CC#CC[C@H](N)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001574961972 1171063152 /nfs/dbraw/zinc/06/31/52/1171063152.db2.gz CBJPTXUBWIZRIH-KGLIPLIRSA-N 1 3 267.417 1.354 20 30 CDEDHO C[C@@H](CCNC(=O)[C@@H](N)CCCC#N)[NH+]1CCCCC1 ZINC001575962536 1171305357 /nfs/dbraw/zinc/30/53/57/1171305357.db2.gz SWCQKQMQBZHFQS-KBPBESRZSA-N 1 3 280.416 1.388 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000333571172 539052759 /nfs/dbraw/zinc/05/27/59/539052759.db2.gz UDOUDZWUMXFWDX-OEAJRASXSA-N 1 3 277.412 1.646 20 30 CDEDHO C=CCCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531122409 342352433 /nfs/dbraw/zinc/35/24/33/342352433.db2.gz TYBCLCXOSFZSBC-UHFFFAOYSA-N 1 3 255.406 1.295 20 30 CDEDHO C[C@H](CCC#N)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000602476686 344444427 /nfs/dbraw/zinc/44/44/27/344444427.db2.gz UQOLWRMLDWDMKF-CQSZACIVSA-N 1 3 267.417 1.969 20 30 CDEDHO COCC[C@H]([NH3+])CNC(C)(C)Cc1ccc(C#N)cc1 ZINC001579003186 1172076460 /nfs/dbraw/zinc/07/64/60/1172076460.db2.gz ZLPOJUVEBJIBPG-HNNXBMFYSA-N 1 3 275.396 1.833 20 30 CDEDHO COc1cc(C#N)ccc1OCCN[C@@](C)(C[NH3+])C(C)C ZINC001579139177 1172104099 /nfs/dbraw/zinc/10/40/99/1172104099.db2.gz OKBYTWFPMSIZHS-INIZCTEOSA-N 1 3 291.395 1.909 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1O ZINC000264100150 362967107 /nfs/dbraw/zinc/96/71/07/362967107.db2.gz NWDMRTXZPYVAFI-CQSZACIVSA-N 1 3 290.411 1.323 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C)n1 ZINC000264115236 362970255 /nfs/dbraw/zinc/97/02/55/362970255.db2.gz PPHPLLCWHUHEMI-CYBMUJFWSA-N 1 3 295.456 1.383 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092799486 360285745 /nfs/dbraw/zinc/28/57/45/360285745.db2.gz IGSFTOGLEYBGJZ-AWEZNQCLSA-N 1 3 280.416 1.022 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092799486 360285749 /nfs/dbraw/zinc/28/57/49/360285749.db2.gz IGSFTOGLEYBGJZ-AWEZNQCLSA-N 1 3 280.416 1.022 20 30 CDEDHO C[C@@H](CC[NH+](C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349872109 360956334 /nfs/dbraw/zinc/95/63/34/360956334.db2.gz BSFUDULTYFUZDI-BBRMVZONSA-N 1 3 298.390 1.697 20 30 CDEDHO C=CCN1CC[C@H](N2CCCC3(CC[NH+](C)CC3)C2)C1=O ZINC000366899347 391168938 /nfs/dbraw/zinc/16/89/38/391168938.db2.gz BQBQLFKDHDSVHD-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345807526 391311624 /nfs/dbraw/zinc/31/16/24/391311624.db2.gz QFMIXUOYWFLMJK-HOCLYGCPSA-N 1 3 285.391 1.827 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345807526 391311625 /nfs/dbraw/zinc/31/16/25/391311625.db2.gz QFMIXUOYWFLMJK-HOCLYGCPSA-N 1 3 285.391 1.827 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000065407701 393400855 /nfs/dbraw/zinc/40/08/55/393400855.db2.gz LTUVRCKYVKKEFO-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000065407701 393400860 /nfs/dbraw/zinc/40/08/60/393400860.db2.gz LTUVRCKYVKKEFO-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO CN1CCC(O)(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000330677542 261153672 /nfs/dbraw/zinc/15/36/72/261153672.db2.gz VIVCZEQEAQKTNW-UHFFFAOYSA-N 1 3 253.390 1.363 20 30 CDEDHO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759130 263039702 /nfs/dbraw/zinc/03/97/02/263039702.db2.gz NUZQGEHWVZRQGK-ZIAGYGMSSA-N 1 3 265.401 1.224 20 30 CDEDHO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759130 263039703 /nfs/dbraw/zinc/03/97/03/263039703.db2.gz NUZQGEHWVZRQGK-ZIAGYGMSSA-N 1 3 265.401 1.224 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCOC(C)(C)C1 ZINC000263026488 330039136 /nfs/dbraw/zinc/03/91/36/330039136.db2.gz ASMKNLQRFZTRDY-KBPBESRZSA-N 1 3 296.459 1.580 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422597875 330149727 /nfs/dbraw/zinc/14/97/27/330149727.db2.gz MBGUGVYBLUOGMP-UHFFFAOYSA-N 1 3 282.432 1.454 20 30 CDEDHO N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000424071379 330219888 /nfs/dbraw/zinc/21/98/88/330219888.db2.gz BHBCOJHCSUFIHA-AWEZNQCLSA-N 1 3 272.352 1.292 20 30 CDEDHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(C)C#N ZINC000452346420 331062875 /nfs/dbraw/zinc/06/28/75/331062875.db2.gz VOKKSUDEFXDJPQ-OLZOCXBDSA-N 1 3 251.374 1.773 20 30 CDEDHO C#CCNC(=O)CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491802971 332356869 /nfs/dbraw/zinc/35/68/69/332356869.db2.gz HQXJJTSJUZGKRA-QGZVFWFLSA-N 1 3 299.418 1.238 20 30 CDEDHO C#CCNC(=O)CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491802971 332356872 /nfs/dbraw/zinc/35/68/72/332356872.db2.gz HQXJJTSJUZGKRA-QGZVFWFLSA-N 1 3 299.418 1.238 20 30 CDEDHO C=CCN1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)C1=O ZINC000352809278 526512743 /nfs/dbraw/zinc/51/27/43/526512743.db2.gz GPGSFQNRHRLGPM-AWEZNQCLSA-N 1 3 265.401 1.236 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000970169169 612963494 /nfs/dbraw/zinc/96/34/94/612963494.db2.gz QNJQFZRRAAZQFW-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792525 613299621 /nfs/dbraw/zinc/29/96/21/613299621.db2.gz KEKSLEFWEZHVNG-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969792525 613299623 /nfs/dbraw/zinc/29/96/23/613299623.db2.gz KEKSLEFWEZHVNG-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980476540 613617541 /nfs/dbraw/zinc/61/75/41/613617541.db2.gz SNDXUVXLJTZIPS-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980476540 613617542 /nfs/dbraw/zinc/61/75/42/613617542.db2.gz SNDXUVXLJTZIPS-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739071 629459734 /nfs/dbraw/zinc/45/97/34/629459734.db2.gz PJERVSYRNGMWNH-KGLIPLIRSA-N 1 3 269.433 1.872 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000911778265 629493887 /nfs/dbraw/zinc/49/38/87/629493887.db2.gz PCAIJUFDVBIQOY-CYBMUJFWSA-N 1 3 253.390 1.128 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999153232 693898302 /nfs/dbraw/zinc/89/83/02/693898302.db2.gz NOFJHTKJEXJWOR-OAHLLOKOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001021091866 688241176 /nfs/dbraw/zinc/24/11/76/688241176.db2.gz YHJUPDXIDKBLLK-WKILWMFISA-N 1 3 285.391 1.232 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130660582 694219628 /nfs/dbraw/zinc/21/96/28/694219628.db2.gz LAQZUCAIPHEGIU-CQSZACIVSA-N 1 3 278.444 1.955 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042872 688716666 /nfs/dbraw/zinc/71/66/66/688716666.db2.gz MTZRIGCKRZPVBH-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042872 688716675 /nfs/dbraw/zinc/71/66/75/688716675.db2.gz MTZRIGCKRZPVBH-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847343 688735330 /nfs/dbraw/zinc/73/53/30/688735330.db2.gz VNYOTCRQAKWZOQ-HUUCEWRRSA-N 1 3 289.423 1.334 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046564887 688804566 /nfs/dbraw/zinc/80/45/66/688804566.db2.gz HZXWOVGOUWWRNH-WBVHZDCISA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046564887 688804569 /nfs/dbraw/zinc/80/45/69/688804569.db2.gz HZXWOVGOUWWRNH-WBVHZDCISA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCN1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041680722 688814111 /nfs/dbraw/zinc/81/41/11/688814111.db2.gz VBMPMWXTGAATKI-WBVHZDCISA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCN1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041680722 688814113 /nfs/dbraw/zinc/81/41/13/688814113.db2.gz VBMPMWXTGAATKI-WBVHZDCISA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447400 694355375 /nfs/dbraw/zinc/35/53/75/694355375.db2.gz VXRHHGFUTMALIX-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447400 694355378 /nfs/dbraw/zinc/35/53/78/694355378.db2.gz VXRHHGFUTMALIX-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860665 692844166 /nfs/dbraw/zinc/84/41/66/692844166.db2.gz KDXXZNLOLSDDEJ-GOEBONIOSA-N 1 3 262.397 1.585 20 30 CDEDHO C#CCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000851860665 692844167 /nfs/dbraw/zinc/84/41/67/692844167.db2.gz KDXXZNLOLSDDEJ-GOEBONIOSA-N 1 3 262.397 1.585 20 30 CDEDHO N#Cc1ccc([C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037904437 692852199 /nfs/dbraw/zinc/85/21/99/692852199.db2.gz KODSIHCAMZMQOU-PBHICJAKSA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037904437 692852200 /nfs/dbraw/zinc/85/22/00/692852200.db2.gz KODSIHCAMZMQOU-PBHICJAKSA-N 1 3 285.391 1.666 20 30 CDEDHO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037904437 692852201 /nfs/dbraw/zinc/85/22/01/692852201.db2.gz KODSIHCAMZMQOU-PBHICJAKSA-N 1 3 285.391 1.666 20 30 CDEDHO C#CCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000851860664 692988181 /nfs/dbraw/zinc/98/81/81/692988181.db2.gz KDXXZNLOLSDDEJ-GDBMZVCRSA-N 1 3 262.397 1.585 20 30 CDEDHO C#CCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860664 692988178 /nfs/dbraw/zinc/98/81/78/692988178.db2.gz KDXXZNLOLSDDEJ-GDBMZVCRSA-N 1 3 262.397 1.585 20 30 CDEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])N(C)C2CC2)(N(C)C)C1 ZINC000305816029 693305315 /nfs/dbraw/zinc/30/53/15/693305315.db2.gz MGEPWXQGBFERBP-DOMZBBRYSA-N 1 3 266.433 1.906 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000303888192 693469273 /nfs/dbraw/zinc/46/92/73/693469273.db2.gz OTBQWKZZRWVNFD-CQSZACIVSA-N 1 3 282.432 1.288 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510599 694750168 /nfs/dbraw/zinc/75/01/68/694750168.db2.gz RYLIKMQUDHDUAR-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009510599 694750172 /nfs/dbraw/zinc/75/01/72/694750172.db2.gz RYLIKMQUDHDUAR-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023367150 694822357 /nfs/dbraw/zinc/82/23/57/694822357.db2.gz WIOAFZRYFLLQKU-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001023367150 694822358 /nfs/dbraw/zinc/82/23/58/694822358.db2.gz WIOAFZRYFLLQKU-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606933 694840017 /nfs/dbraw/zinc/84/00/17/694840017.db2.gz XCOJEDYGPVCVBB-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034042905 694872826 /nfs/dbraw/zinc/87/28/26/694872826.db2.gz RSNBYRKECNFUND-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034042905 694872828 /nfs/dbraw/zinc/87/28/28/694872828.db2.gz RSNBYRKECNFUND-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996301205 694878257 /nfs/dbraw/zinc/87/82/57/694878257.db2.gz SDWMSAYTSBXODP-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926116248 695043244 /nfs/dbraw/zinc/04/32/44/695043244.db2.gz QTCKGPRQFPXQPX-GOOCMWNKSA-N 1 3 268.401 1.420 20 30 CDEDHO C=CCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926116248 695043247 /nfs/dbraw/zinc/04/32/47/695043247.db2.gz QTCKGPRQFPXQPX-GOOCMWNKSA-N 1 3 268.401 1.420 20 30 CDEDHO CC#CCNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131822285 1163063141 /nfs/dbraw/zinc/06/31/41/1163063141.db2.gz LSDOJEFGWOPQQB-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO CC#CCNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131822285 1163063149 /nfs/dbraw/zinc/06/31/49/1163063149.db2.gz LSDOJEFGWOPQQB-UHFFFAOYSA-N 1 3 279.428 1.370 20 30 CDEDHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001755385685 1160124575 /nfs/dbraw/zinc/12/45/75/1160124575.db2.gz AYHPCDHMTJHALL-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132884806 1163499817 /nfs/dbraw/zinc/49/98/17/1163499817.db2.gz WGUBTUMDCSSODJ-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888922 1163500685 /nfs/dbraw/zinc/50/06/85/1163500685.db2.gz SUPDNDDQNOZXIO-LSDHHAIUSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133191660 1163602480 /nfs/dbraw/zinc/60/24/80/1163602480.db2.gz RFBUUDYBFCSMSC-CABCVRRESA-N 1 3 279.428 1.036 20 30 CDEDHO N#Cc1cncc(C[NH2+][C@H](CN)C2CCCCC2)c1 ZINC001580081692 1172344728 /nfs/dbraw/zinc/34/47/28/1172344728.db2.gz OMFIQRIYEYMROA-OAHLLOKOSA-N 1 3 258.369 1.950 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001754535699 1185663003 /nfs/dbraw/zinc/66/30/03/1185663003.db2.gz NXGADJINZAKUKI-UHFFFAOYSA-N 1 3 299.418 1.624 20 30 CDEDHO CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001755528794 1185979780 /nfs/dbraw/zinc/97/97/80/1185979780.db2.gz YIYKZUVVCQBEHK-HNNXBMFYSA-N 1 3 277.412 1.027 20 30 CDEDHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001755528794 1185979784 /nfs/dbraw/zinc/97/97/84/1185979784.db2.gz YIYKZUVVCQBEHK-HNNXBMFYSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997949913 723408869 /nfs/dbraw/zinc/40/88/69/723408869.db2.gz QBNWALMVJODIRQ-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCN2C)CC1 ZINC000997949913 723408872 /nfs/dbraw/zinc/40/88/72/723408872.db2.gz QBNWALMVJODIRQ-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879635 723419310 /nfs/dbraw/zinc/41/93/10/723419310.db2.gz VSDGVCRESGNHIF-HOTGVXAUSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879635 723419313 /nfs/dbraw/zinc/41/93/13/723419313.db2.gz VSDGVCRESGNHIF-HOTGVXAUSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845913 723245986 /nfs/dbraw/zinc/24/59/86/723245986.db2.gz TUQOVLQYDCRRBJ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845913 723245990 /nfs/dbraw/zinc/24/59/90/723245990.db2.gz TUQOVLQYDCRRBJ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845913 723245996 /nfs/dbraw/zinc/24/59/96/723245996.db2.gz TUQOVLQYDCRRBJ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845913 723246002 /nfs/dbraw/zinc/24/60/02/723246002.db2.gz TUQOVLQYDCRRBJ-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCC#N ZINC000170915076 723335645 /nfs/dbraw/zinc/33/56/45/723335645.db2.gz HPBBDSPVFAJQHT-GFCCVEGCSA-N 1 3 251.378 1.069 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510592 723446884 /nfs/dbraw/zinc/44/68/84/723446884.db2.gz RYLIKMQUDHDUAR-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009510592 723446889 /nfs/dbraw/zinc/44/68/89/723446889.db2.gz RYLIKMQUDHDUAR-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCCn1cc(CNC[C@H]2CC[C@H](C[NH3+])CC2)nn1 ZINC001574920502 1167644049 /nfs/dbraw/zinc/64/40/49/1167644049.db2.gz ABRDHHPRRTYEDA-HDJSIYSDSA-N 1 3 277.416 1.709 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682057 1168385645 /nfs/dbraw/zinc/38/56/45/1168385645.db2.gz NLTFTQRHRYLRQS-OAHLLOKOSA-N 1 3 277.412 1.076 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175317199 913539451 /nfs/dbraw/zinc/53/94/51/913539451.db2.gz MTYQXUUSXYSRNV-KGLIPLIRSA-N 1 3 267.417 1.224 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760080 914260845 /nfs/dbraw/zinc/26/08/45/914260845.db2.gz PQDLNXVQBXCYCN-HZPDHXFCSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797073 914314032 /nfs/dbraw/zinc/31/40/32/914314032.db2.gz HLGDYGCWCPDZAY-HZPDHXFCSA-N 1 3 291.439 1.036 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939606 899688175 /nfs/dbraw/zinc/68/81/75/899688175.db2.gz YTXCKVLLKCCBOX-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986513 914415009 /nfs/dbraw/zinc/41/50/09/914415009.db2.gz QCOUXJHTJFSLBE-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028093930 901319048 /nfs/dbraw/zinc/31/90/48/901319048.db2.gz RSEIPUYUFGKWLG-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028093930 901319057 /nfs/dbraw/zinc/31/90/57/901319057.db2.gz RSEIPUYUFGKWLG-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537500 902590644 /nfs/dbraw/zinc/59/06/44/902590644.db2.gz MLQYIFOWRCDHLC-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537500 902590648 /nfs/dbraw/zinc/59/06/48/902590648.db2.gz MLQYIFOWRCDHLC-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106910936 915670124 /nfs/dbraw/zinc/67/01/24/915670124.db2.gz WFDSDGGHERGPIP-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586933 915887621 /nfs/dbraw/zinc/88/76/21/915887621.db2.gz VRETZTKFJINMGO-MRXNPFEDSA-N 1 3 293.455 1.618 20 30 CDEDHO C=CCOCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179987449 916104053 /nfs/dbraw/zinc/10/40/53/916104053.db2.gz XDUBUFPVIZNOGV-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185218278 919481797 /nfs/dbraw/zinc/48/17/97/919481797.db2.gz ZSICFQBEIZIRLO-ZIAGYGMSSA-N 1 3 288.395 1.050 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185357701 919543398 /nfs/dbraw/zinc/54/33/98/919543398.db2.gz DSOZMXFVTNMPMR-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034042902 922462922 /nfs/dbraw/zinc/46/29/22/922462922.db2.gz RSNBYRKECNFUND-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034042902 922462931 /nfs/dbraw/zinc/46/29/31/922462931.db2.gz RSNBYRKECNFUND-CABCVRRESA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192387152 923049085 /nfs/dbraw/zinc/04/90/85/923049085.db2.gz VHVITTSYXBJFII-CQSZACIVSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192387152 923049107 /nfs/dbraw/zinc/04/91/07/923049107.db2.gz VHVITTSYXBJFII-CQSZACIVSA-N 1 3 281.444 1.683 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243706 925376270 /nfs/dbraw/zinc/37/62/70/925376270.db2.gz NDJDIWSNULPCTF-UHFFFAOYSA-N 1 3 293.455 1.973 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550361 937146499 /nfs/dbraw/zinc/14/64/99/937146499.db2.gz MARIXRHHYGBRLJ-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550361 937146500 /nfs/dbraw/zinc/14/65/00/937146500.db2.gz MARIXRHHYGBRLJ-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979919 930581490 /nfs/dbraw/zinc/58/14/90/930581490.db2.gz KGSCKSWCUJNAEJ-CABCVRRESA-N 1 3 299.459 1.404 20 30 CDEDHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043160 931141378 /nfs/dbraw/zinc/14/13/78/931141378.db2.gz MLVTXAFWKPNNAB-MRXNPFEDSA-N 1 3 292.427 1.166 20 30 CDEDHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274043160 931141382 /nfs/dbraw/zinc/14/13/82/931141382.db2.gz MLVTXAFWKPNNAB-MRXNPFEDSA-N 1 3 292.427 1.166 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154784195 937585746 /nfs/dbraw/zinc/58/57/46/937585746.db2.gz AGPMBJJBEQCIMG-HZPDHXFCSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154784195 937585747 /nfs/dbraw/zinc/58/57/47/937585747.db2.gz AGPMBJJBEQCIMG-HZPDHXFCSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018966876 935690531 /nfs/dbraw/zinc/69/05/31/935690531.db2.gz VXWZQALGCSCOFV-LSDHHAIUSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018966876 935690537 /nfs/dbraw/zinc/69/05/37/935690537.db2.gz VXWZQALGCSCOFV-LSDHHAIUSA-N 1 3 277.412 1.073 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044749730 935869465 /nfs/dbraw/zinc/86/94/65/935869465.db2.gz LFDKKUMFBBNTKR-NWDGAFQWSA-N 1 3 262.357 1.107 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096348232 936047876 /nfs/dbraw/zinc/04/78/76/936047876.db2.gz GONYVDVRUYOKGK-FZKCQIBNSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096348232 936047878 /nfs/dbraw/zinc/04/78/78/936047878.db2.gz GONYVDVRUYOKGK-FZKCQIBNSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049067310 936107088 /nfs/dbraw/zinc/10/70/88/936107088.db2.gz VKZNAKYFLNHQCV-ZNMIVQPWSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049067310 936107090 /nfs/dbraw/zinc/10/70/90/936107090.db2.gz VKZNAKYFLNHQCV-ZNMIVQPWSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001122020218 937899798 /nfs/dbraw/zinc/89/97/98/937899798.db2.gz FFZLTSOQQCFISN-HUUCEWRRSA-N 1 3 279.428 1.518 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158923106 938678482 /nfs/dbraw/zinc/67/84/82/938678482.db2.gz NJXGMFOTPFPVLU-MRXNPFEDSA-N 1 3 293.455 1.663 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158923106 938678483 /nfs/dbraw/zinc/67/84/83/938678483.db2.gz NJXGMFOTPFPVLU-MRXNPFEDSA-N 1 3 293.455 1.663 20 30 CDEDHO N#Cc1ccc(Cl)nc1C(F)(F)N[C@@H](N)CCC[NH3+] ZINC001159783085 938752544 /nfs/dbraw/zinc/75/25/44/938752544.db2.gz BDAUXYFQLKLYAU-SECBINFHSA-N 1 3 289.717 1.269 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627067 939620742 /nfs/dbraw/zinc/62/07/42/939620742.db2.gz PAPZTTMCEBMSKJ-ZDUSSCGKSA-N 1 3 253.390 1.143 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203519998 939690946 /nfs/dbraw/zinc/69/09/46/939690946.db2.gz CJEUBHFYADEVNX-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681082 940902481 /nfs/dbraw/zinc/90/24/81/940902481.db2.gz RJWSOPHXIZGLHP-VNHYZAJKSA-N 1 3 290.411 1.743 20 30 CDEDHO N#Cc1ccc(NC(=O)NCCC[NH2+]CCCN)cc1 ZINC001239253169 945365522 /nfs/dbraw/zinc/36/55/22/945365522.db2.gz QHAWDLWDMSDFNQ-UHFFFAOYSA-N 1 3 275.356 1.008 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218871714 941281954 /nfs/dbraw/zinc/28/19/54/941281954.db2.gz QHVHJWUECLMGJY-NHYWBVRUSA-N 1 3 286.379 1.579 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001218871169 941282453 /nfs/dbraw/zinc/28/24/53/941282453.db2.gz HYZVSXWHIIBYLW-RISCZKNCSA-N 1 3 284.363 1.061 20 30 CDEDHO N#Cc1ccc(CCN2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085651 941561720 /nfs/dbraw/zinc/56/17/20/941561720.db2.gz GTAFDGUROWVZAZ-UHFFFAOYSA-N 1 3 284.407 1.128 20 30 CDEDHO C[N@@H+]1CCC[C@@H](NC(=N)c2ccc(Cl)cn2)CC1 ZINC001254502841 947462005 /nfs/dbraw/zinc/46/20/05/947462005.db2.gz IGQJWJRDZYCLQA-LLVKDONJSA-N 1 3 266.776 1.925 20 30 CDEDHO C[N@H+]1CCC[C@@H](NC(=N)c2ccc(Cl)cn2)CC1 ZINC001254502841 947462008 /nfs/dbraw/zinc/46/20/08/947462008.db2.gz IGQJWJRDZYCLQA-LLVKDONJSA-N 1 3 266.776 1.925 20 30 CDEDHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@@H]1CC[C@H](C#N)C1 ZINC001254646627 947567773 /nfs/dbraw/zinc/56/77/73/947567773.db2.gz NQFTUOHPZIAONO-YNEHKIRRSA-N 1 3 296.415 1.858 20 30 CDEDHO C[C@@H]1CC[C@H](N2CCC3SC(=O)C=C3C2)C[NH2+]1 ZINC001246695843 948406573 /nfs/dbraw/zinc/40/65/73/948406573.db2.gz QSKVWCOZOXXTFJ-ADEWGFFLSA-N 1 3 252.383 1.401 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669842 963063359 /nfs/dbraw/zinc/06/33/59/963063359.db2.gz AOUGHCPQHXCZPJ-HOTGVXAUSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001340669842 963063372 /nfs/dbraw/zinc/06/33/72/963063372.db2.gz AOUGHCPQHXCZPJ-HOTGVXAUSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001340937513 963201129 /nfs/dbraw/zinc/20/11/29/963201129.db2.gz ZHALGRUZITWRHU-ZDUSSCGKSA-N 1 3 265.401 1.272 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001341632496 963490893 /nfs/dbraw/zinc/49/08/93/963490893.db2.gz VWMYFQQZZFXYTQ-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC001341632496 963490898 /nfs/dbraw/zinc/49/08/98/963490898.db2.gz VWMYFQQZZFXYTQ-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1C ZINC001343303362 963947279 /nfs/dbraw/zinc/94/72/79/963947279.db2.gz WGMIQNKOLOQZOD-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC001343505672 964012694 /nfs/dbraw/zinc/01/26/94/964012694.db2.gz AWWLJHHQZMYTGX-MGPQQGTHSA-N 1 3 267.417 1.551 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001343879649 964167201 /nfs/dbraw/zinc/16/72/01/964167201.db2.gz DTRXGOYMKPOYGK-AWEZNQCLSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001357661274 969638317 /nfs/dbraw/zinc/63/83/17/969638317.db2.gz VQIWTASNWYTOIP-UONOGXRCSA-N 1 3 279.428 1.661 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001399246223 976396052 /nfs/dbraw/zinc/39/60/52/976396052.db2.gz INECLZLWAIILMJ-CHWSQXEVSA-N 1 3 285.819 1.271 20 30 CDEDHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000442774973 362089577 /nfs/dbraw/zinc/08/95/77/362089577.db2.gz FQBYOFUJBDXUQD-GOEBONIOSA-N 1 3 290.455 1.827 20 30 CDEDHO N#C[C@H]1CC[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601966173 344298190 /nfs/dbraw/zinc/29/81/90/344298190.db2.gz QEVGKGKMMOFZPO-RCCFBDPRSA-N 1 3 299.418 1.905 20 30 CDEDHO N#C[C@H]1CC[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601966173 344298192 /nfs/dbraw/zinc/29/81/92/344298192.db2.gz QEVGKGKMMOFZPO-RCCFBDPRSA-N 1 3 299.418 1.905 20 30 CDEDHO C=CCC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353158741 346062146 /nfs/dbraw/zinc/06/21/46/346062146.db2.gz ZTZBMGXLVQYKHM-IZGVIRRGSA-N 1 3 252.402 1.871 20 30 CDEDHO C=CCC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353158741 346062147 /nfs/dbraw/zinc/06/21/47/346062147.db2.gz ZTZBMGXLVQYKHM-IZGVIRRGSA-N 1 3 252.402 1.871 20 30 CDEDHO COCC[C@@H]([NH3+])CNC(C)(C)Cc1ccc(C#N)cc1 ZINC001579003187 1172075033 /nfs/dbraw/zinc/07/50/33/1172075033.db2.gz ZLPOJUVEBJIBPG-OAHLLOKOSA-N 1 3 275.396 1.833 20 30 CDEDHO CC#CC[C@H](CO)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000641769001 365835362 /nfs/dbraw/zinc/83/53/62/365835362.db2.gz NQYLSXZTTGULCW-MRXNPFEDSA-N 1 3 290.407 1.491 20 30 CDEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000057153764 348831794 /nfs/dbraw/zinc/83/17/94/348831794.db2.gz OQDQVFKKUXRDCF-UHFFFAOYSA-N 1 3 289.423 1.075 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1C ZINC000264079229 362960000 /nfs/dbraw/zinc/96/00/00/362960000.db2.gz ICJPJLLTRBQPQP-MRXNPFEDSA-N 1 3 288.439 1.926 20 30 CDEDHO CN(Cc1cc(C#N)n(C)c1)CC1CC[NH+](C)CC1 ZINC000191323400 358126390 /nfs/dbraw/zinc/12/63/90/358126390.db2.gz WRDKIANBNSWRIF-UHFFFAOYSA-N 1 3 260.385 1.670 20 30 CDEDHO Cn1cc(C[N@H+](C)CC2CCN(C)CC2)cc1C#N ZINC000191323400 358126394 /nfs/dbraw/zinc/12/63/94/358126394.db2.gz WRDKIANBNSWRIF-UHFFFAOYSA-N 1 3 260.385 1.670 20 30 CDEDHO Cn1cc(C[N@@H+](C)CC2CCN(C)CC2)cc1C#N ZINC000191323400 358126399 /nfs/dbraw/zinc/12/63/99/358126399.db2.gz WRDKIANBNSWRIF-UHFFFAOYSA-N 1 3 260.385 1.670 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000165196027 363625656 /nfs/dbraw/zinc/62/56/56/363625656.db2.gz XIFYKZXVABRZTG-CVEARBPZSA-N 1 3 293.455 1.801 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC(C[NH2+]C)CC1 ZINC000063166030 360072241 /nfs/dbraw/zinc/07/22/41/360072241.db2.gz UVYUIIUEQQOIGD-UHFFFAOYSA-N 1 3 265.401 1.118 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865441 379658766 /nfs/dbraw/zinc/65/87/66/379658766.db2.gz OFEAYGPXRJVXKE-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000104157425 390486256 /nfs/dbraw/zinc/48/62/56/390486256.db2.gz XWIIDXUIMASEHC-AWEZNQCLSA-N 1 3 292.427 1.448 20 30 CDEDHO CN(CCN(C)C1CC[NH+](C)CC1)CCC(C)(C)C#N ZINC000119723100 390641038 /nfs/dbraw/zinc/64/10/38/390641038.db2.gz XWDCPESWYHGNGR-UHFFFAOYSA-N 1 3 280.460 1.884 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2)CC1 ZINC000373171769 391108546 /nfs/dbraw/zinc/10/85/46/391108546.db2.gz BVQPVNJLQKFMSK-PMPSAXMXSA-N 1 3 290.455 1.827 20 30 CDEDHO C=CCN1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000345286050 391116686 /nfs/dbraw/zinc/11/66/86/391116686.db2.gz VEFBJGVGGJELCD-UHFFFAOYSA-N 1 3 265.401 1.095 20 30 CDEDHO CC(C#N)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000346108811 391334032 /nfs/dbraw/zinc/33/40/32/391334032.db2.gz MHFYKPBCHNCUJZ-LBPRGKRZSA-N 1 3 259.353 1.567 20 30 CDEDHO CCN1CCC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000359695000 158339352 /nfs/dbraw/zinc/33/93/52/158339352.db2.gz KRODUVSRIBFLGL-CYBMUJFWSA-N 1 3 260.385 1.718 20 30 CDEDHO CC(C#N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000347253815 226100915 /nfs/dbraw/zinc/10/09/15/226100915.db2.gz BQLKYADIOZBNPK-ZDUSSCGKSA-N 1 3 279.384 1.249 20 30 CDEDHO COc1ccc(NC(=[NH2+])NCCCN(C)C)cc1OC ZINC000264088790 262867958 /nfs/dbraw/zinc/86/79/58/262867958.db2.gz KLJIORLDOZNKGZ-UHFFFAOYSA-N 1 3 280.372 1.382 20 30 CDEDHO C=CCc1cc(CNC[C@H](C)C[NH3+])cc(OC)c1O ZINC000414885745 263099387 /nfs/dbraw/zinc/09/93/87/263099387.db2.gz XJKGYEAJEVYKHV-LLVKDONJSA-N 1 3 264.369 1.814 20 30 CDEDHO C#CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368826648 267207367 /nfs/dbraw/zinc/20/73/67/267207367.db2.gz WRCWPUYUIIZMQC-UHFFFAOYSA-N 1 3 263.429 1.359 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377898025 329034045 /nfs/dbraw/zinc/03/40/45/329034045.db2.gz DOXAWEMNGVAIRL-UHFFFAOYSA-N 1 3 291.439 1.772 20 30 CDEDHO CNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000172838244 329139172 /nfs/dbraw/zinc/13/91/72/329139172.db2.gz MRZKVRAHCQLEDS-PWSUYJOCSA-N 1 3 266.414 1.665 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1 ZINC000262163658 330001094 /nfs/dbraw/zinc/00/10/94/330001094.db2.gz BLMLVDMINVTLIV-OLZOCXBDSA-N 1 3 284.473 1.661 20 30 CDEDHO C[C@H]1CCCN(C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262642007 330024089 /nfs/dbraw/zinc/02/40/89/330024089.db2.gz HZUMTZGPILDBKU-LBPRGKRZSA-N 1 3 252.406 1.388 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422863542 330158076 /nfs/dbraw/zinc/15/80/76/330158076.db2.gz RXPMSRJOATXXIL-DZGCQCFKSA-N 1 3 251.418 1.744 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423372451 330195402 /nfs/dbraw/zinc/19/54/02/330195402.db2.gz GJMDIMSWAIVEOB-AWEZNQCLSA-N 1 3 279.428 1.531 20 30 CDEDHO CC(C)C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[NH+](C)C ZINC000424137061 330273411 /nfs/dbraw/zinc/27/34/11/330273411.db2.gz RNVVZXICGGDLPD-STQMWFEESA-N 1 3 268.405 1.100 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836039 1160626834 /nfs/dbraw/zinc/62/68/34/1160626834.db2.gz KCUAWLSSIJASCB-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001752836039 1160626837 /nfs/dbraw/zinc/62/68/37/1160626837.db2.gz KCUAWLSSIJASCB-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840136 1184929321 /nfs/dbraw/zinc/92/93/21/1184929321.db2.gz HACKNYLGOOMDQI-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001753138976 1185081910 /nfs/dbraw/zinc/08/19/10/1185081910.db2.gz QPSINBZQQFZGFO-HNNXBMFYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001753138976 1185081915 /nfs/dbraw/zinc/08/19/15/1185081915.db2.gz QPSINBZQQFZGFO-HNNXBMFYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499274 1162196557 /nfs/dbraw/zinc/19/65/57/1162196557.db2.gz QXGWJIOLHLHRDW-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001113499274 1162196560 /nfs/dbraw/zinc/19/65/60/1162196560.db2.gz QXGWJIOLHLHRDW-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO CC(C)(C)[NH2+]CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000352578719 526329319 /nfs/dbraw/zinc/32/93/19/526329319.db2.gz ZLBWSSDXORAIBL-OAHLLOKOSA-N 1 3 298.390 1.745 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC000747404411 576868760 /nfs/dbraw/zinc/86/87/60/576868760.db2.gz JTDQVNATWDFWAU-MRXNPFEDSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192795 613022478 /nfs/dbraw/zinc/02/24/78/613022478.db2.gz SOKHUOPIQHIFDV-HOCLYGCPSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC=C)C2)CC1 ZINC000980479969 613129298 /nfs/dbraw/zinc/12/92/98/613129298.db2.gz ZPYIMNJFXSIQKF-MRXNPFEDSA-N 1 3 289.423 1.050 20 30 CDEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC=C)C2)CC1 ZINC000980479969 613129299 /nfs/dbraw/zinc/12/92/99/613129299.db2.gz ZPYIMNJFXSIQKF-MRXNPFEDSA-N 1 3 289.423 1.050 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC)CC2(C)C)CC1 ZINC000977660329 613130850 /nfs/dbraw/zinc/13/08/50/613130850.db2.gz YSZPPQBTDITYAP-OAHLLOKOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC)CC2(C)C)CC1 ZINC000977660329 613130851 /nfs/dbraw/zinc/13/08/51/613130851.db2.gz YSZPPQBTDITYAP-OAHLLOKOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972258622 613289298 /nfs/dbraw/zinc/28/92/98/613289298.db2.gz QQQPFXAAXDHWOF-LSDHHAIUSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972258622 613289299 /nfs/dbraw/zinc/28/92/99/613289299.db2.gz QQQPFXAAXDHWOF-LSDHHAIUSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971679780 613289334 /nfs/dbraw/zinc/28/93/34/613289334.db2.gz UYZFVHBTVXLCTN-LSDHHAIUSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971679780 613289335 /nfs/dbraw/zinc/28/93/35/613289335.db2.gz UYZFVHBTVXLCTN-LSDHHAIUSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610885 613627671 /nfs/dbraw/zinc/62/76/71/613627671.db2.gz WALCGHBJIWTHMZ-HNNXBMFYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610885 613627674 /nfs/dbraw/zinc/62/76/74/613627674.db2.gz WALCGHBJIWTHMZ-HNNXBMFYSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942556369 613740239 /nfs/dbraw/zinc/74/02/39/613740239.db2.gz ZWOQBOKVSYTZJX-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942556369 613740240 /nfs/dbraw/zinc/74/02/40/613740240.db2.gz ZWOQBOKVSYTZJX-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942556370 613740288 /nfs/dbraw/zinc/74/02/88/613740288.db2.gz ZWOQBOKVSYTZJX-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](C)C1 ZINC000942556370 613740289 /nfs/dbraw/zinc/74/02/89/613740289.db2.gz ZWOQBOKVSYTZJX-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465044 613837191 /nfs/dbraw/zinc/83/71/91/613837191.db2.gz PEWOGJUMJGWHMW-WDNDVIMCSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[NH2+]C(CC)CC)CC1 ZINC000892858775 617839211 /nfs/dbraw/zinc/83/92/11/617839211.db2.gz XVLVHRQMZAGDSW-UHFFFAOYSA-N 1 3 296.459 1.714 20 30 CDEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000924967044 618483347 /nfs/dbraw/zinc/48/33/47/618483347.db2.gz WAJITRRFYWPBDK-KBPBESRZSA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000924967044 618483352 /nfs/dbraw/zinc/48/33/52/618483352.db2.gz WAJITRRFYWPBDK-KBPBESRZSA-N 1 3 294.443 1.492 20 30 CDEDHO CN(C)CC#CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000905152023 626662417 /nfs/dbraw/zinc/66/24/17/626662417.db2.gz SIAULCXWEPZYSW-UHFFFAOYSA-N 1 3 288.395 1.435 20 30 CDEDHO C=CCNC(NC[C@@H]1CN2CCC[C@@H]2CO1)=[NH+]C(C)(C)C ZINC000912496758 630030383 /nfs/dbraw/zinc/03/03/83/630030383.db2.gz FKHHKGCKUPAKBK-ZIAGYGMSSA-N 1 3 294.443 1.369 20 30 CDEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525592 695193111 /nfs/dbraw/zinc/19/31/11/695193111.db2.gz QBWFNHQMGSFPNY-ZBFHGGJFSA-N 1 3 291.439 1.178 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261854794 695311785 /nfs/dbraw/zinc/31/17/85/695311785.db2.gz YLYMMGYXFVGGAY-NPCAHTBFSA-N 1 3 278.444 1.955 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050668087 695326807 /nfs/dbraw/zinc/32/68/07/695326807.db2.gz IXAQLKGIMCFVEL-AWEZNQCLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001020144151 695382601 /nfs/dbraw/zinc/38/26/01/695382601.db2.gz RVVMGJOXKIUTGG-KKUMJFAQSA-N 1 3 279.428 1.672 20 30 CDEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847342 695392407 /nfs/dbraw/zinc/39/24/07/695392407.db2.gz VNYOTCRQAKWZOQ-GJZGRUSLSA-N 1 3 289.423 1.334 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795805 695431615 /nfs/dbraw/zinc/43/16/15/695431615.db2.gz NPQBMYOHOLVGCC-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992422149 695639859 /nfs/dbraw/zinc/63/98/59/695639859.db2.gz ZODBHHJLTBHXPP-BFYDXBDKSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992422149 695639860 /nfs/dbraw/zinc/63/98/60/695639860.db2.gz ZODBHHJLTBHXPP-BFYDXBDKSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038872010 695691824 /nfs/dbraw/zinc/69/18/24/695691824.db2.gz KJEPIVVWUGUUKM-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996678975 695893143 /nfs/dbraw/zinc/89/31/43/695893143.db2.gz PGUOGFAMGDKHIB-AWEZNQCLSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996242999 695964572 /nfs/dbraw/zinc/96/45/72/695964572.db2.gz BLZDKAFUDXZHNR-UONOGXRCSA-N 1 3 281.444 1.585 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046328430 695985105 /nfs/dbraw/zinc/98/51/05/695985105.db2.gz DSTYBCLJNBZGLO-IIAWOOMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046328430 695985110 /nfs/dbraw/zinc/98/51/10/695985110.db2.gz DSTYBCLJNBZGLO-IIAWOOMASA-N 1 3 279.428 1.483 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000303874341 696004444 /nfs/dbraw/zinc/00/44/44/696004444.db2.gz DAGIYPVISJDUQU-QWHCGFSZSA-N 1 3 254.422 1.811 20 30 CDEDHO C#CCCN1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989734831 696066118 /nfs/dbraw/zinc/06/61/18/696066118.db2.gz GHJRXPNGMGHFEF-UHFFFAOYSA-N 1 3 291.439 1.420 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCCC[C@H]1C ZINC000262018646 696163873 /nfs/dbraw/zinc/16/38/73/696163873.db2.gz XATLOTFZANIRDO-NEPJUHHUSA-N 1 3 254.422 1.952 20 30 CDEDHO CNC[C@@H](O)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001578653405 1171971485 /nfs/dbraw/zinc/97/14/85/1171971485.db2.gz XIPBOLBRAHRJRG-CYBMUJFWSA-N 1 3 253.390 1.363 20 30 CDEDHO CNC[C@@H](O)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001578653405 1171971490 /nfs/dbraw/zinc/97/14/90/1171971490.db2.gz XIPBOLBRAHRJRG-CYBMUJFWSA-N 1 3 253.390 1.363 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840136 1184929316 /nfs/dbraw/zinc/92/93/16/1184929316.db2.gz HACKNYLGOOMDQI-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001752880537 1184947652 /nfs/dbraw/zinc/94/76/52/1184947652.db2.gz UZVBJFBMGQJCDM-LBPRGKRZSA-N 1 3 253.390 1.141 20 30 CDEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001754662095 1185694007 /nfs/dbraw/zinc/69/40/07/1185694007.db2.gz QUVZINDMJJXJKU-KRWDZBQOSA-N 1 3 291.439 1.276 20 30 CDEDHO C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794616 1185733777 /nfs/dbraw/zinc/73/37/77/1185733777.db2.gz DWPJVKBMMBOIJM-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)N(C)C ZINC001755567589 1185993265 /nfs/dbraw/zinc/99/32/65/1185993265.db2.gz RNSAAEFRBMSCOU-LSDHHAIUSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001755758421 1186059874 /nfs/dbraw/zinc/05/98/74/1186059874.db2.gz ZCFYMIJVIAZYBQ-CQSZACIVSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001034642221 723844295 /nfs/dbraw/zinc/84/42/95/723844295.db2.gz CHBMTEMIRHFZEU-JYJNAYRXSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007802461 723962435 /nfs/dbraw/zinc/96/24/35/723962435.db2.gz YCNFRVGAHZNBHT-AWEZNQCLSA-N 1 3 284.363 1.715 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044748529 723987314 /nfs/dbraw/zinc/98/73/14/723987314.db2.gz FBAZJQAKNQKAFN-STQMWFEESA-N 1 3 276.384 1.497 20 30 CDEDHO C#CCCN1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032206565 724292590 /nfs/dbraw/zinc/29/25/90/724292590.db2.gz DKWRYUZYPSCYQU-UHFFFAOYSA-N 1 3 299.418 1.433 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033127557 724355125 /nfs/dbraw/zinc/35/51/25/724355125.db2.gz VUMKJSYITYLGHV-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001033127557 724355133 /nfs/dbraw/zinc/35/51/33/724355133.db2.gz VUMKJSYITYLGHV-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046318270 724456066 /nfs/dbraw/zinc/45/60/66/724456066.db2.gz WRWRLTZAAOIORC-NVXWUHKLSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046318270 724456069 /nfs/dbraw/zinc/45/60/69/724456069.db2.gz WRWRLTZAAOIORC-NVXWUHKLSA-N 1 3 291.439 1.463 20 30 CDEDHO CN(C[C@@H](O)CC1(C#N)CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000886018496 725417965 /nfs/dbraw/zinc/41/79/65/725417965.db2.gz BDCNDPIKZFJJLJ-GJZGRUSLSA-N 1 3 279.428 1.705 20 30 CDEDHO CN(C[C@@H](O)CC1(C#N)CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000886018496 725417966 /nfs/dbraw/zinc/41/79/66/725417966.db2.gz BDCNDPIKZFJJLJ-GJZGRUSLSA-N 1 3 279.428 1.705 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139787 724502254 /nfs/dbraw/zinc/50/22/54/724502254.db2.gz SRNTXFWEVZDQMZ-SUJAAXHWSA-N 1 3 291.439 1.339 20 30 CDEDHO C#C[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000818026166 724561874 /nfs/dbraw/zinc/56/18/74/724561874.db2.gz GADXKMCISJZAFF-CQSZACIVSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001019384226 724692510 /nfs/dbraw/zinc/69/25/10/724692510.db2.gz XOCAQHXHDOQDSC-BBRMVZONSA-N 1 3 295.402 1.023 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020835 724752910 /nfs/dbraw/zinc/75/29/10/724752910.db2.gz NJQOUBCWLBGXRS-CQSZACIVSA-N 1 3 286.383 1.052 20 30 CDEDHO C[C@H](CNC(=[NH2+])N(C)C1CC1)N1CCC[C@H](C)C1 ZINC000305807910 724772615 /nfs/dbraw/zinc/77/26/15/724772615.db2.gz HJSIEGRVWZAYIO-NWDGAFQWSA-N 1 3 252.406 1.516 20 30 CDEDHO CC#CCN1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028002567 723765206 /nfs/dbraw/zinc/76/52/06/723765206.db2.gz CWGHOALVDXUMNR-OAHLLOKOSA-N 1 3 296.374 1.552 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956686 723841346 /nfs/dbraw/zinc/84/13/46/723841346.db2.gz STZAWCOKTNRGFH-KGLIPLIRSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395752 725101426 /nfs/dbraw/zinc/10/14/26/725101426.db2.gz ZFXWIXCZZMSBBH-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395752 725101427 /nfs/dbraw/zinc/10/14/27/725101427.db2.gz ZFXWIXCZZMSBBH-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015609220 725133098 /nfs/dbraw/zinc/13/30/98/725133098.db2.gz ZKBCYRVZBSGNOF-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015609220 725133101 /nfs/dbraw/zinc/13/31/01/725133101.db2.gz ZKBCYRVZBSGNOF-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925892903 725169221 /nfs/dbraw/zinc/16/92/21/725169221.db2.gz HQODNIFBBMKWQW-QWHCGFSZSA-N 1 3 259.357 1.082 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001018849109 725213968 /nfs/dbraw/zinc/21/39/68/725213968.db2.gz ONUNOCFGJNIDGA-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001018849109 725213970 /nfs/dbraw/zinc/21/39/70/725213970.db2.gz ONUNOCFGJNIDGA-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027434267 725302628 /nfs/dbraw/zinc/30/26/28/725302628.db2.gz NKCQODBZOOACOA-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027434267 725302629 /nfs/dbraw/zinc/30/26/29/725302629.db2.gz NKCQODBZOOACOA-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001040115522 725335307 /nfs/dbraw/zinc/33/53/07/725335307.db2.gz PVWHWIPCVASDEJ-NVXWUHKLSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001040115522 725335308 /nfs/dbraw/zinc/33/53/08/725335308.db2.gz PVWHWIPCVASDEJ-NVXWUHKLSA-N 1 3 291.439 1.581 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCCOC ZINC000303986403 725413898 /nfs/dbraw/zinc/41/38/98/725413898.db2.gz UKXSFAMFABCOTH-ZDUSSCGKSA-N 1 3 270.421 1.192 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038270053 725668400 /nfs/dbraw/zinc/66/84/00/725668400.db2.gz VPVQJSBEXXVNPX-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038270053 725668409 /nfs/dbraw/zinc/66/84/09/725668409.db2.gz VPVQJSBEXXVNPX-HRCADAONSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041680721 725693393 /nfs/dbraw/zinc/69/33/93/725693393.db2.gz VBMPMWXTGAATKI-RDJZCZTQSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCN1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041680721 725693400 /nfs/dbraw/zinc/69/34/00/725693400.db2.gz VBMPMWXTGAATKI-RDJZCZTQSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027883904 725968074 /nfs/dbraw/zinc/96/80/74/725968074.db2.gz DSYXBRFEGDREOP-JKSUJKDBSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041678191 726002802 /nfs/dbraw/zinc/00/28/02/726002802.db2.gz HCLZMBPNVLWILU-WBVHZDCISA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041678191 726002804 /nfs/dbraw/zinc/00/28/04/726002804.db2.gz HCLZMBPNVLWILU-WBVHZDCISA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100677177 1167503368 /nfs/dbraw/zinc/50/33/68/1167503368.db2.gz ZSPYWIBKPPTDEI-NFOMZHRRSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284204 895665781 /nfs/dbraw/zinc/66/57/81/895665781.db2.gz JRZFTDRCGYRIAJ-OAHLLOKOSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001088330896 906917615 /nfs/dbraw/zinc/91/76/15/906917615.db2.gz KUAHBOTYUGDBQT-HOTGVXAUSA-N 1 3 293.455 1.567 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178360960 915393309 /nfs/dbraw/zinc/39/33/09/915393309.db2.gz UAWSRTUTDUQLBV-SOUVJXGZSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578196 919195226 /nfs/dbraw/zinc/19/52/26/919195226.db2.gz SGHQJDJJXTYNLJ-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185336732 919555856 /nfs/dbraw/zinc/55/58/56/919555856.db2.gz KHIDCMIYBZDWJZ-CABCVRRESA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715986 919726688 /nfs/dbraw/zinc/72/66/88/919726688.db2.gz MYXPLZQOGUMRLI-ZNMIVQPWSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191997159 922848943 /nfs/dbraw/zinc/84/89/43/922848943.db2.gz FYBVJQDHYNCZNC-ZDUSSCGKSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970159 923390230 /nfs/dbraw/zinc/39/02/30/923390230.db2.gz QAHPDXAIFYZUPV-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970159 923390247 /nfs/dbraw/zinc/39/02/47/923390247.db2.gz QAHPDXAIFYZUPV-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266075 924140651 /nfs/dbraw/zinc/14/06/51/924140651.db2.gz KENABMJITRBQSI-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001194266075 924140655 /nfs/dbraw/zinc/14/06/55/924140655.db2.gz KENABMJITRBQSI-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001082943577 925035812 /nfs/dbraw/zinc/03/58/12/925035812.db2.gz PNWUFJBIRPKSQE-OAGGEKHMSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434172 937141561 /nfs/dbraw/zinc/14/15/61/937141561.db2.gz SGEOAOVBRKGQAG-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434172 937141562 /nfs/dbraw/zinc/14/15/62/937141562.db2.gz SGEOAOVBRKGQAG-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202503033 929134151 /nfs/dbraw/zinc/13/41/51/929134151.db2.gz IQEYBDQOMQQDMT-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153823960 937474421 /nfs/dbraw/zinc/47/44/21/937474421.db2.gz FXDWWLIBISDWFA-TZMCWYRMSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153823960 937474424 /nfs/dbraw/zinc/47/44/24/937474424.db2.gz FXDWWLIBISDWFA-TZMCWYRMSA-N 1 3 267.417 1.339 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248999 932120189 /nfs/dbraw/zinc/12/01/89/932120189.db2.gz ZVKOXUJELGDTFX-GDBMZVCRSA-N 1 3 293.455 1.615 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147812205 932604924 /nfs/dbraw/zinc/60/49/24/932604924.db2.gz SQROXIJMDFGKOL-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO CC#CCN1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147812205 932604929 /nfs/dbraw/zinc/60/49/29/932604929.db2.gz SQROXIJMDFGKOL-UHFFFAOYSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN(C)CCC ZINC001148642866 932757294 /nfs/dbraw/zinc/75/72/94/932757294.db2.gz ONIRSZJRNOSEPW-UHFFFAOYSA-N 1 3 269.433 1.780 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120046238 937776274 /nfs/dbraw/zinc/77/62/74/937776274.db2.gz SFUOQKCOLVGOKI-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC#CCN(C)C ZINC001120491778 937803114 /nfs/dbraw/zinc/80/31/14/937803114.db2.gz CVJPUASXHOPYDG-INIZCTEOSA-N 1 3 290.407 1.198 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794092 934970136 /nfs/dbraw/zinc/97/01/36/934970136.db2.gz BXZGNDLEPSPHJE-CBBWQLFWSA-N 1 3 279.428 1.195 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114794092 934970142 /nfs/dbraw/zinc/97/01/42/934970142.db2.gz BXZGNDLEPSPHJE-CBBWQLFWSA-N 1 3 279.428 1.195 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001121922424 937890715 /nfs/dbraw/zinc/89/07/15/937890715.db2.gz IZQFYQJRRSQNMN-QWHCGFSZSA-N 1 3 269.433 1.763 20 30 CDEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935524 937892369 /nfs/dbraw/zinc/89/23/69/937892369.db2.gz RPDFJIXUBZOADO-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112925 938455709 /nfs/dbraw/zinc/45/57/09/938455709.db2.gz CNDQUFVMONDOQU-OAHLLOKOSA-N 1 3 299.459 1.356 20 30 CDEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112925 938455711 /nfs/dbraw/zinc/45/57/11/938455711.db2.gz CNDQUFVMONDOQU-OAHLLOKOSA-N 1 3 299.459 1.356 20 30 CDEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628523 938742335 /nfs/dbraw/zinc/74/23/35/938742335.db2.gz LAOPPRWRXRKBQQ-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628523 938742338 /nfs/dbraw/zinc/74/23/38/938742338.db2.gz LAOPPRWRXRKBQQ-MRXNPFEDSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160352480 938782374 /nfs/dbraw/zinc/78/23/74/938782374.db2.gz JCSFRUQXHFNIJP-INIZCTEOSA-N 1 3 291.439 1.651 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160352480 938782375 /nfs/dbraw/zinc/78/23/75/938782375.db2.gz JCSFRUQXHFNIJP-INIZCTEOSA-N 1 3 291.439 1.651 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035997 939674488 /nfs/dbraw/zinc/67/44/88/939674488.db2.gz STDZACYIJPJIBZ-OAHLLOKOSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651341 939699895 /nfs/dbraw/zinc/69/98/95/939699895.db2.gz NBCBLCIAQUTHEA-GJZGRUSLSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457905 939891185 /nfs/dbraw/zinc/89/11/85/939891185.db2.gz VUIBWPRLTBQKJH-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210315980 940682696 /nfs/dbraw/zinc/68/26/96/940682696.db2.gz STYCRBRPUXRKAB-GOEBONIOSA-N 1 3 280.412 1.960 20 30 CDEDHO Cc1ncc(C#N)cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218659797 941255228 /nfs/dbraw/zinc/25/52/28/941255228.db2.gz VYCSMYAYQPJPLJ-ZDUSSCGKSA-N 1 3 289.383 1.259 20 30 CDEDHO C#Cc1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1F ZINC001219384107 941338206 /nfs/dbraw/zinc/33/82/06/941338206.db2.gz ITVWTPHOEPOPIL-HNNXBMFYSA-N 1 3 291.370 1.805 20 30 CDEDHO C#Cc1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001220382271 941441577 /nfs/dbraw/zinc/44/15/77/941441577.db2.gz UFXHIMPRAVGYBW-MRXNPFEDSA-N 1 3 297.402 1.158 20 30 CDEDHO C#Cc1ccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001220382271 941441581 /nfs/dbraw/zinc/44/15/81/941441581.db2.gz UFXHIMPRAVGYBW-MRXNPFEDSA-N 1 3 297.402 1.158 20 30 CDEDHO C[NH+]1CC2(C1)CCN(Cc1ccnc(C#N)c1)CC2 ZINC001237468706 944798180 /nfs/dbraw/zinc/79/81/80/944798180.db2.gz KTRNLWTUHVWQLF-UHFFFAOYSA-N 1 3 256.353 1.481 20 30 CDEDHO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254664253 947581617 /nfs/dbraw/zinc/58/16/17/947581617.db2.gz GSKIDTZCDHEWQV-KGLIPLIRSA-N 1 3 281.400 1.495 20 30 CDEDHO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254664253 947581626 /nfs/dbraw/zinc/58/16/26/947581626.db2.gz GSKIDTZCDHEWQV-KGLIPLIRSA-N 1 3 281.400 1.495 20 30 CDEDHO C=C[C@@H](COC)NCc1ccc(OCC[NH+](C)C)cc1 ZINC001255013048 947690981 /nfs/dbraw/zinc/69/09/81/947690981.db2.gz GUOYUOUSLCEDBH-HNNXBMFYSA-N 1 3 278.396 1.918 20 30 CDEDHO C=C[C@@](C)(O)CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252572375 951465077 /nfs/dbraw/zinc/46/50/77/951465077.db2.gz PVBDWIYLYSIYJC-QLFBSQMISA-N 1 3 254.418 1.881 20 30 CDEDHO C=C[C@@](C)(O)CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001252572375 951465081 /nfs/dbraw/zinc/46/50/81/951465081.db2.gz PVBDWIYLYSIYJC-QLFBSQMISA-N 1 3 254.418 1.881 20 30 CDEDHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001495382062 972484819 /nfs/dbraw/zinc/48/48/19/972484819.db2.gz ZMODCQOWJSSKBN-CABCVRRESA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001340788233 963128444 /nfs/dbraw/zinc/12/84/44/963128444.db2.gz YXYPBJQROADNKH-INIZCTEOSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001341601555 963479649 /nfs/dbraw/zinc/47/96/49/963479649.db2.gz WXIZLPDIJGTMNX-CABCVRRESA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001341601555 963479654 /nfs/dbraw/zinc/47/96/54/963479654.db2.gz WXIZLPDIJGTMNX-CABCVRRESA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001341673102 963506319 /nfs/dbraw/zinc/50/63/19/963506319.db2.gz WPKTUAJZLPDSMD-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001341673102 963506326 /nfs/dbraw/zinc/50/63/26/963506326.db2.gz WPKTUAJZLPDSMD-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407686 968265216 /nfs/dbraw/zinc/26/52/16/968265216.db2.gz FKSPBNTVXHNKNJ-ZALBZXLWSA-N 1 3 279.428 1.387 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001398686238 976106264 /nfs/dbraw/zinc/10/62/64/976106264.db2.gz JOIBSKWXYLWXAP-UONOGXRCSA-N 1 3 299.846 1.661 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001380406753 976411203 /nfs/dbraw/zinc/41/12/03/976411203.db2.gz XANKFKRNOAVRRO-HIFRSBDPSA-N 1 3 299.846 1.661 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001675527186 1174124342 /nfs/dbraw/zinc/12/43/42/1174124342.db2.gz KNCVFWXBGWFIEY-APIJFGDWSA-N 1 3 279.428 1.197 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 ZINC001675527186 1174124345 /nfs/dbraw/zinc/12/43/45/1174124345.db2.gz KNCVFWXBGWFIEY-APIJFGDWSA-N 1 3 279.428 1.197 20 30 CDEDHO C[C@H](CCNC(=O)[C@H](N)CCCC#N)[NH+]1CCCCC1 ZINC001575962539 1171305116 /nfs/dbraw/zinc/30/51/16/1171305116.db2.gz SWCQKQMQBZHFQS-ZIAGYGMSSA-N 1 3 280.416 1.388 20 30 CDEDHO C[NH2+]C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000600827804 342251914 /nfs/dbraw/zinc/25/19/14/342251914.db2.gz YOXDCWCZMPNWTK-HNNXBMFYSA-N 1 3 296.374 1.499 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081687340 342371989 /nfs/dbraw/zinc/37/19/89/342371989.db2.gz NWDSERFFVFRZFS-ZBFHGGJFSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081687340 342371990 /nfs/dbraw/zinc/37/19/90/342371990.db2.gz NWDSERFFVFRZFS-ZBFHGGJFSA-N 1 3 291.439 1.627 20 30 CDEDHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612050 343842058 /nfs/dbraw/zinc/84/20/58/343842058.db2.gz YJWUWMYNGDXLPV-KGLIPLIRSA-N 1 3 267.417 1.703 20 30 CDEDHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612050 343842060 /nfs/dbraw/zinc/84/20/60/343842060.db2.gz YJWUWMYNGDXLPV-KGLIPLIRSA-N 1 3 267.417 1.703 20 30 CDEDHO C[C@@H](CCC#N)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000602453024 344436117 /nfs/dbraw/zinc/43/61/17/344436117.db2.gz XYOTVBUGHGYWAR-AWEZNQCLSA-N 1 3 294.443 1.316 20 30 CDEDHO C=CCOCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000348033558 359783177 /nfs/dbraw/zinc/78/31/77/359783177.db2.gz MXEIZDBGYSOAQJ-GJZGRUSLSA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCOCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000348033558 359783181 /nfs/dbraw/zinc/78/31/81/359783181.db2.gz MXEIZDBGYSOAQJ-GJZGRUSLSA-N 1 3 252.402 1.995 20 30 CDEDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271954312 367043071 /nfs/dbraw/zinc/04/30/71/367043071.db2.gz PQZGZGPPLYUEHH-LBPRGKRZSA-N 1 3 291.370 1.805 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247924683 377183872 /nfs/dbraw/zinc/18/38/72/377183872.db2.gz BLYGZXCEBIXAGW-KKUMJFAQSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247924683 377183878 /nfs/dbraw/zinc/18/38/78/377183878.db2.gz BLYGZXCEBIXAGW-KKUMJFAQSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247924683 377183883 /nfs/dbraw/zinc/18/38/83/377183883.db2.gz BLYGZXCEBIXAGW-KKUMJFAQSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247924683 377183888 /nfs/dbraw/zinc/18/38/88/377183888.db2.gz BLYGZXCEBIXAGW-KKUMJFAQSA-N 1 3 252.402 1.730 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417534258 377875421 /nfs/dbraw/zinc/87/54/21/377875421.db2.gz VUYFUDPITAACGX-KBPBESRZSA-N 1 3 294.443 1.324 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417534740 377877659 /nfs/dbraw/zinc/87/76/59/377877659.db2.gz WAPNTGBNWXMEKI-ZFWWWQNUSA-N 1 3 294.443 1.548 20 30 CDEDHO CC(C)[NH+](CCCNC(=O)[C@H](N)CCCC#N)C(C)C ZINC000575057066 335060059 /nfs/dbraw/zinc/06/00/59/335060059.db2.gz ATVKRJYFTYDSEH-CQSZACIVSA-N 1 3 282.432 1.633 20 30 CDEDHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1C#N ZINC000281845314 393158865 /nfs/dbraw/zinc/15/88/65/393158865.db2.gz YTKDHOPVGLDXSL-UHFFFAOYSA-N 1 3 289.379 1.113 20 30 CDEDHO C=C[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654883700 413792120 /nfs/dbraw/zinc/79/21/20/413792120.db2.gz JVUXTRDSOMXBKT-CQSZACIVSA-N 1 3 293.455 1.873 20 30 CDEDHO [NH2+]=C(NCCN1CCCCCC1)N1CCSCC1 ZINC000262010324 329997304 /nfs/dbraw/zinc/99/73/04/329997304.db2.gz TTYKZWPJIVNSHJ-UHFFFAOYSA-N 1 3 270.446 1.226 20 30 CDEDHO [NH2+]=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC1 ZINC000263117381 330044582 /nfs/dbraw/zinc/04/45/82/330044582.db2.gz LPYSQIZFNFNGEA-OAHLLOKOSA-N 1 3 272.396 1.529 20 30 CDEDHO CN(C)CC1(CNC2=[NH+]CCCN2C)CCCC1 ZINC000263133696 330045260 /nfs/dbraw/zinc/04/52/60/330045260.db2.gz NJTYCIRJETXNBQ-UHFFFAOYSA-N 1 3 252.406 1.390 20 30 CDEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423014151 330165377 /nfs/dbraw/zinc/16/53/77/330165377.db2.gz HLQNLDMMVKIAAJ-GBJTYRQASA-N 1 3 252.402 1.681 20 30 CDEDHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424132090 330264392 /nfs/dbraw/zinc/26/43/92/330264392.db2.gz KGQOEKXCLDARSZ-AWEZNQCLSA-N 1 3 280.416 1.340 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000491164669 332159307 /nfs/dbraw/zinc/15/93/07/332159307.db2.gz DIPMZHPGBWSAOO-CABCVRRESA-N 1 3 251.418 1.261 20 30 CDEDHO C#CCNC(=O)CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491802969 332356898 /nfs/dbraw/zinc/35/68/98/332356898.db2.gz HQXJJTSJUZGKRA-KRWDZBQOSA-N 1 3 299.418 1.238 20 30 CDEDHO C#CCNC(=O)CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491802969 332356900 /nfs/dbraw/zinc/35/69/00/332356900.db2.gz HQXJJTSJUZGKRA-KRWDZBQOSA-N 1 3 299.418 1.238 20 30 CDEDHO CC#CCCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545954787 334009078 /nfs/dbraw/zinc/00/90/78/334009078.db2.gz JLXSILZGGAFWBY-UHFFFAOYSA-N 1 3 267.417 1.132 20 30 CDEDHO CC[NH+](CC)CCOC1CCN(C(=O)C(C)C#N)CC1 ZINC000347224179 528141265 /nfs/dbraw/zinc/14/12/65/528141265.db2.gz FRYVJOOZIYPNSS-ZDUSSCGKSA-N 1 3 281.400 1.495 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000764536518 575919711 /nfs/dbraw/zinc/91/97/11/575919711.db2.gz JYQFYKZONKOIFO-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=C(CN(C)C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000764536518 575919712 /nfs/dbraw/zinc/91/97/12/575919712.db2.gz JYQFYKZONKOIFO-UHFFFAOYSA-N 1 3 279.428 1.581 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000963912992 612955465 /nfs/dbraw/zinc/95/54/65/612955465.db2.gz SEUDBYIMUGFDCM-FHERZECASA-N 1 3 291.439 1.463 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000939816308 612970225 /nfs/dbraw/zinc/97/02/25/612970225.db2.gz PDKYRWSNMDVYLF-RHSMWYFYSA-N 1 3 299.418 1.432 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000948069795 613131664 /nfs/dbraw/zinc/13/16/64/613131664.db2.gz KNDAWOVYUHYVNW-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000948069795 613131665 /nfs/dbraw/zinc/13/16/65/613131665.db2.gz KNDAWOVYUHYVNW-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944444615 613535296 /nfs/dbraw/zinc/53/52/96/613535296.db2.gz KUQBZJBISDLEMF-OCCSQVGLSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC000944444615 613535299 /nfs/dbraw/zinc/53/52/99/613535299.db2.gz KUQBZJBISDLEMF-OCCSQVGLSA-N 1 3 290.411 1.663 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812761 613677833 /nfs/dbraw/zinc/67/78/33/613677833.db2.gz UOFQMLRIZOYCCB-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812761 613677834 /nfs/dbraw/zinc/67/78/34/613677834.db2.gz UOFQMLRIZOYCCB-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962730774 613842629 /nfs/dbraw/zinc/84/26/29/613842629.db2.gz PHTLKNJESRBQME-FVQHAEBGSA-N 1 3 299.418 1.594 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962730774 613842631 /nfs/dbraw/zinc/84/26/31/613842631.db2.gz PHTLKNJESRBQME-FVQHAEBGSA-N 1 3 299.418 1.594 20 30 CDEDHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000925608013 617550257 /nfs/dbraw/zinc/55/02/57/617550257.db2.gz DXTYJLOECNWXJT-XJKSGUPXSA-N 1 3 299.422 1.652 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000911765829 629482865 /nfs/dbraw/zinc/48/28/65/629482865.db2.gz ASUIWZOJKQFDNI-OLZOCXBDSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266767 1163220899 /nfs/dbraw/zinc/22/08/99/1163220899.db2.gz ZWAJZYSWAPWCAM-ZIAGYGMSSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132884807 1163500116 /nfs/dbraw/zinc/50/01/16/1163500116.db2.gz WGUBTUMDCSSODJ-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1NCc1ccc(N2CC[NH2+]CC2)o1 ZINC001574960170 1171062192 /nfs/dbraw/zinc/06/21/92/1171062192.db2.gz KUVDRQGUOYFVJT-CABCVRRESA-N 1 3 291.395 1.512 20 30 CDEDHO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCCC[C@H]1N ZINC001579139013 1172104003 /nfs/dbraw/zinc/10/40/03/1172104003.db2.gz GVWJINLTLLNKSG-ZIAGYGMSSA-N 1 3 289.379 1.805 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001662644801 1172575016 /nfs/dbraw/zinc/57/50/16/1172575016.db2.gz FCUCVWXNTOXOJF-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001753323120 1183970315 /nfs/dbraw/zinc/97/03/15/1183970315.db2.gz LNEARZDYAHGBAH-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001753323120 1183970316 /nfs/dbraw/zinc/97/03/16/1183970316.db2.gz LNEARZDYAHGBAH-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC)CCCC2)CC1 ZINC001753512336 1185242699 /nfs/dbraw/zinc/24/26/99/1185242699.db2.gz YFLRUERNORXSFO-UHFFFAOYSA-N 1 3 291.439 1.370 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001753786696 1185334798 /nfs/dbraw/zinc/33/47/98/1185334798.db2.gz ZWJZCYXOVHZRKW-HNNXBMFYSA-N 1 3 288.395 1.336 20 30 CDEDHO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001755572998 1185995149 /nfs/dbraw/zinc/99/51/49/1185995149.db2.gz USSFZAUDPYYTLY-HOTGVXAUSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052430416 726017254 /nfs/dbraw/zinc/01/72/54/726017254.db2.gz SDLNWYOBEDXTCI-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052430416 726017255 /nfs/dbraw/zinc/01/72/55/726017255.db2.gz SDLNWYOBEDXTCI-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996301160 726042031 /nfs/dbraw/zinc/04/20/31/726042031.db2.gz QWJQKABNTKZPID-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041685560 726085784 /nfs/dbraw/zinc/08/57/84/726085784.db2.gz HRMHOCGYDMOVBV-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041685560 726085788 /nfs/dbraw/zinc/08/57/88/726085788.db2.gz HRMHOCGYDMOVBV-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000303874503 726266737 /nfs/dbraw/zinc/26/67/37/726266737.db2.gz HFTUINDCVQAGBS-HOCLYGCPSA-N 1 3 298.475 1.828 20 30 CDEDHO CCOCCCNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303777390 726295585 /nfs/dbraw/zinc/29/55/85/726295585.db2.gz IRVMEDJKVWSNAN-UHFFFAOYSA-N 1 3 284.448 1.582 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029004072 726348201 /nfs/dbraw/zinc/34/82/01/726348201.db2.gz SPBGPLHBCRXUIK-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029004072 726348204 /nfs/dbraw/zinc/34/82/04/726348204.db2.gz SPBGPLHBCRXUIK-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCCCN(C)Cc2ccccc2)N1 ZINC000393944400 726410340 /nfs/dbraw/zinc/41/03/40/726410340.db2.gz NLORNAZLWDNBMD-CYBMUJFWSA-N 1 3 260.385 1.446 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995899056 727006713 /nfs/dbraw/zinc/00/67/13/727006713.db2.gz VFMXLDNINYQXAV-LSDHHAIUSA-N 1 3 293.455 1.729 20 30 CDEDHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000876940027 727088402 /nfs/dbraw/zinc/08/84/02/727088402.db2.gz OKVNNPIFVFDFNS-UHFFFAOYSA-N 1 3 287.407 1.883 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044796222 727096397 /nfs/dbraw/zinc/09/63/97/727096397.db2.gz IKUZYDHGKDEXGF-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072978101 727143918 /nfs/dbraw/zinc/14/39/18/727143918.db2.gz CGOHXZDFSFEJIJ-UHFFFAOYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072978101 727143923 /nfs/dbraw/zinc/14/39/23/727143923.db2.gz CGOHXZDFSFEJIJ-UHFFFAOYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023123010 727151203 /nfs/dbraw/zinc/15/12/03/727151203.db2.gz NAHVPBJNQXNBQE-SYQHCUMBSA-N 1 3 299.846 1.849 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2CC)CC1(C)C ZINC000996674749 727151979 /nfs/dbraw/zinc/15/19/79/727151979.db2.gz WFHBSUVSKWMTDL-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001006084088 727316704 /nfs/dbraw/zinc/31/67/04/727316704.db2.gz MEKKJHXDKCAYJT-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161542 727373312 /nfs/dbraw/zinc/37/33/12/727373312.db2.gz HAUVQSOYHOLNDE-IHRRRGAJSA-N 1 3 297.830 1.318 20 30 CDEDHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1ccccc1C#N ZINC000923298287 727379864 /nfs/dbraw/zinc/37/98/64/727379864.db2.gz ACNKWHBHUYBOJF-GOEBONIOSA-N 1 3 291.395 1.261 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736767 727435434 /nfs/dbraw/zinc/43/54/34/727435434.db2.gz GOVDOKKXZKTRLW-GDBMZVCRSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001036736767 727435437 /nfs/dbraw/zinc/43/54/37/727435437.db2.gz GOVDOKKXZKTRLW-GDBMZVCRSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000876751726 727471062 /nfs/dbraw/zinc/47/10/62/727471062.db2.gz WMTSPJKHPOYGIM-RYUDHWBXSA-N 1 3 273.808 1.447 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000876751726 727471063 /nfs/dbraw/zinc/47/10/63/727471063.db2.gz WMTSPJKHPOYGIM-RYUDHWBXSA-N 1 3 273.808 1.447 20 30 CDEDHO CCCCCCNC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000303898988 727818718 /nfs/dbraw/zinc/81/87/18/727818718.db2.gz VVWNRXJYVMNQOQ-HNNXBMFYSA-N 1 3 297.491 1.355 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001052954753 727830825 /nfs/dbraw/zinc/83/08/25/727830825.db2.gz RLDXCVJNWZKTAR-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001052954753 727830826 /nfs/dbraw/zinc/83/08/26/727830826.db2.gz RLDXCVJNWZKTAR-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081146 727867967 /nfs/dbraw/zinc/86/79/67/727867967.db2.gz HHIPFQFUDGZMFA-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001050456768 728087218 /nfs/dbraw/zinc/08/72/18/728087218.db2.gz SPGQSUSMUHMRIQ-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042871 728204814 /nfs/dbraw/zinc/20/48/14/728204814.db2.gz MTZRIGCKRZPVBH-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042871 728204824 /nfs/dbraw/zinc/20/48/24/728204824.db2.gz MTZRIGCKRZPVBH-HOTGVXAUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201171 728338368 /nfs/dbraw/zinc/33/83/68/728338368.db2.gz CISRAFRCBBFGLL-SOUVJXGZSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050201171 728338371 /nfs/dbraw/zinc/33/83/71/728338371.db2.gz CISRAFRCBBFGLL-SOUVJXGZSA-N 1 3 277.412 1.047 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022453 905836429 /nfs/dbraw/zinc/83/64/29/905836429.db2.gz PEFBEYNFOLYOFI-KGLIPLIRSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168022453 905836433 /nfs/dbraw/zinc/83/64/33/905836433.db2.gz PEFBEYNFOLYOFI-KGLIPLIRSA-N 1 3 299.846 1.852 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088011051 906125794 /nfs/dbraw/zinc/12/57/94/906125794.db2.gz WQFOELFNYNJMKY-OWCLPIDISA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088011051 906125800 /nfs/dbraw/zinc/12/58/00/906125800.db2.gz WQFOELFNYNJMKY-OWCLPIDISA-N 1 3 291.439 1.130 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106143 906320430 /nfs/dbraw/zinc/32/04/30/906320430.db2.gz OFWJWUREKCRQIF-XHSDSOJGSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106143 906320434 /nfs/dbraw/zinc/32/04/34/906320434.db2.gz OFWJWUREKCRQIF-XHSDSOJGSA-N 1 3 291.439 1.437 20 30 CDEDHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCCC#N)CC1 ZINC001172492007 911727704 /nfs/dbraw/zinc/72/77/04/911727704.db2.gz POADWOKYUCYWJP-ZDUSSCGKSA-N 1 3 281.400 1.815 20 30 CDEDHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172492007 911727706 /nfs/dbraw/zinc/72/77/06/911727706.db2.gz POADWOKYUCYWJP-ZDUSSCGKSA-N 1 3 281.400 1.815 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178687983 915566141 /nfs/dbraw/zinc/56/61/41/915566141.db2.gz ATFWQNPCULUQOM-UHFFFAOYSA-N 1 3 281.444 1.923 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693620 915577416 /nfs/dbraw/zinc/57/74/16/915577416.db2.gz XWFBLAJTXSBWQT-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902410 915681081 /nfs/dbraw/zinc/68/10/81/915681081.db2.gz PHLYOQFEQAVIBN-ZFWWWQNUSA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902532 915682654 /nfs/dbraw/zinc/68/26/54/915682654.db2.gz VPHZJNAWUDAWDQ-ZFWWWQNUSA-N 1 3 277.412 1.073 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586932 915886718 /nfs/dbraw/zinc/88/67/18/915886718.db2.gz VRETZTKFJINMGO-INIZCTEOSA-N 1 3 293.455 1.618 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490743 921876914 /nfs/dbraw/zinc/87/69/14/921876914.db2.gz WOCVINKDGMULKG-INIZCTEOSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601075 937068091 /nfs/dbraw/zinc/06/80/91/937068091.db2.gz JFKPZEMCLZCUFT-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601075 937068094 /nfs/dbraw/zinc/06/80/94/937068094.db2.gz JFKPZEMCLZCUFT-HUUCEWRRSA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140255 937124421 /nfs/dbraw/zinc/12/44/21/937124421.db2.gz URYFPIBAFOOKBI-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001103140255 937124423 /nfs/dbraw/zinc/12/44/23/937124423.db2.gz URYFPIBAFOOKBI-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226711 937141566 /nfs/dbraw/zinc/14/15/66/937141566.db2.gz NGLYGIKWCJSIRC-UHFFFAOYSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001150626001 937240937 /nfs/dbraw/zinc/24/09/37/937240937.db2.gz RIYBGUDDUBMSEI-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001150626001 937240939 /nfs/dbraw/zinc/24/09/39/937240939.db2.gz RIYBGUDDUBMSEI-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134759594 929887945 /nfs/dbraw/zinc/88/79/45/929887945.db2.gz UPFDDVIJDIRSOV-ZDUSSCGKSA-N 1 3 253.390 1.141 20 30 CDEDHO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134763439 929889297 /nfs/dbraw/zinc/88/92/97/929889297.db2.gz YOETZBUCOLPQDZ-CQSZACIVSA-N 1 3 267.417 1.531 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743595 930393668 /nfs/dbraw/zinc/39/36/68/930393668.db2.gz MTAJNABNAFSXCB-CHWSQXEVSA-N 1 3 289.851 1.954 20 30 CDEDHO CN(Cc1ccc(C#N)cn1)CC1CC[NH+](C)CC1 ZINC001144160142 931675764 /nfs/dbraw/zinc/67/57/64/931675764.db2.gz AEPWRGGJHPIALD-UHFFFAOYSA-N 1 3 258.369 1.727 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001275633033 931919018 /nfs/dbraw/zinc/91/90/18/931919018.db2.gz UWYNXEUJLUYNIF-YMAMQOFZSA-N 1 3 279.428 1.319 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146594858 932270396 /nfs/dbraw/zinc/27/03/96/932270396.db2.gz VQOUNNSAFUTSLA-CHWSQXEVSA-N 1 3 255.406 1.386 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001037937164 935318337 /nfs/dbraw/zinc/31/83/37/935318337.db2.gz YIVHOGGRNKMGGO-JSGCOSHPSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001122065965 937902484 /nfs/dbraw/zinc/90/24/84/937902484.db2.gz IBNVLMZUTSERKK-QWHCGFSZSA-N 1 3 253.390 1.304 20 30 CDEDHO N#Cc1cc(Cl)ncc1C(F)(F)N[C@H](N)CCC[NH3+] ZINC001159787201 938753233 /nfs/dbraw/zinc/75/32/33/938753233.db2.gz TXCJDZMKVDRCFH-JTQLQIEISA-N 1 3 289.717 1.269 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205561854 939903090 /nfs/dbraw/zinc/90/30/90/939903090.db2.gz LVUICMKTDQVYNU-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274638 940010629 /nfs/dbraw/zinc/01/06/29/940010629.db2.gz KVGSFEGDSLVLKM-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001209423535 940589070 /nfs/dbraw/zinc/58/90/70/940589070.db2.gz RODZOUPOLHEEAZ-UHFFFAOYSA-N 1 3 253.434 1.912 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210313971 940682459 /nfs/dbraw/zinc/68/24/59/940682459.db2.gz CSTFFMXNEHAGEI-UKRRQHHQSA-N 1 3 266.385 1.570 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210315981 940682593 /nfs/dbraw/zinc/68/25/93/940682593.db2.gz STYCRBRPUXRKAB-HOCLYGCPSA-N 1 3 280.412 1.960 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215540839 940892920 /nfs/dbraw/zinc/89/29/20/940892920.db2.gz RJQFUFMPRNLXKJ-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO CCCCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491965 941602227 /nfs/dbraw/zinc/60/22/27/941602227.db2.gz LLLHOUFGDYOZQC-GJZGRUSLSA-N 1 3 253.434 1.983 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001223507427 941682904 /nfs/dbraw/zinc/68/29/04/941682904.db2.gz RYRDYKIMDHVMOL-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001223507427 941682906 /nfs/dbraw/zinc/68/29/06/941682906.db2.gz RYRDYKIMDHVMOL-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224537570 941766520 /nfs/dbraw/zinc/76/65/20/941766520.db2.gz RTDQXTVPHSLUBB-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229876976 942547083 /nfs/dbraw/zinc/54/70/83/942547083.db2.gz HMCJSWDAEDNMEL-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001277979694 944423685 /nfs/dbraw/zinc/42/36/85/944423685.db2.gz ACPUFFGQVXQKJY-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327145730 954735364 /nfs/dbraw/zinc/73/53/64/954735364.db2.gz GIYQAMNUCJSBPY-JKSUJKDBSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327145730 954735367 /nfs/dbraw/zinc/73/53/67/954735367.db2.gz GIYQAMNUCJSBPY-JKSUJKDBSA-N 1 3 293.455 1.567 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CCC)C1 ZINC001436400804 962236900 /nfs/dbraw/zinc/23/69/00/962236900.db2.gz QPNQXUGIMPJPQW-JOCQHMNTSA-N 1 3 287.835 1.565 20 30 CDEDHO C=CCN1CCC(NC(=O)CC(C)(C)C[NH3+])CC1 ZINC001340854304 963156724 /nfs/dbraw/zinc/15/67/24/963156724.db2.gz QWUDFSLVBPJQMS-UHFFFAOYSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001341677877 963508835 /nfs/dbraw/zinc/50/88/35/963508835.db2.gz USYBTJNERMUTEN-CABCVRRESA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001341677877 963508838 /nfs/dbraw/zinc/50/88/38/963508838.db2.gz USYBTJNERMUTEN-CABCVRRESA-N 1 3 281.444 1.907 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100335272 968045618 /nfs/dbraw/zinc/04/56/18/968045618.db2.gz RKRXRSSDUKUGGI-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001357363082 969575968 /nfs/dbraw/zinc/57/59/68/969575968.db2.gz VWOVGOGJTFSGCH-OCCSQVGLSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001357363082 969575971 /nfs/dbraw/zinc/57/59/71/969575971.db2.gz VWOVGOGJTFSGCH-OCCSQVGLSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001357661265 969638579 /nfs/dbraw/zinc/63/85/79/969638579.db2.gz VQIWTASNWYTOIP-KBPBESRZSA-N 1 3 279.428 1.661 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001377032445 974861523 /nfs/dbraw/zinc/86/15/23/974861523.db2.gz BQOGUZORHSXUPY-GFCCVEGCSA-N 1 3 287.835 1.708 20 30 CDEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441427 1173947989 /nfs/dbraw/zinc/94/79/89/1173947989.db2.gz ZEVKKDGHPLCLRP-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674441427 1173947992 /nfs/dbraw/zinc/94/79/92/1173947992.db2.gz ZEVKKDGHPLCLRP-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C[NH+](C)CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594437094 342898327 /nfs/dbraw/zinc/89/83/27/342898327.db2.gz HWVIKNSRUIFAFH-UONOGXRCSA-N 1 3 296.459 1.880 20 30 CDEDHO C[C@H](CCC#N)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000602473009 344430143 /nfs/dbraw/zinc/43/01/43/344430143.db2.gz GUPZQRUAHCKHKN-CVEARBPZSA-N 1 3 278.444 1.638 20 30 CDEDHO C[C@H](CCC#N)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000602473009 344430144 /nfs/dbraw/zinc/43/01/44/344430144.db2.gz GUPZQRUAHCKHKN-CVEARBPZSA-N 1 3 278.444 1.638 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264123705 362973724 /nfs/dbraw/zinc/97/37/24/362973724.db2.gz VRAARCYPFFBBKD-ZDUSSCGKSA-N 1 3 292.427 1.830 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000236687686 358798700 /nfs/dbraw/zinc/79/87/00/358798700.db2.gz YIMBMCMBRQTKJC-HUUCEWRRSA-N 1 3 279.428 1.553 20 30 CDEDHO C=CCOCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000348029145 359777210 /nfs/dbraw/zinc/77/72/10/359777210.db2.gz HJAZDKSREMJVOW-OAHLLOKOSA-N 1 3 252.402 1.997 20 30 CDEDHO C=CCOCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000348029145 359777214 /nfs/dbraw/zinc/77/72/14/359777214.db2.gz HJAZDKSREMJVOW-OAHLLOKOSA-N 1 3 252.402 1.997 20 30 CDEDHO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000247298490 361052253 /nfs/dbraw/zinc/05/22/53/361052253.db2.gz HSGSZCIMELVRMW-GJZGRUSLSA-N 1 3 254.418 1.977 20 30 CDEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000247298490 361052255 /nfs/dbraw/zinc/05/22/55/361052255.db2.gz HSGSZCIMELVRMW-GJZGRUSLSA-N 1 3 254.418 1.977 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000563809270 378176524 /nfs/dbraw/zinc/17/65/24/378176524.db2.gz UTYGHPHYZXNLHW-QWHCGFSZSA-N 1 3 282.432 1.452 20 30 CDEDHO C#Cc1ccc(C[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000290453900 378397093 /nfs/dbraw/zinc/39/70/93/378397093.db2.gz TUHYVSNLPHCMNZ-UHFFFAOYSA-N 1 3 285.435 1.785 20 30 CDEDHO C=CCOCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000339053321 391247485 /nfs/dbraw/zinc/24/74/85/391247485.db2.gz BMTUYSQXGLCHFI-UHFFFAOYSA-N 1 3 269.433 1.147 20 30 CDEDHO C=CCOCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000339053321 391247486 /nfs/dbraw/zinc/24/74/86/391247486.db2.gz BMTUYSQXGLCHFI-UHFFFAOYSA-N 1 3 269.433 1.147 20 30 CDEDHO C[C@H]1C[NH+]=C(NCCc2ccc(OCCN(C)C)cc2)N1 ZINC000262690082 391813556 /nfs/dbraw/zinc/81/35/56/391813556.db2.gz ZYPGDUBOQREOJX-ZDUSSCGKSA-N 1 3 290.411 1.107 20 30 CDEDHO C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414705114 263033451 /nfs/dbraw/zinc/03/34/51/263033451.db2.gz NOGDSQAFTWMZPD-HNNXBMFYSA-N 1 3 281.444 1.862 20 30 CDEDHO C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414705114 263033452 /nfs/dbraw/zinc/03/34/52/263033452.db2.gz NOGDSQAFTWMZPD-HNNXBMFYSA-N 1 3 281.444 1.862 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCCCN2CCc3ccccc3C2)N1 ZINC000284986712 263088845 /nfs/dbraw/zinc/08/88/45/263088845.db2.gz HBOAOZDNAMOHFQ-CYBMUJFWSA-N 1 3 272.396 1.372 20 30 CDEDHO C=CC[C@H]1CCCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000661384375 424292748 /nfs/dbraw/zinc/29/27/48/424292748.db2.gz INKLJSFKTBJPLQ-LSDHHAIUSA-N 1 3 254.418 1.976 20 30 CDEDHO C=CC[C@H]1CCCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000661384375 424292755 /nfs/dbraw/zinc/29/27/55/424292755.db2.gz INKLJSFKTBJPLQ-LSDHHAIUSA-N 1 3 254.418 1.976 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673379994 1173850975 /nfs/dbraw/zinc/85/09/75/1173850975.db2.gz GIYQAMNUCJSBPY-CVEARBPZSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673379994 1173850978 /nfs/dbraw/zinc/85/09/78/1173850978.db2.gz GIYQAMNUCJSBPY-CVEARBPZSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000171732644 329079541 /nfs/dbraw/zinc/07/95/41/329079541.db2.gz RCEBGIKYQINUIK-AWEZNQCLSA-N 1 3 296.459 1.666 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000171732644 329079543 /nfs/dbraw/zinc/07/95/43/329079543.db2.gz RCEBGIKYQINUIK-AWEZNQCLSA-N 1 3 296.459 1.666 20 30 CDEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423014153 330165504 /nfs/dbraw/zinc/16/55/04/330165504.db2.gz HLQNLDMMVKIAAJ-ZQDZILKHSA-N 1 3 252.402 1.681 20 30 CDEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424137722 330274909 /nfs/dbraw/zinc/27/49/09/330274909.db2.gz SLFAGGZTKKLQCU-KFWWJZLASA-N 1 3 294.443 1.492 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148058 330294955 /nfs/dbraw/zinc/29/49/55/330294955.db2.gz SZBSKDYCCUDKOB-LSDHHAIUSA-N 1 3 292.427 1.388 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424148058 330294956 /nfs/dbraw/zinc/29/49/56/330294956.db2.gz SZBSKDYCCUDKOB-LSDHHAIUSA-N 1 3 292.427 1.388 20 30 CDEDHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424183271 330320014 /nfs/dbraw/zinc/32/00/14/330320014.db2.gz VDRNQHNBDUEXNQ-QWHCGFSZSA-N 1 3 268.405 1.244 20 30 CDEDHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424183271 330320015 /nfs/dbraw/zinc/32/00/15/330320015.db2.gz VDRNQHNBDUEXNQ-QWHCGFSZSA-N 1 3 268.405 1.244 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)CC1 ZINC000669465245 483172808 /nfs/dbraw/zinc/17/28/08/483172808.db2.gz DGRGJIQKJSGHGU-ZFWWWQNUSA-N 1 3 294.443 1.406 20 30 CDEDHO CCOCCCN1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC000682535144 483276906 /nfs/dbraw/zinc/27/69/06/483276906.db2.gz AQHYEOBZXTWRTM-JKSUJKDBSA-N 1 3 282.428 1.363 20 30 CDEDHO COc1cc(CNCCOCC[NH+](C)C)ccc1C#N ZINC000234842641 536798802 /nfs/dbraw/zinc/79/88/02/536798802.db2.gz QWANXUXTIJZRCG-UHFFFAOYSA-N 1 3 277.368 1.235 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000764506477 575917120 /nfs/dbraw/zinc/91/71/20/575917120.db2.gz HWBZEMBHQCETPN-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000764506477 575917121 /nfs/dbraw/zinc/91/71/21/575917121.db2.gz HWBZEMBHQCETPN-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000764608769 575925243 /nfs/dbraw/zinc/92/52/43/575925243.db2.gz CJFSAQFADJTZTF-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648138 612996912 /nfs/dbraw/zinc/99/69/12/612996912.db2.gz JJWMVSJGJLSZPA-GOEBONIOSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648138 612996913 /nfs/dbraw/zinc/99/69/13/612996913.db2.gz JJWMVSJGJLSZPA-GOEBONIOSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555461 613221960 /nfs/dbraw/zinc/22/19/60/613221960.db2.gz KMIFEOKCUBLWSA-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678500 613616383 /nfs/dbraw/zinc/61/63/83/613616383.db2.gz NAIJJWBPYIGSKO-KGLIPLIRSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678500 613616384 /nfs/dbraw/zinc/61/63/84/613616384.db2.gz NAIJJWBPYIGSKO-KGLIPLIRSA-N 1 3 265.401 1.045 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353870 613632617 /nfs/dbraw/zinc/63/26/17/613632617.db2.gz JCBNHLYEKBWEGH-STQMWFEESA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353870 613632618 /nfs/dbraw/zinc/63/26/18/613632618.db2.gz JCBNHLYEKBWEGH-STQMWFEESA-N 1 3 253.390 1.045 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960287399 613837710 /nfs/dbraw/zinc/83/77/10/613837710.db2.gz HBECFSZZWANQDK-AIANPOQGSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960287399 613837712 /nfs/dbraw/zinc/83/77/12/613837712.db2.gz HBECFSZZWANQDK-AIANPOQGSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911865512 629577171 /nfs/dbraw/zinc/57/71/71/629577171.db2.gz RUJQPZUGTXAMDS-WXRRBKDZSA-N 1 3 253.390 1.398 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135063 1163580222 /nfs/dbraw/zinc/58/02/22/1163580222.db2.gz KZLUXGGQGUTGKC-UONOGXRCSA-N 1 3 290.411 1.603 20 30 CDEDHO C=CCC[C@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC001252617911 1164689715 /nfs/dbraw/zinc/68/97/15/1164689715.db2.gz ACCINGDMTKDCGM-HNNXBMFYSA-N 1 3 252.402 1.778 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202526437 1164983344 /nfs/dbraw/zinc/98/33/44/1164983344.db2.gz HMSQMKDZFBNWPM-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C[C@H]([NH3+])C1CC1 ZINC001574920972 1171049708 /nfs/dbraw/zinc/04/97/08/1171049708.db2.gz NNCBJSLLMOLHIR-ZDUSSCGKSA-N 1 3 253.390 1.080 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001752775770 1184909705 /nfs/dbraw/zinc/90/97/05/1184909705.db2.gz VQCHOYJWPBJLNB-TUVASFSCSA-N 1 3 277.412 1.119 20 30 CDEDHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840134 1184928545 /nfs/dbraw/zinc/92/85/45/1184928545.db2.gz HACKNYLGOOMDQI-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001752840134 1184928549 /nfs/dbraw/zinc/92/85/49/1184928549.db2.gz HACKNYLGOOMDQI-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001752901436 1184957148 /nfs/dbraw/zinc/95/71/48/1184957148.db2.gz QLCGVWLJZMLWGR-SWLSCSKDSA-N 1 3 285.407 1.479 20 30 CDEDHO C=CCC[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001752902372 1184957388 /nfs/dbraw/zinc/95/73/88/1184957388.db2.gz ZVSPZELXKJENFG-CYBMUJFWSA-N 1 3 269.433 1.635 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001753332975 1185159749 /nfs/dbraw/zinc/15/97/49/1185159749.db2.gz ZKYNFTKJLOEYGU-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CC[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001753332975 1185159753 /nfs/dbraw/zinc/15/97/53/1185159753.db2.gz ZKYNFTKJLOEYGU-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001753726264 1185318311 /nfs/dbraw/zinc/31/83/11/1185318311.db2.gz IIEFDDXMDDHXOL-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001753742436 1185325914 /nfs/dbraw/zinc/32/59/14/1185325914.db2.gz SBKMKVYJGXUEBM-HZPDHXFCSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001753897594 1185385640 /nfs/dbraw/zinc/38/56/40/1185385640.db2.gz LTRMSSZQDXDRFV-KGLIPLIRSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001754604580 1185679487 /nfs/dbraw/zinc/67/94/87/1185679487.db2.gz PLIZMPJRHTVICT-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)CN(CC)CC ZINC001114353808 1164501016 /nfs/dbraw/zinc/50/10/16/1164501016.db2.gz ZOZZILAVZNCBBD-LJISPDSOSA-N 1 3 297.418 1.289 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)CN(CC)CC ZINC001114353808 1164501021 /nfs/dbraw/zinc/50/10/21/1164501021.db2.gz ZOZZILAVZNCBBD-LJISPDSOSA-N 1 3 297.418 1.289 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766208 728865964 /nfs/dbraw/zinc/86/59/64/728865964.db2.gz CMWDKCXUHOPLDQ-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766208 728865966 /nfs/dbraw/zinc/86/59/66/728865966.db2.gz CMWDKCXUHOPLDQ-HZPDHXFCSA-N 1 3 289.423 1.075 20 30 CDEDHO CN(CCCNC1=[NH+]CCCN1C)Cc1ccccc1 ZINC000386337204 728446510 /nfs/dbraw/zinc/44/65/10/728446510.db2.gz WKODKJQUTCKFMT-UHFFFAOYSA-N 1 3 274.412 1.790 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989795973 729019082 /nfs/dbraw/zinc/01/90/82/729019082.db2.gz FLYCOTRUDVATRY-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(C)C)CC1 ZINC001039042362 729299875 /nfs/dbraw/zinc/29/98/75/729299875.db2.gz QMVSJDNLEVNZPX-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(C)C)CC1 ZINC001039042362 729299879 /nfs/dbraw/zinc/29/98/79/729299879.db2.gz QMVSJDNLEVNZPX-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001021094557 729361480 /nfs/dbraw/zinc/36/14/80/729361480.db2.gz SNLZLTYXIYXEMI-IHRRRGAJSA-N 1 3 265.401 1.284 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001054735300 729531808 /nfs/dbraw/zinc/53/18/08/729531808.db2.gz CFKCBUHGSZKRSL-TZMCWYRMSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001026285315 729699494 /nfs/dbraw/zinc/69/94/94/729699494.db2.gz ZCEOPRUCIDDIFW-CWRNSKLLSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001001001788 729701434 /nfs/dbraw/zinc/70/14/34/729701434.db2.gz LUPDSXOIDJJJSZ-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]12 ZINC001026283887 729756180 /nfs/dbraw/zinc/75/61/80/729756180.db2.gz MXDKKUDCJGXFJF-QLFBSQMISA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001023403283 729806899 /nfs/dbraw/zinc/80/68/99/729806899.db2.gz IMEXKDZLJJYXTL-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023403283 729806903 /nfs/dbraw/zinc/80/69/03/729806903.db2.gz IMEXKDZLJJYXTL-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001021091064 729938861 /nfs/dbraw/zinc/93/88/61/729938861.db2.gz RIXDFDLQKVBQAE-KBUPBQIOSA-N 1 3 279.428 1.672 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049895946 730017585 /nfs/dbraw/zinc/01/75/85/730017585.db2.gz LARRIJQOGUUZMC-ARFHVFGLSA-N 1 3 289.423 1.027 20 30 CDEDHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049895946 730017588 /nfs/dbraw/zinc/01/75/88/730017588.db2.gz LARRIJQOGUUZMC-ARFHVFGLSA-N 1 3 289.423 1.027 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027970350 730368557 /nfs/dbraw/zinc/36/85/57/730368557.db2.gz ARWOGUGWWUZRFU-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027970350 730368562 /nfs/dbraw/zinc/36/85/62/730368562.db2.gz ARWOGUGWWUZRFU-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970350 730368564 /nfs/dbraw/zinc/36/85/64/730368564.db2.gz ARWOGUGWWUZRFU-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970350 730368566 /nfs/dbraw/zinc/36/85/66/730368566.db2.gz ARWOGUGWWUZRFU-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001574971884 1167643422 /nfs/dbraw/zinc/64/34/22/1167643422.db2.gz JFNLMUNQGKLUMK-HUUCEWRRSA-N 1 3 279.428 1.498 20 30 CDEDHO CC#CC[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001574971884 1167643425 /nfs/dbraw/zinc/64/34/25/1167643425.db2.gz JFNLMUNQGKLUMK-HUUCEWRRSA-N 1 3 279.428 1.498 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001574902602 1167642045 /nfs/dbraw/zinc/64/20/45/1167642045.db2.gz DCYSLUPVZGPHAW-ZIAGYGMSSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001574908385 1167642088 /nfs/dbraw/zinc/64/20/88/1167642088.db2.gz LWLJCZQPNJTPDN-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001574908385 1167642095 /nfs/dbraw/zinc/64/20/95/1167642095.db2.gz LWLJCZQPNJTPDN-UONOGXRCSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666053 914114290 /nfs/dbraw/zinc/11/42/90/914114290.db2.gz GFAQFHGJOUFNGK-RBSFLKMASA-N 1 3 279.428 1.198 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809207 899526510 /nfs/dbraw/zinc/52/65/10/899526510.db2.gz BDAGDEZZFYNXBU-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963259 921242351 /nfs/dbraw/zinc/24/23/51/921242351.db2.gz MWKWIFTVUZNWCC-LSDHHAIUSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320694 909021895 /nfs/dbraw/zinc/02/18/95/909021895.db2.gz LDCJIENADWCBJK-UHFFFAOYSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168346193 909138512 /nfs/dbraw/zinc/13/85/12/909138512.db2.gz XANBXXMXLUGUGN-HNNXBMFYSA-N 1 3 293.455 1.923 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCN(CCC[NH3+])CC1 ZINC001172301635 911543374 /nfs/dbraw/zinc/54/33/74/911543374.db2.gz SLVUVDXZQWVVPD-OAHLLOKOSA-N 1 3 286.423 1.456 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617744 915907217 /nfs/dbraw/zinc/90/72/17/915907217.db2.gz OBNLRDYABHSPNV-JSGCOSHPSA-N 1 3 276.384 1.497 20 30 CDEDHO CC#CCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680428 936396752 /nfs/dbraw/zinc/39/67/52/936396752.db2.gz KURUIURQHHLQTM-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755241 917341952 /nfs/dbraw/zinc/34/19/52/917341952.db2.gz KURSTMUDGMARAE-UKPHBRMFSA-N 1 3 291.439 1.034 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288439 918423223 /nfs/dbraw/zinc/42/32/23/918423223.db2.gz ICQJGJXLXGZPJA-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190435845 922009835 /nfs/dbraw/zinc/00/98/35/922009835.db2.gz KCYPCMCJYDVPCM-GJZGRUSLSA-N 1 3 299.434 1.775 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190435845 922009843 /nfs/dbraw/zinc/00/98/43/922009843.db2.gz KCYPCMCJYDVPCM-GJZGRUSLSA-N 1 3 299.434 1.775 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190900481 922259435 /nfs/dbraw/zinc/25/94/35/922259435.db2.gz QDSQALDPZWRYCL-LSDHHAIUSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190900481 922259447 /nfs/dbraw/zinc/25/94/47/922259447.db2.gz QDSQALDPZWRYCL-LSDHHAIUSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207697 922543154 /nfs/dbraw/zinc/54/31/54/922543154.db2.gz NQXUYLHFTATWAS-HZPDHXFCSA-N 1 3 291.439 1.485 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266703 924140437 /nfs/dbraw/zinc/14/04/37/924140437.db2.gz YSSTYGOLGZSRNL-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266703 924140445 /nfs/dbraw/zinc/14/04/45/924140445.db2.gz YSSTYGOLGZSRNL-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150796639 937249962 /nfs/dbraw/zinc/24/99/62/937249962.db2.gz WTCQWHVBZMIHDM-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150796639 937249965 /nfs/dbraw/zinc/24/99/65/937249965.db2.gz WTCQWHVBZMIHDM-OAHLLOKOSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC)C2)CC1 ZINC001086558500 929414045 /nfs/dbraw/zinc/41/40/45/929414045.db2.gz VEOUXWUYLYWTGV-KOMQPUFPSA-N 1 3 291.439 1.226 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115733155 937416967 /nfs/dbraw/zinc/41/69/67/937416967.db2.gz PSIUYDCMABKKGY-AWEZNQCLSA-N 1 3 281.444 1.921 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153506816 937449423 /nfs/dbraw/zinc/44/94/23/937449423.db2.gz FMFRORZWPVHANC-OWCLPIDISA-N 1 3 293.455 1.567 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153506816 937449425 /nfs/dbraw/zinc/44/94/25/937449425.db2.gz FMFRORZWPVHANC-OWCLPIDISA-N 1 3 293.455 1.567 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153720363 937463678 /nfs/dbraw/zinc/46/36/78/937463678.db2.gz FCKQFNHKBZCAOQ-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153720363 937463680 /nfs/dbraw/zinc/46/36/80/937463680.db2.gz FCKQFNHKBZCAOQ-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437792 932477848 /nfs/dbraw/zinc/47/78/48/932477848.db2.gz HEXDXLXTIQEITM-SUJAAXHWSA-N 1 3 291.439 1.624 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095437792 932477855 /nfs/dbraw/zinc/47/78/55/932477855.db2.gz HEXDXLXTIQEITM-SUJAAXHWSA-N 1 3 291.439 1.624 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092021615 932910577 /nfs/dbraw/zinc/91/05/77/932910577.db2.gz FAYUOFGDMZDENH-VYDXJSESSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092021615 932910581 /nfs/dbraw/zinc/91/05/81/932910581.db2.gz FAYUOFGDMZDENH-VYDXJSESSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835499 935006979 /nfs/dbraw/zinc/00/69/79/935006979.db2.gz LIKHWYLZALRCSW-AIANPOQGSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835499 935006985 /nfs/dbraw/zinc/00/69/85/935006985.db2.gz LIKHWYLZALRCSW-AIANPOQGSA-N 1 3 291.439 1.341 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001203902563 939712252 /nfs/dbraw/zinc/71/22/52/939712252.db2.gz GFUYIBIYVSLXFO-MRXNPFEDSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001203902562 939712469 /nfs/dbraw/zinc/71/24/69/939712469.db2.gz GFUYIBIYVSLXFO-INIZCTEOSA-N 1 3 291.439 1.465 20 30 CDEDHO C[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1C[NH3+] ZINC001205136087 939826948 /nfs/dbraw/zinc/82/69/48/939826948.db2.gz MNVWARKLCFYBDM-GXTWGEPZSA-N 1 3 259.353 1.616 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)s1 ZINC001205241626 939840903 /nfs/dbraw/zinc/84/09/03/939840903.db2.gz UERHMVLBFRXITK-CYBMUJFWSA-N 1 3 265.382 1.295 20 30 CDEDHO N#Cc1ccc2c(CN3CCCC[C@@](O)(C[NH3+])C3)c[nH]c2c1 ZINC001205683011 939918467 /nfs/dbraw/zinc/91/84/67/939918467.db2.gz WEHHRGXFKGSPKC-QGZVFWFLSA-N 1 3 298.390 1.715 20 30 CDEDHO N#Cc1ccc2c(C[N@H+]3CCCC[C@@](O)(CN)C3)c[nH]c2c1 ZINC001205683011 939918468 /nfs/dbraw/zinc/91/84/68/939918468.db2.gz WEHHRGXFKGSPKC-QGZVFWFLSA-N 1 3 298.390 1.715 20 30 CDEDHO N#Cc1ccc2c(C[N@@H+]3CCCC[C@@](O)(CN)C3)c[nH]c2c1 ZINC001205683011 939918469 /nfs/dbraw/zinc/91/84/69/939918469.db2.gz WEHHRGXFKGSPKC-QGZVFWFLSA-N 1 3 298.390 1.715 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855723 940841208 /nfs/dbraw/zinc/84/12/08/940841208.db2.gz MAAYUNCDIYLZIT-BMFZPTHFSA-N 1 3 293.455 1.729 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844913 940968628 /nfs/dbraw/zinc/96/86/28/940968628.db2.gz NYVOWCMWIBWEEV-BZUAXINKSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001223023382 941650678 /nfs/dbraw/zinc/65/06/78/941650678.db2.gz IUQYKCQKSBESGX-CABCVRRESA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223023382 941650681 /nfs/dbraw/zinc/65/06/81/941650681.db2.gz IUQYKCQKSBESGX-CABCVRRESA-N 1 3 293.455 1.826 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227816708 942231507 /nfs/dbraw/zinc/23/15/07/942231507.db2.gz HHTLPCCIKMUTIA-AWEZNQCLSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001229058274 942412702 /nfs/dbraw/zinc/41/27/02/942412702.db2.gz JABGAXJKKRWEIC-OAHLLOKOSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)CN(C)CCC)CC1 ZINC001230115316 942585722 /nfs/dbraw/zinc/58/57/22/942585722.db2.gz OCCUESWOBNOLIC-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001263103031 943745087 /nfs/dbraw/zinc/74/50/87/943745087.db2.gz LSKNABYQCHUGLX-DYEKYZERSA-N 1 3 265.401 1.411 20 30 CDEDHO C=C(C)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702545143 944647940 /nfs/dbraw/zinc/64/79/40/944647940.db2.gz PMDKXTROJCYFER-INIZCTEOSA-N 1 3 260.381 1.789 20 30 CDEDHO C=C(C)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702545143 944647944 /nfs/dbraw/zinc/64/79/44/944647944.db2.gz PMDKXTROJCYFER-INIZCTEOSA-N 1 3 260.381 1.789 20 30 CDEDHO C#CCCN1CCC[C@@H]([NH2+][C@H]2CCCN(C)CC2)C1=O ZINC001254510969 947474026 /nfs/dbraw/zinc/47/40/26/947474026.db2.gz ZJLHEPLAEUMVQZ-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@H]1CC[C@@H](C#N)C1 ZINC001254646624 947569086 /nfs/dbraw/zinc/56/90/86/947569086.db2.gz NQFTUOHPZIAONO-FRRDWIJNSA-N 1 3 296.415 1.858 20 30 CDEDHO C=CCOC[C@@H](O)CN(CCC)CCC[NH+](C)C ZINC001252473182 951327716 /nfs/dbraw/zinc/32/77/16/951327716.db2.gz IEKUHWWWTDTTMP-AWEZNQCLSA-N 1 3 258.406 1.214 20 30 CDEDHO C=C[C@@H](CO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050610 952174688 /nfs/dbraw/zinc/17/46/88/952174688.db2.gz PWIZKLYCSHBPSS-INIZCTEOSA-N 1 3 290.407 1.150 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001480623758 971812617 /nfs/dbraw/zinc/81/26/17/971812617.db2.gz MYUQYKIEOWFMKR-ZDUSSCGKSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001328911978 955549413 /nfs/dbraw/zinc/54/94/13/955549413.db2.gz OLLOYTFPKQIXRI-YMAMQOFZSA-N 1 3 281.444 1.633 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317380328 956242569 /nfs/dbraw/zinc/24/25/69/956242569.db2.gz AUEPMQRKHYWSEL-LSDHHAIUSA-N 1 3 279.428 1.273 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317380328 956242576 /nfs/dbraw/zinc/24/25/76/956242576.db2.gz AUEPMQRKHYWSEL-LSDHHAIUSA-N 1 3 279.428 1.273 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCC)C1 ZINC001366129249 956588514 /nfs/dbraw/zinc/58/85/14/956588514.db2.gz AIOCECNAXUALGT-HAQNSBGRSA-N 1 3 273.808 1.318 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001340914542 963188183 /nfs/dbraw/zinc/18/81/83/963188183.db2.gz ZQCUGKQTSXYJMA-MJBXVCDLSA-N 1 3 269.433 1.918 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC001341488689 963434970 /nfs/dbraw/zinc/43/49/70/963434970.db2.gz NLMGKQFGFCATFF-STQMWFEESA-N 1 3 257.422 1.870 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC001342060172 963623837 /nfs/dbraw/zinc/62/38/37/963623837.db2.gz KDMQJWGMBIYNIC-AWEZNQCLSA-N 1 3 279.359 1.584 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441402412 964500550 /nfs/dbraw/zinc/50/05/50/964500550.db2.gz BWPHAKIALZVOEN-HAQNSBGRSA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001347881405 965736154 /nfs/dbraw/zinc/73/61/54/965736154.db2.gz HBQLBJALHMAMLN-GFCCVEGCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678321 968933640 /nfs/dbraw/zinc/93/36/40/968933640.db2.gz HIOKBIZJTNBYKR-WLYUNCDWSA-N 1 3 279.428 1.389 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681927 968939966 /nfs/dbraw/zinc/93/99/66/968939966.db2.gz YTOFKRQUTJGRPC-UHFFFAOYSA-N 1 3 293.455 1.472 20 30 CDEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848719403 969256287 /nfs/dbraw/zinc/25/62/87/969256287.db2.gz DHXZQVYEVJMTAZ-UONOGXRCSA-N 1 3 259.353 1.948 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133347759 1163649932 /nfs/dbraw/zinc/64/99/32/1163649932.db2.gz ZHJHCCYTALROPI-HUUCEWRRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001574908416 1171047060 /nfs/dbraw/zinc/04/70/60/1171047060.db2.gz MXFSPYKAVMKNDT-LSDHHAIUSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001574908416 1171047067 /nfs/dbraw/zinc/04/70/67/1171047067.db2.gz MXFSPYKAVMKNDT-LSDHHAIUSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001574908416 1171047076 /nfs/dbraw/zinc/04/70/76/1171047076.db2.gz MXFSPYKAVMKNDT-LSDHHAIUSA-N 1 3 279.428 1.803 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611584609 346826277 /nfs/dbraw/zinc/82/62/77/346826277.db2.gz BSHLOXVJSGOVNX-JHJVBQTASA-N 1 3 263.385 1.915 20 30 CDEDHO CC(C#N)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584609 346826280 /nfs/dbraw/zinc/82/62/80/346826280.db2.gz BSHLOXVJSGOVNX-JHJVBQTASA-N 1 3 263.385 1.915 20 30 CDEDHO CCC(C#N)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000593418271 342799843 /nfs/dbraw/zinc/79/98/43/342799843.db2.gz DJFZCSIUNIZCOR-GFCCVEGCSA-N 1 3 250.346 1.230 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000594441772 342907676 /nfs/dbraw/zinc/90/76/76/342907676.db2.gz WRCXOSKWFAEDJC-KFWWJZLASA-N 1 3 294.443 1.777 20 30 CDEDHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000594441772 342907677 /nfs/dbraw/zinc/90/76/77/342907677.db2.gz WRCXOSKWFAEDJC-KFWWJZLASA-N 1 3 294.443 1.777 20 30 CDEDHO C[C@@H](CCC#N)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000602473010 344429699 /nfs/dbraw/zinc/42/96/99/344429699.db2.gz GUPZQRUAHCKHKN-HOTGVXAUSA-N 1 3 278.444 1.638 20 30 CDEDHO C[C@@H](CCC#N)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000602473010 344429702 /nfs/dbraw/zinc/42/97/02/344429702.db2.gz GUPZQRUAHCKHKN-HOTGVXAUSA-N 1 3 278.444 1.638 20 30 CDEDHO C[C@H](CCC#N)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000602473011 344430172 /nfs/dbraw/zinc/43/01/72/344430172.db2.gz GUPZQRUAHCKHKN-HZPDHXFCSA-N 1 3 278.444 1.638 20 30 CDEDHO C[C@H](CCC#N)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000602473011 344430173 /nfs/dbraw/zinc/43/01/73/344430173.db2.gz GUPZQRUAHCKHKN-HZPDHXFCSA-N 1 3 278.444 1.638 20 30 CDEDHO C[C@H](CCC#N)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602548985 344463851 /nfs/dbraw/zinc/46/38/51/344463851.db2.gz QAUFVBNAZNDORN-CABCVRRESA-N 1 3 278.444 1.684 20 30 CDEDHO COCC#CCN(C)CCCC[NH+]1CCCCC1 ZINC000640532622 362402296 /nfs/dbraw/zinc/40/22/96/362402296.db2.gz HDQAQHASKVHTPV-UHFFFAOYSA-N 1 3 252.402 1.834 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000613255106 347542536 /nfs/dbraw/zinc/54/25/36/347542536.db2.gz KHUOADFZWIYWFC-HZPDHXFCSA-N 1 3 278.444 1.686 20 30 CDEDHO CNC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000264094918 362964969 /nfs/dbraw/zinc/96/49/69/362964969.db2.gz MFNWMNPXIOXHMQ-UHFFFAOYSA-N 1 3 290.411 1.441 20 30 CDEDHO CN1CCC(O)(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000267174656 190309014 /nfs/dbraw/zinc/30/90/14/190309014.db2.gz IWDVGIITAPOTQT-UHFFFAOYSA-N 1 3 265.382 1.166 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000339059095 391248612 /nfs/dbraw/zinc/24/86/12/391248612.db2.gz FMUGCSUMZDGHED-TWMKSMIVSA-N 1 3 290.455 1.636 20 30 CDEDHO CC[NH2+]CCNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423253410 392961090 /nfs/dbraw/zinc/96/10/90/392961090.db2.gz YWUUZPLHXUMMRA-UHFFFAOYSA-N 1 3 286.423 1.722 20 30 CDEDHO CCNCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423253410 392961096 /nfs/dbraw/zinc/96/10/96/392961096.db2.gz YWUUZPLHXUMMRA-UHFFFAOYSA-N 1 3 286.423 1.722 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC(C)(C)C1 ZINC000263026492 330039146 /nfs/dbraw/zinc/03/91/46/330039146.db2.gz ASMKNLQRFZTRDY-UONOGXRCSA-N 1 3 296.459 1.580 20 30 CDEDHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCC#N ZINC000424127598 330259685 /nfs/dbraw/zinc/25/96/85/330259685.db2.gz BDWQNAJUICINQT-KBPBESRZSA-N 1 3 280.416 1.388 20 30 CDEDHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCC#N ZINC000424127598 330259686 /nfs/dbraw/zinc/25/96/86/330259686.db2.gz BDWQNAJUICINQT-KBPBESRZSA-N 1 3 280.416 1.388 20 30 CDEDHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424143137 330286995 /nfs/dbraw/zinc/28/69/95/330286995.db2.gz VZVNWVAMDJUHHW-LSDHHAIUSA-N 1 3 288.395 1.427 20 30 CDEDHO C[NH+](C)CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000424147557 330293923 /nfs/dbraw/zinc/29/39/23/330293923.db2.gz ROVCHRFMKNVQAW-QWHCGFSZSA-N 1 3 282.432 1.490 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000490574502 332092895 /nfs/dbraw/zinc/09/28/95/332092895.db2.gz ZOUHHIGMDIJOKE-UHFFFAOYSA-N 1 3 291.439 1.324 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669465267 483173108 /nfs/dbraw/zinc/17/31/08/483173108.db2.gz OEUQCXGGVLGVMQ-UKRRQHHQSA-N 1 3 292.427 1.030 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669464958 483173208 /nfs/dbraw/zinc/17/32/08/483173208.db2.gz QVGWEUUAPWTSAN-CQSZACIVSA-N 1 3 294.443 1.468 20 30 CDEDHO C=C(C)CN1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000729942833 574832224 /nfs/dbraw/zinc/83/22/24/574832224.db2.gz UGAGRSBNUUMRDC-UHFFFAOYSA-N 1 3 298.500 1.443 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000764291948 575897947 /nfs/dbraw/zinc/89/79/47/575897947.db2.gz ZGBOLNXSQOBZND-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000764425462 575906630 /nfs/dbraw/zinc/90/66/30/575906630.db2.gz IOIBIDHVLBPBFF-UHFFFAOYSA-N 1 3 275.396 1.352 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972336547 613283520 /nfs/dbraw/zinc/28/35/20/613283520.db2.gz YCNJRGXZKYVOAJ-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972336547 613283522 /nfs/dbraw/zinc/28/35/22/613283522.db2.gz YCNJRGXZKYVOAJ-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980484342 613290486 /nfs/dbraw/zinc/29/04/86/613290486.db2.gz YLKWHWOKTVLSEA-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980484342 613290487 /nfs/dbraw/zinc/29/04/87/613290487.db2.gz YLKWHWOKTVLSEA-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC000960180601 613565291 /nfs/dbraw/zinc/56/52/91/613565291.db2.gz IHGNJQVKHWCWPP-QXSJWSMHSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1CCC ZINC000960180601 613565292 /nfs/dbraw/zinc/56/52/92/613565292.db2.gz IHGNJQVKHWCWPP-QXSJWSMHSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972176037 613633747 /nfs/dbraw/zinc/63/37/47/613633747.db2.gz ISHUXMBEEYOXDL-KKUMJFAQSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000972176037 613633748 /nfs/dbraw/zinc/63/37/48/613633748.db2.gz ISHUXMBEEYOXDL-KKUMJFAQSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000981666418 613680811 /nfs/dbraw/zinc/68/08/11/613680811.db2.gz RUECSOICLFWMFK-CQSZACIVSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000981666418 613680812 /nfs/dbraw/zinc/68/08/12/613680812.db2.gz RUECSOICLFWMFK-CQSZACIVSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473239 613806889 /nfs/dbraw/zinc/80/68/89/613806889.db2.gz WMUAQQYHPMKBOC-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473239 613806892 /nfs/dbraw/zinc/80/68/92/613806892.db2.gz WMUAQQYHPMKBOC-UONOGXRCSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891521562 617458594 /nfs/dbraw/zinc/45/85/94/617458594.db2.gz ZDJMETQMWNOCBW-BETUJISGSA-N 1 3 280.416 1.063 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769095 1162023138 /nfs/dbraw/zinc/02/31/38/1162023138.db2.gz LHQIJEISQRGMNL-GUTXKFCHSA-N 1 3 288.395 1.497 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133275605 1163622656 /nfs/dbraw/zinc/62/26/56/1163622656.db2.gz VEQJYTBOGGALHJ-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846180 1163932653 /nfs/dbraw/zinc/93/26/53/1163932653.db2.gz VLJKSHYBZVDXJZ-UONOGXRCSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114409120 1164889676 /nfs/dbraw/zinc/88/96/76/1164889676.db2.gz GUXLDHMCHDKIPA-FXUDXRNXSA-N 1 3 291.439 1.339 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114409120 1164889685 /nfs/dbraw/zinc/88/96/85/1164889685.db2.gz GUXLDHMCHDKIPA-FXUDXRNXSA-N 1 3 291.439 1.339 20 30 CDEDHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H](O)CC2(C#N)CC2)C1 ZINC001576117420 1171335097 /nfs/dbraw/zinc/33/50/97/1171335097.db2.gz OGYQWJOKOAQRCT-YNEHKIRRSA-N 1 3 251.374 1.100 20 30 CDEDHO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518462 1184875105 /nfs/dbraw/zinc/87/51/05/1184875105.db2.gz UVPIJTCCNRQCSK-AWEZNQCLSA-N 1 3 290.411 1.699 20 30 CDEDHO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001752518462 1184875110 /nfs/dbraw/zinc/87/51/10/1184875110.db2.gz UVPIJTCCNRQCSK-AWEZNQCLSA-N 1 3 290.411 1.699 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001753410475 1185191982 /nfs/dbraw/zinc/19/19/82/1185191982.db2.gz YEGLHJQTVOBBSC-HNNXBMFYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001755498890 1185972939 /nfs/dbraw/zinc/97/29/39/1185972939.db2.gz PRMLEDCRYRSHHJ-LSDHHAIUSA-N 1 3 281.444 1.920 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001755712921 1186044461 /nfs/dbraw/zinc/04/44/61/1186044461.db2.gz RVJAFPAFHKDBTO-HRCADAONSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706354 1164169272 /nfs/dbraw/zinc/16/92/72/1164169272.db2.gz SUCPSIMQCBAEGT-ZIAGYGMSSA-N 1 3 267.417 1.224 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032731827 731123979 /nfs/dbraw/zinc/12/39/79/731123979.db2.gz QVXRNJMFMVYLSC-JYJNAYRXSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032731827 731123982 /nfs/dbraw/zinc/12/39/82/731123982.db2.gz QVXRNJMFMVYLSC-JYJNAYRXSA-N 1 3 291.439 1.580 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000261993872 731252923 /nfs/dbraw/zinc/25/29/23/731252923.db2.gz NDTNVBDGYOMQGZ-OLZOCXBDSA-N 1 3 254.422 1.667 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014454182 731352880 /nfs/dbraw/zinc/35/28/80/731352880.db2.gz HEEPZKHMHPWPTE-HUUCEWRRSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487559 731499382 /nfs/dbraw/zinc/49/93/82/731499382.db2.gz OOHRGDAKNSXRQH-CQSZACIVSA-N 1 3 277.412 1.239 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857845 731581782 /nfs/dbraw/zinc/58/17/82/731581782.db2.gz OHLGFYCYFHAHOV-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884213946 731651864 /nfs/dbraw/zinc/65/18/64/731651864.db2.gz PZFVOTBJTOWWDU-AWEZNQCLSA-N 1 3 267.417 1.387 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049058388 731682261 /nfs/dbraw/zinc/68/22/61/731682261.db2.gz XSWCHTIWPYTATF-KFWWJZLASA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049058388 731682265 /nfs/dbraw/zinc/68/22/65/731682265.db2.gz XSWCHTIWPYTATF-KFWWJZLASA-N 1 3 277.412 1.047 20 30 CDEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](O)CN1CCCC1 ZINC000924753305 731763289 /nfs/dbraw/zinc/76/32/89/731763289.db2.gz CWPIOHYYISPUMA-OLZOCXBDSA-N 1 3 253.390 1.361 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036225465 731770864 /nfs/dbraw/zinc/77/08/64/731770864.db2.gz OTXMFPDKEHCRLF-CVEARBPZSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526022 732112724 /nfs/dbraw/zinc/11/27/24/732112724.db2.gz RUDPOAMUFZRHOF-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526022 732112732 /nfs/dbraw/zinc/11/27/32/732112732.db2.gz RUDPOAMUFZRHOF-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431776 732167141 /nfs/dbraw/zinc/16/71/41/732167141.db2.gz OFWVXHYFZLKCGA-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CCN1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046451279 732748627 /nfs/dbraw/zinc/74/86/27/732748627.db2.gz ZOFZOEJYNISZAK-QGZVFWFLSA-N 1 3 296.374 1.552 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986352528 732795454 /nfs/dbraw/zinc/79/54/54/732795454.db2.gz HJJGZLFVKONQBD-ZFWWWQNUSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001001469790 732892808 /nfs/dbraw/zinc/89/28/08/732892808.db2.gz ZLKDUKKNXAJOBC-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033079913 733016270 /nfs/dbraw/zinc/01/62/70/733016270.db2.gz ADQIMHBYDBUIAS-HOTGVXAUSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024759836 733047786 /nfs/dbraw/zinc/04/77/86/733047786.db2.gz LGPJONJMVYBFDE-OAHLLOKOSA-N 1 3 291.439 1.629 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001026283890 733056261 /nfs/dbraw/zinc/05/62/61/733056261.db2.gz MXDKKUDCJGXFJF-SOUVJXGZSA-N 1 3 291.439 1.483 20 30 CDEDHO N#Cc1csc(CNCC[C@@H]2CCC[NH2+]CC2)n1 ZINC001580081749 1167709548 /nfs/dbraw/zinc/70/95/48/1167709548.db2.gz QTUVIUGAEMSVDU-LLVKDONJSA-N 1 3 264.398 1.884 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC001121919795 913238509 /nfs/dbraw/zinc/23/85/09/913238509.db2.gz GEZDHPLBRKCQKX-ZDUSSCGKSA-N 1 3 267.417 1.517 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020590175 894374924 /nfs/dbraw/zinc/37/49/24/894374924.db2.gz OHLCXXSUZABJJP-XJKCOSOUSA-N 1 3 297.418 1.622 20 30 CDEDHO C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282486945 894457501 /nfs/dbraw/zinc/45/75/01/894457501.db2.gz RUKAPZOEYZNPNJ-QWHCGFSZSA-N 1 3 255.406 1.195 20 30 CDEDHO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001282486945 894457505 /nfs/dbraw/zinc/45/75/05/894457505.db2.gz RUKAPZOEYZNPNJ-QWHCGFSZSA-N 1 3 255.406 1.195 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104346464 895877597 /nfs/dbraw/zinc/87/75/97/895877597.db2.gz CGVNQGZWNHLKMG-RBSFLKMASA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666054 914115549 /nfs/dbraw/zinc/11/55/49/914115549.db2.gz GFAQFHGJOUFNGK-RRFJBIMHSA-N 1 3 279.428 1.198 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973384 897230333 /nfs/dbraw/zinc/23/03/33/897230333.db2.gz IVCAFCWEVZVGGP-UPJWGTAASA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022973384 897230343 /nfs/dbraw/zinc/23/03/43/897230343.db2.gz IVCAFCWEVZVGGP-UPJWGTAASA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901266 901866431 /nfs/dbraw/zinc/86/64/31/901866431.db2.gz RUSHRSKAJBYLQB-UHFFFAOYSA-N 1 3 290.411 1.713 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845914 904254565 /nfs/dbraw/zinc/25/45/65/904254565.db2.gz TUQOVLQYDCRRBJ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845914 904254578 /nfs/dbraw/zinc/25/45/78/904254578.db2.gz TUQOVLQYDCRRBJ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845914 904254594 /nfs/dbraw/zinc/25/45/94/904254594.db2.gz TUQOVLQYDCRRBJ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845914 904254607 /nfs/dbraw/zinc/25/46/07/904254607.db2.gz TUQOVLQYDCRRBJ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178755021 915616219 /nfs/dbraw/zinc/61/62/19/915616219.db2.gz JEBXTRVRCJXRLN-INIZCTEOSA-N 1 3 295.471 1.862 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996673253 918358948 /nfs/dbraw/zinc/35/89/48/918358948.db2.gz UQHAWULHMYMJLA-UHFFFAOYSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650845 919691043 /nfs/dbraw/zinc/69/10/43/919691043.db2.gz PASKUBDMHOFKLE-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073126075 936717501 /nfs/dbraw/zinc/71/75/01/936717501.db2.gz VAOMGJKJYGHZNX-CQSZACIVSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073126075 936717503 /nfs/dbraw/zinc/71/75/03/936717503.db2.gz VAOMGJKJYGHZNX-CQSZACIVSA-N 1 3 277.412 1.049 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407121 923084300 /nfs/dbraw/zinc/08/43/00/923084300.db2.gz RQCWJIJEJDLXFS-HNNXBMFYSA-N 1 3 293.455 1.520 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192407121 923084314 /nfs/dbraw/zinc/08/43/14/923084314.db2.gz RQCWJIJEJDLXFS-HNNXBMFYSA-N 1 3 293.455 1.520 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027735 923419146 /nfs/dbraw/zinc/41/91/46/923419146.db2.gz RSHBUEKRSVQHMK-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027735 923419151 /nfs/dbraw/zinc/41/91/51/923419151.db2.gz RSHBUEKRSVQHMK-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001005877547 923475711 /nfs/dbraw/zinc/47/57/11/923475711.db2.gz PQCUCDNUIFUDLY-GJZGRUSLSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005877547 923475716 /nfs/dbraw/zinc/47/57/16/923475716.db2.gz PQCUCDNUIFUDLY-GJZGRUSLSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084429010 925247556 /nfs/dbraw/zinc/24/75/56/925247556.db2.gz GSFZFNYZVKXWAJ-OAGGEKHMSA-N 1 3 293.455 1.681 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084429010 925247561 /nfs/dbraw/zinc/24/75/61/925247561.db2.gz GSFZFNYZVKXWAJ-OAGGEKHMSA-N 1 3 293.455 1.681 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775904 925420311 /nfs/dbraw/zinc/42/03/11/925420311.db2.gz YSENJZOIZMIUCH-ARFHVFGLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775904 925420316 /nfs/dbraw/zinc/42/03/16/925420316.db2.gz YSENJZOIZMIUCH-ARFHVFGLSA-N 1 3 291.439 1.437 20 30 CDEDHO CC#CCNCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152485231 925489348 /nfs/dbraw/zinc/48/93/48/925489348.db2.gz CFWHGMBJHYKYOZ-HNNXBMFYSA-N 1 3 279.428 1.226 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597834 926198556 /nfs/dbraw/zinc/19/85/56/926198556.db2.gz GYKIGEWKLDXZBQ-HZPDHXFCSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202164424 926485227 /nfs/dbraw/zinc/48/52/27/926485227.db2.gz MOBAVPFFSCDWPM-HNNXBMFYSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304992 937346382 /nfs/dbraw/zinc/34/63/82/937346382.db2.gz YNYVVEMSYWAJCE-FOLVSLTJSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304992 937346385 /nfs/dbraw/zinc/34/63/85/937346385.db2.gz YNYVVEMSYWAJCE-FOLVSLTJSA-N 1 3 279.428 1.339 20 30 CDEDHO C#CCC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152394019 937358999 /nfs/dbraw/zinc/35/89/99/937358999.db2.gz WSKMMDZFLYSCAN-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134767373 929890468 /nfs/dbraw/zinc/89/04/68/929890468.db2.gz XBTDXELEYNONBB-OAHLLOKOSA-N 1 3 281.444 1.921 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773732 929893498 /nfs/dbraw/zinc/89/34/98/929893498.db2.gz RAXRHYURNQMRDM-OLZOCXBDSA-N 1 3 267.417 1.223 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481351 930218575 /nfs/dbraw/zinc/21/85/75/930218575.db2.gz UAUBLWLXNNBKES-GJZGRUSLSA-N 1 3 295.471 1.861 20 30 CDEDHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000817915527 930629705 /nfs/dbraw/zinc/62/97/05/930629705.db2.gz NTGZETZLXKYWRC-GXTWGEPZSA-N 1 3 259.353 1.784 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426649 937931272 /nfs/dbraw/zinc/93/12/72/937931272.db2.gz LGAFKUQAVMLDFM-SRVKXCTJSA-N 1 3 251.374 1.056 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004795 939590080 /nfs/dbraw/zinc/59/00/80/939590080.db2.gz YGHBMUJWCVJCIY-GFCCVEGCSA-N 1 3 275.824 1.421 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793677 939705152 /nfs/dbraw/zinc/70/51/52/939705152.db2.gz SSNWIXXDMJXIRV-CABCVRRESA-N 1 3 291.439 1.367 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211257002 940742654 /nfs/dbraw/zinc/74/26/54/940742654.db2.gz OAFMBFCYGQLYIG-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492097 941601964 /nfs/dbraw/zinc/60/19/64/941601964.db2.gz OESOZEXLLBSZLP-GJZGRUSLSA-N 1 3 251.418 1.759 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN(CC)CC)CC1 ZINC001224911316 941804529 /nfs/dbraw/zinc/80/45/29/941804529.db2.gz LHEGIWIINYQCRB-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226774459 942066528 /nfs/dbraw/zinc/06/65/28/942066528.db2.gz MVQWRIUSSMAZAL-KFWWJZLASA-N 1 3 279.428 1.530 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230280220 942600454 /nfs/dbraw/zinc/60/04/54/942600454.db2.gz QSOPKPUEHDLTLX-ZIAGYGMSSA-N 1 3 267.417 1.530 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001263158736 943768087 /nfs/dbraw/zinc/76/80/87/943768087.db2.gz JOWFFAIYZCPDHS-FRRDWIJNSA-N 1 3 253.390 1.256 20 30 CDEDHO C[C@@H](CC#N)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681174 948393680 /nfs/dbraw/zinc/39/36/80/948393680.db2.gz MUASSQMBZPAHEC-HSBZDZAISA-N 1 3 251.374 1.522 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001253576800 951962750 /nfs/dbraw/zinc/96/27/50/951962750.db2.gz HUMAHFQQKOTQJU-KSZLIROESA-N 1 3 286.419 1.906 20 30 CDEDHO C=C[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001253576800 951962759 /nfs/dbraw/zinc/96/27/59/951962759.db2.gz HUMAHFQQKOTQJU-KSZLIROESA-N 1 3 286.419 1.906 20 30 CDEDHO C#CC[C@H](CCOC)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001335330187 959719099 /nfs/dbraw/zinc/71/90/99/959719099.db2.gz RFAKCOMJMYBLSR-QLFBSQMISA-N 1 3 250.386 1.631 20 30 CDEDHO C#CC[C@H](CCOC)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001335330187 959719116 /nfs/dbraw/zinc/71/91/16/959719116.db2.gz RFAKCOMJMYBLSR-QLFBSQMISA-N 1 3 250.386 1.631 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001340185658 962801196 /nfs/dbraw/zinc/80/11/96/962801196.db2.gz VYHKHWHJYAWGJV-CHWSQXEVSA-N 1 3 253.390 1.126 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC001353507301 968027140 /nfs/dbraw/zinc/02/71/40/968027140.db2.gz BAYOSZXUAMSBAV-OLZOCXBDSA-N 1 3 255.406 1.517 20 30 CDEDHO C#CC[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100335148 968046400 /nfs/dbraw/zinc/04/64/00/968046400.db2.gz MDWQGYMWJLOVSJ-UHFFFAOYSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001502135666 974702579 /nfs/dbraw/zinc/70/25/79/974702579.db2.gz OTRVSALTVLECBC-LSDHHAIUSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001502390413 974732630 /nfs/dbraw/zinc/73/26/30/974732630.db2.gz CTXLQNFYXNRHDP-AWEZNQCLSA-N 1 3 269.433 1.683 20 30 CDEDHO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](CC)N(C)C ZINC001502390413 974732635 /nfs/dbraw/zinc/73/26/35/974732635.db2.gz CTXLQNFYXNRHDP-AWEZNQCLSA-N 1 3 269.433 1.683 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410296 1163278061 /nfs/dbraw/zinc/27/80/61/1163278061.db2.gz LHJDVCDISJJKNR-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410296 1163278068 /nfs/dbraw/zinc/27/80/68/1163278068.db2.gz LHJDVCDISJJKNR-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO N#C[C@@H]1CC[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000442765387 362088605 /nfs/dbraw/zinc/08/86/05/362088605.db2.gz JKUUMHCNPJDBRB-IJEWVQPXSA-N 1 3 277.412 1.769 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595935172 343192476 /nfs/dbraw/zinc/19/24/76/343192476.db2.gz AQKFQAUCBQZPLT-CABCVRRESA-N 1 3 292.427 1.246 20 30 CDEDHO N#Cc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596649729 343370822 /nfs/dbraw/zinc/37/08/22/343370822.db2.gz GIEOPUGNEPLTIH-KZNAEPCWSA-N 1 3 299.418 1.847 20 30 CDEDHO C[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719412 343883287 /nfs/dbraw/zinc/88/32/87/343883287.db2.gz HXPHIBTVEFWYNK-KBPBESRZSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CN1CCCC1 ZINC000598719412 343883289 /nfs/dbraw/zinc/88/32/89/343883289.db2.gz HXPHIBTVEFWYNK-KBPBESRZSA-N 1 3 267.417 1.609 20 30 CDEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000598701690 343889824 /nfs/dbraw/zinc/88/98/24/343889824.db2.gz NIPYDHLDKXTBDV-CHWSQXEVSA-N 1 3 253.390 1.171 20 30 CDEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000598701690 343889826 /nfs/dbraw/zinc/88/98/26/343889826.db2.gz NIPYDHLDKXTBDV-CHWSQXEVSA-N 1 3 253.390 1.171 20 30 CDEDHO C[C@@H](CCC#N)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000602473012 344430054 /nfs/dbraw/zinc/43/00/54/344430054.db2.gz GUPZQRUAHCKHKN-JKSUJKDBSA-N 1 3 278.444 1.638 20 30 CDEDHO C[C@@H](CCC#N)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000602473012 344430055 /nfs/dbraw/zinc/43/00/55/344430055.db2.gz GUPZQRUAHCKHKN-JKSUJKDBSA-N 1 3 278.444 1.638 20 30 CDEDHO CN(C)CCN1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174262974 348487067 /nfs/dbraw/zinc/48/70/67/348487067.db2.gz GOAZAUJVNDBVPX-UHFFFAOYSA-N 1 3 280.460 1.932 20 30 CDEDHO C[C@@H](CCNC(=[NH2+])N(C)C)N(C)Cc1ccccc1 ZINC000083052653 358201295 /nfs/dbraw/zinc/20/12/95/358201295.db2.gz IYXCXJYCXJJZID-ZDUSSCGKSA-N 1 3 262.401 1.773 20 30 CDEDHO C=CCOCCC[NH+]1CCC(N(C)C[C@@H](C)O)CC1 ZINC000348052778 359804547 /nfs/dbraw/zinc/80/45/47/359804547.db2.gz TVJPDNMGRZRXGE-CQSZACIVSA-N 1 3 270.417 1.356 20 30 CDEDHO C[NH+](C)C1CCN(CCNCc2ccc(C#N)s2)CC1 ZINC000176989090 189019439 /nfs/dbraw/zinc/01/94/39/189019439.db2.gz OJMPYNSLTSQKCO-UHFFFAOYSA-N 1 3 292.452 1.735 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331218 376328125 /nfs/dbraw/zinc/32/81/25/376328125.db2.gz DJYDCTOQWBMQIM-HUUCEWRRSA-N 1 3 277.412 1.237 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248831076 377331129 /nfs/dbraw/zinc/33/11/29/377331129.db2.gz MMEFEGZBEXABCN-CVEARBPZSA-N 1 3 278.444 1.686 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534272 377875304 /nfs/dbraw/zinc/87/53/04/377875304.db2.gz VVZWDBTZFKKDMN-UONOGXRCSA-N 1 3 294.443 1.454 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662449345 413030421 /nfs/dbraw/zinc/03/04/21/413030421.db2.gz YSDSQEMRUUBVKH-AWEZNQCLSA-N 1 3 281.444 1.764 20 30 CDEDHO C=CCOc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647493473 390969780 /nfs/dbraw/zinc/96/97/80/390969780.db2.gz VDFCQQRITVWLKR-UHFFFAOYSA-N 1 3 289.423 1.588 20 30 CDEDHO C=C(C)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336153928 391254087 /nfs/dbraw/zinc/25/40/87/391254087.db2.gz PXNPMAQWSQVXQG-AWEZNQCLSA-N 1 3 251.418 1.663 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345807523 391311565 /nfs/dbraw/zinc/31/15/65/391311565.db2.gz QFMIXUOYWFLMJK-GDBMZVCRSA-N 1 3 285.391 1.827 20 30 CDEDHO CC(C#N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345807523 391311568 /nfs/dbraw/zinc/31/15/68/391311568.db2.gz QFMIXUOYWFLMJK-GDBMZVCRSA-N 1 3 285.391 1.827 20 30 CDEDHO C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261952057 391739724 /nfs/dbraw/zinc/73/97/24/391739724.db2.gz HRJFGEKUKOSHDQ-BXUZGUMPSA-N 1 3 292.431 1.112 20 30 CDEDHO CCN1CCN(CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442724364 391747569 /nfs/dbraw/zinc/74/75/69/391747569.db2.gz ZHCQOTVYWMMBRQ-JKSUJKDBSA-N 1 3 278.444 1.686 20 30 CDEDHO C[C@H](NCCOCC[NH+](C)C)c1cccc(C#N)c1 ZINC000219305772 140166890 /nfs/dbraw/zinc/16/68/90/140166890.db2.gz FOZHHAYXIOPAIA-ZDUSSCGKSA-N 1 3 261.369 1.787 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(F)c1 ZINC000264122973 262876051 /nfs/dbraw/zinc/87/60/51/262876051.db2.gz RKMCVGRQWVPCGP-OAHLLOKOSA-N 1 3 292.402 1.757 20 30 CDEDHO CCNC(NCc1cccc(CN(C)C)c1)=[NH+]CC ZINC000294989214 263170478 /nfs/dbraw/zinc/17/04/78/263170478.db2.gz UBMMTNVHMYEEKF-UHFFFAOYSA-N 1 3 262.401 1.823 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417521527 264409992 /nfs/dbraw/zinc/40/99/92/264409992.db2.gz FMEYGLCINLWATN-DZGCQCFKSA-N 1 3 294.443 1.454 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCSC1 ZINC000262328325 330006406 /nfs/dbraw/zinc/00/64/06/330006406.db2.gz URDHTDNLSQCNDJ-OLZOCXBDSA-N 1 3 284.473 1.518 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCCC1 ZINC000262552522 330021047 /nfs/dbraw/zinc/02/10/47/330021047.db2.gz ZEYKHJCZKOHMBF-ZDUSSCGKSA-N 1 3 266.433 1.955 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](OC)C1(C)C ZINC000262774327 330030521 /nfs/dbraw/zinc/03/05/21/330030521.db2.gz HYJYHEUCFZFQAQ-AGIUHOORSA-N 1 3 282.432 1.189 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272748182 330093023 /nfs/dbraw/zinc/09/30/23/330093023.db2.gz DRNZOSFBXZEHGQ-CQSZACIVSA-N 1 3 289.423 1.098 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000422861799 330158214 /nfs/dbraw/zinc/15/82/14/330158214.db2.gz OZRPNIFITHOFSS-LSDHHAIUSA-N 1 3 251.418 1.886 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423382186 330199139 /nfs/dbraw/zinc/19/91/39/330199139.db2.gz OCCNYUQQCXLWHT-JSGCOSHPSA-N 1 3 265.401 1.141 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](N)CCCC#N ZINC000424160794 330306327 /nfs/dbraw/zinc/30/63/27/330306327.db2.gz UVDLPVACLUDVNA-LSDHHAIUSA-N 1 3 294.443 1.778 20 30 CDEDHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](N)CCCC#N ZINC000424160794 330306328 /nfs/dbraw/zinc/30/63/28/330306328.db2.gz UVDLPVACLUDVNA-LSDHHAIUSA-N 1 3 294.443 1.778 20 30 CDEDHO C=CC[C@@H](CO)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459460171 331282571 /nfs/dbraw/zinc/28/25/71/331282571.db2.gz IWCSRVWFPHLFCQ-CQSZACIVSA-N 1 3 275.396 1.825 20 30 CDEDHO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2CC)C1 ZINC000970928796 612996708 /nfs/dbraw/zinc/99/67/08/612996708.db2.gz MGPSNLGJLYEFMH-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018640 613000146 /nfs/dbraw/zinc/00/01/46/613000146.db2.gz GZOWGBCUVDNMDP-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC000982018640 613000148 /nfs/dbraw/zinc/00/01/48/613000148.db2.gz GZOWGBCUVDNMDP-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743294 613177916 /nfs/dbraw/zinc/17/79/16/613177916.db2.gz QGPHKKUXZAIUHU-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977454147 613337928 /nfs/dbraw/zinc/33/79/28/613337928.db2.gz OGZIWXQFBIOIRN-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977454147 613337929 /nfs/dbraw/zinc/33/79/29/613337929.db2.gz OGZIWXQFBIOIRN-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862301 613610257 /nfs/dbraw/zinc/61/02/57/613610257.db2.gz YKMHSAFCYUABPP-CQSZACIVSA-N 1 3 277.412 1.334 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971554096 613615818 /nfs/dbraw/zinc/61/58/18/613615818.db2.gz YMZMTWHXTGKHQT-HUUCEWRRSA-N 1 3 277.412 1.047 20 30 CDEDHO C[NH+]1CCC(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000891580518 617490748 /nfs/dbraw/zinc/49/07/48/617490748.db2.gz KWQFWSTYZJZDLS-UHFFFAOYSA-N 1 3 299.422 1.417 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000925892472 617986276 /nfs/dbraw/zinc/98/62/76/617986276.db2.gz BMOVOGPWSCSYMZ-OAGGEKHMSA-N 1 3 299.422 1.875 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000911864940 629577223 /nfs/dbraw/zinc/57/72/23/629577223.db2.gz WEJRUVPRMAEPGY-CQSZACIVSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001753566912 1159852199 /nfs/dbraw/zinc/85/21/99/1159852199.db2.gz YCYGSARLSXICCO-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[C@@H](N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC001574962351 1171064250 /nfs/dbraw/zinc/06/42/50/1171064250.db2.gz JYFIREYEKVTHRC-OAHLLOKOSA-N 1 3 279.428 1.450 20 30 CDEDHO CC#CC[C@@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC001574962351 1171064255 /nfs/dbraw/zinc/06/42/55/1171064255.db2.gz JYFIREYEKVTHRC-OAHLLOKOSA-N 1 3 279.428 1.450 20 30 CDEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001752775769 1184909886 /nfs/dbraw/zinc/90/98/86/1184909886.db2.gz VQCHOYJWPBJLNB-NMWPEEMBSA-N 1 3 277.412 1.119 20 30 CDEDHO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1CCC ZINC001753735705 1185323125 /nfs/dbraw/zinc/32/31/25/1185323125.db2.gz BMDWTJIKYJWCME-HOTGVXAUSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753874678 1185377151 /nfs/dbraw/zinc/37/71/51/1185377151.db2.gz AKHATCXNMVMRIT-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753874678 1185377154 /nfs/dbraw/zinc/37/71/54/1185377154.db2.gz AKHATCXNMVMRIT-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754570437 1185668288 /nfs/dbraw/zinc/66/82/88/1185668288.db2.gz WROQHZLHMNUAPZ-KRWDZBQOSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001754570437 1185668289 /nfs/dbraw/zinc/66/82/89/1185668289.db2.gz WROQHZLHMNUAPZ-KRWDZBQOSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001754794830 1185733969 /nfs/dbraw/zinc/73/39/69/1185733969.db2.gz HXOOSFHCOVDXHC-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN(C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001755197259 1185850747 /nfs/dbraw/zinc/85/07/47/1185850747.db2.gz HBTFOUVBFUDHCD-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C#CCC[N@@H+](C)CCN(C(=O)[C@H](CC)N(C)C)C(C)C ZINC001755812514 1186076510 /nfs/dbraw/zinc/07/65/10/1186076510.db2.gz QYOZRNNLAORFKT-HNNXBMFYSA-N 1 3 281.444 1.519 20 30 CDEDHO C#CCC[N@H+](C)CCN(C(=O)[C@H](CC)N(C)C)C(C)C ZINC001755812514 1186076514 /nfs/dbraw/zinc/07/65/14/1186076514.db2.gz QYOZRNNLAORFKT-HNNXBMFYSA-N 1 3 281.444 1.519 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133820101 1163909168 /nfs/dbraw/zinc/90/91/68/1163909168.db2.gz YKRSGWRCOLZXDJ-UONOGXRCSA-N 1 3 267.417 1.531 20 30 CDEDHO C[N@H+](CCCN1CCCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886186174 735382980 /nfs/dbraw/zinc/38/29/80/735382980.db2.gz RANZBPYUQOGEBO-HNNXBMFYSA-N 1 3 279.428 1.849 20 30 CDEDHO C[N@@H+](CCCN1CCCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886186174 735382982 /nfs/dbraw/zinc/38/29/82/735382982.db2.gz RANZBPYUQOGEBO-HNNXBMFYSA-N 1 3 279.428 1.849 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131668 735413605 /nfs/dbraw/zinc/41/36/05/735413605.db2.gz MIUMUGJMVGZMQJ-IYBDPMFKSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131668 735413609 /nfs/dbraw/zinc/41/36/09/735413609.db2.gz MIUMUGJMVGZMQJ-IYBDPMFKSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996299746 735451140 /nfs/dbraw/zinc/45/11/40/735451140.db2.gz DNFYNPYRGZVXEU-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999364879 735737697 /nfs/dbraw/zinc/73/76/97/735737697.db2.gz NYGIVMRINJLYND-CYBMUJFWSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC000995945184 735808566 /nfs/dbraw/zinc/80/85/66/735808566.db2.gz DPNHZZXNIYKKRL-OLZOCXBDSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993762657 735818059 /nfs/dbraw/zinc/81/80/59/735818059.db2.gz QUKQPMUSLGXDNG-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046597218 733255860 /nfs/dbraw/zinc/25/58/60/733255860.db2.gz GIELEPBAMHQGTC-OAHLLOKOSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001000186572 733325161 /nfs/dbraw/zinc/32/51/61/733325161.db2.gz UQDGJPXPLJSQAV-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO CCOCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303897919 733337411 /nfs/dbraw/zinc/33/74/11/733337411.db2.gz QVFWQSBFUSCVNO-CYBMUJFWSA-N 1 3 270.421 1.192 20 30 CDEDHO C[C@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000262002780 733456124 /nfs/dbraw/zinc/45/61/24/733456124.db2.gz QJCZQZXGNAKSMW-ZDUSSCGKSA-N 1 3 298.500 1.860 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)CC1 ZINC000798142502 733521597 /nfs/dbraw/zinc/52/15/97/733521597.db2.gz YYHSPEHYRPJAMZ-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)CC1 ZINC000798142502 733521601 /nfs/dbraw/zinc/52/16/01/733521601.db2.gz YYHSPEHYRPJAMZ-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001022165659 733553034 /nfs/dbraw/zinc/55/30/34/733553034.db2.gz BTPDQZITEJBCEU-HZSPNIEDSA-N 1 3 299.846 1.850 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001022165659 733553037 /nfs/dbraw/zinc/55/30/37/733553037.db2.gz BTPDQZITEJBCEU-HZSPNIEDSA-N 1 3 299.846 1.850 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038872015 733756954 /nfs/dbraw/zinc/75/69/54/733756954.db2.gz KJEPIVVWUGUUKM-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1ccccc1C#N ZINC000923298284 733896394 /nfs/dbraw/zinc/89/63/94/733896394.db2.gz ACNKWHBHUYBOJF-GDBMZVCRSA-N 1 3 291.395 1.261 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032406385 733906968 /nfs/dbraw/zinc/90/69/68/733906968.db2.gz YIDVCUJMBJZMMJ-JYJNAYRXSA-N 1 3 289.423 1.189 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014919337 734042844 /nfs/dbraw/zinc/04/28/44/734042844.db2.gz KPCMUXHKOWNMFJ-HNNXBMFYSA-N 1 3 289.423 1.076 20 30 CDEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166547 734133696 /nfs/dbraw/zinc/13/36/96/734133696.db2.gz PQKXIGRERCXJGY-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166547 734133701 /nfs/dbraw/zinc/13/37/01/734133701.db2.gz PQKXIGRERCXJGY-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758203 734135410 /nfs/dbraw/zinc/13/54/10/734135410.db2.gz IDSWOCBZLTUPNJ-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003935 734619531 /nfs/dbraw/zinc/61/95/31/734619531.db2.gz UXTGWDWSNBQZAO-AWEZNQCLSA-N 1 3 282.347 1.162 20 30 CDEDHO C#C[C@H](C)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849020363 734622416 /nfs/dbraw/zinc/62/24/16/734622416.db2.gz ZZMFTAPCPFYKBL-AWEZNQCLSA-N 1 3 284.407 1.787 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001021094140 734918979 /nfs/dbraw/zinc/91/89/79/734918979.db2.gz LUEUSTGOFVMIQF-RBSFLKMASA-N 1 3 279.428 1.674 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999402655 734947472 /nfs/dbraw/zinc/94/74/72/734947472.db2.gz IIHKYAKCAPJELO-WLYUNCDWSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214205 734986550 /nfs/dbraw/zinc/98/65/50/734986550.db2.gz IWLFPNCPPXUHMG-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214205 734986552 /nfs/dbraw/zinc/98/65/52/734986552.db2.gz IWLFPNCPPXUHMG-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074562788 735183571 /nfs/dbraw/zinc/18/35/71/735183571.db2.gz HTEOWHGQRSTUKT-MELADBBJSA-N 1 3 265.401 1.236 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000925892470 735210073 /nfs/dbraw/zinc/21/00/73/735210073.db2.gz BMOVOGPWSCSYMZ-ARFHVFGLSA-N 1 3 299.422 1.875 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035794559 736341637 /nfs/dbraw/zinc/34/16/37/736341637.db2.gz FWVONVQDOVVNKP-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035794559 736341643 /nfs/dbraw/zinc/34/16/43/736341643.db2.gz FWVONVQDOVVNKP-OAHLLOKOSA-N 1 3 291.439 1.439 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175115090 913450509 /nfs/dbraw/zinc/45/05/09/913450509.db2.gz LBCZJWXHUPPTSD-HZPDHXFCSA-N 1 3 295.471 1.861 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255607 913733329 /nfs/dbraw/zinc/73/33/29/913733329.db2.gz AGPSDTVBVLYLMH-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167051344 894007633 /nfs/dbraw/zinc/00/76/33/894007633.db2.gz HFMWEMSXRDDVHO-CQSZACIVSA-N 1 3 281.444 1.635 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901351 901875601 /nfs/dbraw/zinc/87/56/01/901875601.db2.gz SZSXYXLRUAJWAG-UHFFFAOYSA-N 1 3 288.395 1.160 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN(C)CCC)CC1 ZINC001225252521 902538646 /nfs/dbraw/zinc/53/86/46/902538646.db2.gz QCGOORHYGKMBMF-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609364 915905801 /nfs/dbraw/zinc/90/58/01/915905801.db2.gz PXPDOIAFLNEDEX-AWEZNQCLSA-N 1 3 267.417 1.226 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185091302 919398588 /nfs/dbraw/zinc/39/85/88/919398588.db2.gz TVAYLVGMJGVFEJ-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185091302 919398601 /nfs/dbraw/zinc/39/86/01/919398601.db2.gz TVAYLVGMJGVFEJ-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001187018857 920295937 /nfs/dbraw/zinc/29/59/37/920295937.db2.gz ZPCPTBMWDXRASB-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226369 924123940 /nfs/dbraw/zinc/12/39/40/924123940.db2.gz AVWXFBOPANWAFS-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295470 924165409 /nfs/dbraw/zinc/16/54/09/924165409.db2.gz QBABRQORFFGSGY-HNNXBMFYSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295470 924165421 /nfs/dbraw/zinc/16/54/21/924165421.db2.gz QBABRQORFFGSGY-HNNXBMFYSA-N 1 3 297.443 1.062 20 30 CDEDHO C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559120 924957777 /nfs/dbraw/zinc/95/77/77/924957777.db2.gz UCWLGCAAAXXUCJ-HONMWMINSA-N 1 3 299.846 1.516 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101397848 936971058 /nfs/dbraw/zinc/97/10/58/936971058.db2.gz KHAZQSQVLAEVNM-ZBFHGGJFSA-N 1 3 279.428 1.295 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101397848 936971059 /nfs/dbraw/zinc/97/10/59/936971059.db2.gz KHAZQSQVLAEVNM-ZBFHGGJFSA-N 1 3 279.428 1.295 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369903 937054704 /nfs/dbraw/zinc/05/47/04/937054704.db2.gz JZILUFKKTJLJHD-RBSFLKMASA-N 1 3 279.428 1.198 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369903 937054707 /nfs/dbraw/zinc/05/47/07/937054707.db2.gz JZILUFKKTJLJHD-RBSFLKMASA-N 1 3 279.428 1.198 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052635 926193704 /nfs/dbraw/zinc/19/37/04/926193704.db2.gz GWWHSONKRRRBTH-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001490270759 927067018 /nfs/dbraw/zinc/06/70/18/927067018.db2.gz HHPYHBCPMOUNDW-CQSZACIVSA-N 1 3 267.417 1.034 20 30 CDEDHO C#CCC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001490270759 927067025 /nfs/dbraw/zinc/06/70/25/927067025.db2.gz HHPYHBCPMOUNDW-CQSZACIVSA-N 1 3 267.417 1.034 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001490768829 927339879 /nfs/dbraw/zinc/33/98/79/927339879.db2.gz VLCQWOVBXZTMJF-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001490768829 927339890 /nfs/dbraw/zinc/33/98/90/927339890.db2.gz VLCQWOVBXZTMJF-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773734 929891900 /nfs/dbraw/zinc/89/19/00/929891900.db2.gz RAXRHYURNQMRDM-STQMWFEESA-N 1 3 267.417 1.223 20 30 CDEDHO COc1cc(CCC#N)c(N[C@H](N)CCC[NH3+])cc1OC ZINC001170898549 930696028 /nfs/dbraw/zinc/69/60/28/930696028.db2.gz DNPXLQQJAKSIIC-HNNXBMFYSA-N 1 3 292.383 1.596 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050526 932913161 /nfs/dbraw/zinc/91/31/61/932913161.db2.gz WKWZVFDEQINEHO-CJNGLKHVSA-N 1 3 288.395 1.309 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050526 932913167 /nfs/dbraw/zinc/91/31/67/932913167.db2.gz WKWZVFDEQINEHO-CJNGLKHVSA-N 1 3 288.395 1.309 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155262419 937654772 /nfs/dbraw/zinc/65/47/72/937654772.db2.gz BOJKLWPXESVOFO-CQSZACIVSA-N 1 3 283.460 1.977 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155262419 937654775 /nfs/dbraw/zinc/65/47/75/937654775.db2.gz BOJKLWPXESVOFO-CQSZACIVSA-N 1 3 283.460 1.977 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883856 937685331 /nfs/dbraw/zinc/68/53/31/937685331.db2.gz MQSXUUSDSGLVPY-HZPDHXFCSA-N 1 3 295.471 1.813 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001121921631 937890680 /nfs/dbraw/zinc/89/06/80/937890680.db2.gz SFTBRTDBAWFNCX-KGLIPLIRSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001121921631 937890682 /nfs/dbraw/zinc/89/06/82/937890682.db2.gz SFTBRTDBAWFNCX-KGLIPLIRSA-N 1 3 265.401 1.271 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158426009 938623136 /nfs/dbraw/zinc/62/31/36/938623136.db2.gz YOHSTZPGFJNYLB-MJBXVCDLSA-N 1 3 265.401 1.413 20 30 CDEDHO CN(C)/C=N/c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C#N ZINC001162477593 939064495 /nfs/dbraw/zinc/06/44/95/939064495.db2.gz LTWQIPPCZXPXGH-RXYWKKKQSA-N 1 3 289.358 1.892 20 30 CDEDHO C[NH+]1CCC(C)(CN2CCN(CCC#N)CC2)CC1 ZINC001208107167 940290258 /nfs/dbraw/zinc/29/02/58/940290258.db2.gz PGPYTERAMHIADK-UHFFFAOYSA-N 1 3 264.417 1.250 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334515 940320344 /nfs/dbraw/zinc/32/03/44/940320344.db2.gz JGLOZLAYYBMQTI-GJZGRUSLSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210812037 940715052 /nfs/dbraw/zinc/71/50/52/940715052.db2.gz TTZZJWYCCNVZFH-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343957 940748014 /nfs/dbraw/zinc/74/80/14/940748014.db2.gz VAFFYQJZAUANBB-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218871982 941282112 /nfs/dbraw/zinc/28/21/12/941282112.db2.gz ZAXFKRVYXULQLB-MFKMUULPSA-N 1 3 260.341 1.318 20 30 CDEDHO N#Cc1c(F)ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1F ZINC001218914558 941287956 /nfs/dbraw/zinc/28/79/56/941287956.db2.gz ZAHPLGHWLKCIAL-ZDUSSCGKSA-N 1 3 294.305 1.102 20 30 CDEDHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC001220046751 941407744 /nfs/dbraw/zinc/40/77/44/941407744.db2.gz CDOBLMWWLIFEPZ-NHYWBVRUSA-N 1 3 286.379 1.062 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)CN(CC)CC ZINC001226564379 942026715 /nfs/dbraw/zinc/02/67/15/942026715.db2.gz KQDFRBOZVHDIEP-RBSFLKMASA-N 1 3 297.418 1.317 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228445242 942316975 /nfs/dbraw/zinc/31/69/75/942316975.db2.gz MFYIENOTSXERLB-BZUAXINKSA-N 1 3 293.455 1.613 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246556224 948266889 /nfs/dbraw/zinc/26/68/89/948266889.db2.gz DXMZSLOISMUMRC-PBHICJAKSA-N 1 3 287.407 1.665 20 30 CDEDHO C=CCOC1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618952 948350580 /nfs/dbraw/zinc/35/05/80/948350580.db2.gz PHMFFAXJNCHWAV-GQGLESIBSA-N 1 3 293.455 1.526 20 30 CDEDHO C=CCOC1CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246618952 948350586 /nfs/dbraw/zinc/35/05/86/948350586.db2.gz PHMFFAXJNCHWAV-GQGLESIBSA-N 1 3 293.455 1.526 20 30 CDEDHO C=CCOC1CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246618952 948350593 /nfs/dbraw/zinc/35/05/93/948350593.db2.gz PHMFFAXJNCHWAV-GQGLESIBSA-N 1 3 293.455 1.526 20 30 CDEDHO C=CCOC[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC001252493736 951367631 /nfs/dbraw/zinc/36/76/31/951367631.db2.gz SKLYYUNLQXILKV-OAHLLOKOSA-N 1 3 268.401 1.156 20 30 CDEDHO C=CCC[C@@H](O)C[N@@H+](CCCN(C)C)CCC(=O)OC ZINC001252599122 951493536 /nfs/dbraw/zinc/49/35/36/951493536.db2.gz XLJOJRZIXYXXKH-CQSZACIVSA-N 1 3 286.416 1.130 20 30 CDEDHO C=CCC[C@@H](O)C[N@H+](CCCN(C)C)CCC(=O)OC ZINC001252599122 951493541 /nfs/dbraw/zinc/49/35/41/951493541.db2.gz XLJOJRZIXYXXKH-CQSZACIVSA-N 1 3 286.416 1.130 20 30 CDEDHO C=CCC[C@H](O)CN1CCN(CCC[NH+](CC)CC)CC1 ZINC001252600085 951496317 /nfs/dbraw/zinc/49/63/17/951496317.db2.gz WKFJSZVETKWXHK-KRWDZBQOSA-N 1 3 297.487 1.663 20 30 CDEDHO C=C[C@H](O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001253606543 951991279 /nfs/dbraw/zinc/99/12/79/951991279.db2.gz JIKKMECMRZAPAM-HNNXBMFYSA-N 1 3 268.401 1.014 20 30 CDEDHO C=C[C@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001253606543 951991285 /nfs/dbraw/zinc/99/12/85/951991285.db2.gz JIKKMECMRZAPAM-HNNXBMFYSA-N 1 3 268.401 1.014 20 30 CDEDHO C=C[C@@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC001253609563 951994418 /nfs/dbraw/zinc/99/44/18/951994418.db2.gz VODBAJQXSSDAJW-CQSZACIVSA-N 1 3 264.369 1.264 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC001333666226 958494146 /nfs/dbraw/zinc/49/41/46/958494146.db2.gz BPJWCOUZAGPTHI-CQSZACIVSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC001333666226 958494154 /nfs/dbraw/zinc/49/41/54/958494154.db2.gz BPJWCOUZAGPTHI-CQSZACIVSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001340709341 963082550 /nfs/dbraw/zinc/08/25/50/963082550.db2.gz OADKIFKCKCMXKL-SOUVJXGZSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001340709341 963082563 /nfs/dbraw/zinc/08/25/63/963082563.db2.gz OADKIFKCKCMXKL-SOUVJXGZSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001340709341 963082569 /nfs/dbraw/zinc/08/25/69/963082569.db2.gz OADKIFKCKCMXKL-SOUVJXGZSA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001341767622 963534388 /nfs/dbraw/zinc/53/43/88/963534388.db2.gz OOCURBSCMDLWCJ-STQMWFEESA-N 1 3 253.390 1.257 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647222 968862026 /nfs/dbraw/zinc/86/20/26/968862026.db2.gz JJSSJAJUNHAFRH-YMAMQOFZSA-N 1 3 281.444 1.633 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100680785 968937545 /nfs/dbraw/zinc/93/75/45/968937545.db2.gz FMQNWNLXNWOGNG-UHFFFAOYSA-N 1 3 281.444 1.635 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683559 968942453 /nfs/dbraw/zinc/94/24/53/968942453.db2.gz HORMVHLWEWYOSP-RUXDESIVSA-N 1 3 267.417 1.387 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001521482417 970302276 /nfs/dbraw/zinc/30/22/76/970302276.db2.gz MFZUYSKJMKKCMF-BFHYXJOUSA-N 1 3 267.417 1.659 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001397655413 975670198 /nfs/dbraw/zinc/67/01/98/975670198.db2.gz ZVBXQGAPSMQMOU-JOCQHMNTSA-N 1 3 299.846 1.708 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000593324048 342788497 /nfs/dbraw/zinc/78/84/97/342788497.db2.gz XNUDLOIYUBRHBO-KRWDZBQOSA-N 1 3 284.407 1.474 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1 ZINC000264059993 361902823 /nfs/dbraw/zinc/90/28/23/361902823.db2.gz CNYFBJRNTLZXFL-AWEZNQCLSA-N 1 3 260.385 1.575 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781101 362089199 /nfs/dbraw/zinc/08/91/99/362089199.db2.gz LYGJFRDJMHNNKG-CABCVRRESA-N 1 3 264.417 1.296 20 30 CDEDHO N#Cc1sccc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000595901834 343187134 /nfs/dbraw/zinc/18/71/34/343187134.db2.gz ADSDBQHMNCSNOI-ZDUSSCGKSA-N 1 3 290.436 1.741 20 30 CDEDHO C[NH+](C)C1CCN(CCNCc2cccc(C#N)n2)CC1 ZINC000602586997 350129243 /nfs/dbraw/zinc/12/92/43/350129243.db2.gz FTHOEFYLDDYPDE-UHFFFAOYSA-N 1 3 287.411 1.069 20 30 CDEDHO CSC1(CNCc2cccc(C#N)n2)CC[NH+](C)CC1 ZINC000602667187 350139484 /nfs/dbraw/zinc/13/94/84/350139484.db2.gz MQNNQIOGPFRMLS-UHFFFAOYSA-N 1 3 290.436 1.870 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000264066142 362956548 /nfs/dbraw/zinc/95/65/48/362956548.db2.gz FAVOIMKGZSVSRJ-HNNXBMFYSA-N 1 3 274.412 1.884 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264105472 362968025 /nfs/dbraw/zinc/96/80/25/362968025.db2.gz PHFPGTLWBZUTOM-OAHLLOKOSA-N 1 3 285.395 1.447 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1 ZINC000264123047 362973628 /nfs/dbraw/zinc/97/36/28/362973628.db2.gz RNXHWXGBJJQDMT-AWEZNQCLSA-N 1 3 290.411 1.454 20 30 CDEDHO C=CCOCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000348033560 359783015 /nfs/dbraw/zinc/78/30/15/359783015.db2.gz MXEIZDBGYSOAQJ-LSDHHAIUSA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000348033560 359783018 /nfs/dbraw/zinc/78/30/18/359783018.db2.gz MXEIZDBGYSOAQJ-LSDHHAIUSA-N 1 3 252.402 1.995 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357067337 366735039 /nfs/dbraw/zinc/73/50/39/366735039.db2.gz COPPBLHIYCNXIX-INIZCTEOSA-N 1 3 291.439 1.509 20 30 CDEDHO N#CCCNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000567725746 365039229 /nfs/dbraw/zinc/03/92/29/365039229.db2.gz HYXXSIHOIHEHLX-UHFFFAOYSA-N 1 3 273.384 1.097 20 30 CDEDHO C=C(CC)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000358820960 367907680 /nfs/dbraw/zinc/90/76/80/367907680.db2.gz UYIRPZRASDADGM-JKSUJKDBSA-N 1 3 265.445 1.910 20 30 CDEDHO C=C(CC)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000358820958 367907960 /nfs/dbraw/zinc/90/79/60/367907960.db2.gz UYIRPZRASDADGM-HZPDHXFCSA-N 1 3 265.445 1.910 20 30 CDEDHO CCN(C)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000072488975 369072673 /nfs/dbraw/zinc/07/26/73/369072673.db2.gz QIBDYQRHJCLXML-CYBMUJFWSA-N 1 3 255.431 1.907 20 30 CDEDHO CCN(C)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000072488975 369072680 /nfs/dbraw/zinc/07/26/80/369072680.db2.gz QIBDYQRHJCLXML-CYBMUJFWSA-N 1 3 255.431 1.907 20 30 CDEDHO Cn1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1C#N ZINC000232314331 372961130 /nfs/dbraw/zinc/96/11/30/372961130.db2.gz UFWSRZJDSRSHBW-CABCVRRESA-N 1 3 258.369 1.613 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000420323515 376339712 /nfs/dbraw/zinc/33/97/12/376339712.db2.gz YKAZRVBLYIZNHE-HUUCEWRRSA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417532264 377890475 /nfs/dbraw/zinc/89/04/75/377890475.db2.gz DZMVSRFIBOUADY-HNNXBMFYSA-N 1 3 296.459 1.700 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000365488973 262367538 /nfs/dbraw/zinc/36/75/38/262367538.db2.gz FFDGMSYLPWEJAY-LXTVHRRPSA-N 1 3 263.385 1.522 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000365488973 262367539 /nfs/dbraw/zinc/36/75/39/262367539.db2.gz FFDGMSYLPWEJAY-LXTVHRRPSA-N 1 3 263.385 1.522 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000417061325 391341816 /nfs/dbraw/zinc/34/18/16/391341816.db2.gz KYXOBTVOOLRTKI-LSDHHAIUSA-N 1 3 294.443 1.428 20 30 CDEDHO N#CCCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957292 261175209 /nfs/dbraw/zinc/17/52/09/261175209.db2.gz YKZSCWRGMYQTKM-UHFFFAOYSA-N 1 3 265.401 1.867 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000361226383 261177709 /nfs/dbraw/zinc/17/77/09/261177709.db2.gz BAGDATFJORLFKH-GDBMZVCRSA-N 1 3 265.445 1.957 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccs1 ZINC000264056191 262860587 /nfs/dbraw/zinc/86/05/87/262860587.db2.gz AWLFZMXIHSYGEP-LLVKDONJSA-N 1 3 266.414 1.637 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000340186209 263084407 /nfs/dbraw/zinc/08/44/07/263084407.db2.gz ZLKFWELXCLSIIA-UONOGXRCSA-N 1 3 267.417 1.539 20 30 CDEDHO C=CCN1CC[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000420331217 329761498 /nfs/dbraw/zinc/76/14/98/329761498.db2.gz DJYDCTOQWBMQIM-GJZGRUSLSA-N 1 3 277.412 1.237 20 30 CDEDHO [NH2+]=C(NCC1(N2CCCC2)CCOCC1)NC1CCCC1 ZINC000262433254 330010479 /nfs/dbraw/zinc/01/04/79/330010479.db2.gz UAJJHEKYUOLNPF-UHFFFAOYSA-N 1 3 294.443 1.478 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[N@@H+]1CCCC[C@H]1C ZINC000424139422 330279042 /nfs/dbraw/zinc/27/90/42/330279042.db2.gz VGAYCMRIDMBBQI-RDBSUJKOSA-N 1 3 280.416 1.387 20 30 CDEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[N@H+]1CCCC[C@H]1C ZINC000424139422 330279044 /nfs/dbraw/zinc/27/90/44/330279044.db2.gz VGAYCMRIDMBBQI-RDBSUJKOSA-N 1 3 280.416 1.387 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000424153429 330300093 /nfs/dbraw/zinc/30/00/93/330300093.db2.gz IGDMPAPRHUFWDS-HNNXBMFYSA-N 1 3 288.395 1.385 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000328127065 330322579 /nfs/dbraw/zinc/32/25/79/330322579.db2.gz UROSGSGKOUYDKR-RBSFLKMASA-N 1 3 251.418 1.260 20 30 CDEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](N)CCCC#N ZINC000424194217 330324369 /nfs/dbraw/zinc/32/43/69/330324369.db2.gz RYZNYYDRKALCCJ-OAHLLOKOSA-N 1 3 294.443 1.730 20 30 CDEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](N)CCCC#N ZINC000424194217 330324370 /nfs/dbraw/zinc/32/43/70/330324370.db2.gz RYZNYYDRKALCCJ-OAHLLOKOSA-N 1 3 294.443 1.730 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000491669805 332277240 /nfs/dbraw/zinc/27/72/40/332277240.db2.gz UUQJOUKKKXCZOH-INIZCTEOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000491669805 332277241 /nfs/dbraw/zinc/27/72/41/332277241.db2.gz UUQJOUKKKXCZOH-INIZCTEOSA-N 1 3 291.439 1.465 20 30 CDEDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)CC#N ZINC000576717464 335239710 /nfs/dbraw/zinc/23/97/10/335239710.db2.gz DNWUZAFZBGDKFU-UHFFFAOYSA-N 1 3 297.447 1.061 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001755025211 1159505137 /nfs/dbraw/zinc/50/51/37/1159505137.db2.gz QESULWXAXSCAHO-LSDHHAIUSA-N 1 3 297.418 1.270 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CN(CC)CC)CC1 ZINC001755025211 1159505141 /nfs/dbraw/zinc/50/51/41/1159505141.db2.gz QESULWXAXSCAHO-LSDHHAIUSA-N 1 3 297.418 1.270 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001752505119 1159812140 /nfs/dbraw/zinc/81/21/40/1159812140.db2.gz VLCQWOVBXZTMJF-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001752505119 1159812142 /nfs/dbraw/zinc/81/21/42/1159812142.db2.gz VLCQWOVBXZTMJF-GJZGRUSLSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000665946471 482863945 /nfs/dbraw/zinc/86/39/45/482863945.db2.gz ZOBOCWYXXKSAGM-OAHLLOKOSA-N 1 3 296.459 1.620 20 30 CDEDHO C=CCCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000665946471 482863949 /nfs/dbraw/zinc/86/39/49/482863949.db2.gz ZOBOCWYXXKSAGM-OAHLLOKOSA-N 1 3 296.459 1.620 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)CC1 ZINC000669465244 483172887 /nfs/dbraw/zinc/17/28/87/483172887.db2.gz DGRGJIQKJSGHGU-UKRRQHHQSA-N 1 3 294.443 1.406 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538208 1162209899 /nfs/dbraw/zinc/20/98/99/1162209899.db2.gz CBTGFLUVQCMGCO-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[C@@H](C)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538208 1162209903 /nfs/dbraw/zinc/20/99/03/1162209903.db2.gz CBTGFLUVQCMGCO-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000752936099 577135653 /nfs/dbraw/zinc/13/56/53/577135653.db2.gz YAGLDVUGLPCFQK-ZDUSSCGKSA-N 1 3 255.406 1.341 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000752936099 577135654 /nfs/dbraw/zinc/13/56/54/577135654.db2.gz YAGLDVUGLPCFQK-ZDUSSCGKSA-N 1 3 255.406 1.341 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981272906 612957130 /nfs/dbraw/zinc/95/71/30/612957130.db2.gz SYHFKIWIIBMWEE-HUUCEWRRSA-N 1 3 291.439 1.511 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948779431 613178029 /nfs/dbraw/zinc/17/80/29/613178029.db2.gz NRGXMSVIORRWST-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948779431 613178031 /nfs/dbraw/zinc/17/80/31/613178031.db2.gz NRGXMSVIORRWST-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779431 613178033 /nfs/dbraw/zinc/17/80/33/613178033.db2.gz NRGXMSVIORRWST-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000948779431 613178034 /nfs/dbraw/zinc/17/80/34/613178034.db2.gz NRGXMSVIORRWST-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC000961775513 613562985 /nfs/dbraw/zinc/56/29/85/613562985.db2.gz VBYUHABZZYVHIX-NYTXWWLZSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC000961775513 613562986 /nfs/dbraw/zinc/56/29/86/613562986.db2.gz VBYUHABZZYVHIX-NYTXWWLZSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972331851 613612413 /nfs/dbraw/zinc/61/24/13/613612413.db2.gz MRGREAROTZMWRO-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972331851 613612414 /nfs/dbraw/zinc/61/24/14/613612414.db2.gz MRGREAROTZMWRO-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014218 613685436 /nfs/dbraw/zinc/68/54/36/613685436.db2.gz UJBKVMTZNANZGZ-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)N(CC)[C@@H]2CC[NH2+]C2)CC1 ZINC000891521180 617459965 /nfs/dbraw/zinc/45/99/65/617459965.db2.gz DBRLLVMLPLKAKH-CQSZACIVSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232539 1158545966 /nfs/dbraw/zinc/54/59/66/1158545966.db2.gz GRIYRLLNCHDZGN-OAHLLOKOSA-N 1 3 293.455 1.780 20 30 CDEDHO C#CCCN(C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753058138 1182206789 /nfs/dbraw/zinc/20/67/89/1182206789.db2.gz KUXMEOSZDRLASC-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753355498 1185167301 /nfs/dbraw/zinc/16/73/01/1185167301.db2.gz JCHNFIYKDZZYKA-CYBMUJFWSA-N 1 3 276.384 1.309 20 30 CDEDHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753355498 1185167305 /nfs/dbraw/zinc/16/73/05/1185167305.db2.gz JCHNFIYKDZZYKA-CYBMUJFWSA-N 1 3 276.384 1.309 20 30 CDEDHO C#CC[NH2+]C[C@](C)(NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001753524496 1185247447 /nfs/dbraw/zinc/24/74/47/1185247447.db2.gz FTCIAIGNNFYWLQ-KRWDZBQOSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001753548369 1185252986 /nfs/dbraw/zinc/25/29/86/1185252986.db2.gz NSWGBTYIQRVHCO-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001754602875 1185679678 /nfs/dbraw/zinc/67/96/78/1185679678.db2.gz CLKQYVPDJBZPBF-CABCVRRESA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001755460220 1185955194 /nfs/dbraw/zinc/95/51/94/1185955194.db2.gz DGOQRZVGXSVKJE-CALCHBBNSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001755460220 1185955198 /nfs/dbraw/zinc/95/51/98/1185955198.db2.gz DGOQRZVGXSVKJE-CALCHBBNSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCCC[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001755861895 1186093665 /nfs/dbraw/zinc/09/36/65/1186093665.db2.gz MQNYTQWNOGMMRO-QQFBHYJXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097809 736480768 /nfs/dbraw/zinc/48/07/68/736480768.db2.gz FUUVIWMBMBGESI-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028097809 736480784 /nfs/dbraw/zinc/48/07/84/736480784.db2.gz FUUVIWMBMBGESI-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989606934 736603378 /nfs/dbraw/zinc/60/33/78/736603378.db2.gz XCOJEDYGPVCVBB-HOTGVXAUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533052 738459496 /nfs/dbraw/zinc/45/94/96/738459496.db2.gz LZVSJPMWFQOULQ-JYJNAYRXSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533052 738459501 /nfs/dbraw/zinc/45/95/01/738459501.db2.gz LZVSJPMWFQOULQ-JYJNAYRXSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533052 738459507 /nfs/dbraw/zinc/45/95/07/738459507.db2.gz LZVSJPMWFQOULQ-JYJNAYRXSA-N 1 3 293.455 1.824 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034735420 736645487 /nfs/dbraw/zinc/64/54/87/736645487.db2.gz GXCCUPNKOQLULU-KKUMJFAQSA-N 1 3 277.412 1.121 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC)C2)CC1 ZINC001072095459 737048377 /nfs/dbraw/zinc/04/83/77/737048377.db2.gz IPYVYUIBYQJYJK-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC)C2)CC1 ZINC001072095459 737048383 /nfs/dbraw/zinc/04/83/83/737048383.db2.gz IPYVYUIBYQJYJK-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001019380774 737048600 /nfs/dbraw/zinc/04/86/00/737048600.db2.gz MAPDAGSAMCMWLH-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCN(CC=C)[C@H](CN[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925538707 738050442 /nfs/dbraw/zinc/05/04/42/738050442.db2.gz WCWSJTFWFYAIDB-HZPDHXFCSA-N 1 3 281.444 1.263 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027883902 738361051 /nfs/dbraw/zinc/36/10/51/738361051.db2.gz DSYXBRFEGDREOP-HZPDHXFCSA-N 1 3 291.439 1.485 20 30 CDEDHO C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046318278 738376472 /nfs/dbraw/zinc/37/64/72/738376472.db2.gz WRWRLTZAAOIORC-WBVHZDCISA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046318278 738376476 /nfs/dbraw/zinc/37/64/76/738376476.db2.gz WRWRLTZAAOIORC-WBVHZDCISA-N 1 3 291.439 1.463 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403959 738378036 /nfs/dbraw/zinc/37/80/36/738378036.db2.gz RFAUXGSADJBLJL-GDBMZVCRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403959 738378042 /nfs/dbraw/zinc/37/80/42/738378042.db2.gz RFAUXGSADJBLJL-GDBMZVCRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001017944519 738732036 /nfs/dbraw/zinc/73/20/36/738732036.db2.gz MAXFJAWVXAZYDC-CAOSSQGBSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001017944519 738732050 /nfs/dbraw/zinc/73/20/50/738732050.db2.gz MAXFJAWVXAZYDC-CAOSSQGBSA-N 1 3 291.439 1.435 20 30 CDEDHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041405086 738814639 /nfs/dbraw/zinc/81/46/39/738814639.db2.gz ZEGMSYMLDUHCGT-WBVHZDCISA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041405086 738814641 /nfs/dbraw/zinc/81/46/41/738814641.db2.gz ZEGMSYMLDUHCGT-WBVHZDCISA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC)C2)CC1 ZINC000995231616 738868777 /nfs/dbraw/zinc/86/87/77/738868777.db2.gz NJEGBQQFLNILQW-ZBFHGGJFSA-N 1 3 291.439 1.226 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001036192170 739063886 /nfs/dbraw/zinc/06/38/86/739063886.db2.gz IXSHMUZWDMDZRY-LSDHHAIUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075906009 736618785 /nfs/dbraw/zinc/61/87/85/736618785.db2.gz DVNRCBZZIIGFEZ-HRCADAONSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075906009 736618787 /nfs/dbraw/zinc/61/87/87/736618787.db2.gz DVNRCBZZIIGFEZ-HRCADAONSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC000995876866 736807777 /nfs/dbraw/zinc/80/77/77/736807777.db2.gz BEUKDBPXWBROLN-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983345 736978523 /nfs/dbraw/zinc/97/85/23/736978523.db2.gz SIMHEOTUMHKNFR-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983345 736978529 /nfs/dbraw/zinc/97/85/29/736978529.db2.gz SIMHEOTUMHKNFR-HNNXBMFYSA-N 1 3 291.439 1.439 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074939559 737054694 /nfs/dbraw/zinc/05/46/94/737054694.db2.gz GATDRQDAZDHZHU-XHSDSOJGSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713262 737858801 /nfs/dbraw/zinc/85/88/01/737858801.db2.gz UMDOLSYDPCFXDW-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713262 737858803 /nfs/dbraw/zinc/85/88/03/737858803.db2.gz UMDOLSYDPCFXDW-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001050456769 738211882 /nfs/dbraw/zinc/21/18/82/738211882.db2.gz SPGQSUSMUHMRIQ-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796764 739046780 /nfs/dbraw/zinc/04/67/80/739046780.db2.gz WYWRXLWCFNXCGA-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779358 914295384 /nfs/dbraw/zinc/29/53/84/914295384.db2.gz KVQMQVKAXJXFAF-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@@H](F)CC)CC1 ZINC001176926214 914357872 /nfs/dbraw/zinc/35/78/72/914357872.db2.gz JNWYACVAJAFBBZ-HNNXBMFYSA-N 1 3 297.418 1.176 20 30 CDEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064201 899839416 /nfs/dbraw/zinc/83/94/16/899839416.db2.gz BZWNSOVWCCKPDJ-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223525359 901602152 /nfs/dbraw/zinc/60/21/52/901602152.db2.gz SCTCXUWGSJAWNR-HNNXBMFYSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121208 906340304 /nfs/dbraw/zinc/34/03/04/906340304.db2.gz UBHQOMVYMMGMQA-KGLIPLIRSA-N 1 3 288.395 1.309 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121208 906340321 /nfs/dbraw/zinc/34/03/21/906340321.db2.gz UBHQOMVYMMGMQA-KGLIPLIRSA-N 1 3 288.395 1.309 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171508205 910808651 /nfs/dbraw/zinc/80/86/51/910808651.db2.gz BOKQWAXSHZDKEW-HUUCEWRRSA-N 1 3 281.444 1.615 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171508211 910808870 /nfs/dbraw/zinc/80/88/70/910808870.db2.gz BRNOBIVWJDVWQS-HUUCEWRRSA-N 1 3 281.444 1.615 20 30 CDEDHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484101599 915433889 /nfs/dbraw/zinc/43/38/89/915433889.db2.gz MRDYUNADXLOISK-DOTOQJQBSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001052956568 936405377 /nfs/dbraw/zinc/40/53/77/936405377.db2.gz VAOHHTOVLYXBKP-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001052956568 936405381 /nfs/dbraw/zinc/40/53/81/936405381.db2.gz VAOHHTOVLYXBKP-CVEARBPZSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182517430 917928871 /nfs/dbraw/zinc/92/88/71/917928871.db2.gz UANWMDNTUGASEK-BFYDXBDKSA-N 1 3 293.455 1.280 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185446037 919596819 /nfs/dbraw/zinc/59/68/19/919596819.db2.gz IJPRWIVVJPZVEC-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185723858 919730330 /nfs/dbraw/zinc/73/03/30/919730330.db2.gz QLSYLUCFSBUXPI-CQSZACIVSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555589 920071719 /nfs/dbraw/zinc/07/17/19/920071719.db2.gz SCXICYITEQCMGK-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035597 936710413 /nfs/dbraw/zinc/71/04/13/936710413.db2.gz DACWOMRWPMXMPX-HUUCEWRRSA-N 1 3 291.439 1.674 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325477 921962035 /nfs/dbraw/zinc/96/20/35/921962035.db2.gz VYNKXPOPMGHFRN-JKSUJKDBSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582761 922270151 /nfs/dbraw/zinc/27/01/51/922270151.db2.gz QMEOWEMTAIARLD-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582761 922270166 /nfs/dbraw/zinc/27/01/66/922270166.db2.gz QMEOWEMTAIARLD-KBPBESRZSA-N 1 3 265.401 1.047 20 30 CDEDHO C#Cc1ccccc1C(=O)N(CC[NH+](CC)CC)C(=N)N ZINC001191128259 922415220 /nfs/dbraw/zinc/41/52/20/922415220.db2.gz GLOWWJZCCQPWTH-UHFFFAOYSA-N 1 3 286.379 1.345 20 30 CDEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001034659406 922708865 /nfs/dbraw/zinc/70/88/65/922708865.db2.gz SMRNGQCRZOHRCJ-BZUAXINKSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385318 923050680 /nfs/dbraw/zinc/05/06/80/923050680.db2.gz GAAIPNSYYDJXLL-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192385318 923050694 /nfs/dbraw/zinc/05/06/94/923050694.db2.gz GAAIPNSYYDJXLL-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192960775 923340180 /nfs/dbraw/zinc/34/01/80/923340180.db2.gz UMTNWMRBICUFNK-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192960775 923340187 /nfs/dbraw/zinc/34/01/87/923340187.db2.gz UMTNWMRBICUFNK-CYBMUJFWSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079843678 924436612 /nfs/dbraw/zinc/43/66/12/924436612.db2.gz DQOALCCMTNRNST-OWCLPIDISA-N 1 3 293.455 1.587 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079843678 924436615 /nfs/dbraw/zinc/43/66/15/924436615.db2.gz DQOALCCMTNRNST-OWCLPIDISA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787826 925859410 /nfs/dbraw/zinc/85/94/10/925859410.db2.gz DTSCFFPNAYKQMG-HNNXBMFYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855562 937244646 /nfs/dbraw/zinc/24/46/46/937244646.db2.gz BDFKWLFVEQIVOW-YOEHRIQHSA-N 1 3 291.439 1.485 20 30 CDEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304128 937346156 /nfs/dbraw/zinc/34/61/56/937346156.db2.gz OUDWGLSDSZGTDQ-LJIGWXMPSA-N 1 3 293.455 1.728 20 30 CDEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304128 937346159 /nfs/dbraw/zinc/34/61/59/937346159.db2.gz OUDWGLSDSZGTDQ-LJIGWXMPSA-N 1 3 293.455 1.728 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153727630 937464217 /nfs/dbraw/zinc/46/42/17/937464217.db2.gz FCMJZWARRUCQAN-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153727630 937464218 /nfs/dbraw/zinc/46/42/18/937464218.db2.gz FCMJZWARRUCQAN-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO CN(C)/C=N/c1ccc(NCC(C)(C)[NH3+])cc1C#N ZINC001171192274 931856702 /nfs/dbraw/zinc/85/67/02/931856702.db2.gz AIZURPZMKQDGJG-VCHYOVAHSA-N 1 3 259.357 1.929 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146602331 932269638 /nfs/dbraw/zinc/26/96/38/932269638.db2.gz SDAURNZFMJAAPY-KGLIPLIRSA-N 1 3 269.433 1.776 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC)CC1 ZINC001146608962 932272053 /nfs/dbraw/zinc/27/20/53/932272053.db2.gz BKYBGEQBRYWVLN-ZIAGYGMSSA-N 1 3 279.428 1.224 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001326835184 932624600 /nfs/dbraw/zinc/62/46/00/932624600.db2.gz RPIXKVNJGCGUHA-AWEZNQCLSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001121909955 937889238 /nfs/dbraw/zinc/88/92/38/937889238.db2.gz DMIPJUPEUSONNX-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC001121911263 937889712 /nfs/dbraw/zinc/88/97/12/937889712.db2.gz RUXDEMQTMIWYBA-CABCVRRESA-N 1 3 281.444 1.908 20 30 CDEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744654 938659358 /nfs/dbraw/zinc/65/93/58/938659358.db2.gz QSXKCOHIDXMFEV-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161107053 938872061 /nfs/dbraw/zinc/87/20/61/938872061.db2.gz WPZNAGCZTBCRBH-UHFFFAOYSA-N 1 3 277.412 1.100 20 30 CDEDHO CC[NH+](CC)CCNC(=N)Nc1ncc(C#N)cc1Cl ZINC001163123027 939205300 /nfs/dbraw/zinc/20/53/00/939205300.db2.gz VSRBTKMUVDBDNU-UHFFFAOYSA-N 1 3 294.790 1.885 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ncc(C#N)cc1Cl ZINC001163123027 939205303 /nfs/dbraw/zinc/20/53/03/939205303.db2.gz VSRBTKMUVDBDNU-UHFFFAOYSA-N 1 3 294.790 1.885 20 30 CDEDHO CN(C)C1(C)CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001165117695 939512509 /nfs/dbraw/zinc/51/25/09/939512509.db2.gz ZNXOIDONZTXNLP-UHFFFAOYSA-N 1 3 285.395 1.129 20 30 CDEDHO COc1cc(CN2CCC[C@@](O)(C[NH3+])CC2)ccc1C#N ZINC001205248921 939842685 /nfs/dbraw/zinc/84/26/85/939842685.db2.gz TYXBCFQPSINKKQ-INIZCTEOSA-N 1 3 289.379 1.243 20 30 CDEDHO N#CCOc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206166466 939989879 /nfs/dbraw/zinc/98/98/79/939989879.db2.gz SNWZCNQBSWXULE-LSDHHAIUSA-N 1 3 277.343 1.850 20 30 CDEDHO N#CCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206166466 939989880 /nfs/dbraw/zinc/98/98/80/939989880.db2.gz SNWZCNQBSWXULE-LSDHHAIUSA-N 1 3 277.343 1.850 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928639 940113072 /nfs/dbraw/zinc/11/30/72/940113072.db2.gz CYZBGIFXCUDHAO-UHFFFAOYSA-N 1 3 279.428 1.487 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206954355 940117531 /nfs/dbraw/zinc/11/75/31/940117531.db2.gz FKWUYSRQLSLRBC-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001220868335 941478820 /nfs/dbraw/zinc/47/88/20/941478820.db2.gz GOEFHLYUSMPPRO-IHRRRGAJSA-N 1 3 265.401 1.141 20 30 CDEDHO C#CCN1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225207417 941830443 /nfs/dbraw/zinc/83/04/43/941830443.db2.gz QMDGOUCTLRVTCN-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN(C)CCC)CC1 ZINC001230113220 942584164 /nfs/dbraw/zinc/58/41/64/942584164.db2.gz XUGQAWXBYSUCEX-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001263095178 943741221 /nfs/dbraw/zinc/74/12/21/943741221.db2.gz FYQYHMPSXSIEGN-KKUMJFAQSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001263095178 943741224 /nfs/dbraw/zinc/74/12/24/943741224.db2.gz FYQYHMPSXSIEGN-KKUMJFAQSA-N 1 3 281.444 1.907 20 30 CDEDHO CCCCCCCC[C@@H](O)CN1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246036907 947914045 /nfs/dbraw/zinc/91/40/45/947914045.db2.gz ZTDXLYZJYFZTBL-KBXIAJHMSA-N 1 3 254.418 1.987 20 30 CDEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001493255473 955887632 /nfs/dbraw/zinc/88/76/32/955887632.db2.gz UQDLPHCYQGEJLN-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001493255473 955887641 /nfs/dbraw/zinc/88/76/41/955887641.db2.gz UQDLPHCYQGEJLN-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322680556 960295022 /nfs/dbraw/zinc/29/50/22/960295022.db2.gz KXFQCLHYJNCTAF-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340105866 962745534 /nfs/dbraw/zinc/74/55/34/962745534.db2.gz PDLFHBKUWIGAJH-CABCVRRESA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001340105866 962745553 /nfs/dbraw/zinc/74/55/53/962745553.db2.gz PDLFHBKUWIGAJH-CABCVRRESA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001343407762 963971791 /nfs/dbraw/zinc/97/17/91/963971791.db2.gz LEINDFMNDKNFRG-HUUCEWRRSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433957 1163287486 /nfs/dbraw/zinc/28/74/86/1163287486.db2.gz SHTXZYHIMAFSJW-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC001574963887 1171065039 /nfs/dbraw/zinc/06/50/39/1171065039.db2.gz ZICGXUGKAJDYNW-CQSZACIVSA-N 1 3 293.436 1.379 20 30 CDEDHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1(C)C ZINC000442869146 362098672 /nfs/dbraw/zinc/09/86/72/362098672.db2.gz IKFBLPRXSZXVDN-CABCVRRESA-N 1 3 278.444 1.684 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595946058 343205563 /nfs/dbraw/zinc/20/55/63/343205563.db2.gz QKPITFHWIBFMFB-DZGCQCFKSA-N 1 3 292.427 1.531 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595946058 343205565 /nfs/dbraw/zinc/20/55/65/343205565.db2.gz QKPITFHWIBFMFB-DZGCQCFKSA-N 1 3 292.427 1.531 20 30 CDEDHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092277905 342414080 /nfs/dbraw/zinc/41/40/80/342414080.db2.gz UMHOTEYNZYGUFO-HUUCEWRRSA-N 1 3 294.443 1.477 20 30 CDEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598719851 343883163 /nfs/dbraw/zinc/88/31/63/343883163.db2.gz KAJKELSYPWMAKE-LSDHHAIUSA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598719851 343883165 /nfs/dbraw/zinc/88/31/65/343883165.db2.gz KAJKELSYPWMAKE-LSDHHAIUSA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598719851 343883167 /nfs/dbraw/zinc/88/31/67/343883167.db2.gz KAJKELSYPWMAKE-LSDHHAIUSA-N 1 3 281.444 1.997 20 30 CDEDHO N#C[C@H]1CCC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000602020496 344317022 /nfs/dbraw/zinc/31/70/22/344317022.db2.gz KLPXSHDIXFLRMS-UONOGXRCSA-N 1 3 285.395 1.985 20 30 CDEDHO CN1CCN(CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000613255105 347542531 /nfs/dbraw/zinc/54/25/31/347542531.db2.gz KHUOADFZWIYWFC-HOTGVXAUSA-N 1 3 278.444 1.686 20 30 CDEDHO C[C@H]1C[N@H+](CCCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374326665 370688047 /nfs/dbraw/zinc/68/80/47/370688047.db2.gz UAGCAAKEVJCVLG-GJZGRUSLSA-N 1 3 264.417 1.248 20 30 CDEDHO C[C@H]1C[N@@H+](CCCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374326665 370688050 /nfs/dbraw/zinc/68/80/50/370688050.db2.gz UAGCAAKEVJCVLG-GJZGRUSLSA-N 1 3 264.417 1.248 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341935 376333166 /nfs/dbraw/zinc/33/31/66/376333166.db2.gz OXLWRCNLOBYSKM-JKSUJKDBSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCOCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420974811 376520376 /nfs/dbraw/zinc/52/03/76/376520376.db2.gz FCMGDRZKLXWKCH-UHFFFAOYSA-N 1 3 295.471 1.681 20 30 CDEDHO C=CCOCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420974811 376520381 /nfs/dbraw/zinc/52/03/81/376520381.db2.gz FCMGDRZKLXWKCH-UHFFFAOYSA-N 1 3 295.471 1.681 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000344619424 533114226 /nfs/dbraw/zinc/11/42/26/533114226.db2.gz QSICVQMPPRJUPD-AAEUAGOBSA-N 1 3 251.374 1.773 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1F ZINC000267431747 391194796 /nfs/dbraw/zinc/19/47/96/391194796.db2.gz MVGBCXAIAYFXCG-ZDUSSCGKSA-N 1 3 296.365 1.853 20 30 CDEDHO C[C@H]1C[NH+]=C(NCc2cccc(OCCN(C)C)c2)N1 ZINC000262420383 391783163 /nfs/dbraw/zinc/78/31/63/391783163.db2.gz BDFFOFYATDGJFJ-LBPRGKRZSA-N 1 3 276.384 1.064 20 30 CDEDHO CC(C)N(C)Cc1ccccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262669728 391810418 /nfs/dbraw/zinc/81/04/18/391810418.db2.gz QLOOXQQKGMPCAI-ZDUSSCGKSA-N 1 3 274.412 1.964 20 30 CDEDHO CC(C#N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000347106547 226052419 /nfs/dbraw/zinc/05/24/19/226052419.db2.gz LZJKBLJDTWXXFJ-CYBMUJFWSA-N 1 3 279.384 1.297 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@]2(N(C)C)CCC[C@@H](C)C2)N1 ZINC000261579313 329971759 /nfs/dbraw/zinc/97/17/59/329971759.db2.gz PKYMDMFFRPRKNI-DYEKYZERSA-N 1 3 252.406 1.434 20 30 CDEDHO C[NH+]=C(NCCNC(C)(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262830777 330034827 /nfs/dbraw/zinc/03/48/27/330034827.db2.gz ZVJRJAXBNDXYIT-YNEHKIRRSA-N 1 3 296.459 1.353 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000424126796 330259289 /nfs/dbraw/zinc/25/92/89/330259289.db2.gz BYVADWPYDAIOLV-KBPBESRZSA-N 1 3 278.400 1.094 20 30 CDEDHO C[N@H+](CCNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424132036 330264334 /nfs/dbraw/zinc/26/43/34/330264334.db2.gz KBAGIWOVEGRSGX-CQSZACIVSA-N 1 3 280.416 1.388 20 30 CDEDHO C[N@@H+](CCNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424132036 330264336 /nfs/dbraw/zinc/26/43/36/330264336.db2.gz KBAGIWOVEGRSGX-CQSZACIVSA-N 1 3 280.416 1.388 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000424139304 330279120 /nfs/dbraw/zinc/27/91/20/330279120.db2.gz ADLXGOGTNNLASA-UONOGXRCSA-N 1 3 278.400 1.094 20 30 CDEDHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424142989 330286649 /nfs/dbraw/zinc/28/66/49/330286649.db2.gz JFTPRDQOJSAFAS-KGLIPLIRSA-N 1 3 280.416 1.198 20 30 CDEDHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424142989 330286650 /nfs/dbraw/zinc/28/66/50/330286650.db2.gz JFTPRDQOJSAFAS-KGLIPLIRSA-N 1 3 280.416 1.198 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000424158541 330305587 /nfs/dbraw/zinc/30/55/87/330305587.db2.gz RDUPENKZAOJLIR-UONOGXRCSA-N 1 3 278.400 1.094 20 30 CDEDHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(C)C#N ZINC000452346421 331062912 /nfs/dbraw/zinc/06/29/12/331062912.db2.gz VOKKSUDEFXDJPQ-STQMWFEESA-N 1 3 251.374 1.773 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491887284 332373638 /nfs/dbraw/zinc/37/36/38/332373638.db2.gz SPQRQFXWCSLNQB-AATRIKPKSA-N 1 3 265.401 1.261 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000764437293 575907022 /nfs/dbraw/zinc/90/70/22/575907022.db2.gz KKCZIJGFKCBRPJ-KCQAQPDRSA-N 1 3 281.444 1.587 20 30 CDEDHO CCN1CCC(=NNC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000741464897 576560331 /nfs/dbraw/zinc/56/03/31/576560331.db2.gz WLTOYRVEXIMXHM-GFCCVEGCSA-N 1 3 299.488 1.120 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968916004 612961365 /nfs/dbraw/zinc/96/13/65/612961365.db2.gz VXWZQALGCSCOFV-CABCVRRESA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968916004 612961367 /nfs/dbraw/zinc/96/13/67/612961367.db2.gz VXWZQALGCSCOFV-CABCVRRESA-N 1 3 277.412 1.073 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969952401 613863537 /nfs/dbraw/zinc/86/35/37/613863537.db2.gz WCXTUAHJRGAYQW-CYBMUJFWSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H](N)c1ccccc1OC ZINC000911665749 629385378 /nfs/dbraw/zinc/38/53/78/629385378.db2.gz SYZVYKDNUIHABO-KBPBESRZSA-N 1 3 291.395 1.495 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750581 629469020 /nfs/dbraw/zinc/46/90/20/629469020.db2.gz DRSLNKHNWHHMOH-KGLIPLIRSA-N 1 3 269.433 1.933 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911824375 629552809 /nfs/dbraw/zinc/55/28/09/629552809.db2.gz NNSJEGWFDHQFDA-UPJWGTAASA-N 1 3 253.390 1.256 20 30 CDEDHO CC#CCNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622606 1162677089 /nfs/dbraw/zinc/67/70/89/1162677089.db2.gz QWQAELRKILRZBH-UHFFFAOYSA-N 1 3 279.428 1.369 20 30 CDEDHO CC#CCNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622606 1162677092 /nfs/dbraw/zinc/67/70/92/1162677092.db2.gz QWQAELRKILRZBH-UHFFFAOYSA-N 1 3 279.428 1.369 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135005 1163579172 /nfs/dbraw/zinc/57/91/72/1163579172.db2.gz JSTXPABNSBPSST-KBPBESRZSA-N 1 3 288.395 1.050 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001567023785 1168516972 /nfs/dbraw/zinc/51/69/72/1168516972.db2.gz AAXNQZAUNQPERZ-KGLIPLIRSA-N 1 3 269.433 1.633 20 30 CDEDHO C#CCC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001733105282 1183292697 /nfs/dbraw/zinc/29/26/97/1183292697.db2.gz SDRDTAVPUSVRSN-AWEZNQCLSA-N 1 3 267.417 1.034 20 30 CDEDHO C=CC[N@H+](C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001752126812 1184822867 /nfs/dbraw/zinc/82/28/67/1184822867.db2.gz WGLUDZYMFCVUSG-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001752126812 1184822858 /nfs/dbraw/zinc/82/28/58/1184822858.db2.gz WGLUDZYMFCVUSG-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001753053791 1185023541 /nfs/dbraw/zinc/02/35/41/1185023541.db2.gz UKAVABYTHGUTPZ-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001753053791 1185023548 /nfs/dbraw/zinc/02/35/48/1185023548.db2.gz UKAVABYTHGUTPZ-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001754283650 1185550692 /nfs/dbraw/zinc/55/06/92/1185550692.db2.gz FZXLEBJSGYSPLZ-WFASDCNBSA-N 1 3 285.407 1.479 20 30 CDEDHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001754868201 1185753312 /nfs/dbraw/zinc/75/33/12/1185753312.db2.gz NIQTZANQMXQJLE-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001755165952 1185837770 /nfs/dbraw/zinc/83/77/70/1185837770.db2.gz UQYUBBJLTDDNOV-UONOGXRCSA-N 1 3 267.417 1.482 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001755165952 1185837778 /nfs/dbraw/zinc/83/77/78/1185837778.db2.gz UQYUBBJLTDDNOV-UONOGXRCSA-N 1 3 267.417 1.482 20 30 CDEDHO C#CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001755758420 1186059407 /nfs/dbraw/zinc/05/94/07/1186059407.db2.gz ZCFYMIJVIAZYBQ-AWEZNQCLSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001086711357 1163865214 /nfs/dbraw/zinc/86/52/14/1163865214.db2.gz IPMMQSRIFSEHGY-XHSDSOJGSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262439 1164303734 /nfs/dbraw/zinc/30/37/34/1164303734.db2.gz GZWQHDYRNLXXBZ-HUUCEWRRSA-N 1 3 279.428 1.226 20 30 CDEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796763 739774905 /nfs/dbraw/zinc/77/49/05/739774905.db2.gz WYWRXLWCFNXCGA-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC)C2)CC1 ZINC001072095460 739783403 /nfs/dbraw/zinc/78/34/03/739783403.db2.gz IPYVYUIBYQJYJK-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC)C2)CC1 ZINC001072095460 739783425 /nfs/dbraw/zinc/78/34/25/739783425.db2.gz IPYVYUIBYQJYJK-GOEBONIOSA-N 1 3 291.439 1.321 20 30 CDEDHO CC[NH+]1CCC(N2CCC(C(=O)NCCC#N)CC2)CC1 ZINC000847968948 739832330 /nfs/dbraw/zinc/83/23/30/739832330.db2.gz SWVNSJLQMGKAHF-UHFFFAOYSA-N 1 3 292.427 1.213 20 30 CDEDHO CCC#C[C@@H](C)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879594082 739853270 /nfs/dbraw/zinc/85/32/70/739853270.db2.gz XATRNUNAVUJBQF-OAHLLOKOSA-N 1 3 263.429 1.500 20 30 CDEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001021094542 740521951 /nfs/dbraw/zinc/52/19/51/740521951.db2.gz RUVKVNSRGDHONV-IHRRRGAJSA-N 1 3 299.846 1.850 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198749 740868488 /nfs/dbraw/zinc/86/84/88/740868488.db2.gz FYJDZENIKPKGDI-DOTOQJQBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001054198749 740868490 /nfs/dbraw/zinc/86/84/90/740868490.db2.gz FYJDZENIKPKGDI-DOTOQJQBSA-N 1 3 291.439 1.274 20 30 CDEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)NC1CC1 ZINC000848997171 741113704 /nfs/dbraw/zinc/11/37/04/741113704.db2.gz DPTZGFUUIAVTLI-LBPRGKRZSA-N 1 3 266.433 1.824 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000844653579 741492431 /nfs/dbraw/zinc/49/24/31/741492431.db2.gz LIGMCZXGJFTPIU-UHFFFAOYSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000844653579 741492432 /nfs/dbraw/zinc/49/24/32/741492432.db2.gz LIGMCZXGJFTPIU-UHFFFAOYSA-N 1 3 293.455 1.426 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996679914 741663565 /nfs/dbraw/zinc/66/35/65/741663565.db2.gz RJNPOIYFGJQWPY-OAHLLOKOSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644485 741912853 /nfs/dbraw/zinc/91/28/53/741912853.db2.gz DLNINEVTCCWTHT-NVXWUHKLSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041644485 741912858 /nfs/dbraw/zinc/91/28/58/741912858.db2.gz DLNINEVTCCWTHT-NVXWUHKLSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001017944524 739400168 /nfs/dbraw/zinc/40/01/68/739400168.db2.gz MAXFJAWVXAZYDC-JONQDZQNSA-N 1 3 291.439 1.435 20 30 CDEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001017944524 739400176 /nfs/dbraw/zinc/40/01/76/739400176.db2.gz MAXFJAWVXAZYDC-JONQDZQNSA-N 1 3 291.439 1.435 20 30 CDEDHO C#CCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860667 740617952 /nfs/dbraw/zinc/61/79/52/740617952.db2.gz KDXXZNLOLSDDEJ-ZBFHGGJFSA-N 1 3 262.397 1.585 20 30 CDEDHO C#CCOCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000851860667 740617958 /nfs/dbraw/zinc/61/79/58/740617958.db2.gz KDXXZNLOLSDDEJ-ZBFHGGJFSA-N 1 3 262.397 1.585 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993762653 740803316 /nfs/dbraw/zinc/80/33/16/740803316.db2.gz QUKQPMUSLGXDNG-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027453055 741041345 /nfs/dbraw/zinc/04/13/45/741041345.db2.gz YSSUJWOAOIGRNN-CABCVRRESA-N 1 3 279.428 1.129 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985646243 741199845 /nfs/dbraw/zinc/19/98/45/741199845.db2.gz JETGYXNNLZQMES-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985646243 741199850 /nfs/dbraw/zinc/19/98/50/741199850.db2.gz JETGYXNNLZQMES-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027602923 741986335 /nfs/dbraw/zinc/98/63/35/741986335.db2.gz BCQMZNRVUNNELN-MRXNPFEDSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457537 742619814 /nfs/dbraw/zinc/61/98/14/742619814.db2.gz UPAPAYBJMVAONJ-UHFFFAOYSA-N 1 3 291.439 1.583 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016136 742776601 /nfs/dbraw/zinc/77/66/01/742776601.db2.gz KFJLMMYNWUWYDK-UHFFFAOYSA-N 1 3 274.368 1.063 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016136 742776607 /nfs/dbraw/zinc/77/66/07/742776607.db2.gz KFJLMMYNWUWYDK-UHFFFAOYSA-N 1 3 274.368 1.063 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041678641 742793888 /nfs/dbraw/zinc/79/38/88/742793888.db2.gz JPBHWFUFZQRXIO-RDJZCZTQSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041678641 742793921 /nfs/dbraw/zinc/79/39/21/742793921.db2.gz JPBHWFUFZQRXIO-RDJZCZTQSA-N 1 3 291.439 1.581 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C)c1 ZINC000303890355 742804653 /nfs/dbraw/zinc/80/46/53/742804653.db2.gz QANMUNMCTIXFAC-MRXNPFEDSA-N 1 3 288.439 1.926 20 30 CDEDHO COCC[N@H+](C)CCCNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818953308 742804909 /nfs/dbraw/zinc/80/49/09/742804909.db2.gz FZOUJYVRJQJKGY-MRXNPFEDSA-N 1 3 291.395 1.150 20 30 CDEDHO COCC[N@@H+](C)CCCNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818953308 742804913 /nfs/dbraw/zinc/80/49/13/742804913.db2.gz FZOUJYVRJQJKGY-MRXNPFEDSA-N 1 3 291.395 1.150 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760079 914261136 /nfs/dbraw/zinc/26/11/36/914261136.db2.gz PQDLNXVQBXCYCN-HOTGVXAUSA-N 1 3 293.455 1.759 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207600947 901369712 /nfs/dbraw/zinc/36/97/12/901369712.db2.gz DZRMTMMHBRGEJJ-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207600947 901369724 /nfs/dbraw/zinc/36/97/24/901369724.db2.gz DZRMTMMHBRGEJJ-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2CC)CC1 ZINC001087840298 905898221 /nfs/dbraw/zinc/89/82/21/905898221.db2.gz QGBXVQMTYHGYTM-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2CC)CC1 ZINC001087840298 905898233 /nfs/dbraw/zinc/89/82/33/905898233.db2.gz QGBXVQMTYHGYTM-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001088327643 906905941 /nfs/dbraw/zinc/90/59/41/906905941.db2.gz SODKEQIIGYXNNH-HZPDHXFCSA-N 1 3 291.439 1.321 20 30 CDEDHO C#C[C@@](C)(CC)NC1CC[NH+](CCCOC)CC1 ZINC001172246577 911514872 /nfs/dbraw/zinc/51/48/72/911514872.db2.gz OEIBGEVMSXUSQR-HNNXBMFYSA-N 1 3 252.402 1.879 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183267883 918420040 /nfs/dbraw/zinc/42/00/40/918420040.db2.gz PQHXQLAKXVHFAZ-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001184061083 918854998 /nfs/dbraw/zinc/85/49/98/918854998.db2.gz CDXLGQXUWUXMDR-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168596037 919377020 /nfs/dbraw/zinc/37/70/20/919377020.db2.gz RAYRQUWDBSVECN-UHFFFAOYSA-N 1 3 267.417 1.228 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185548277 919649722 /nfs/dbraw/zinc/64/97/22/919649722.db2.gz LHLIQWBXXMSKBX-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001486247966 920838002 /nfs/dbraw/zinc/83/80/02/920838002.db2.gz QGDRDEYXRFUQFG-UONOGXRCSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675905 922130344 /nfs/dbraw/zinc/13/03/44/922130344.db2.gz ZTAHMCYSQBMGOR-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675905 922130357 /nfs/dbraw/zinc/13/03/57/922130357.db2.gz ZTAHMCYSQBMGOR-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197692680 925199096 /nfs/dbraw/zinc/19/90/96/925199096.db2.gz VYXZDUUSADORQG-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197692680 925199099 /nfs/dbraw/zinc/19/90/99/925199099.db2.gz VYXZDUUSADORQG-UHFFFAOYSA-N 1 3 267.417 1.439 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201321709 926263551 /nfs/dbraw/zinc/26/35/51/926263551.db2.gz UJKQVJLMJWTAHK-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085784337 926395165 /nfs/dbraw/zinc/39/51/65/926395165.db2.gz RJUXTFVCYLDSBH-JYJNAYRXSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085784337 926395170 /nfs/dbraw/zinc/39/51/70/926395170.db2.gz RJUXTFVCYLDSBH-JYJNAYRXSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086465719 927155904 /nfs/dbraw/zinc/15/59/04/927155904.db2.gz RISYJHIGLTZXIN-MQMHXKEQSA-N 1 3 299.846 1.565 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435101 937141880 /nfs/dbraw/zinc/14/18/80/937141880.db2.gz PTYMKIOMZHKUON-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435101 937141882 /nfs/dbraw/zinc/14/18/82/937141882.db2.gz PTYMKIOMZHKUON-BZUAXINKSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495647 928580108 /nfs/dbraw/zinc/58/01/08/928580108.db2.gz HLHFDNPKLSRNND-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717854 928615021 /nfs/dbraw/zinc/61/50/21/928615021.db2.gz WYTZJMUPAPYECB-KKUMJFAQSA-N 1 3 291.439 1.319 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803043 928637975 /nfs/dbraw/zinc/63/79/75/928637975.db2.gz UUNVWIABPJRLDS-XHSDSOJGSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H](C)CC)CC1 ZINC001152324390 937353666 /nfs/dbraw/zinc/35/36/66/937353666.db2.gz TXHLPGCBDWGCBL-AWEZNQCLSA-N 1 3 279.428 1.084 20 30 CDEDHO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135476990 930225794 /nfs/dbraw/zinc/22/57/94/930225794.db2.gz PHFKWIWJEWVLLF-LSDHHAIUSA-N 1 3 293.455 1.615 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135511693 930241870 /nfs/dbraw/zinc/24/18/70/930241870.db2.gz YYXUNGICNBOZBT-ZDUSSCGKSA-N 1 3 255.406 1.389 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091035792 931733948 /nfs/dbraw/zinc/73/39/48/931733948.db2.gz IRKHEBAACGBRQK-BLYZHGLHSA-N 1 3 299.846 1.564 20 30 CDEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091035792 931733950 /nfs/dbraw/zinc/73/39/50/931733950.db2.gz IRKHEBAACGBRQK-BLYZHGLHSA-N 1 3 299.846 1.564 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001091058799 931774316 /nfs/dbraw/zinc/77/43/16/931774316.db2.gz UYDHMPRWZMIXPY-YMAMQOFZSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580121 937560030 /nfs/dbraw/zinc/56/00/30/937560030.db2.gz PRTJXDKUOYXFPI-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580121 937560033 /nfs/dbraw/zinc/56/00/33/937560033.db2.gz PRTJXDKUOYXFPI-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909166 937603525 /nfs/dbraw/zinc/60/35/25/937603525.db2.gz LUXIEZMJSPKSNC-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO CC#CC[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001276237041 932673787 /nfs/dbraw/zinc/67/37/87/932673787.db2.gz DVYJVKGRGGNWFY-OAHLLOKOSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148844482 932797086 /nfs/dbraw/zinc/79/70/86/932797086.db2.gz NPHXFGNEMRPZOF-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148844482 932797090 /nfs/dbraw/zinc/79/70/90/932797090.db2.gz NPHXFGNEMRPZOF-UHFFFAOYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C[C@H](O)CN1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001253577716 935236177 /nfs/dbraw/zinc/23/61/77/935236177.db2.gz YBMGQLRIUSKAQH-IHRRRGAJSA-N 1 3 278.421 1.659 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001121924253 937890999 /nfs/dbraw/zinc/89/09/99/937890999.db2.gz YYCQNDXWEMHEKD-RDBSUJKOSA-N 1 3 267.417 1.659 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677156 939625628 /nfs/dbraw/zinc/62/56/28/939625628.db2.gz GCEGKEFRBRGMDE-CQSZACIVSA-N 1 3 267.417 1.390 20 30 CDEDHO C=CCOCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764432 939637736 /nfs/dbraw/zinc/63/77/36/939637736.db2.gz CQUXTPFJVDPBKU-UHFFFAOYSA-N 1 3 297.443 1.017 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203516294 939690225 /nfs/dbraw/zinc/69/02/25/939690225.db2.gz XJWSSIJUUHMJEG-KBPBESRZSA-N 1 3 279.428 1.531 20 30 CDEDHO CC[NH+]1CCC(CN2CCN(CCC#N)CC2)CC1 ZINC001207185638 940165080 /nfs/dbraw/zinc/16/50/80/940165080.db2.gz RGWQAHVMLCACRH-UHFFFAOYSA-N 1 3 264.417 1.250 20 30 CDEDHO C#CCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001209267794 940454656 /nfs/dbraw/zinc/45/46/56/940454656.db2.gz KGPFZHLZHTVCEL-UHFFFAOYSA-N 1 3 264.413 1.975 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642969 940622567 /nfs/dbraw/zinc/62/25/67/940622567.db2.gz QUZWPGDIVDWBID-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659526 940624926 /nfs/dbraw/zinc/62/49/26/940624926.db2.gz FVVLYPINHLTIDU-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccsc2)C1 ZINC001210314973 940682534 /nfs/dbraw/zinc/68/25/34/940682534.db2.gz HMQWNAFKCKDQCX-DGCLKSJQSA-N 1 3 278.377 1.197 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccsc2)C1 ZINC001210314973 940682537 /nfs/dbraw/zinc/68/25/37/940682537.db2.gz HMQWNAFKCKDQCX-DGCLKSJQSA-N 1 3 278.377 1.197 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210315477 940682738 /nfs/dbraw/zinc/68/27/38/940682738.db2.gz NYXXJDYXSBXWCV-HOCLYGCPSA-N 1 3 280.412 1.960 20 30 CDEDHO Cc1coc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c1C#N ZINC001218764992 941268375 /nfs/dbraw/zinc/26/83/75/941268375.db2.gz QCHDKSFKTMMGNK-LBPRGKRZSA-N 1 3 278.356 1.457 20 30 CDEDHO C#Cc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1F ZINC001219384117 941338044 /nfs/dbraw/zinc/33/80/44/941338044.db2.gz JIFJSUXQZABUNY-AWEZNQCLSA-N 1 3 275.327 1.072 20 30 CDEDHO [NH3+][C@H](Cc1ccccc1)CN1CCC2SC(=O)C=C2C1 ZINC001235468785 944165291 /nfs/dbraw/zinc/16/52/91/944165291.db2.gz SVKSZSKPXGKRJC-HUUCEWRRSA-N 1 3 288.416 1.831 20 30 CDEDHO CN1CC=C(c2ccc(N3CC[NH2+]CC3)c(C#N)c2)CC1 ZINC001241323098 946218656 /nfs/dbraw/zinc/21/86/56/946218656.db2.gz YSORGKNPPZQQKA-UHFFFAOYSA-N 1 3 282.391 1.687 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001340669844 963063248 /nfs/dbraw/zinc/06/32/48/963063248.db2.gz AOUGHCPQHXCZPJ-JKSUJKDBSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001340669844 963063263 /nfs/dbraw/zinc/06/32/63/963063263.db2.gz AOUGHCPQHXCZPJ-JKSUJKDBSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001343372794 963961724 /nfs/dbraw/zinc/96/17/24/963961724.db2.gz YSQBEOLSMHWEKX-OAHLLOKOSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001343489914 964007537 /nfs/dbraw/zinc/00/75/37/964007537.db2.gz ZNOZOYFLJIFLJD-MROQNXINSA-N 1 3 253.390 1.173 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200794756 968920141 /nfs/dbraw/zinc/92/01/41/968920141.db2.gz FJNWTFXLQBZPGQ-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001357443481 969588888 /nfs/dbraw/zinc/58/88/88/969588888.db2.gz BDFUKLNVEUACJW-GXTWGEPZSA-N 1 3 253.390 1.176 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001574851577 1171015249 /nfs/dbraw/zinc/01/52/49/1171015249.db2.gz HUFADDVWZPBHJP-QWRGUYRKSA-N 1 3 259.781 1.009 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001574851577 1171015257 /nfs/dbraw/zinc/01/52/57/1171015257.db2.gz HUFADDVWZPBHJP-QWRGUYRKSA-N 1 3 259.781 1.009 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001574852048 1171025456 /nfs/dbraw/zinc/02/54/56/1171025456.db2.gz OCCJWZYRQBDRNT-RYUDHWBXSA-N 1 3 273.808 1.399 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC001574852048 1171025464 /nfs/dbraw/zinc/02/54/64/1171025464.db2.gz OCCJWZYRQBDRNT-RYUDHWBXSA-N 1 3 273.808 1.399 20 30 CDEDHO C[C@H](CCC#N)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000589820286 342514332 /nfs/dbraw/zinc/51/43/32/342514332.db2.gz KKPJBMDHRBBDOV-MRXNPFEDSA-N 1 3 278.444 1.640 20 30 CDEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(C#N)n1 ZINC000602587952 342182035 /nfs/dbraw/zinc/18/20/35/342182035.db2.gz JWAHMDBTJUIMHU-HNNXBMFYSA-N 1 3 276.384 1.400 20 30 CDEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)nc1 ZINC000594583041 342921235 /nfs/dbraw/zinc/92/12/35/342921235.db2.gz RPSUHKLCFQDSTR-HOCLYGCPSA-N 1 3 299.422 1.782 20 30 CDEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[NH+](C)C ZINC000602505097 344457448 /nfs/dbraw/zinc/45/74/48/344457448.db2.gz PMRCKKARJFBXBT-ZDUSSCGKSA-N 1 3 253.390 1.627 20 30 CDEDHO CC(C)(O)CN1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000602507662 350115812 /nfs/dbraw/zinc/11/58/12/350115812.db2.gz GJCJVQCZWGMCSB-UHFFFAOYSA-N 1 3 287.407 1.883 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC000573109036 365091962 /nfs/dbraw/zinc/09/19/62/365091962.db2.gz VYUPOQQQSLKJGP-GOSISDBHSA-N 1 3 298.434 1.864 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000573109036 365091971 /nfs/dbraw/zinc/09/19/71/365091971.db2.gz VYUPOQQQSLKJGP-GOSISDBHSA-N 1 3 298.434 1.864 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CCC[C@@H](C)C1 ZINC000249855908 261258737 /nfs/dbraw/zinc/25/87/37/261258737.db2.gz DDBMWWNWCPSALE-HZSPNIEDSA-N 1 3 282.432 1.190 20 30 CDEDHO C=C(CC)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000568363230 371220271 /nfs/dbraw/zinc/22/02/71/371220271.db2.gz AKODLLRTAFSTSZ-UHFFFAOYSA-N 1 3 270.421 1.087 20 30 CDEDHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000414911955 374222475 /nfs/dbraw/zinc/22/24/75/374222475.db2.gz HKFAMGPBDGHXGM-ZIAGYGMSSA-N 1 3 259.353 1.926 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000420331419 376328706 /nfs/dbraw/zinc/32/87/06/376328706.db2.gz QTMVSCWFVNXRSV-KKUMJFAQSA-N 1 3 277.412 1.095 20 30 CDEDHO C#Cc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000290202017 378367273 /nfs/dbraw/zinc/36/72/73/378367273.db2.gz DADUFARASLBALF-UHFFFAOYSA-N 1 3 286.419 1.993 20 30 CDEDHO CN(C)CCN(C)CCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000339206729 391269500 /nfs/dbraw/zinc/26/95/00/391269500.db2.gz XFNGDHYTVKHJAS-LSDHHAIUSA-N 1 3 266.433 1.494 20 30 CDEDHO CN(C)CCN(C)CCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000339206729 391269503 /nfs/dbraw/zinc/26/95/03/391269503.db2.gz XFNGDHYTVKHJAS-LSDHHAIUSA-N 1 3 266.433 1.494 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000345855253 391320170 /nfs/dbraw/zinc/32/01/70/391320170.db2.gz WTKJYPYJBBGRSQ-CHWSQXEVSA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000345855253 391320173 /nfs/dbraw/zinc/32/01/73/391320173.db2.gz WTKJYPYJBBGRSQ-CHWSQXEVSA-N 1 3 251.374 1.917 20 30 CDEDHO C=C(C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000334363633 392109104 /nfs/dbraw/zinc/10/91/04/392109104.db2.gz LWBFPSINAKAPPS-CABCVRRESA-N 1 3 251.418 1.520 20 30 CDEDHO N#Cc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000094070434 147076605 /nfs/dbraw/zinc/07/66/05/147076605.db2.gz OXDPNZVRESSDKL-UHFFFAOYSA-N 1 3 273.380 1.888 20 30 CDEDHO CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001671804351 1173714268 /nfs/dbraw/zinc/71/42/68/1173714268.db2.gz AHQGUUPMVIJSID-NVXWUHKLSA-N 1 3 293.455 1.424 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262432003 330010152 /nfs/dbraw/zinc/01/01/52/330010152.db2.gz SPAYPZHXLJWMHL-NEPJUHHUSA-N 1 3 270.446 1.271 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262380002 330011694 /nfs/dbraw/zinc/01/16/94/330011694.db2.gz GVPAXLXFLOHIHR-NWDGAFQWSA-N 1 3 288.386 1.810 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000263154250 330046345 /nfs/dbraw/zinc/04/63/45/330046345.db2.gz MOAGURMEFUTSTE-AAVRWANBSA-N 1 3 296.459 1.435 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263290165 330051822 /nfs/dbraw/zinc/05/18/22/330051822.db2.gz VOPSKJYHESLRAZ-GOEBONIOSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263290166 330051829 /nfs/dbraw/zinc/05/18/29/330051829.db2.gz VOPSKJYHESLRAZ-HOCLYGCPSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423372991 330195410 /nfs/dbraw/zinc/19/54/10/330195410.db2.gz GOAZJINXQGWSOR-GXTWGEPZSA-N 1 3 267.417 1.372 20 30 CDEDHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424060179 330218791 /nfs/dbraw/zinc/21/87/91/330218791.db2.gz PKJICUZKYXUCCM-ZDUSSCGKSA-N 1 3 274.368 1.756 20 30 CDEDHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](N)CCCC#N ZINC000424134341 330266605 /nfs/dbraw/zinc/26/66/05/330266605.db2.gz NJSJEBWGQOPYOF-QWHCGFSZSA-N 1 3 268.405 1.100 20 30 CDEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424137730 330274925 /nfs/dbraw/zinc/27/49/25/330274925.db2.gz SLFAGGZTKKLQCU-RBSFLKMASA-N 1 3 294.443 1.492 20 30 CDEDHO C[NH+](C)C1(CNC(=O)[C@@H](N)CCCC#N)CCCCCC1 ZINC000424145590 330291534 /nfs/dbraw/zinc/29/15/34/330291534.db2.gz ZDDRVPSIUMVSKW-AWEZNQCLSA-N 1 3 294.443 1.778 20 30 CDEDHO C#CCN(C)CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000491209475 332166264 /nfs/dbraw/zinc/16/62/64/332166264.db2.gz HSKKXZNTDFBJTP-UHFFFAOYSA-N 1 3 277.456 1.938 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491795744 332354922 /nfs/dbraw/zinc/35/49/22/332354922.db2.gz WVKHCFMIDPKDDT-CABCVRRESA-N 1 3 294.443 1.114 20 30 CDEDHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001715532765 1179704085 /nfs/dbraw/zinc/70/40/85/1179704085.db2.gz XAZPDSXEZNMGOR-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001715532765 1179704090 /nfs/dbraw/zinc/70/40/90/1179704090.db2.gz XAZPDSXEZNMGOR-CQSZACIVSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753852893 1185360644 /nfs/dbraw/zinc/36/06/44/1185360644.db2.gz DNNQGIFHHQHOQM-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001753852893 1185360653 /nfs/dbraw/zinc/36/06/53/1185360653.db2.gz DNNQGIFHHQHOQM-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C#CCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000766894765 576143192 /nfs/dbraw/zinc/14/31/92/576143192.db2.gz GRCLXXUVMXTGME-IAGOWNOFSA-N 1 3 277.456 1.890 20 30 CDEDHO CCN1CCC(=NNC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000741464901 576560085 /nfs/dbraw/zinc/56/00/85/576560085.db2.gz WLTOYRVEXIMXHM-LBPRGKRZSA-N 1 3 299.488 1.120 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968989297 613348781 /nfs/dbraw/zinc/34/87/81/613348781.db2.gz HRCHNLLEVHIJMN-KGLIPLIRSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972154959 613614914 /nfs/dbraw/zinc/61/49/14/613614914.db2.gz RFJPIXRRSZYOOC-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972154959 613614917 /nfs/dbraw/zinc/61/49/17/613614917.db2.gz RFJPIXRRSZYOOC-HZPDHXFCSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779638 613700840 /nfs/dbraw/zinc/70/08/40/613700840.db2.gz QPNRUBPLMPPCFD-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC000948779638 613700841 /nfs/dbraw/zinc/70/08/41/613700841.db2.gz QPNRUBPLMPPCFD-JKSUJKDBSA-N 1 3 293.455 1.827 20 30 CDEDHO CCn1ccnc1C(C#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001649246320 1158989290 /nfs/dbraw/zinc/98/92/90/1158989290.db2.gz BAMKBKNDRVYHAH-CQSZACIVSA-N 1 3 286.379 1.954 20 30 CDEDHO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001754284099 1159073750 /nfs/dbraw/zinc/07/37/50/1159073750.db2.gz ZDDKCAAUHUXBKC-XJKSGUPXSA-N 1 3 299.434 1.869 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135578 1163579795 /nfs/dbraw/zinc/57/97/95/1163579795.db2.gz UHKNGOWWGZFRHT-KGLIPLIRSA-N 1 3 290.411 1.603 20 30 CDEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3C[C@H](N)C3)CC2)cc1 ZINC001580067009 1172340553 /nfs/dbraw/zinc/34/05/53/1172340553.db2.gz CMDJDRGSCKZYKB-CTYIDZIISA-N 1 3 270.380 1.606 20 30 CDEDHO N#Cc1ccc(N2CCC(N[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001580067009 1172340558 /nfs/dbraw/zinc/34/05/58/1172340558.db2.gz CMDJDRGSCKZYKB-CTYIDZIISA-N 1 3 270.380 1.606 20 30 CDEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001690128025 1175382792 /nfs/dbraw/zinc/38/27/92/1175382792.db2.gz IRDDBHMLQLDYMQ-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001717742767 1180821083 /nfs/dbraw/zinc/82/10/83/1180821083.db2.gz QEHXCPWPSFMJBL-CHWSQXEVSA-N 1 3 255.406 1.195 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001753232017 1182245403 /nfs/dbraw/zinc/24/54/03/1182245403.db2.gz HIXCDCKUKUEBQC-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001752979871 1184982528 /nfs/dbraw/zinc/98/25/28/1184982528.db2.gz GYJSOGLHAXYSFV-UONOGXRCSA-N 1 3 290.411 1.854 20 30 CDEDHO C=CCN(C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001753074164 1185041398 /nfs/dbraw/zinc/04/13/98/1185041398.db2.gz BHXCPLVERORQFE-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001754267814 1185541017 /nfs/dbraw/zinc/54/10/17/1185541017.db2.gz YOHJTAQMSGJVOL-GJZGRUSLSA-N 1 3 281.444 1.920 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755046162 1185800247 /nfs/dbraw/zinc/80/02/47/1185800247.db2.gz WOOYSIIDKIUCHA-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755046162 1185800255 /nfs/dbraw/zinc/80/02/55/1185800255.db2.gz WOOYSIIDKIUCHA-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001755748183 1186055869 /nfs/dbraw/zinc/05/58/69/1186055869.db2.gz RSMFHXZHGRFQBO-KBPBESRZSA-N 1 3 290.411 1.711 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC001340063566 962722008 /nfs/dbraw/zinc/72/20/08/962722008.db2.gz PLKYYQZBMFUEMI-CYBMUJFWSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050183508 743033877 /nfs/dbraw/zinc/03/38/77/743033877.db2.gz DFHKQHVCSRDMSO-LSDHHAIUSA-N 1 3 289.423 1.191 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036054215 743065232 /nfs/dbraw/zinc/06/52/32/743065232.db2.gz JXPIUDPCEQJUAK-DZGCQCFKSA-N 1 3 279.428 1.483 20 30 CDEDHO C[C@H](C[NH+]=C(N(C)C)N(C)C)N1CCC[C@@H](C)C1 ZINC000261987802 743238576 /nfs/dbraw/zinc/23/85/76/743238576.db2.gz KQGMUVXWIZZKNV-CHWSQXEVSA-N 1 3 254.422 1.586 20 30 CDEDHO CC(C)N1CCC[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000930702511 743313913 /nfs/dbraw/zinc/31/39/13/743313913.db2.gz GNGBZLRRDINRKN-OAHLLOKOSA-N 1 3 294.443 1.553 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)CC1(C)C ZINC000996669474 743323028 /nfs/dbraw/zinc/32/30/28/743323028.db2.gz GAKQBEBWIFIQNO-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027970348 743597304 /nfs/dbraw/zinc/59/73/04/743597304.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001027970348 743597328 /nfs/dbraw/zinc/59/73/28/743597328.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970348 743597340 /nfs/dbraw/zinc/59/73/40/743597340.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970348 743597402 /nfs/dbraw/zinc/59/74/02/743597402.db2.gz ARWOGUGWWUZRFU-CABCVRRESA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028591163 745001787 /nfs/dbraw/zinc/00/17/87/745001787.db2.gz FJUJSBHUQVJTRR-CVEARBPZSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028591163 745001795 /nfs/dbraw/zinc/00/17/95/745001795.db2.gz FJUJSBHUQVJTRR-CVEARBPZSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000985145096 745072649 /nfs/dbraw/zinc/07/26/49/745072649.db2.gz FZAMINQUFBZPKV-KOMQPUFPSA-N 1 3 291.439 1.224 20 30 CDEDHO C=C(C)C[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001026561400 745086537 /nfs/dbraw/zinc/08/65/37/745086537.db2.gz ZERQTBMXLDNXLN-QQFBHYJXSA-N 1 3 293.455 1.921 20 30 CDEDHO CC#CC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050669149 745255377 /nfs/dbraw/zinc/25/53/77/745255377.db2.gz SKDDTUBRQIOGQK-HNNXBMFYSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001019823259 745571632 /nfs/dbraw/zinc/57/16/32/745571632.db2.gz GABONNOAFUJSNQ-JKSUJKDBSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200650 745634801 /nfs/dbraw/zinc/63/48/01/745634801.db2.gz UPASYLPAXCINJX-TZMCWYRMSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072981304 745857902 /nfs/dbraw/zinc/85/79/02/745857902.db2.gz CYACRSJZMXZBSF-AWEZNQCLSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072981304 745857904 /nfs/dbraw/zinc/85/79/04/745857904.db2.gz CYACRSJZMXZBSF-AWEZNQCLSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693718 746038640 /nfs/dbraw/zinc/03/86/40/746038640.db2.gz HTHMYZHHIUHGDQ-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693718 746038646 /nfs/dbraw/zinc/03/86/46/746038646.db2.gz HTHMYZHHIUHGDQ-HOTGVXAUSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001074878314 746335926 /nfs/dbraw/zinc/33/59/26/746335926.db2.gz MVKIEXBYVNFTJR-KKUMJFAQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359146 746472874 /nfs/dbraw/zinc/47/28/74/746472874.db2.gz VFVRAKGFEBKUTD-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359146 746472890 /nfs/dbraw/zinc/47/28/90/746472890.db2.gz VFVRAKGFEBKUTD-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO CCCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000203011808 746693538 /nfs/dbraw/zinc/69/35/38/746693538.db2.gz NNQXEVUDQCAILI-TZMCWYRMSA-N 1 3 254.422 1.811 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000303897923 747098362 /nfs/dbraw/zinc/09/83/62/747098362.db2.gz QVIQVQCYJWNYOF-QWHCGFSZSA-N 1 3 254.422 1.954 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996667094 747284546 /nfs/dbraw/zinc/28/45/46/747284546.db2.gz WXSNYRXYFBGXAM-UHFFFAOYSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001000098141 748029110 /nfs/dbraw/zinc/02/91/10/748029110.db2.gz BGAMOGQTIPMQLU-UONOGXRCSA-N 1 3 267.417 1.339 20 30 CDEDHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCC#N)cc1 ZINC000817965906 748299003 /nfs/dbraw/zinc/29/90/03/748299003.db2.gz WWKQOFUCEAIRCT-XHDPSFHLSA-N 1 3 259.353 1.977 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987055384 748392812 /nfs/dbraw/zinc/39/28/12/748392812.db2.gz BTCUTLDEPBGOGN-DGCLKSJQSA-N 1 3 262.357 1.107 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304706549 748548204 /nfs/dbraw/zinc/54/82/04/748548204.db2.gz KWYPKWOCVBODFK-STQMWFEESA-N 1 3 284.448 1.436 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518874 748880433 /nfs/dbraw/zinc/88/04/33/748880433.db2.gz BANLPGAXXYDLGM-OAHLLOKOSA-N 1 3 291.439 1.417 20 30 CDEDHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)CC#N)CC1 ZINC000809576753 748894738 /nfs/dbraw/zinc/89/47/38/748894738.db2.gz QUMXCPMGDXVIEA-MRXNPFEDSA-N 1 3 297.443 1.331 20 30 CDEDHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)CC#N)CC1 ZINC000809576753 748894741 /nfs/dbraw/zinc/89/47/41/748894741.db2.gz QUMXCPMGDXVIEA-MRXNPFEDSA-N 1 3 297.443 1.331 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579540 902654438 /nfs/dbraw/zinc/65/44/38/902654438.db2.gz GVDADPHLFKXYLU-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579540 902654444 /nfs/dbraw/zinc/65/44/44/902654444.db2.gz GVDADPHLFKXYLU-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203438022 905301155 /nfs/dbraw/zinc/30/11/55/905301155.db2.gz ZMUDUICWQHJRPG-UHFFFAOYSA-N 1 3 253.390 1.095 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799372 905857216 /nfs/dbraw/zinc/85/72/16/905857216.db2.gz QTDVSGSKADAZDF-UONOGXRCSA-N 1 3 277.412 1.237 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001568139381 1169146526 /nfs/dbraw/zinc/14/65/26/1169146526.db2.gz VWIRIDGUPNPGAQ-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189890984 921736342 /nfs/dbraw/zinc/73/63/42/921736342.db2.gz MLEZZPQQAOEGFM-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189890984 921736351 /nfs/dbraw/zinc/73/63/51/921736351.db2.gz MLEZZPQQAOEGFM-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609680 915904323 /nfs/dbraw/zinc/90/43/23/915904323.db2.gz XOZNNCWVUJMVMM-HNNXBMFYSA-N 1 3 281.444 1.616 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185751020 919754959 /nfs/dbraw/zinc/75/49/59/919754959.db2.gz NOHPEOKZQLTCQP-HZPDHXFCSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203027224 936706002 /nfs/dbraw/zinc/70/60/02/936706002.db2.gz DAICHZOAPFBKLR-UONOGXRCSA-N 1 3 289.423 1.121 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190897983 922284888 /nfs/dbraw/zinc/28/48/88/922284888.db2.gz AIMMRKSMTGJAGQ-HUUCEWRRSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001190897983 922284902 /nfs/dbraw/zinc/28/49/02/922284902.db2.gz AIMMRKSMTGJAGQ-HUUCEWRRSA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193290644 923590473 /nfs/dbraw/zinc/59/04/73/923590473.db2.gz CPTDRQNBKQMOLM-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193290644 923590489 /nfs/dbraw/zinc/59/04/89/923590489.db2.gz CPTDRQNBKQMOLM-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193630987 923819290 /nfs/dbraw/zinc/81/92/90/923819290.db2.gz QVKIGSWMXLJKMC-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193630987 923819296 /nfs/dbraw/zinc/81/92/96/923819296.db2.gz QVKIGSWMXLJKMC-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCCN(C)C ZINC001273712427 924814306 /nfs/dbraw/zinc/81/43/06/924814306.db2.gz VSZXJHBXASVHIB-QGZVFWFLSA-N 1 3 293.455 1.971 20 30 CDEDHO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCN(C)C ZINC001273712427 924814314 /nfs/dbraw/zinc/81/43/14/924814314.db2.gz VSZXJHBXASVHIB-QGZVFWFLSA-N 1 3 293.455 1.971 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330237 937052977 /nfs/dbraw/zinc/05/29/77/937052977.db2.gz KFCAQZRDUATIEA-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330237 937052980 /nfs/dbraw/zinc/05/29/80/937052980.db2.gz KFCAQZRDUATIEA-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201239719 926226596 /nfs/dbraw/zinc/22/65/96/926226596.db2.gz MBHATKCCKMZRRT-CQSZACIVSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475735 930227217 /nfs/dbraw/zinc/22/72/17/930227217.db2.gz FVAPXOWTMJGHIH-KBPBESRZSA-N 1 3 281.444 1.470 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667257 930454190 /nfs/dbraw/zinc/45/41/90/930454190.db2.gz GMTVWZUCRSMOOS-UHFFFAOYSA-N 1 3 276.384 1.499 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824366 937474348 /nfs/dbraw/zinc/47/43/48/937474348.db2.gz ROWKKFWFKVVAJP-HIFRSBDPSA-N 1 3 279.428 1.177 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001091058579 931773841 /nfs/dbraw/zinc/77/38/41/931773841.db2.gz RXUUHVODYMMSBQ-GPANFISMSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171254556 932144257 /nfs/dbraw/zinc/14/42/57/932144257.db2.gz UJFKYEAMBYMEJK-UKRRQHHQSA-N 1 3 281.444 1.777 20 30 CDEDHO C[C@@H]1CC[C@H](N2CCC3SC(=O)C=C3C2)C[NH2+]1 ZINC001246695845 932208835 /nfs/dbraw/zinc/20/88/35/932208835.db2.gz QSKVWCOZOXXTFJ-USWWRNFRSA-N 1 3 252.383 1.401 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180904 937645296 /nfs/dbraw/zinc/64/52/96/937645296.db2.gz WAGNMCWZZQLLGK-CVEARBPZSA-N 1 3 295.471 1.957 20 30 CDEDHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N(C)C ZINC001120580487 937813220 /nfs/dbraw/zinc/81/32/20/937813220.db2.gz AYGUQNXAQNZWQC-DZGCQCFKSA-N 1 3 291.395 1.228 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096538308 936149005 /nfs/dbraw/zinc/14/90/05/936149005.db2.gz FEVLCCLWTACSHV-XGUBFFRZSA-N 1 3 277.412 1.236 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096538308 936149006 /nfs/dbraw/zinc/14/90/06/936149006.db2.gz FEVLCCLWTACSHV-XGUBFFRZSA-N 1 3 277.412 1.236 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001122426648 937931173 /nfs/dbraw/zinc/93/11/73/937931173.db2.gz LGAFKUQAVMLDFM-SDDRHHMPSA-N 1 3 251.374 1.056 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475853 938372098 /nfs/dbraw/zinc/37/20/98/938372098.db2.gz VEOVEWHTPMUHQK-OAHLLOKOSA-N 1 3 281.444 1.568 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156672540 938404456 /nfs/dbraw/zinc/40/44/56/938404456.db2.gz SGHJOBGKQPCECC-CQSZACIVSA-N 1 3 267.417 1.295 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156672540 938404457 /nfs/dbraw/zinc/40/44/57/938404457.db2.gz SGHJOBGKQPCECC-CQSZACIVSA-N 1 3 267.417 1.295 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158072978 938580212 /nfs/dbraw/zinc/58/02/12/938580212.db2.gz FPGIPXVCONPOAZ-UHFFFAOYSA-N 1 3 267.417 1.533 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915771 938760044 /nfs/dbraw/zinc/76/00/44/938760044.db2.gz NQSBCOOEVINGPV-DZGCQCFKSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931442 938761129 /nfs/dbraw/zinc/76/11/29/938761129.db2.gz CQSRWWPLDMIXNN-AWEZNQCLSA-N 1 3 267.417 1.389 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883895 938837425 /nfs/dbraw/zinc/83/74/25/938837425.db2.gz YFEWDEQZORLGQE-LLVKDONJSA-N 1 3 261.797 1.175 20 30 CDEDHO C=CC(=NCOC)NCC1CC[NH+](C(C)C)CC1 ZINC001166603983 939618393 /nfs/dbraw/zinc/61/83/93/939618393.db2.gz PIYJKXZCOIXZNW-UHFFFAOYSA-N 1 3 253.390 1.885 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288419 940012551 /nfs/dbraw/zinc/01/25/51/940012551.db2.gz QSLKNKYDYUTXKA-UHFFFAOYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001206954438 940117366 /nfs/dbraw/zinc/11/73/66/940117366.db2.gz JFWQRNDNFNHASS-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001208013678 940278996 /nfs/dbraw/zinc/27/89/96/940278996.db2.gz JAZIVAVBKKXGQV-JKSUJKDBSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837640 940645791 /nfs/dbraw/zinc/64/57/91/940645791.db2.gz QJBYBXFPZAWFAB-ZIAGYGMSSA-N 1 3 290.411 1.888 20 30 CDEDHO C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217934055 941030299 /nfs/dbraw/zinc/03/02/99/941030299.db2.gz RPQWUJPKGMTUEZ-JHJVBQTASA-N 1 3 254.374 1.424 20 30 CDEDHO N#C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001219557452 941354927 /nfs/dbraw/zinc/35/49/27/941354927.db2.gz AKBVGAJJWMYYQL-GJZGRUSLSA-N 1 3 298.390 1.242 20 30 CDEDHO N#C[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001219557452 941354932 /nfs/dbraw/zinc/35/49/32/941354932.db2.gz AKBVGAJJWMYYQL-GJZGRUSLSA-N 1 3 298.390 1.242 20 30 CDEDHO N#Cc1cccc(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222086523 941561459 /nfs/dbraw/zinc/56/14/59/941561459.db2.gz ZUWICWLEKWZTJJ-UHFFFAOYSA-N 1 3 270.380 1.086 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472361 941679962 /nfs/dbraw/zinc/67/99/62/941679962.db2.gz OUFKZGFPNJZTGP-UHFFFAOYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227157969 942142640 /nfs/dbraw/zinc/14/26/40/942142640.db2.gz AITHEXDTSGXNPU-ZIAGYGMSSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001316617375 942660993 /nfs/dbraw/zinc/66/09/93/942660993.db2.gz HAIZEXZISGNWSM-MJBXVCDLSA-N 1 3 267.417 1.243 20 30 CDEDHO C=CC[NH2+]CCN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001235841083 944292213 /nfs/dbraw/zinc/29/22/13/944292213.db2.gz ULZKKEMQYPQQOE-IRXDYDNUSA-N 1 3 271.408 1.721 20 30 CDEDHO N#Cc1cc(-c2cc(N)ccn2)cc(C2C[NH2+]C2)c1 ZINC001240335503 945792383 /nfs/dbraw/zinc/79/23/83/945792383.db2.gz DBWSSIWVAVMTFK-UHFFFAOYSA-N 1 3 250.305 1.889 20 30 CDEDHO C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246466590 948188138 /nfs/dbraw/zinc/18/81/38/948188138.db2.gz PIKUSOGXNDXEOU-DZGCQCFKSA-N 1 3 295.427 1.751 20 30 CDEDHO C=C[C@](C)(O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001252579250 951471453 /nfs/dbraw/zinc/47/14/53/951471453.db2.gz KSCDTRDFBKXYKZ-INIZCTEOSA-N 1 3 282.428 1.404 20 30 CDEDHO C=C[C@](C)(O)CNC1CC[NH+](CC2CCOCC2)CC1 ZINC001252579250 951471456 /nfs/dbraw/zinc/47/14/56/951471456.db2.gz KSCDTRDFBKXYKZ-INIZCTEOSA-N 1 3 282.428 1.404 20 30 CDEDHO CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CNCCO1 ZINC001341942775 963585433 /nfs/dbraw/zinc/58/54/33/963585433.db2.gz IRYDGDKRAFKFQP-KGLIPLIRSA-N 1 3 285.432 1.169 20 30 CDEDHO N#CCCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001344590475 964373259 /nfs/dbraw/zinc/37/32/59/964373259.db2.gz NCMAXEICDILCEO-LBPRGKRZSA-N 1 3 258.325 1.249 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444321915 965795775 /nfs/dbraw/zinc/79/57/75/965795775.db2.gz KIOWQUVZKUTUFK-NSHDSACASA-N 1 3 287.835 1.565 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100677179 968930928 /nfs/dbraw/zinc/93/09/28/968930928.db2.gz ZSPYWIBKPPTDEI-WLYUNCDWSA-N 1 3 279.428 1.531 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678760 968933307 /nfs/dbraw/zinc/93/33/07/968933307.db2.gz VYJMKKMYSDDKBZ-FHERZECASA-N 1 3 293.455 1.779 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001521482420 970302605 /nfs/dbraw/zinc/30/26/05/970302605.db2.gz MFZUYSKJMKKCMF-MJBXVCDLSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419552 1163685196 /nfs/dbraw/zinc/68/51/96/1163685196.db2.gz RTEJXAZUXTUGPP-UONOGXRCSA-N 1 3 269.433 1.633 20 30 CDEDHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H](O)CC1(C#N)CCC1 ZINC001575452071 1171176400 /nfs/dbraw/zinc/17/64/00/1171176400.db2.gz BWQBXHOSEPYWRE-UONOGXRCSA-N 1 3 267.417 1.736 20 30 CDEDHO C=CCNC(=[NH2+])NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000081781015 342373727 /nfs/dbraw/zinc/37/37/27/342373727.db2.gz DPQWAGVPAREKPJ-CQSZACIVSA-N 1 3 274.412 1.987 20 30 CDEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598719850 343883047 /nfs/dbraw/zinc/88/30/47/343883047.db2.gz KAJKELSYPWMAKE-HUUCEWRRSA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598719850 343883048 /nfs/dbraw/zinc/88/30/48/343883048.db2.gz KAJKELSYPWMAKE-HUUCEWRRSA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598719850 343883049 /nfs/dbraw/zinc/88/30/49/343883049.db2.gz KAJKELSYPWMAKE-HUUCEWRRSA-N 1 3 281.444 1.997 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccco1 ZINC000066244981 348977756 /nfs/dbraw/zinc/97/77/56/348977756.db2.gz OKOZMEIQEWEPRE-NSHDSACASA-N 1 3 250.346 1.168 20 30 CDEDHO CC[C@@H](C)NC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264102017 362968466 /nfs/dbraw/zinc/96/84/66/362968466.db2.gz MYAUTIQAIVYJEZ-CYBMUJFWSA-N 1 3 292.427 1.830 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065411681 363199155 /nfs/dbraw/zinc/19/91/55/363199155.db2.gz VMIHHHQRPRVPMS-UHFFFAOYSA-N 1 3 291.439 1.324 20 30 CDEDHO C[C@@H](CNC(=[NH2+])Nc1ccccn1)N1CCC(C)CC1 ZINC000170912008 365163003 /nfs/dbraw/zinc/16/30/03/365163003.db2.gz YDCDQBYPYGQFLV-ZDUSSCGKSA-N 1 3 275.400 1.929 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000417546414 377933585 /nfs/dbraw/zinc/93/35/85/377933585.db2.gz ZNKSLAUAFJQDBJ-LBPRGKRZSA-N 1 3 268.405 1.063 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000417058385 391341474 /nfs/dbraw/zinc/34/14/74/391341474.db2.gz FOILLPQGPIWOAI-LSDHHAIUSA-N 1 3 294.443 1.346 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(C)C ZINC000649297070 391924705 /nfs/dbraw/zinc/92/47/05/391924705.db2.gz DRQGJXMMEMZMCR-LVQVYYBASA-N 1 3 291.439 1.552 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000662681932 413302748 /nfs/dbraw/zinc/30/27/48/413302748.db2.gz NTSDHKWFLUNXPD-KKUMJFAQSA-N 1 3 279.428 1.539 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659450252 413835412 /nfs/dbraw/zinc/83/54/12/413835412.db2.gz IYCJFSRGVUDIAK-UHFFFAOYSA-N 1 3 280.416 1.208 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000265602898 277847164 /nfs/dbraw/zinc/84/71/64/277847164.db2.gz AHJNRTNUSCDEAC-SCOAYWHSSA-N 1 3 293.455 1.919 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN2CC2CCCCC2)N1 ZINC000262634670 330023702 /nfs/dbraw/zinc/02/37/02/330023702.db2.gz GLWCOJMDYXVKDF-UKRRQHHQSA-N 1 3 278.444 1.968 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262762816 330029894 /nfs/dbraw/zinc/02/98/94/330029894.db2.gz FZYDYZXHMVAFHK-QWHCGFSZSA-N 1 3 266.389 1.068 20 30 CDEDHO C=CC[C@H](CO)CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423014525 330165257 /nfs/dbraw/zinc/16/52/57/330165257.db2.gz INKBBMKFSAULPX-VNQPRFMTSA-N 1 3 262.397 1.719 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424138021 330274895 /nfs/dbraw/zinc/27/48/95/330274895.db2.gz CSGQVOYXVFFKDT-ZIAGYGMSSA-N 1 3 280.416 1.102 20 30 CDEDHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424138021 330274897 /nfs/dbraw/zinc/27/48/97/330274897.db2.gz CSGQVOYXVFFKDT-ZIAGYGMSSA-N 1 3 280.416 1.102 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000491789032 332351283 /nfs/dbraw/zinc/35/12/83/332351283.db2.gz YFOFGAMNNGVCMF-HNNXBMFYSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000491789032 332351285 /nfs/dbraw/zinc/35/12/85/332351285.db2.gz YFOFGAMNNGVCMF-HNNXBMFYSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001753712744 1159891790 /nfs/dbraw/zinc/89/17/90/1159891790.db2.gz QRNOPRYVPUNAJR-ZDUSSCGKSA-N 1 3 267.417 1.034 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417519785 482593097 /nfs/dbraw/zinc/59/30/97/482593097.db2.gz AXZKPLYFSSBZIO-OCCSQVGLSA-N 1 3 280.416 1.206 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000763920487 576765264 /nfs/dbraw/zinc/76/52/64/576765264.db2.gz ASWZRTBGFDXQHM-HNNXBMFYSA-N 1 3 275.396 1.523 20 30 CDEDHO C#CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947778406 613258574 /nfs/dbraw/zinc/25/85/74/613258574.db2.gz CJMRBBATAXRJPW-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980484339 613285387 /nfs/dbraw/zinc/28/53/87/613285387.db2.gz YLKWHWOKTVLSEA-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980484339 613285389 /nfs/dbraw/zinc/28/53/89/613285389.db2.gz YLKWHWOKTVLSEA-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3CCCC3)C2)C1 ZINC000982150533 613678366 /nfs/dbraw/zinc/67/83/66/613678366.db2.gz JSWTWWOMNLQJRD-UHFFFAOYSA-N 1 3 277.412 1.193 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CCCC3)C2)C1 ZINC000982150533 613678367 /nfs/dbraw/zinc/67/83/67/613678367.db2.gz JSWTWWOMNLQJRD-UHFFFAOYSA-N 1 3 277.412 1.193 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891921280 617775433 /nfs/dbraw/zinc/77/54/33/617775433.db2.gz LWLZXBYZWHPBPA-UHFFFAOYSA-N 1 3 294.443 1.245 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133134369 1163578858 /nfs/dbraw/zinc/57/88/58/1163578858.db2.gz DGGWLVDAZHDTTN-KBPBESRZSA-N 1 3 288.395 1.050 20 30 CDEDHO CC#CC[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001574973225 1171071024 /nfs/dbraw/zinc/07/10/24/1171071024.db2.gz ULAYFJFYBJXFJP-CQSZACIVSA-N 1 3 279.428 1.498 20 30 CDEDHO C=CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001753154632 1185090401 /nfs/dbraw/zinc/09/04/01/1185090401.db2.gz KTIPKSSWRSRPQF-HNNXBMFYSA-N 1 3 277.412 1.095 20 30 CDEDHO C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001753794054 1185337764 /nfs/dbraw/zinc/33/77/64/1185337764.db2.gz JXIQMVHMJOJOOZ-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC)C(C)C)CC1 ZINC001753845589 1185355645 /nfs/dbraw/zinc/35/56/45/1185355645.db2.gz MXQLAYOHYMGVTC-OAHLLOKOSA-N 1 3 279.428 1.082 20 30 CDEDHO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001754000119 1185422995 /nfs/dbraw/zinc/42/29/95/1185422995.db2.gz UHWWYGBGNNSRMV-HUUCEWRRSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001755386849 1185937317 /nfs/dbraw/zinc/93/73/17/1185937317.db2.gz WFZWVUDEDSBJRE-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001755724778 1186047878 /nfs/dbraw/zinc/04/78/78/1186047878.db2.gz XZJJQAAOCSIVBS-OLZOCXBDSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001026560848 751464471 /nfs/dbraw/zinc/46/44/71/751464471.db2.gz GXCCUPNKOQLULU-WLYUNCDWSA-N 1 3 277.412 1.121 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028317280 751669996 /nfs/dbraw/zinc/66/99/96/751669996.db2.gz ZMDWWYZMHYRIDV-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028317280 751670022 /nfs/dbraw/zinc/67/00/22/751670022.db2.gz ZMDWWYZMHYRIDV-UONOGXRCSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035196864 751671715 /nfs/dbraw/zinc/67/17/15/751671715.db2.gz FIEIRFFSVLXDRA-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035196864 751671740 /nfs/dbraw/zinc/67/17/40/751671740.db2.gz FIEIRFFSVLXDRA-OAHLLOKOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036054219 749540263 /nfs/dbraw/zinc/54/02/63/749540263.db2.gz JXPIUDPCEQJUAK-ZFWWWQNUSA-N 1 3 279.428 1.483 20 30 CDEDHO C#C[C@@](C)(CC)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000852103100 749549133 /nfs/dbraw/zinc/54/91/33/749549133.db2.gz XOTHHSHAVGFHRQ-INIZCTEOSA-N 1 3 279.428 1.367 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830153 749758666 /nfs/dbraw/zinc/75/86/66/749758666.db2.gz QJBUTPQHIJLXHQ-OCCSQVGLSA-N 1 3 274.368 1.061 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830153 749758677 /nfs/dbraw/zinc/75/86/77/749758677.db2.gz QJBUTPQHIJLXHQ-OCCSQVGLSA-N 1 3 274.368 1.061 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693720 749862834 /nfs/dbraw/zinc/86/28/34/749862834.db2.gz HTHMYZHHIUHGDQ-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001027693720 749862835 /nfs/dbraw/zinc/86/28/35/749862835.db2.gz HTHMYZHHIUHGDQ-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C[NH+]=C(NCC1CC1)NCC1(N(C)C)CCCCC1 ZINC000080511987 750016136 /nfs/dbraw/zinc/01/61/36/750016136.db2.gz RTANDNLEOYMUBT-UHFFFAOYSA-N 1 3 266.433 1.826 20 30 CDEDHO C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001040745209 750186013 /nfs/dbraw/zinc/18/60/13/750186013.db2.gz JEHUSMUFYPXBLU-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845081 750316416 /nfs/dbraw/zinc/31/64/16/750316416.db2.gz FMGWVPLCLUJYGJ-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001028845081 750316417 /nfs/dbraw/zinc/31/64/17/750316417.db2.gz FMGWVPLCLUJYGJ-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC000999598460 750387112 /nfs/dbraw/zinc/38/71/12/750387112.db2.gz NLLGSNRWOQDJOO-UHFFFAOYSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC000987257386 750852675 /nfs/dbraw/zinc/85/26/75/750852675.db2.gz WJOCXYNIXMNBAM-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072826196 750859123 /nfs/dbraw/zinc/85/91/23/750859123.db2.gz MDAHUSMBHYPWNF-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072826196 750859124 /nfs/dbraw/zinc/85/91/24/750859124.db2.gz MDAHUSMBHYPWNF-OAHLLOKOSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830473 750867283 /nfs/dbraw/zinc/86/72/83/750867283.db2.gz VXYBVPQGKZWRRB-UKRRQHHQSA-N 1 3 288.395 1.451 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001036830473 750867284 /nfs/dbraw/zinc/86/72/84/750867284.db2.gz VXYBVPQGKZWRRB-UKRRQHHQSA-N 1 3 288.395 1.451 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015999398 750888650 /nfs/dbraw/zinc/88/86/50/750888650.db2.gz VBRCWEVWNDYEEE-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015999398 750888651 /nfs/dbraw/zinc/88/86/51/750888651.db2.gz VBRCWEVWNDYEEE-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001036192167 752743091 /nfs/dbraw/zinc/74/30/91/752743091.db2.gz IXSHMUZWDMDZRY-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCCN1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634799 752823192 /nfs/dbraw/zinc/82/31/92/752823192.db2.gz YMCNWUWSDBRIFP-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818370 752941377 /nfs/dbraw/zinc/94/13/77/752941377.db2.gz BDGHDTFCMTVKNS-LJIZCISZSA-N 1 3 289.423 1.236 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818370 752941382 /nfs/dbraw/zinc/94/13/82/752941382.db2.gz BDGHDTFCMTVKNS-LJIZCISZSA-N 1 3 289.423 1.236 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849025540 753052649 /nfs/dbraw/zinc/05/26/49/753052649.db2.gz MMLDVFMWYGWHEF-KFWWJZLASA-N 1 3 294.443 1.566 20 30 CDEDHO CC[C@@H](CNC(=[NH2+])N1CCCCC1)N1CCCC1 ZINC000303879049 753119145 /nfs/dbraw/zinc/11/91/45/753119145.db2.gz GKMAVMDDCAHPHT-ZDUSSCGKSA-N 1 3 252.406 1.661 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071997340 753365343 /nfs/dbraw/zinc/36/53/43/753365343.db2.gz YQPQDUVDRYHZGE-GJZGRUSLSA-N 1 3 289.423 1.075 20 30 CDEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000924753301 753398869 /nfs/dbraw/zinc/39/88/69/753398869.db2.gz CWPIOHYYISPUMA-CHWSQXEVSA-N 1 3 253.390 1.361 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306711 753478297 /nfs/dbraw/zinc/47/82/97/753478297.db2.gz JCDQAGGSBVPHSD-UHFFFAOYSA-N 1 3 285.819 1.415 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001026148370 753808773 /nfs/dbraw/zinc/80/87/73/753808773.db2.gz CJBBUOASERWUTF-NBFUAULTSA-N 1 3 291.439 1.482 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001026148370 753808775 /nfs/dbraw/zinc/80/87/75/753808775.db2.gz CJBBUOASERWUTF-NBFUAULTSA-N 1 3 291.439 1.482 20 30 CDEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001566689183 1168389020 /nfs/dbraw/zinc/38/90/20/1168389020.db2.gz IRDDBHMLQLDYMQ-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224881 894902141 /nfs/dbraw/zinc/90/21/41/894902141.db2.gz LXEVDYJQLSHOJT-OAHLLOKOSA-N 1 3 291.439 1.370 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690688 898889530 /nfs/dbraw/zinc/88/95/30/898889530.db2.gz IWNFXGBWOQDWCM-OAGGEKHMSA-N 1 3 293.455 1.424 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440766 900499198 /nfs/dbraw/zinc/49/91/98/900499198.db2.gz KJVSQQXMIVORIO-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440766 900499193 /nfs/dbraw/zinc/49/91/93/900499193.db2.gz KJVSQQXMIVORIO-OAHLLOKOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028093927 901319306 /nfs/dbraw/zinc/31/93/06/901319306.db2.gz RSEIPUYUFGKWLG-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028093927 901319314 /nfs/dbraw/zinc/31/93/14/901319314.db2.gz RSEIPUYUFGKWLG-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001223597034 901748513 /nfs/dbraw/zinc/74/85/13/901748513.db2.gz HHHFGATYNOCJRO-OAHLLOKOSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577759 905702560 /nfs/dbraw/zinc/70/25/60/905702560.db2.gz HYIHTDUZOQXJIS-APIJFGDWSA-N 1 3 279.428 1.482 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577759 905702569 /nfs/dbraw/zinc/70/25/69/905702569.db2.gz HYIHTDUZOQXJIS-APIJFGDWSA-N 1 3 279.428 1.482 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554303 915884010 /nfs/dbraw/zinc/88/40/10/915884010.db2.gz ZUZACUGKTDSHJA-KKUMJFAQSA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582369 918465732 /nfs/dbraw/zinc/46/57/32/918465732.db2.gz AKOUYPKYTRSMQG-NVXWUHKLSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582369 918465740 /nfs/dbraw/zinc/46/57/40/918465740.db2.gz AKOUYPKYTRSMQG-NVXWUHKLSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183435936 918499047 /nfs/dbraw/zinc/49/90/47/918499047.db2.gz IJPRWIVVJPZVEC-CABCVRRESA-N 1 3 281.444 1.729 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001183772427 918661873 /nfs/dbraw/zinc/66/18/73/918661873.db2.gz HIKMDALTDYHBFO-GFCCVEGCSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187328430 920472018 /nfs/dbraw/zinc/47/20/18/920472018.db2.gz GFIXZPLXNRZFGI-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099159339 936781363 /nfs/dbraw/zinc/78/13/63/936781363.db2.gz DDBWQYPBXQFMDW-DZKIICNBSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099159339 936781365 /nfs/dbraw/zinc/78/13/65/936781365.db2.gz DDBWQYPBXQFMDW-DZKIICNBSA-N 1 3 277.412 1.095 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067053 926188559 /nfs/dbraw/zinc/18/85/59/926188559.db2.gz WAABFRVLFNBQQG-UHFFFAOYSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001252481682 928615530 /nfs/dbraw/zinc/61/55/30/928615530.db2.gz FQXHHONUVISVST-OAHLLOKOSA-N 1 3 270.417 1.262 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830538 928655463 /nfs/dbraw/zinc/65/54/63/928655463.db2.gz PBHVSDVBEXAJLD-JYJNAYRXSA-N 1 3 291.439 1.319 20 30 CDEDHO C=CC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393616 937358516 /nfs/dbraw/zinc/35/85/16/937358516.db2.gz RKTTVJUTIGYAOZ-UHFFFAOYSA-N 1 3 261.369 1.254 20 30 CDEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469845 932713034 /nfs/dbraw/zinc/71/30/34/932713034.db2.gz XQHJIZNAYGCVLU-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148469845 932713040 /nfs/dbraw/zinc/71/30/40/932713040.db2.gz XQHJIZNAYGCVLU-UHFFFAOYSA-N 1 3 293.455 1.829 20 30 CDEDHO C=CCN(CC=C)[C@H](CN[C@H]1C[NH2+]CCOC1)C(C)C ZINC000925538709 932901588 /nfs/dbraw/zinc/90/15/88/932901588.db2.gz WCWSJTFWFYAIDB-JKSUJKDBSA-N 1 3 281.444 1.263 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206653970 937648939 /nfs/dbraw/zinc/64/89/39/937648939.db2.gz QLXKAJMCVSRQEC-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712281 935802874 /nfs/dbraw/zinc/80/28/74/935802874.db2.gz MMZNLAIQGYLFFB-MRXNPFEDSA-N 1 3 288.395 1.453 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712281 935802877 /nfs/dbraw/zinc/80/28/77/935802877.db2.gz MMZNLAIQGYLFFB-MRXNPFEDSA-N 1 3 288.395 1.453 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772027 939577154 /nfs/dbraw/zinc/57/71/54/939577154.db2.gz GWUMGJPZHYVGIE-UHFFFAOYSA-N 1 3 273.808 1.177 20 30 CDEDHO C=CCOCC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744074 939634475 /nfs/dbraw/zinc/63/44/75/939634475.db2.gz GMCQQYBNPVHEPU-UHFFFAOYSA-N 1 3 299.459 1.263 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858443 939644875 /nfs/dbraw/zinc/64/48/75/939644875.db2.gz UYIWHFDGLHFGEX-KBPBESRZSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858445 939645236 /nfs/dbraw/zinc/64/52/36/939645236.db2.gz UYIWHFDGLHFGEX-KGLIPLIRSA-N 1 3 269.433 1.777 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203519650 939690974 /nfs/dbraw/zinc/69/09/74/939690974.db2.gz BERQQRXKLQEDMU-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210283631 940678606 /nfs/dbraw/zinc/67/86/06/940678606.db2.gz QBYYCRAWHNSVTL-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904710 940844258 /nfs/dbraw/zinc/84/42/58/940844258.db2.gz GDVAFJRPNIBMIK-OAGGEKHMSA-N 1 3 295.471 1.975 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215558194 940894191 /nfs/dbraw/zinc/89/41/91/940894191.db2.gz NJLVKRPXEWAKIA-ZIAGYGMSSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680867 940902925 /nfs/dbraw/zinc/90/29/25/940902925.db2.gz MJRYQDHSPWVQJD-TZMCWYRMSA-N 1 3 276.384 1.355 20 30 CDEDHO N#Cc1nc2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc2s1 ZINC001218910303 941287221 /nfs/dbraw/zinc/28/72/21/941287221.db2.gz IVJUHPJZSLSQRE-VIFPVBQESA-N 1 3 289.364 1.173 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472974 941680087 /nfs/dbraw/zinc/68/00/87/941680087.db2.gz ZFVFGJBJNLFOAK-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225577418 941883716 /nfs/dbraw/zinc/88/37/16/941883716.db2.gz HIMCBNLOKHQNLP-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001230124590 942585276 /nfs/dbraw/zinc/58/52/76/942585276.db2.gz IPDRGUFILHBZSL-UHFFFAOYSA-N 1 3 290.411 1.807 20 30 CDEDHO CC(C)N1CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254643668 947566332 /nfs/dbraw/zinc/56/63/32/947566332.db2.gz QPYTYYFYLVTSJP-LSDHHAIUSA-N 1 3 264.417 1.294 20 30 CDEDHO C=C[C@](C)(O)CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252549291 951437884 /nfs/dbraw/zinc/43/78/84/951437884.db2.gz HZQLANCXGLYYDC-DLBZAZTESA-N 1 3 296.455 1.746 20 30 CDEDHO C=C[C@](C)(O)CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252549291 951437891 /nfs/dbraw/zinc/43/78/91/951437891.db2.gz HZQLANCXGLYYDC-DLBZAZTESA-N 1 3 296.455 1.746 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC001340853550 963155344 /nfs/dbraw/zinc/15/53/44/963155344.db2.gz NKVILBHVFVBVNQ-ZIAGYGMSSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001340853550 963155353 /nfs/dbraw/zinc/15/53/53/963155353.db2.gz NKVILBHVFVBVNQ-ZIAGYGMSSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001341618343 963485261 /nfs/dbraw/zinc/48/52/61/963485261.db2.gz HTEMLKYXOYLKCY-HOTGVXAUSA-N 1 3 293.455 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001341618343 963485266 /nfs/dbraw/zinc/48/52/66/963485266.db2.gz HTEMLKYXOYLKCY-HOTGVXAUSA-N 1 3 293.455 1.860 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001341677723 963508517 /nfs/dbraw/zinc/50/85/17/963508517.db2.gz RKZKOWSDXRMARV-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001341677723 963508523 /nfs/dbraw/zinc/50/85/23/963508523.db2.gz RKZKOWSDXRMARV-OLZOCXBDSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433961 1163288738 /nfs/dbraw/zinc/28/87/38/1163288738.db2.gz SHTXZYHIMAFSJW-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC001574908354 1171046377 /nfs/dbraw/zinc/04/63/77/1171046377.db2.gz KSGSDFFCOSYMNO-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC001574908354 1171046384 /nfs/dbraw/zinc/04/63/84/1171046384.db2.gz KSGSDFFCOSYMNO-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO CC(C)(CNC(=O)[C@H](N)CCCC#N)C[NH+]1CCCC1 ZINC001575320413 1171152976 /nfs/dbraw/zinc/15/29/76/1171152976.db2.gz VUWGPLUTBRIAQZ-CYBMUJFWSA-N 1 3 280.416 1.246 20 30 CDEDHO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440246 342907119 /nfs/dbraw/zinc/90/71/19/342907119.db2.gz AXEQVHNMGZJZNA-KGLIPLIRSA-N 1 3 280.416 1.246 20 30 CDEDHO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440246 342907120 /nfs/dbraw/zinc/90/71/20/342907120.db2.gz AXEQVHNMGZJZNA-KGLIPLIRSA-N 1 3 280.416 1.246 20 30 CDEDHO CN1CCN(CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1(C)C ZINC000442869147 362098634 /nfs/dbraw/zinc/09/86/34/362098634.db2.gz IKFBLPRXSZXVDN-GJZGRUSLSA-N 1 3 278.444 1.684 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781105 362089597 /nfs/dbraw/zinc/08/95/97/362089597.db2.gz LYGJFRDJMHNNKG-HUUCEWRRSA-N 1 3 264.417 1.296 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000598728014 343886799 /nfs/dbraw/zinc/88/67/99/343886799.db2.gz MIJBSYYMSBLNHQ-HNNXBMFYSA-N 1 3 279.428 1.894 20 30 CDEDHO CN(Cc1cccc(C#N)n1)CC1CC[NH+](C)CC1 ZINC000602462670 350111787 /nfs/dbraw/zinc/11/17/87/350111787.db2.gz OKLVPLGUAJMZGP-UHFFFAOYSA-N 1 3 258.369 1.727 20 30 CDEDHO C[NH+]=C(NCc1ccccc1OCCN(C)C)NC1CC1 ZINC000264053150 362952532 /nfs/dbraw/zinc/95/25/32/362952532.db2.gz NIQHCTTWTXZJSJ-UHFFFAOYSA-N 1 3 290.411 1.454 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)c1 ZINC000264121341 362972028 /nfs/dbraw/zinc/97/20/28/362972028.db2.gz REWBLMRRZVSQND-AWEZNQCLSA-N 1 3 290.411 1.584 20 30 CDEDHO N#Cc1ccc(N2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000423191048 283154159 /nfs/dbraw/zinc/15/41/59/283154159.db2.gz UCFRSLIRRLXGLB-UHFFFAOYSA-N 1 3 284.407 1.869 20 30 CDEDHO N#Cc1ccc(N2CCC(NC3CC[NH2+]CC3)CC2)cc1 ZINC000423191048 283154163 /nfs/dbraw/zinc/15/41/63/283154163.db2.gz UCFRSLIRRLXGLB-UHFFFAOYSA-N 1 3 284.407 1.869 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070170615 356846776 /nfs/dbraw/zinc/84/67/76/356846776.db2.gz QEWVHMVBGRCQJU-AWEZNQCLSA-N 1 3 265.401 1.248 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000236687526 358798779 /nfs/dbraw/zinc/79/87/79/358798779.db2.gz ASCRGVOYTYBLJE-HZPDHXFCSA-N 1 3 293.455 1.943 20 30 CDEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)C(C)C ZINC000262091370 359134257 /nfs/dbraw/zinc/13/42/57/359134257.db2.gz GKIJKYCJWTUPFC-CHWSQXEVSA-N 1 3 250.390 1.033 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccoc1 ZINC000170904514 365158790 /nfs/dbraw/zinc/15/87/90/365158790.db2.gz PQDHUXQSNNJZBE-GFCCVEGCSA-N 1 3 250.346 1.168 20 30 CDEDHO C=C(CC)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000358820955 367907629 /nfs/dbraw/zinc/90/76/29/367907629.db2.gz UYIRPZRASDADGM-HOTGVXAUSA-N 1 3 265.445 1.910 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC000164415429 371310840 /nfs/dbraw/zinc/31/08/40/371310840.db2.gz VLXMPLFMDSLZIM-AWEZNQCLSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000579195438 372554249 /nfs/dbraw/zinc/55/42/49/372554249.db2.gz YAKRVLKGKALZNU-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000165201883 376631262 /nfs/dbraw/zinc/63/12/62/376631262.db2.gz GALYERVWTPYFOI-CABCVRRESA-N 1 3 279.428 1.411 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1C1CC[NH+](C)CC1 ZINC000339062182 391248097 /nfs/dbraw/zinc/24/80/97/391248097.db2.gz ZJHQDEGYGNTEJI-BFYDXBDKSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@@H+]1C1CCN(C)CC1 ZINC000339062182 391248101 /nfs/dbraw/zinc/24/81/01/391248101.db2.gz ZJHQDEGYGNTEJI-BFYDXBDKSA-N 1 3 290.455 1.779 20 30 CDEDHO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1C1CCN(C)CC1 ZINC000339062182 391248103 /nfs/dbraw/zinc/24/81/03/391248103.db2.gz ZJHQDEGYGNTEJI-BFYDXBDKSA-N 1 3 290.455 1.779 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC#Cc1ccccc1 ZINC000267474113 391197719 /nfs/dbraw/zinc/19/77/19/391197719.db2.gz YRTZPBKFFFBPPP-INIZCTEOSA-N 1 3 284.407 1.427 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000262663778 391809310 /nfs/dbraw/zinc/80/93/10/391809310.db2.gz MNUPOTDSRBWUOF-TZMCWYRMSA-N 1 3 288.395 1.509 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[NH3+])C(C)C ZINC000236657487 130965456 /nfs/dbraw/zinc/96/54/56/130965456.db2.gz XLZGCVHBILXCEZ-ZDUSSCGKSA-N 1 3 253.390 1.150 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000519761524 392847845 /nfs/dbraw/zinc/84/78/45/392847845.db2.gz BFGLLVGUESNLNK-PIIMJCKOSA-N 1 3 296.418 1.330 20 30 CDEDHO C#CCN(CCOCC[N@H+](CC#C)C1CC1)C1CC1 ZINC000274233902 397705182 /nfs/dbraw/zinc/70/51/82/397705182.db2.gz WXEHRJDSUVXWOE-UHFFFAOYSA-N 1 3 260.381 1.198 20 30 CDEDHO C#CCN(CCOCC[N@@H+](CC#C)C1CC1)C1CC1 ZINC000274233902 397705183 /nfs/dbraw/zinc/70/51/83/397705183.db2.gz WXEHRJDSUVXWOE-UHFFFAOYSA-N 1 3 260.381 1.198 20 30 CDEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)COC ZINC000661241472 413913821 /nfs/dbraw/zinc/91/38/21/413913821.db2.gz YVPLWVIEPJQXKQ-KRWDZBQOSA-N 1 3 297.487 1.925 20 30 CDEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)COC ZINC000661241472 413913826 /nfs/dbraw/zinc/91/38/26/413913826.db2.gz YVPLWVIEPJQXKQ-KRWDZBQOSA-N 1 3 297.487 1.925 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237394027 260684750 /nfs/dbraw/zinc/68/47/50/260684750.db2.gz OMDGMYFDQGVKDQ-LSDHHAIUSA-N 1 3 293.455 1.779 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000365488974 262367511 /nfs/dbraw/zinc/36/75/11/262367511.db2.gz FFDGMSYLPWEJAY-QPSCCSFWSA-N 1 3 263.385 1.522 20 30 CDEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000365488974 262367512 /nfs/dbraw/zinc/36/75/12/262367512.db2.gz FFDGMSYLPWEJAY-QPSCCSFWSA-N 1 3 263.385 1.522 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)NCC1C[NH2+]C1)C(C)C ZINC000417065868 263780036 /nfs/dbraw/zinc/78/00/36/263780036.db2.gz QDSCQMXZKKEPPV-OAHLLOKOSA-N 1 3 294.443 1.204 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C(C)C ZINC000165203027 264210246 /nfs/dbraw/zinc/21/02/46/264210246.db2.gz DECRTHGWCBRROR-GOEBONIOSA-N 1 3 297.418 1.503 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000357168176 266259356 /nfs/dbraw/zinc/25/93/56/266259356.db2.gz BFYRSDTWFLYFMX-GDBMZVCRSA-N 1 3 293.455 1.657 20 30 CDEDHO CC#CCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368139095 267147659 /nfs/dbraw/zinc/14/76/59/267147659.db2.gz NHCDFLQDEMPDCL-JKSUJKDBSA-N 1 3 263.429 1.358 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185881531 329334369 /nfs/dbraw/zinc/33/43/69/329334369.db2.gz ATYPTMXMIVOHRM-CVEARBPZSA-N 1 3 278.444 1.686 20 30 CDEDHO C#CCN(C)CCC[NH2+]C1CCN(CCC)CC1 ZINC000392759932 329379348 /nfs/dbraw/zinc/37/93/48/329379348.db2.gz KJOFZSMTXDKUMI-UHFFFAOYSA-N 1 3 251.418 1.406 20 30 CDEDHO CN(C)CC1(CNC(=[NH2+])N2CCSCC2)CCCC1 ZINC000262382532 330011955 /nfs/dbraw/zinc/01/19/55/330011955.db2.gz OYWVXWYGKWVZSJ-UHFFFAOYSA-N 1 3 284.473 1.472 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098866 330170089 /nfs/dbraw/zinc/17/00/89/330170089.db2.gz SSNMSCQECJIJTO-YYJFMHSASA-N 1 3 250.386 1.840 20 30 CDEDHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424085648 330223290 /nfs/dbraw/zinc/22/32/90/330223290.db2.gz ZIDOEYRDUJNIBU-GXFFZTMASA-N 1 3 260.341 1.666 20 30 CDEDHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424160408 330306270 /nfs/dbraw/zinc/30/62/70/330306270.db2.gz AUTDLGRQTNMXLG-ZDUSSCGKSA-N 1 3 260.341 1.366 20 30 CDEDHO C#CCNC(=O)CCN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000491747055 332324537 /nfs/dbraw/zinc/32/45/37/332324537.db2.gz CCYHMBPGEDVGLE-CVEARBPZSA-N 1 3 293.455 1.616 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669465266 483172780 /nfs/dbraw/zinc/17/27/80/483172780.db2.gz OEUQCXGGVLGVMQ-HIFRSBDPSA-N 1 3 292.427 1.030 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001755188506 1185843524 /nfs/dbraw/zinc/84/35/24/1185843524.db2.gz GUTHHRLDKKYPCJ-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001755188506 1185843532 /nfs/dbraw/zinc/84/35/32/1185843532.db2.gz GUTHHRLDKKYPCJ-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691875 613299473 /nfs/dbraw/zinc/29/94/73/613299473.db2.gz YZVUBYMLWIFYPZ-VNQPRFMTSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969691875 613299475 /nfs/dbraw/zinc/29/94/75/613299475.db2.gz YZVUBYMLWIFYPZ-VNQPRFMTSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908436811 628199912 /nfs/dbraw/zinc/19/99/12/628199912.db2.gz VOXBXIYVNLSNAQ-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908436811 628199914 /nfs/dbraw/zinc/19/99/14/628199914.db2.gz VOXBXIYVNLSNAQ-GJZGRUSLSA-N 1 3 277.412 1.075 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787780 629512016 /nfs/dbraw/zinc/51/20/16/629512016.db2.gz MEJUGTANAUDBRT-KBPBESRZSA-N 1 3 269.433 1.885 20 30 CDEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743163 1164172888 /nfs/dbraw/zinc/17/28/88/1164172888.db2.gz GDXOSIVHRQXVHD-CHWSQXEVSA-N 1 3 255.406 1.387 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442402 1165044907 /nfs/dbraw/zinc/04/49/07/1165044907.db2.gz GMJNRWMNFAUXHD-JJXSEGSLSA-N 1 3 293.455 1.585 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114442402 1165044915 /nfs/dbraw/zinc/04/49/15/1165044915.db2.gz GMJNRWMNFAUXHD-JJXSEGSLSA-N 1 3 293.455 1.585 20 30 CDEDHO C[C@@H](CC[NH+](C)C)NCCC(=O)Nc1cccc(C#N)c1 ZINC001647232038 1168473790 /nfs/dbraw/zinc/47/37/90/1168473790.db2.gz NKBBPCZVRCPVNV-ZDUSSCGKSA-N 1 3 288.395 1.817 20 30 CDEDHO C#CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001713876648 1178808097 /nfs/dbraw/zinc/80/80/97/1178808097.db2.gz PBYGRLJVUDKUJQ-HUUCEWRRSA-N 1 3 279.428 1.080 20 30 CDEDHO C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001753742435 1185325803 /nfs/dbraw/zinc/32/58/03/1185325803.db2.gz SBKMKVYJGXUEBM-HOTGVXAUSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753815377 1185343445 /nfs/dbraw/zinc/34/34/45/1185343445.db2.gz MCOAXMLSEQLMAT-STQMWFEESA-N 1 3 276.384 1.355 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC001754296632 1185557439 /nfs/dbraw/zinc/55/74/39/1185557439.db2.gz TZUXWXBLMWAMQJ-AWEZNQCLSA-N 1 3 279.428 1.082 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114412068 1164914048 /nfs/dbraw/zinc/91/40/48/1164914048.db2.gz PQUIOMWXHMLEBO-FOLVSLTJSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114412068 1164914054 /nfs/dbraw/zinc/91/40/54/1164914054.db2.gz PQUIOMWXHMLEBO-FOLVSLTJSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576139 754370345 /nfs/dbraw/zinc/37/03/45/754370345.db2.gz KYXMYSARYBWBQM-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028097810 755069771 /nfs/dbraw/zinc/06/97/71/755069771.db2.gz FUUVIWMBMBGESI-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046554478 755833063 /nfs/dbraw/zinc/83/30/63/755833063.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046554478 755833066 /nfs/dbraw/zinc/83/30/66/755833066.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046554478 755833067 /nfs/dbraw/zinc/83/30/67/755833067.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCN2C)C1 ZINC001046554478 755833070 /nfs/dbraw/zinc/83/30/70/755833070.db2.gz QHFATCQVPLHZCQ-GOEBONIOSA-N 1 3 277.412 1.075 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000261985386 754093622 /nfs/dbraw/zinc/09/36/22/754093622.db2.gz JPCBLBUNXZKUIN-ZIAGYGMSSA-N 1 3 264.417 1.731 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@]2(N(C)C)CCC[C@@H](C)C2)N1 ZINC000261579311 754219305 /nfs/dbraw/zinc/21/93/05/754219305.db2.gz PKYMDMFFRPRKNI-BZPMIXESSA-N 1 3 252.406 1.434 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576139 754370336 /nfs/dbraw/zinc/37/03/36/754370336.db2.gz KYXMYSARYBWBQM-HUUCEWRRSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956685 754703554 /nfs/dbraw/zinc/70/35/54/754703554.db2.gz STZAWCOKTNRGFH-KBPBESRZSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006001351 754822144 /nfs/dbraw/zinc/82/21/44/754822144.db2.gz MPVPCJOYSQGEPL-UKRRQHHQSA-N 1 3 279.428 1.293 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001006001351 754822146 /nfs/dbraw/zinc/82/21/46/754822146.db2.gz MPVPCJOYSQGEPL-UKRRQHHQSA-N 1 3 279.428 1.293 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC[C@@H]1CCCCO1 ZINC000305802860 754960773 /nfs/dbraw/zinc/96/07/73/754960773.db2.gz FEXYIAWMOLOZCZ-GJZGRUSLSA-N 1 3 296.459 1.724 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097810 755069764 /nfs/dbraw/zinc/06/97/64/755069764.db2.gz FUUVIWMBMBGESI-SOUVJXGZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000996718385 755115882 /nfs/dbraw/zinc/11/58/82/755115882.db2.gz OFDQJQCEKGVXLC-CYBMUJFWSA-N 1 3 253.390 1.093 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSC(F)(F)F ZINC000170905201 755129251 /nfs/dbraw/zinc/12/92/51/755129251.db2.gz UMJYVUZURWCOKI-SECBINFHSA-N 1 3 298.378 1.628 20 30 CDEDHO N#Cc1ccc(NCCN[C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000925892970 755324874 /nfs/dbraw/zinc/32/48/74/755324874.db2.gz ITXQETHWJZNDOF-KGLIPLIRSA-N 1 3 273.384 1.472 20 30 CDEDHO N#Cc1ccc(NCC[NH2+][C@H]2CCCC[C@@H]2CN)nc1 ZINC000925892970 755324877 /nfs/dbraw/zinc/32/48/77/755324877.db2.gz ITXQETHWJZNDOF-KGLIPLIRSA-N 1 3 273.384 1.472 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOCC1CC1 ZINC000303781670 755415314 /nfs/dbraw/zinc/41/53/14/755415314.db2.gz MOSIITAZYYPHGG-CQSZACIVSA-N 1 3 282.432 1.192 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038392956 755828942 /nfs/dbraw/zinc/82/89/42/755828942.db2.gz FIIMSJRXTNOAGU-OAHLLOKOSA-N 1 3 291.439 1.629 20 30 CDEDHO C=C(C)COCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820824429 755908185 /nfs/dbraw/zinc/90/81/85/755908185.db2.gz SKDVYDJVLHVKOV-MQVJKMGUSA-N 1 3 282.428 1.811 20 30 CDEDHO C=C(C)COCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820824429 755908176 /nfs/dbraw/zinc/90/81/76/755908176.db2.gz SKDVYDJVLHVKOV-MQVJKMGUSA-N 1 3 282.428 1.811 20 30 CDEDHO CCN(CC)[C@@H](CNC(=[NH2+])N1CCOCC1)CC(C)C ZINC000303787649 756178702 /nfs/dbraw/zinc/17/87/02/756178702.db2.gz SQIQFIOAXXXJST-CQSZACIVSA-N 1 3 284.448 1.390 20 30 CDEDHO C[C@H]1CCCN(C(C)(C)CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305841685 756528717 /nfs/dbraw/zinc/52/87/17/756528717.db2.gz ZORYDQKBZNOJAZ-LBPRGKRZSA-N 1 3 266.433 1.906 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052711976 756674317 /nfs/dbraw/zinc/67/43/17/756674317.db2.gz CIDJBEOSIPIQBI-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052711976 756674319 /nfs/dbraw/zinc/67/43/19/756674319.db2.gz CIDJBEOSIPIQBI-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001039301258 756796151 /nfs/dbraw/zinc/79/61/51/756796151.db2.gz FJUPCMPTUOXRJU-LQDVMPOASA-N 1 3 286.379 1.087 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693717 756806833 /nfs/dbraw/zinc/80/68/33/756806833.db2.gz HTHMYZHHIUHGDQ-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001027693717 756806836 /nfs/dbraw/zinc/80/68/36/756806836.db2.gz HTHMYZHHIUHGDQ-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403960 756861115 /nfs/dbraw/zinc/86/11/15/756861115.db2.gz RFAUXGSADJBLJL-ZBFHGGJFSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041403960 756861117 /nfs/dbraw/zinc/86/11/17/756861117.db2.gz RFAUXGSADJBLJL-ZBFHGGJFSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385762 756872048 /nfs/dbraw/zinc/87/20/48/756872048.db2.gz NSYHOSZHFHEFIL-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003425033 757207244 /nfs/dbraw/zinc/20/72/44/757207244.db2.gz ZZCODTKSCYBFIH-UHFFFAOYSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028538031 757432196 /nfs/dbraw/zinc/43/21/96/757432196.db2.gz XZXJMNFVBGRVDQ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028538031 757432205 /nfs/dbraw/zinc/43/22/05/757432205.db2.gz XZXJMNFVBGRVDQ-CVEARBPZSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC000995804201 757895910 /nfs/dbraw/zinc/89/59/10/757895910.db2.gz RDKGBHIROFSOTR-CABCVRRESA-N 1 3 293.455 1.872 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892297 758020505 /nfs/dbraw/zinc/02/05/05/758020505.db2.gz SECGDGUMHACREG-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892297 758020515 /nfs/dbraw/zinc/02/05/15/758020515.db2.gz SECGDGUMHACREG-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713256 758692478 /nfs/dbraw/zinc/69/24/78/758692478.db2.gz UJZFEWPVIMUGSS-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052713256 758692489 /nfs/dbraw/zinc/69/24/89/758692489.db2.gz UJZFEWPVIMUGSS-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO N#Cc1ccc2ncc(NC(=N)NCCCC[NH3+])nc2c1 ZINC001167881032 901636459 /nfs/dbraw/zinc/63/64/59/901636459.db2.gz VHQBMPQWFKZIOP-UHFFFAOYSA-N 1 3 283.339 1.177 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400295 921474911 /nfs/dbraw/zinc/47/49/11/921474911.db2.gz JAEKCZQSRXGETD-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189400295 921474917 /nfs/dbraw/zinc/47/49/17/921474917.db2.gz JAEKCZQSRXGETD-KGLIPLIRSA-N 1 3 265.401 1.189 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181884548 917442922 /nfs/dbraw/zinc/44/29/22/917442922.db2.gz GBWNIPFVHSAVGO-IIAWOOMASA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001183758962 918657261 /nfs/dbraw/zinc/65/72/61/918657261.db2.gz BVEPOGKVLQKHCN-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186496378 920040253 /nfs/dbraw/zinc/04/02/53/920040253.db2.gz FWXGYZAHLLMZGW-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001273545772 920612005 /nfs/dbraw/zinc/61/20/05/920612005.db2.gz DJJWAWDLSNIZBO-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192386531 923051775 /nfs/dbraw/zinc/05/17/75/923051775.db2.gz QDSQALDPZWRYCL-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192386531 923051793 /nfs/dbraw/zinc/05/17/93/923051793.db2.gz QDSQALDPZWRYCL-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCOCCN(C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193291210 923591435 /nfs/dbraw/zinc/59/14/35/923591435.db2.gz FYZXDWSTPVHVLE-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCOCCN(C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193291210 923591445 /nfs/dbraw/zinc/59/14/45/923591445.db2.gz FYZXDWSTPVHVLE-HNNXBMFYSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CCCO1 ZINC001201930507 926424157 /nfs/dbraw/zinc/42/41/57/926424157.db2.gz CESWYVNFAIMGCG-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663636 937150450 /nfs/dbraw/zinc/15/04/50/937150450.db2.gz LFJPIAUJJPWUFT-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103663636 937150451 /nfs/dbraw/zinc/15/04/51/937150451.db2.gz LFJPIAUJJPWUFT-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108830823 928656143 /nfs/dbraw/zinc/65/61/43/928656143.db2.gz YGKWJDFNSYIWIJ-XHSDSOJGSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108832801 928658547 /nfs/dbraw/zinc/65/85/47/928658547.db2.gz YQIZNDGOXKLESZ-KKUMJFAQSA-N 1 3 279.428 1.482 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCC(C)C)CC1 ZINC001152330469 937354061 /nfs/dbraw/zinc/35/40/61/937354061.db2.gz OJNLORHHBQJNEH-UHFFFAOYSA-N 1 3 279.428 1.084 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199134 938593919 /nfs/dbraw/zinc/59/39/19/938593919.db2.gz NGTRQUWHMRTSJE-MELADBBJSA-N 1 3 265.401 1.413 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853713 938757310 /nfs/dbraw/zinc/75/73/10/938757310.db2.gz JGTJBRKDJVJUBH-UHFFFAOYSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160695092 938814896 /nfs/dbraw/zinc/81/48/96/938814896.db2.gz IEDKGMMHXAZATH-GJZGRUSLSA-N 1 3 281.444 1.908 20 30 CDEDHO CN(C)/C=N/c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1C#N ZINC001163146010 939212716 /nfs/dbraw/zinc/21/27/16/939212716.db2.gz FAVFIXBVGNHDJU-HNHZIDDWSA-N 1 3 299.378 1.178 20 30 CDEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204793298 939791483 /nfs/dbraw/zinc/79/14/83/939791483.db2.gz DWPADOGVRCTZKU-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954382 940117373 /nfs/dbraw/zinc/11/73/73/940117373.db2.gz HAKIXBQWYWOJOL-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836240 940645872 /nfs/dbraw/zinc/64/58/72/940645872.db2.gz INLMUKVBUHGUPQ-CYBMUJFWSA-N 1 3 276.384 1.499 20 30 CDEDHO C=C[C@@H]1C[C@]1(N)C(=O)N(CC[NH3+])Cc1ccc(CC)cc1 ZINC001220902899 941485161 /nfs/dbraw/zinc/48/51/61/941485161.db2.gz FBWGSAGTHDCVAK-NVXWUHKLSA-N 1 3 287.407 1.440 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226801418 942074423 /nfs/dbraw/zinc/07/44/23/942074423.db2.gz WPIBGLRKVCKYDM-OAGGEKHMSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229214410 942434505 /nfs/dbraw/zinc/43/45/05/942434505.db2.gz QLIRYUSICLCEFD-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001316606287 942493126 /nfs/dbraw/zinc/49/31/26/942493126.db2.gz NLCPYMRNWNJJHJ-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO N#CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686618 948394723 /nfs/dbraw/zinc/39/47/23/948394723.db2.gz RCFUVUVWUATTFU-UHFFFAOYSA-N 1 3 251.374 1.523 20 30 CDEDHO CCc1cccc(OC[C@@H](O)C[NH2+]CC#CCN(C)C)c1 ZINC001335969424 960129587 /nfs/dbraw/zinc/12/95/87/960129587.db2.gz UDNXYRUXSHVYEX-INIZCTEOSA-N 1 3 290.407 1.143 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001354319512 968640410 /nfs/dbraw/zinc/64/04/10/968640410.db2.gz UFIFVTGTHHVDRN-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC001354319512 968640418 /nfs/dbraw/zinc/64/04/18/968640418.db2.gz UFIFVTGTHHVDRN-CHWSQXEVSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419553 1163685500 /nfs/dbraw/zinc/68/55/00/1163685500.db2.gz RTEJXAZUXTUGPP-ZIAGYGMSSA-N 1 3 269.433 1.633 20 30 CDEDHO CN1CCN(CC[NH2+]CC(C)(C)CCC#N)CC1(C)C ZINC000441342661 362001794 /nfs/dbraw/zinc/00/17/94/362001794.db2.gz DIRCTLLXRRALRS-UHFFFAOYSA-N 1 3 280.460 1.932 20 30 CDEDHO C[NH+](C)C1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602697303 350141532 /nfs/dbraw/zinc/14/15/32/350141532.db2.gz JTUBJSIWSICTQC-UHFFFAOYSA-N 1 3 258.369 1.916 20 30 CDEDHO CCCCNC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264062221 362955486 /nfs/dbraw/zinc/95/54/86/362955486.db2.gz DBGAQQMCOWCBQH-UHFFFAOYSA-N 1 3 292.427 1.831 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(O)c1 ZINC000264079360 362960629 /nfs/dbraw/zinc/96/06/29/362960629.db2.gz IFDZDILQWXVMEC-CYBMUJFWSA-N 1 3 276.384 1.281 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000630944510 373447048 /nfs/dbraw/zinc/44/70/48/373447048.db2.gz VLCXAWUXRWEOSA-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000630944510 373447055 /nfs/dbraw/zinc/44/70/55/373447055.db2.gz VLCXAWUXRWEOSA-LSDHHAIUSA-N 1 3 279.428 1.483 20 30 CDEDHO Cn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1C#N ZINC000189587647 377335169 /nfs/dbraw/zinc/33/51/69/377335169.db2.gz WHXUCGJUSATBBX-LBPRGKRZSA-N 1 3 258.369 1.471 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417521553 377817845 /nfs/dbraw/zinc/81/78/45/377817845.db2.gz FNTXGUUARKGRAC-INIZCTEOSA-N 1 3 294.443 1.326 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417546506 377935227 /nfs/dbraw/zinc/93/52/27/377935227.db2.gz ZYDUTNCSYLMPLQ-UHFFFAOYSA-N 1 3 296.459 1.844 20 30 CDEDHO COc1ccccc1CNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271785908 391304378 /nfs/dbraw/zinc/30/43/78/391304378.db2.gz HTUXKWWUVCROSU-UHFFFAOYSA-N 1 3 288.395 1.361 20 30 CDEDHO Cn1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1C#N ZINC000191243304 130208465 /nfs/dbraw/zinc/20/84/65/130208465.db2.gz ZDSYEZQKRYKWSG-ZDUSSCGKSA-N 1 3 260.385 1.670 20 30 CDEDHO Cn1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1C#N ZINC000191243304 130208466 /nfs/dbraw/zinc/20/84/66/130208466.db2.gz ZDSYEZQKRYKWSG-ZDUSSCGKSA-N 1 3 260.385 1.670 20 30 CDEDHO CCO[C@H](CC[NH+](C)C)CNCc1cc(C#N)n(C)c1 ZINC000191300993 130218881 /nfs/dbraw/zinc/21/88/81/130218881.db2.gz BVVCPVDWMUVYHR-OAHLLOKOSA-N 1 3 278.400 1.343 20 30 CDEDHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1C#N ZINC000234962836 140233173 /nfs/dbraw/zinc/23/31/73/140233173.db2.gz LYXIQVCQKZWZIN-UHFFFAOYSA-N 1 3 259.353 1.738 20 30 CDEDHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(C)C#N ZINC000340550396 263196842 /nfs/dbraw/zinc/19/68/42/263196842.db2.gz JWYXGIIKIKVELI-CYBMUJFWSA-N 1 3 253.390 1.972 20 30 CDEDHO C[C@@H]1C[C@H](C)CN(C(C)(C)CNC2=[NH+]CCN2C)C1 ZINC000262475916 330016129 /nfs/dbraw/zinc/01/61/29/330016129.db2.gz CBOFLQULDPSJJG-BETUJISGSA-N 1 3 266.433 1.634 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC[C@H]1C ZINC000262638567 330023988 /nfs/dbraw/zinc/02/39/88/330023988.db2.gz HGVOBWOZIBPHAA-HZSPNIEDSA-N 1 3 282.432 1.048 20 30 CDEDHO C[C@H]1CCCN(C(=[NH2+])NCCN2CCCC2(C)C)C1 ZINC000263055083 330041029 /nfs/dbraw/zinc/04/10/29/330041029.db2.gz DVLXGXZDSYMKMJ-ZDUSSCGKSA-N 1 3 266.433 1.907 20 30 CDEDHO [NH2+]=C(NC[C@H]1CCCN1C1CCCCC1)N1CCC1 ZINC000263061280 330041429 /nfs/dbraw/zinc/04/14/29/330041429.db2.gz FNYIABQNFQWGCY-CQSZACIVSA-N 1 3 264.417 1.804 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CCCC1(C)C ZINC000263209192 330049191 /nfs/dbraw/zinc/04/91/91/330049191.db2.gz YTZXRHBAMIKTMK-BBRMVZONSA-N 1 3 296.459 1.316 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098865 330170179 /nfs/dbraw/zinc/17/01/79/330170179.db2.gz SSNMSCQECJIJTO-WQKZHXONSA-N 1 3 250.386 1.840 20 30 CDEDHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424136307 330272348 /nfs/dbraw/zinc/27/23/48/330272348.db2.gz AHOKYEKEHZRNCY-ZIAGYGMSSA-N 1 3 280.416 1.198 20 30 CDEDHO C=CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000552835932 334347252 /nfs/dbraw/zinc/34/72/52/334347252.db2.gz GQGZAETWAUKRCB-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417519783 482593400 /nfs/dbraw/zinc/59/34/00/482593400.db2.gz AXZKPLYFSSBZIO-GXTWGEPZSA-N 1 3 280.416 1.206 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340378 1161145816 /nfs/dbraw/zinc/14/58/16/1161145816.db2.gz VBYHRFZCYNXATO-HUUCEWRRSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000334906750 526430079 /nfs/dbraw/zinc/43/00/79/526430079.db2.gz LSUGYCGMWPSFBU-CHWSQXEVSA-N 1 3 280.416 1.029 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000334904875 526586501 /nfs/dbraw/zinc/58/65/01/526586501.db2.gz AKJSNGKMQAVZTN-KGLIPLIRSA-N 1 3 294.443 1.419 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971201498 613290417 /nfs/dbraw/zinc/29/04/17/613290417.db2.gz OKYDBNJBWOFABT-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971201498 613290418 /nfs/dbraw/zinc/29/04/18/613290418.db2.gz OKYDBNJBWOFABT-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326552 613299715 /nfs/dbraw/zinc/29/97/15/613299715.db2.gz UMLJDPGITABAIH-ZNMIVQPWSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970326552 613299717 /nfs/dbraw/zinc/29/97/17/613299717.db2.gz UMLJDPGITABAIH-ZNMIVQPWSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977453610 613341479 /nfs/dbraw/zinc/34/14/79/613341479.db2.gz OGZIWXQFBIOIRN-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977453610 613341480 /nfs/dbraw/zinc/34/14/80/613341480.db2.gz OGZIWXQFBIOIRN-GJZGRUSLSA-N 1 3 293.455 1.731 20 30 CDEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144806 613545810 /nfs/dbraw/zinc/54/58/10/613545810.db2.gz UKIQVEDUSYKXQL-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144806 613545813 /nfs/dbraw/zinc/54/58/13/613545813.db2.gz UKIQVEDUSYKXQL-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012293 613678501 /nfs/dbraw/zinc/67/85/01/613678501.db2.gz UZIHAVNKRYOTLD-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012293 613678502 /nfs/dbraw/zinc/67/85/02/613678502.db2.gz UZIHAVNKRYOTLD-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265876 613773961 /nfs/dbraw/zinc/77/39/61/613773961.db2.gz XVNVTUDWCUEVBI-XJKSGUPXSA-N 1 3 298.390 1.961 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265876 613773964 /nfs/dbraw/zinc/77/39/64/613773964.db2.gz XVNVTUDWCUEVBI-XJKSGUPXSA-N 1 3 298.390 1.961 20 30 CDEDHO C[C@H]1CCCN(C(C)(C)CNC(=[NH2+])N2CCOCC2)C1 ZINC000104178931 618055650 /nfs/dbraw/zinc/05/56/50/618055650.db2.gz MLKTZXKLEINTKO-ZDUSSCGKSA-N 1 3 282.432 1.144 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCCC1 ZINC000104182582 618081809 /nfs/dbraw/zinc/08/18/09/618081809.db2.gz ZDGHABMONOEBAB-CQSZACIVSA-N 1 3 296.459 1.724 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911699291 629423561 /nfs/dbraw/zinc/42/35/61/629423561.db2.gz PEXULNRLVRNVTI-STQMWFEESA-N 1 3 255.406 1.542 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911737549 629458024 /nfs/dbraw/zinc/45/80/24/629458024.db2.gz CJPBEASDNSNJIE-QWHCGFSZSA-N 1 3 255.406 1.624 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000911825995 629554402 /nfs/dbraw/zinc/55/44/02/629554402.db2.gz PLNJVLAPKFNYNC-AVGNSLFASA-N 1 3 253.390 1.256 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841357 629570132 /nfs/dbraw/zinc/57/01/32/629570132.db2.gz QLQLVSVEDRNUFE-OAHLLOKOSA-N 1 3 279.428 1.661 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001690356665 1175447286 /nfs/dbraw/zinc/44/72/86/1175447286.db2.gz QWFCRIIVDHOLHW-XQQFMLRXSA-N 1 3 253.390 1.140 20 30 CDEDHO C=CCOCCN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277401 1163225750 /nfs/dbraw/zinc/22/57/50/1163225750.db2.gz GRYAERREPOCHIJ-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCC[C@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252604027 1164573490 /nfs/dbraw/zinc/57/34/90/1164573490.db2.gz LFELUMRRAOEGHS-KRWDZBQOSA-N 1 3 295.471 1.273 20 30 CDEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001661615085 1172417162 /nfs/dbraw/zinc/41/71/62/1172417162.db2.gz WYKRJRMTMOHXKV-MJBXVCDLSA-N 1 3 267.417 1.386 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001671804353 1173714100 /nfs/dbraw/zinc/71/41/00/1173714100.db2.gz AHQGUUPMVIJSID-WBVHZDCISA-N 1 3 293.455 1.424 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001731384207 1182347362 /nfs/dbraw/zinc/34/73/62/1182347362.db2.gz CCDKUJNHWNATBC-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001752940283 1184972391 /nfs/dbraw/zinc/97/23/91/1184972391.db2.gz JXDZKBPQRVQSAR-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753447977 1185213459 /nfs/dbraw/zinc/21/34/59/1185213459.db2.gz KSBJUHVFVAOMTD-OAHLLOKOSA-N 1 3 279.428 1.274 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753874680 1185376110 /nfs/dbraw/zinc/37/61/10/1185376110.db2.gz AKHATCXNMVMRIT-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@H]21 ZINC001753874680 1185376119 /nfs/dbraw/zinc/37/61/19/1185376119.db2.gz AKHATCXNMVMRIT-HZPDHXFCSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753877058 1185376156 /nfs/dbraw/zinc/37/61/56/1185376156.db2.gz YHDAYWIMRJCAHS-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753877058 1185376162 /nfs/dbraw/zinc/37/61/62/1185376162.db2.gz YHDAYWIMRJCAHS-CVEARBPZSA-N 1 3 293.455 1.827 20 30 CDEDHO CC#CCNC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754179629 1185495288 /nfs/dbraw/zinc/49/52/88/1185495288.db2.gz LUWOOUKXQPMNGS-XITLMJRVSA-N 1 3 291.439 1.535 20 30 CDEDHO CC#CCNC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754179629 1185495291 /nfs/dbraw/zinc/49/52/91/1185495291.db2.gz LUWOOUKXQPMNGS-XITLMJRVSA-N 1 3 291.439 1.535 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001755676507 1186033994 /nfs/dbraw/zinc/03/39/94/1186033994.db2.gz QFNVLBAYWSCHLM-KBPBESRZSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001000101469 770468624 /nfs/dbraw/zinc/46/86/24/770468624.db2.gz FFKINQUFWVXFPH-LSDHHAIUSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015999399 770975394 /nfs/dbraw/zinc/97/53/94/770975394.db2.gz VBRCWEVWNDYEEE-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015999399 770975441 /nfs/dbraw/zinc/97/54/41/770975441.db2.gz VBRCWEVWNDYEEE-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023367151 769027339 /nfs/dbraw/zinc/02/73/39/769027339.db2.gz WIOAFZRYFLLQKU-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001023367151 769027346 /nfs/dbraw/zinc/02/73/46/769027346.db2.gz WIOAFZRYFLLQKU-HZPDHXFCSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)CC1(C)C ZINC000996674751 769308075 /nfs/dbraw/zinc/30/80/75/769308075.db2.gz WFHBSUVSKWMTDL-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#Cc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877746867 769543074 /nfs/dbraw/zinc/54/30/74/769543074.db2.gz ZXBQWMRLEFDHFC-UHFFFAOYSA-N 1 3 297.446 1.880 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537501 769616372 /nfs/dbraw/zinc/61/63/72/769616372.db2.gz MLQYIFOWRCDHLC-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537501 769616387 /nfs/dbraw/zinc/61/63/87/769616387.db2.gz MLQYIFOWRCDHLC-JKSUJKDBSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000838520104 769837876 /nfs/dbraw/zinc/83/78/76/769837876.db2.gz XIWVONKMQAWCRX-HNNXBMFYSA-N 1 3 294.443 1.115 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033099258 770030245 /nfs/dbraw/zinc/03/02/45/770030245.db2.gz OJIXPWHBQBXSDO-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033099258 770030258 /nfs/dbraw/zinc/03/02/58/770030258.db2.gz OJIXPWHBQBXSDO-OWCLPIDISA-N 1 3 293.455 1.826 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072849207 770098202 /nfs/dbraw/zinc/09/82/02/770098202.db2.gz XREDANGCDVDKJF-CYBMUJFWSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072849207 770098221 /nfs/dbraw/zinc/09/82/21/770098221.db2.gz XREDANGCDVDKJF-CYBMUJFWSA-N 1 3 265.401 1.047 20 30 CDEDHO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000303893238 770323625 /nfs/dbraw/zinc/32/36/25/770323625.db2.gz RVMYCOCJKBMPQB-OLZOCXBDSA-N 1 3 270.421 1.046 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001019817872 770370525 /nfs/dbraw/zinc/37/05/25/770370525.db2.gz IBXHZPKUJOLPQB-HNNXBMFYSA-N 1 3 285.391 1.186 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705369 770832096 /nfs/dbraw/zinc/83/20/96/770832096.db2.gz PAORXBWPZXQGRY-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705369 770832097 /nfs/dbraw/zinc/83/20/97/770832097.db2.gz PAORXBWPZXQGRY-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044630461 770857231 /nfs/dbraw/zinc/85/72/31/770857231.db2.gz WLOSMURDJQTCPM-ZIAGYGMSSA-N 1 3 279.428 1.626 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956688 770890073 /nfs/dbraw/zinc/89/00/73/770890073.db2.gz STZAWCOKTNRGFH-ZIAGYGMSSA-N 1 3 279.428 1.626 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992422163 771094792 /nfs/dbraw/zinc/09/47/92/771094792.db2.gz ZODBHHJLTBHXPP-HLLBOEOZSA-N 1 3 289.423 1.075 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992422163 771094799 /nfs/dbraw/zinc/09/47/99/771094799.db2.gz ZODBHHJLTBHXPP-HLLBOEOZSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001007645146 771180841 /nfs/dbraw/zinc/18/08/41/771180841.db2.gz LRESCBGBGMTFGM-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001007645146 771180847 /nfs/dbraw/zinc/18/08/47/771180847.db2.gz LRESCBGBGMTFGM-UONOGXRCSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999364304 771212209 /nfs/dbraw/zinc/21/22/09/771212209.db2.gz LJJAVUQWIYCXEL-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071795804 771343386 /nfs/dbraw/zinc/34/33/86/771343386.db2.gz NPQBMYOHOLVGCC-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001044744423 771505927 /nfs/dbraw/zinc/50/59/27/771505927.db2.gz OWHHHSYGWIRMIL-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000923383999 771602406 /nfs/dbraw/zinc/60/24/06/771602406.db2.gz PUHZOOHNEQPNIF-RRFJBIMHSA-N 1 3 289.379 1.157 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986357965 771850965 /nfs/dbraw/zinc/85/09/65/771850965.db2.gz VCFUCWUHLQAMLS-JSGCOSHPSA-N 1 3 265.401 1.236 20 30 CDEDHO C#CCN(C)CCCNC(=O)CCCC[NH+]1CCCC1 ZINC000818615800 771941724 /nfs/dbraw/zinc/94/17/24/771941724.db2.gz WAUFBUQWKSANGS-UHFFFAOYSA-N 1 3 279.428 1.324 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857283 772003284 /nfs/dbraw/zinc/00/32/84/772003284.db2.gz HOZDKOWWCCREJV-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537881 772017778 /nfs/dbraw/zinc/01/77/78/772017778.db2.gz UOYXGCCWDHJOHU-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537881 772017783 /nfs/dbraw/zinc/01/77/83/772017783.db2.gz UOYXGCCWDHJOHU-HUUCEWRRSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035668478 772258388 /nfs/dbraw/zinc/25/83/88/772258388.db2.gz GXVAAQPKRJVXHH-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C[C@H]1CCC[C@@](CNC(=[NH2+])N(C)C2CC2)(N(C)C)C1 ZINC000305816031 772417763 /nfs/dbraw/zinc/41/77/63/772417763.db2.gz MGEPWXQGBFERBP-SWLSCSKDSA-N 1 3 266.433 1.906 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019381810 772585210 /nfs/dbraw/zinc/58/52/10/772585210.db2.gz WCXTUAHJRGAYQW-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C[NH+]=C(NCC1(N(C)C)CCCCC1)NC1CC1 ZINC000848981116 772655820 /nfs/dbraw/zinc/65/58/20/772655820.db2.gz MWCGLRQAUGFLPB-UHFFFAOYSA-N 1 3 252.406 1.578 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000303905518 772729847 /nfs/dbraw/zinc/72/98/47/772729847.db2.gz ZMGQMYVCYGQFTP-VNHYZAJKSA-N 1 3 284.448 1.436 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000303395782 772898624 /nfs/dbraw/zinc/89/86/24/772898624.db2.gz HHYDYPQJELRPTB-CQSZACIVSA-N 1 3 266.433 1.968 20 30 CDEDHO C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001054664305 772963489 /nfs/dbraw/zinc/96/34/89/772963489.db2.gz XRJOGXZSUANRTJ-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000987552067 773491247 /nfs/dbraw/zinc/49/12/47/773491247.db2.gz QFNIWRGSJRIHBS-WMLDXEAASA-N 1 3 299.418 1.574 20 30 CDEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398092 773564545 /nfs/dbraw/zinc/56/45/45/773564545.db2.gz FCPPGNLLJSMZSA-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001040398092 773564561 /nfs/dbraw/zinc/56/45/61/773564561.db2.gz FCPPGNLLJSMZSA-DOTOQJQBSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001574908383 1167641907 /nfs/dbraw/zinc/64/19/07/1167641907.db2.gz LWLJCZQPNJTPDN-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001574908383 1167641915 /nfs/dbraw/zinc/64/19/15/1167641915.db2.gz LWLJCZQPNJTPDN-KBPBESRZSA-N 1 3 267.417 1.518 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175107241 913446660 /nfs/dbraw/zinc/44/66/60/913446660.db2.gz MBMMKGWWPTUVSW-HUUCEWRRSA-N 1 3 281.444 1.470 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104289755 895388172 /nfs/dbraw/zinc/38/81/72/895388172.db2.gz TYEYDONESBMFDZ-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729440 898926874 /nfs/dbraw/zinc/92/68/74/898926874.db2.gz VUZUDICCWPOLQQ-ZIAGYGMSSA-N 1 3 288.395 1.050 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227796845 906624489 /nfs/dbraw/zinc/62/44/89/906624489.db2.gz BZEMBUYCLRZJTK-OAHLLOKOSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001088384138 907079217 /nfs/dbraw/zinc/07/92/17/907079217.db2.gz XRNNVRHLRSPZPL-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO CC(C)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)N[O-] ZINC001168314986 908990062 /nfs/dbraw/zinc/99/00/62/908990062.db2.gz JWYJVRPNOZAYTD-BPCQOVAHSA-N 1 3 271.405 1.369 20 30 CDEDHO C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)[C@H](C)C1 ZINC001093224918 909703079 /nfs/dbraw/zinc/70/30/79/909703079.db2.gz GUKDDLRBFYBAMY-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)[C@H](C)C1 ZINC001093224918 909703092 /nfs/dbraw/zinc/70/30/92/909703092.db2.gz GUKDDLRBFYBAMY-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001127066273 911263525 /nfs/dbraw/zinc/26/35/25/911263525.db2.gz KSCUHXCIBJLABB-AWEZNQCLSA-N 1 3 267.417 1.531 20 30 CDEDHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCC1 ZINC001484008875 915285408 /nfs/dbraw/zinc/28/54/08/915285408.db2.gz HUFYPSYLRAXLSC-HOTGVXAUSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182941839 918215488 /nfs/dbraw/zinc/21/54/88/918215488.db2.gz SXYQQJNFDLLNEX-GDBMZVCRSA-N 1 3 279.428 1.036 20 30 CDEDHO C#CC[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050662548 936562217 /nfs/dbraw/zinc/56/22/17/936562217.db2.gz KGDYEOMJNQPUGK-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185550629 919649334 /nfs/dbraw/zinc/64/93/34/919649334.db2.gz WCXFPORGYAXWGE-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185762111 919744601 /nfs/dbraw/zinc/74/46/01/919744601.db2.gz MFOICRVKVKALQL-CABCVRRESA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190444621 921996766 /nfs/dbraw/zinc/99/67/66/921996766.db2.gz RPXCPLVLMNMVIR-KGLIPLIRSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190444621 921996780 /nfs/dbraw/zinc/99/67/80/921996780.db2.gz RPXCPLVLMNMVIR-KGLIPLIRSA-N 1 3 285.407 1.385 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192378717 923042050 /nfs/dbraw/zinc/04/20/50/923042050.db2.gz XQLPWSNZTYTZQU-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192378717 923042064 /nfs/dbraw/zinc/04/20/64/923042064.db2.gz XQLPWSNZTYTZQU-OAHLLOKOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295952 924170087 /nfs/dbraw/zinc/17/00/87/924170087.db2.gz SBCFMIZNFGTCPG-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194295952 924170092 /nfs/dbraw/zinc/17/00/92/924170092.db2.gz SBCFMIZNFGTCPG-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080255176 924520897 /nfs/dbraw/zinc/52/08/97/924520897.db2.gz PKAUDXHQPDVYQF-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080255176 924520902 /nfs/dbraw/zinc/52/09/02/924520902.db2.gz PKAUDXHQPDVYQF-HUUCEWRRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001082507263 924951357 /nfs/dbraw/zinc/95/13/57/924951357.db2.gz JJDFAUJIMZZQCS-OAGGEKHMSA-N 1 3 293.455 1.872 20 30 CDEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330356 937053197 /nfs/dbraw/zinc/05/31/97/937053197.db2.gz QNWJCAYTDKGPKU-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330356 937053200 /nfs/dbraw/zinc/05/32/00/937053200.db2.gz QNWJCAYTDKGPKU-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589644 926197801 /nfs/dbraw/zinc/19/78/01/926197801.db2.gz QEYHHHIOIPCEAP-CVEARBPZSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085589644 926197808 /nfs/dbraw/zinc/19/78/08/926197808.db2.gz QEYHHHIOIPCEAP-CVEARBPZSA-N 1 3 293.455 1.968 20 30 CDEDHO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773731 929892849 /nfs/dbraw/zinc/89/28/49/929892849.db2.gz RAXRHYURNQMRDM-CHWSQXEVSA-N 1 3 267.417 1.223 20 30 CDEDHO C=CCN1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001115998678 937426993 /nfs/dbraw/zinc/42/69/93/937426993.db2.gz MZBLRGHLCVKJJQ-UHFFFAOYSA-N 1 3 253.390 1.141 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824404 937474125 /nfs/dbraw/zinc/47/41/25/937474125.db2.gz SNVVIYQCDJEXHE-HIFRSBDPSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824404 937474128 /nfs/dbraw/zinc/47/41/28/937474128.db2.gz SNVVIYQCDJEXHE-HIFRSBDPSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579708 937560173 /nfs/dbraw/zinc/56/01/73/937560173.db2.gz ARJLOJTTYXYAKZ-CQSZACIVSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C)CC1 ZINC001146571078 932266845 /nfs/dbraw/zinc/26/68/45/932266845.db2.gz KRFQXRRNNFEYFL-GJZGRUSLSA-N 1 3 291.439 1.391 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226647 937651085 /nfs/dbraw/zinc/65/10/85/937651085.db2.gz MBCBDUXNASJTLW-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226647 937651086 /nfs/dbraw/zinc/65/10/86/937651086.db2.gz MBCBDUXNASJTLW-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121727393 937881496 /nfs/dbraw/zinc/88/14/96/937881496.db2.gz BIBVCIGDDJSMAW-UKEPKTAJSA-N 1 3 293.455 1.776 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156157417 938326001 /nfs/dbraw/zinc/32/60/01/938326001.db2.gz VTOCMWUNZNHYGM-OAHLLOKOSA-N 1 3 293.455 1.567 20 30 CDEDHO N#Cc1cc(Cl)ncc1C(F)(F)N[C@@H](N)CCC[NH3+] ZINC001159787202 938753470 /nfs/dbraw/zinc/75/34/70/938753470.db2.gz TXCJDZMKVDRCFH-SNVBAGLBSA-N 1 3 289.717 1.269 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687267 939626769 /nfs/dbraw/zinc/62/67/69/939626769.db2.gz LHOWZXYSKWZGOH-MRXNPFEDSA-N 1 3 297.418 1.318 20 30 CDEDHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203519653 939691001 /nfs/dbraw/zinc/69/10/01/939691001.db2.gz BERQQRXKLQEDMU-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO COc1cc(CN2CCC[C@](O)(C[NH3+])CC2)ccc1C#N ZINC001205248922 939842576 /nfs/dbraw/zinc/84/25/76/939842576.db2.gz TYXBCFQPSINKKQ-MRXNPFEDSA-N 1 3 289.379 1.243 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642478 940621944 /nfs/dbraw/zinc/62/19/44/940621944.db2.gz NPVLJDPIRYEMDI-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668717 940624561 /nfs/dbraw/zinc/62/45/61/940624561.db2.gz HGRZFCUVQYMNEG-GJZGRUSLSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211287047 940745131 /nfs/dbraw/zinc/74/51/31/940745131.db2.gz YURYCCJHXYLXRI-AWEZNQCLSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571423 940895226 /nfs/dbraw/zinc/89/52/26/940895226.db2.gz NYVFAPQZPLTXGM-KFWWJZLASA-N 1 3 281.444 1.729 20 30 CDEDHO C[C@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CCC[NH2+]1 ZINC001218553037 941235515 /nfs/dbraw/zinc/23/55/15/941235515.db2.gz MYQUTWXXVZSRSF-CQSZACIVSA-N 1 3 290.392 1.346 20 30 CDEDHO C=C1CC=C(F)C=C1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220797845 941473020 /nfs/dbraw/zinc/47/30/20/941473020.db2.gz XLCFRRQDZDEZLC-ZDUSSCGKSA-N 1 3 265.332 1.127 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001220868416 941479069 /nfs/dbraw/zinc/47/90/69/941479069.db2.gz IOLMURWLYNCOCH-KBPBESRZSA-N 1 3 265.401 1.143 20 30 CDEDHO C#CCCC1(CCNC(=O)[C@@H](N)CCCC[NH+](C)C)N=N1 ZINC001221409533 941532237 /nfs/dbraw/zinc/53/22/37/941532237.db2.gz OUGNLNQMNIFXIK-ZDUSSCGKSA-N 1 3 293.415 1.127 20 30 CDEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472801 941679960 /nfs/dbraw/zinc/67/99/60/941679960.db2.gz VIBOAQKBKFCJPM-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC001263098695 943742761 /nfs/dbraw/zinc/74/27/61/943742761.db2.gz LDYJVYUJRBFWGK-CHWSQXEVSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC001263098695 943742767 /nfs/dbraw/zinc/74/27/67/943742767.db2.gz LDYJVYUJRBFWGK-CHWSQXEVSA-N 1 3 255.406 1.517 20 30 CDEDHO C=CC[NH2+]CCN(Cc1ccccc1)[C@@H]1CCNC[C@H]1F ZINC001235938200 944327060 /nfs/dbraw/zinc/32/70/60/944327060.db2.gz YZOOKNXRIQBTBR-IAGOWNOFSA-N 1 3 291.414 1.964 20 30 CDEDHO C=C[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001253606642 951991659 /nfs/dbraw/zinc/99/16/59/951991659.db2.gz LSCDSJBHETYJQT-MRXNPFEDSA-N 1 3 275.396 1.430 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340105871 962749615 /nfs/dbraw/zinc/74/96/15/962749615.db2.gz PDLFHBKUWIGAJH-LSDHHAIUSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001340105871 962749623 /nfs/dbraw/zinc/74/96/23/962749623.db2.gz PDLFHBKUWIGAJH-LSDHHAIUSA-N 1 3 281.444 1.860 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC001340853549 963156361 /nfs/dbraw/zinc/15/63/61/963156361.db2.gz NKVILBHVFVBVNQ-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC001340853549 963156368 /nfs/dbraw/zinc/15/63/68/963156368.db2.gz NKVILBHVFVBVNQ-UONOGXRCSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001340937512 963201453 /nfs/dbraw/zinc/20/14/53/963201453.db2.gz ZHALGRUZITWRHU-CYBMUJFWSA-N 1 3 265.401 1.272 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001353646487 968122544 /nfs/dbraw/zinc/12/25/44/968122544.db2.gz RZKBUMSXJJJVOF-VHSXEESVSA-N 1 3 294.424 1.581 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001100383031 968181505 /nfs/dbraw/zinc/18/15/05/968181505.db2.gz IELYVBHDMZRLQA-UYSNPLJNSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001391949958 977162435 /nfs/dbraw/zinc/16/24/35/977162435.db2.gz MLXMNTWYOKDBQL-YPMHNXCESA-N 1 3 289.851 1.667 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433963 1163288165 /nfs/dbraw/zinc/28/81/65/1163288165.db2.gz SHTXZYHIMAFSJW-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[C@@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001574903793 1171044579 /nfs/dbraw/zinc/04/45/79/1171044579.db2.gz WWFFOWIEMGSDTM-BFHYXJOUSA-N 1 3 265.401 1.365 20 30 CDEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000591570697 342637262 /nfs/dbraw/zinc/63/72/62/342637262.db2.gz CETVTISEHIRTKD-IXDOHACOSA-N 1 3 290.455 1.875 20 30 CDEDHO N#CCCOCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602850015 344626042 /nfs/dbraw/zinc/62/60/42/344626042.db2.gz UBMOCKUXPYFLAG-UHFFFAOYSA-N 1 3 274.368 1.524 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1 ZINC000264069182 362957099 /nfs/dbraw/zinc/95/70/99/362957099.db2.gz FVRVXHXNZQXWJL-CABCVRRESA-N 1 3 290.411 1.109 20 30 CDEDHO CN(C)CCOc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000264114034 362970436 /nfs/dbraw/zinc/97/04/36/362970436.db2.gz POVJXHQMBOYFBI-UHFFFAOYSA-N 1 3 276.384 1.194 20 30 CDEDHO CCN(CC)C(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000264130741 362974255 /nfs/dbraw/zinc/97/42/55/362974255.db2.gz XZJHOEYMFRMEER-UHFFFAOYSA-N 1 3 292.427 1.784 20 30 CDEDHO COCCNC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000058166045 357381391 /nfs/dbraw/zinc/38/13/91/357381391.db2.gz HTRTULBSAFSVJY-UHFFFAOYSA-N 1 3 278.400 1.059 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000236665709 358795315 /nfs/dbraw/zinc/79/53/15/358795315.db2.gz ZZEXFEMZGXEPJL-RDJZCZTQSA-N 1 3 293.455 1.801 20 30 CDEDHO N#C[C@H]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000442788926 391039806 /nfs/dbraw/zinc/03/98/06/391039806.db2.gz GFRKQZJLDLHBHE-LSDHHAIUSA-N 1 3 277.412 1.913 20 30 CDEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352437823 391137917 /nfs/dbraw/zinc/13/79/17/391137917.db2.gz ICNHDPQWJWPUJV-BMFZPTHFSA-N 1 3 283.375 1.736 20 30 CDEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352437823 391137920 /nfs/dbraw/zinc/13/79/20/391137920.db2.gz ICNHDPQWJWPUJV-BMFZPTHFSA-N 1 3 283.375 1.736 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000262671746 131249598 /nfs/dbraw/zinc/24/95/98/131249598.db2.gz OSWADIKVJJYKMQ-MRXNPFEDSA-N 1 3 287.407 1.323 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659450245 413836118 /nfs/dbraw/zinc/83/61/18/413836118.db2.gz IPCYTOXGBODQOX-UHFFFAOYSA-N 1 3 268.405 1.016 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)N1 ZINC000262471739 330015551 /nfs/dbraw/zinc/01/55/51/330015551.db2.gz BFLQWMMGQIIUIB-UPJWGTAASA-N 1 3 266.433 1.680 20 30 CDEDHO C[C@H]1C[NH+]=C(NC[C@H]2CCCN2CC2CCCCC2)N1 ZINC000262634668 330023742 /nfs/dbraw/zinc/02/37/42/330023742.db2.gz GLWCOJMDYXVKDF-DZGCQCFKSA-N 1 3 278.444 1.968 20 30 CDEDHO CN(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135425 330270439 /nfs/dbraw/zinc/27/04/39/330270439.db2.gz MGVAFUSDXIOCJU-HUUCEWRRSA-N 1 3 288.395 1.427 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000424143204 330286986 /nfs/dbraw/zinc/28/69/86/330286986.db2.gz ZJVQQEANMXVPBW-RDBSUJKOSA-N 1 3 265.401 1.148 20 30 CDEDHO C#CCNC(=O)CCNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000491669203 332276888 /nfs/dbraw/zinc/27/68/88/332276888.db2.gz NNZNRTANTLNVBU-HNNXBMFYSA-N 1 3 279.428 1.084 20 30 CDEDHO C#CCNC(=O)CCNC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000491669203 332276890 /nfs/dbraw/zinc/27/68/90/332276890.db2.gz NNZNRTANTLNVBU-HNNXBMFYSA-N 1 3 279.428 1.084 20 30 CDEDHO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000491669203 332276892 /nfs/dbraw/zinc/27/68/92/332276892.db2.gz NNZNRTANTLNVBU-HNNXBMFYSA-N 1 3 279.428 1.084 20 30 CDEDHO C#CCNC(=O)CCN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000491747067 332324445 /nfs/dbraw/zinc/32/44/45/332324445.db2.gz CCYHMBPGEDVGLE-HZPDHXFCSA-N 1 3 293.455 1.616 20 30 CDEDHO C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001754448481 1159212692 /nfs/dbraw/zinc/21/26/92/1159212692.db2.gz ZYPVBBRYBFFHST-HNNXBMFYSA-N 1 3 291.439 1.369 20 30 CDEDHO CC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001753626053 1159865487 /nfs/dbraw/zinc/86/54/87/1159865487.db2.gz OENVEXRRCNKVAT-CQSZACIVSA-N 1 3 279.428 1.226 20 30 CDEDHO C=C(CN(C)C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000764624184 575926976 /nfs/dbraw/zinc/92/69/76/575926976.db2.gz NJWVQJULDIETKT-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792756 612994181 /nfs/dbraw/zinc/99/41/81/612994181.db2.gz KNZLGGCJEPALDZ-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969792756 612994182 /nfs/dbraw/zinc/99/41/82/612994182.db2.gz KNZLGGCJEPALDZ-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676804 613302317 /nfs/dbraw/zinc/30/23/17/613302317.db2.gz JBEVNPJCKDNMQR-BBRMVZONSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)C[NH+]1CCC(Nc2ccncc2CO)CC1 ZINC000892397158 618139451 /nfs/dbraw/zinc/13/94/51/618139451.db2.gz UUCJPTCAAMYIEL-UHFFFAOYSA-N 1 3 261.369 1.448 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](N)c1ccccc1OC ZINC000911665751 629385790 /nfs/dbraw/zinc/38/57/90/629385790.db2.gz SYZVYKDNUIHABO-UONOGXRCSA-N 1 3 291.395 1.495 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423891 1163277112 /nfs/dbraw/zinc/27/71/12/1163277112.db2.gz CPUIQZKWAJJMRK-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CC[C@@H](C(=O)OC)N1CCC2(C1)CC[NH2+]CC2 ZINC001574888328 1171038126 /nfs/dbraw/zinc/03/81/26/1171038126.db2.gz HOMGPYSSOOXEGZ-LBPRGKRZSA-N 1 3 252.358 1.180 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC001574921284 1171049558 /nfs/dbraw/zinc/04/95/58/1171049558.db2.gz XAEPQWQPBHLTGO-AWEZNQCLSA-N 1 3 283.460 1.977 20 30 CDEDHO C=CC[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001752060133 1184814801 /nfs/dbraw/zinc/81/48/01/1184814801.db2.gz KXOROPBVFAYKCE-INIZCTEOSA-N 1 3 299.434 1.823 20 30 CDEDHO C=CC[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001752060133 1184814806 /nfs/dbraw/zinc/81/48/06/1184814806.db2.gz KXOROPBVFAYKCE-INIZCTEOSA-N 1 3 299.434 1.823 20 30 CDEDHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001753592505 1185260942 /nfs/dbraw/zinc/26/09/42/1185260942.db2.gz PWTLNJMNGOIVTE-QGZVFWFLSA-N 1 3 299.418 1.367 20 30 CDEDHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001753592505 1185260946 /nfs/dbraw/zinc/26/09/46/1185260946.db2.gz PWTLNJMNGOIVTE-QGZVFWFLSA-N 1 3 299.418 1.367 20 30 CDEDHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753860757 1185369531 /nfs/dbraw/zinc/36/95/31/1185369531.db2.gz JADCVZWENIMDEX-KBPBESRZSA-N 1 3 267.417 1.293 20 30 CDEDHO C=CCN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753860757 1185369539 /nfs/dbraw/zinc/36/95/39/1185369539.db2.gz JADCVZWENIMDEX-KBPBESRZSA-N 1 3 267.417 1.293 20 30 CDEDHO C=C(C)C[NH2+]CCN(CC)C(=O)CN1CC[C@H](C)C1 ZINC001754067126 1185448012 /nfs/dbraw/zinc/44/80/12/1185448012.db2.gz KWXZHNWEGPYVAA-AWEZNQCLSA-N 1 3 267.417 1.342 20 30 CDEDHO C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001754253266 1185531418 /nfs/dbraw/zinc/53/14/18/1185531418.db2.gz FLSBTURYMHBIBO-WBVHZDCISA-N 1 3 299.418 1.084 20 30 CDEDHO C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754253266 1185531423 /nfs/dbraw/zinc/53/14/23/1185531423.db2.gz FLSBTURYMHBIBO-WBVHZDCISA-N 1 3 299.418 1.084 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001755029750 1185790685 /nfs/dbraw/zinc/79/06/85/1185790685.db2.gz PXFDTBDZNAYLGE-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001755559426 1185990880 /nfs/dbraw/zinc/99/08/80/1185990880.db2.gz BQWYFFVRUYNIDH-HNNXBMFYSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706352 1164169143 /nfs/dbraw/zinc/16/91/43/1164169143.db2.gz SUCPSIMQCBAEGT-KGLIPLIRSA-N 1 3 267.417 1.224 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001050563299 778698949 /nfs/dbraw/zinc/69/89/49/778698949.db2.gz IXAQLKGIMCFVEL-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038262825 773864129 /nfs/dbraw/zinc/86/41/29/773864129.db2.gz OTMKLJDECZTGRC-GJZGRUSLSA-N 1 3 277.412 1.095 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C)c(C)s1 ZINC000304765163 774134791 /nfs/dbraw/zinc/13/47/91/774134791.db2.gz YYCCQYULTLVEQW-GFCCVEGCSA-N 1 3 295.456 1.649 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072851466 774149978 /nfs/dbraw/zinc/14/99/78/774149978.db2.gz WMZUIWHKYLMSES-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001072851466 774149992 /nfs/dbraw/zinc/14/99/92/774149992.db2.gz WMZUIWHKYLMSES-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO CC#CCN1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028657214 774251938 /nfs/dbraw/zinc/25/19/38/774251938.db2.gz WYXYYMQNCDZEHC-OAHLLOKOSA-N 1 3 289.423 1.076 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161543 774818837 /nfs/dbraw/zinc/81/88/37/774818837.db2.gz HAUVQSOYHOLNDE-MGPQQGTHSA-N 1 3 297.830 1.318 20 30 CDEDHO C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005184232 774823658 /nfs/dbraw/zinc/82/36/58/774823658.db2.gz LAYRCUAZAMMHIS-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO Cc1ccc(NCC[N@@H+](C)CCCN(C)C)c(C#N)n1 ZINC000882600094 776303860 /nfs/dbraw/zinc/30/38/60/776303860.db2.gz GJUKYNGOEQZUTA-UHFFFAOYSA-N 1 3 275.400 1.557 20 30 CDEDHO Cc1ccc(NCC[N@H+](C)CCCN(C)C)c(C#N)n1 ZINC000882600094 776303874 /nfs/dbraw/zinc/30/38/74/776303874.db2.gz GJUKYNGOEQZUTA-UHFFFAOYSA-N 1 3 275.400 1.557 20 30 CDEDHO CN(C[C@H](O)CC1(C#N)CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000886018498 776308379 /nfs/dbraw/zinc/30/83/79/776308379.db2.gz BDCNDPIKZFJJLJ-LSDHHAIUSA-N 1 3 279.428 1.705 20 30 CDEDHO CN(C[C@H](O)CC1(C#N)CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000886018498 776308382 /nfs/dbraw/zinc/30/83/82/776308382.db2.gz BDCNDPIKZFJJLJ-LSDHHAIUSA-N 1 3 279.428 1.705 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800407 776988184 /nfs/dbraw/zinc/98/81/84/776988184.db2.gz XBXVXNJHQUWWOT-ARFHVFGLSA-N 1 3 289.423 1.047 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996665584 777118459 /nfs/dbraw/zinc/11/84/59/777118459.db2.gz MTOHAKZCAFESEZ-UHFFFAOYSA-N 1 3 299.846 1.804 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009200832 777160479 /nfs/dbraw/zinc/16/04/79/777160479.db2.gz HJOLGTRGCZMSBI-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009200832 777160485 /nfs/dbraw/zinc/16/04/85/777160485.db2.gz HJOLGTRGCZMSBI-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000985654562 777829522 /nfs/dbraw/zinc/82/95/22/777829522.db2.gz ATRICKSQAKDFGD-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000985654562 777829524 /nfs/dbraw/zinc/82/95/24/777829524.db2.gz ATRICKSQAKDFGD-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562909 778065457 /nfs/dbraw/zinc/06/54/57/778065457.db2.gz YSSUJWOAOIGRNN-LSDHHAIUSA-N 1 3 279.428 1.129 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028317281 778074819 /nfs/dbraw/zinc/07/48/19/778074819.db2.gz ZMDWWYZMHYRIDV-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028317281 778074837 /nfs/dbraw/zinc/07/48/37/778074837.db2.gz ZMDWWYZMHYRIDV-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001009628478 778824936 /nfs/dbraw/zinc/82/49/36/778824936.db2.gz OWSBIPVJUKISGR-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001009628478 778824938 /nfs/dbraw/zinc/82/49/38/778824938.db2.gz OWSBIPVJUKISGR-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C#C[C@@H](C)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849020364 778985420 /nfs/dbraw/zinc/98/54/20/778985420.db2.gz ZZMFTAPCPFYKBL-CQSZACIVSA-N 1 3 284.407 1.787 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579491 779413885 /nfs/dbraw/zinc/41/38/85/779413885.db2.gz FVRDHGLVFGFBQR-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001028579491 779413889 /nfs/dbraw/zinc/41/38/89/779413889.db2.gz FVRDHGLVFGFBQR-CVEARBPZSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000876723826 779455703 /nfs/dbraw/zinc/45/57/03/779455703.db2.gz XYTNQGXXNSRYML-AVGNSLFASA-N 1 3 287.835 1.835 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000876723826 779455721 /nfs/dbraw/zinc/45/57/21/779455721.db2.gz XYTNQGXXNSRYML-AVGNSLFASA-N 1 3 287.835 1.835 20 30 CDEDHO C=CCC[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132542 779814561 /nfs/dbraw/zinc/81/45/61/779814561.db2.gz IBYHBPCQGVOJEO-GDBMZVCRSA-N 1 3 275.396 1.919 20 30 CDEDHO C[C@@H](C#N)OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000801926557 779838527 /nfs/dbraw/zinc/83/85/27/779838527.db2.gz XJVHCMWGIMGLGQ-HNNXBMFYSA-N 1 3 295.427 1.492 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000104181383 779854725 /nfs/dbraw/zinc/85/47/25/779854725.db2.gz AQUFGGBXHNCQMZ-ZDUSSCGKSA-N 1 3 252.406 1.587 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098651 779888954 /nfs/dbraw/zinc/88/89/54/779888954.db2.gz ITFJASAAHLLYHW-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033098651 779888956 /nfs/dbraw/zinc/88/89/56/779888956.db2.gz ITFJASAAHLLYHW-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C=CC[C@@H]1CC[C@H](NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001574900135 1167642743 /nfs/dbraw/zinc/64/27/43/1167642743.db2.gz RPZABQOXQNDTKF-NEPJUHHUSA-N 1 3 261.373 1.257 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225368 894906449 /nfs/dbraw/zinc/90/64/49/894906449.db2.gz SPLQQMKPYKCTEV-CQSZACIVSA-N 1 3 279.428 1.533 20 30 CDEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)nc3)C2)CC1 ZINC001140545777 896719351 /nfs/dbraw/zinc/71/93/51/896719351.db2.gz KIUVDPDBPMZJEF-UHFFFAOYSA-N 1 3 270.380 1.871 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931210 914363846 /nfs/dbraw/zinc/36/38/46/914363846.db2.gz WCWKGKOHFMNRTD-UHFFFAOYSA-N 1 3 287.835 1.711 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835522 910020957 /nfs/dbraw/zinc/02/09/57/910020957.db2.gz AIWALDGFMZNJFF-OCCSQVGLSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538863 915882163 /nfs/dbraw/zinc/88/21/63/915882163.db2.gz JJPZAGXPEJDUPN-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001485353521 916876192 /nfs/dbraw/zinc/87/61/92/916876192.db2.gz VSMYFPLNUHYSGE-KBPBESRZSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001485353521 916876196 /nfs/dbraw/zinc/87/61/96/916876196.db2.gz VSMYFPLNUHYSGE-KBPBESRZSA-N 1 3 269.433 1.729 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107042340 917897016 /nfs/dbraw/zinc/89/70/16/917897016.db2.gz ICXHHYCYUMNTFC-OAGGEKHMSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185361330 919547469 /nfs/dbraw/zinc/54/74/69/919547469.db2.gz YHKKQOGKWHYLTB-HOTGVXAUSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186082939 919860527 /nfs/dbraw/zinc/86/05/27/919860527.db2.gz OYHCXIWVLOKHCQ-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082939 919860532 /nfs/dbraw/zinc/86/05/32/919860532.db2.gz OYHCXIWVLOKHCQ-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001186082939 919860535 /nfs/dbraw/zinc/86/05/35/919860535.db2.gz OYHCXIWVLOKHCQ-CVEARBPZSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843125 920683406 /nfs/dbraw/zinc/68/34/06/920683406.db2.gz UUIGPLYQRDWOCR-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035596 936710463 /nfs/dbraw/zinc/71/04/63/936710463.db2.gz DACWOMRWPMXMPX-GJZGRUSLSA-N 1 3 291.439 1.674 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192946725 923330920 /nfs/dbraw/zinc/33/09/20/923330920.db2.gz FMKNWHCZSQLOIY-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192946725 923330933 /nfs/dbraw/zinc/33/09/33/923330933.db2.gz FMKNWHCZSQLOIY-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330075 937052829 /nfs/dbraw/zinc/05/28/29/937052829.db2.gz ANTSAIRJSMOMPK-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330075 937052831 /nfs/dbraw/zinc/05/28/31/937052831.db2.gz ANTSAIRJSMOMPK-BZUAXINKSA-N 1 3 295.471 1.833 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525890 937062806 /nfs/dbraw/zinc/06/28/06/937062806.db2.gz ZWCJBZPLBOKVEP-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C1 ZINC001102525890 937062808 /nfs/dbraw/zinc/06/28/08/937062808.db2.gz ZWCJBZPLBOKVEP-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156530059 928742171 /nfs/dbraw/zinc/74/21/71/928742171.db2.gz IXATXXXFYUAKQO-OAHLLOKOSA-N 1 3 299.459 1.357 20 30 CDEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156530059 928742173 /nfs/dbraw/zinc/74/21/73/928742173.db2.gz IXATXXXFYUAKQO-OAHLLOKOSA-N 1 3 299.459 1.357 20 30 CDEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979575 930579349 /nfs/dbraw/zinc/57/93/49/930579349.db2.gz HLXNIBZKCISHHA-UONOGXRCSA-N 1 3 269.433 1.777 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171261141 932187250 /nfs/dbraw/zinc/18/72/50/932187250.db2.gz QOOFKVKRKFDGLC-CQSZACIVSA-N 1 3 279.428 1.369 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154784194 937585771 /nfs/dbraw/zinc/58/57/71/937585771.db2.gz AGPMBJJBEQCIMG-CVEARBPZSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154784194 937585774 /nfs/dbraw/zinc/58/57/74/937585774.db2.gz AGPMBJJBEQCIMG-CVEARBPZSA-N 1 3 293.455 1.568 20 30 CDEDHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001148639073 932768770 /nfs/dbraw/zinc/76/87/70/932768770.db2.gz ZRYMYAIJIWEWJR-UHFFFAOYSA-N 1 3 288.395 1.106 20 30 CDEDHO N[C@@H](CCC[NH3+])C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161150069 938876462 /nfs/dbraw/zinc/87/64/62/938876462.db2.gz DFNCBRHYURCQFZ-KRWDZBQOSA-N 1 3 299.418 1.343 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226286 938880567 /nfs/dbraw/zinc/88/05/67/938880567.db2.gz BHUVWKYVTHDGND-UHFFFAOYSA-N 1 3 269.433 1.779 20 30 CDEDHO CN1CCC[C@@](C)(Nc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001162330171 939025766 /nfs/dbraw/zinc/02/57/66/939025766.db2.gz ASMMMXHTHAYJAY-QGZVFWFLSA-N 1 3 299.422 1.885 20 30 CDEDHO C=CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010072 939590158 /nfs/dbraw/zinc/59/01/58/939590158.db2.gz GIAZYVTZIWNKSZ-CYBMUJFWSA-N 1 3 255.406 1.245 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793696 939704969 /nfs/dbraw/zinc/70/49/69/939704969.db2.gz SUGKQRHCLCCQQM-GJZGRUSLSA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207261819 940173880 /nfs/dbraw/zinc/17/38/80/940173880.db2.gz ATRGICSPSHQHAY-QLFBSQMISA-N 1 3 299.434 1.679 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207261819 940173882 /nfs/dbraw/zinc/17/38/82/940173882.db2.gz ATRGICSPSHQHAY-QLFBSQMISA-N 1 3 299.434 1.679 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207600946 940220547 /nfs/dbraw/zinc/22/05/47/940220547.db2.gz DZRMTMMHBRGEJJ-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207600946 940220549 /nfs/dbraw/zinc/22/05/49/940220549.db2.gz DZRMTMMHBRGEJJ-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001216002246 940915747 /nfs/dbraw/zinc/91/57/47/940915747.db2.gz POURSKRJICTERQ-HUUCEWRRSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851699 940968898 /nfs/dbraw/zinc/96/88/98/940968898.db2.gz GLEOWRVFNRZBET-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218559360 941236553 /nfs/dbraw/zinc/23/65/53/941236553.db2.gz JAHMNRFEEKINSJ-NSHDSACASA-N 1 3 277.372 1.119 20 30 CDEDHO C#Cc1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1F ZINC001219384118 941338121 /nfs/dbraw/zinc/33/81/21/941338121.db2.gz JIFJSUXQZABUNY-CQSZACIVSA-N 1 3 275.327 1.072 20 30 CDEDHO C=CC[C@@H](NC(=O)[C@@H](N)CCC[NH3+])c1ccccc1 ZINC001221357430 941521927 /nfs/dbraw/zinc/52/19/27/941521927.db2.gz GWUQEQHNVHRSSW-UONOGXRCSA-N 1 3 261.369 1.486 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408623 941532352 /nfs/dbraw/zinc/53/23/52/941532352.db2.gz JTHGPZZSUACHJG-HOTGVXAUSA-N 1 3 293.455 1.955 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558856 941769932 /nfs/dbraw/zinc/76/99/32/941769932.db2.gz JOVDXQJSAMORRH-HNNXBMFYSA-N 1 3 293.455 1.733 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226782300 942069812 /nfs/dbraw/zinc/06/98/12/942069812.db2.gz JTTZEVNHUMFSQW-ZIAGYGMSSA-N 1 3 279.428 1.674 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001263095177 943741899 /nfs/dbraw/zinc/74/18/99/943741899.db2.gz FYQYHMPSXSIEGN-KFWWJZLASA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001263095177 943741901 /nfs/dbraw/zinc/74/19/01/943741901.db2.gz FYQYHMPSXSIEGN-KFWWJZLASA-N 1 3 281.444 1.907 20 30 CDEDHO C=CC[NH2+]CCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000382745901 943942770 /nfs/dbraw/zinc/94/27/70/943942770.db2.gz TUNQXRPSBVHIFR-MRXNPFEDSA-N 1 3 273.424 1.968 20 30 CDEDHO CC[C@H](CC#N)NCCCOCCOCCC[NH3+] ZINC001255156393 947755807 /nfs/dbraw/zinc/75/58/07/947755807.db2.gz OPDYSISWZHFBMW-CYBMUJFWSA-N 1 3 257.378 1.040 20 30 CDEDHO C=C(C)C(=O)NCCC[NH2+][C@@H](C)CCN(CC)CC ZINC001255945303 948131722 /nfs/dbraw/zinc/13/17/22/948131722.db2.gz JQIRZDLIPWRRPS-AWEZNQCLSA-N 1 3 269.433 1.779 20 30 CDEDHO CC[N@H+](CCC#N)C1CCC(N2CCOCC2)CC1 ZINC001256695076 948402945 /nfs/dbraw/zinc/40/29/45/948402945.db2.gz MEJRFPGSMHMELP-UHFFFAOYSA-N 1 3 265.401 1.865 20 30 CDEDHO CC[N@@H+](CCC#N)C1CCC(N2CCOCC2)CC1 ZINC001256695076 948402949 /nfs/dbraw/zinc/40/29/49/948402949.db2.gz MEJRFPGSMHMELP-UHFFFAOYSA-N 1 3 265.401 1.865 20 30 CDEDHO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252470701 951321372 /nfs/dbraw/zinc/32/13/72/951321372.db2.gz NNBOUQHINGFMPP-BBWFWOEESA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252470701 951321379 /nfs/dbraw/zinc/32/13/79/951321379.db2.gz NNBOUQHINGFMPP-BBWFWOEESA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001252470701 951321388 /nfs/dbraw/zinc/32/13/88/951321388.db2.gz NNBOUQHINGFMPP-BBWFWOEESA-N 1 3 296.455 1.889 20 30 CDEDHO C=CCOC[C@@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001252470701 951321398 /nfs/dbraw/zinc/32/13/98/951321398.db2.gz NNBOUQHINGFMPP-BBWFWOEESA-N 1 3 296.455 1.889 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001328203914 955224579 /nfs/dbraw/zinc/22/45/79/955224579.db2.gz KYZZTXBMBHGTRV-LSDHHAIUSA-N 1 3 294.443 1.114 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001340042194 962706648 /nfs/dbraw/zinc/70/66/48/962706648.db2.gz UYLRIHDZJILXHQ-MCIONIFRSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001340042194 962706659 /nfs/dbraw/zinc/70/66/59/962706659.db2.gz UYLRIHDZJILXHQ-MCIONIFRSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001340218079 962823003 /nfs/dbraw/zinc/82/30/03/962823003.db2.gz KCXULMGMYVKBPP-HNNXBMFYSA-N 1 3 291.439 1.533 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562630 968708522 /nfs/dbraw/zinc/70/85/22/968708522.db2.gz UTYBZVGRUYEZSM-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678759 968933557 /nfs/dbraw/zinc/93/35/57/968933557.db2.gz VYFSFPUKKCNYKA-QQFBHYJXSA-N 1 3 293.455 1.779 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001357443486 969589724 /nfs/dbraw/zinc/58/97/24/969589724.db2.gz BDFUKLNVEUACJW-JSGCOSHPSA-N 1 3 253.390 1.176 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001399246264 976396466 /nfs/dbraw/zinc/39/64/66/976396466.db2.gz INECLZLWAIILMJ-QWHCGFSZSA-N 1 3 285.819 1.271 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423890 1163276012 /nfs/dbraw/zinc/27/60/12/1163276012.db2.gz CPUIQZKWAJJMRK-GJZGRUSLSA-N 1 3 297.443 1.110 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132931482 1163511482 /nfs/dbraw/zinc/51/14/82/1163511482.db2.gz AFXNMKXGAKUVTP-CABCVRRESA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[C@@]1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC001574516431 1170991148 /nfs/dbraw/zinc/99/11/48/1170991148.db2.gz FNWZRQNICLGHLT-YOEHRIQHSA-N 1 3 291.439 1.369 20 30 CDEDHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)ccc1C#N ZINC000234921039 342047809 /nfs/dbraw/zinc/04/78/09/342047809.db2.gz WNTDVGHQBHLFCV-CQSZACIVSA-N 1 3 273.380 1.998 20 30 CDEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3N)CC2)c1 ZINC000593323590 342788355 /nfs/dbraw/zinc/78/83/55/342788355.db2.gz QPNQBXVGCQVXFT-QZTJIDSGSA-N 1 3 298.434 1.992 20 30 CDEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000593323590 342788356 /nfs/dbraw/zinc/78/83/56/342788356.db2.gz QPNQBXVGCQVXFT-QZTJIDSGSA-N 1 3 298.434 1.992 20 30 CDEDHO CN1CC[C@@]2(C1)CCC[N@H+](CCOCCC#N)C2 ZINC000595504993 343079081 /nfs/dbraw/zinc/07/90/81/343079081.db2.gz OJOMEHUYWNDXNC-CQSZACIVSA-N 1 3 251.374 1.334 20 30 CDEDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOCCC#N)C2 ZINC000595504993 343079082 /nfs/dbraw/zinc/07/90/82/343079082.db2.gz OJOMEHUYWNDXNC-CQSZACIVSA-N 1 3 251.374 1.334 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000442769381 362088207 /nfs/dbraw/zinc/08/82/07/362088207.db2.gz QEVGKGKMMOFZPO-FGTMMUONSA-N 1 3 299.418 1.905 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442769381 362088212 /nfs/dbraw/zinc/08/82/12/362088212.db2.gz QEVGKGKMMOFZPO-FGTMMUONSA-N 1 3 299.418 1.905 20 30 CDEDHO C=CCCSCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000596649243 343370607 /nfs/dbraw/zinc/37/06/07/343370607.db2.gz DDJASXGSODDFRI-JHJVBQTASA-N 1 3 258.431 1.638 20 30 CDEDHO N#Cc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000600768897 349878429 /nfs/dbraw/zinc/87/84/29/349878429.db2.gz HQFFBJQXVKRWLA-STQMWFEESA-N 1 3 259.353 1.973 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCN1CCCC1 ZINC000598704896 343877137 /nfs/dbraw/zinc/87/71/37/343877137.db2.gz WDUKCJJSBQBWBB-CYBMUJFWSA-N 1 3 253.390 1.363 20 30 CDEDHO CC(C)(C#N)C[C@@H](O)CNCCC[NH+]1CCCC1 ZINC000598704896 343877139 /nfs/dbraw/zinc/87/71/39/343877139.db2.gz WDUKCJJSBQBWBB-CYBMUJFWSA-N 1 3 253.390 1.363 20 30 CDEDHO CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000598724405 343885117 /nfs/dbraw/zinc/88/51/17/343885117.db2.gz OSEAEGZUCORVJB-AWEZNQCLSA-N 1 3 281.444 1.999 20 30 CDEDHO CC(C)(C#N)C[C@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000598724405 343885119 /nfs/dbraw/zinc/88/51/19/343885119.db2.gz OSEAEGZUCORVJB-AWEZNQCLSA-N 1 3 281.444 1.999 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264105469 362968200 /nfs/dbraw/zinc/96/82/00/362968200.db2.gz PHFPGTLWBZUTOM-HNNXBMFYSA-N 1 3 285.395 1.447 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C)n1 ZINC000264115239 362971127 /nfs/dbraw/zinc/97/11/27/362971127.db2.gz PPHPLLCWHUHEMI-ZDUSSCGKSA-N 1 3 295.456 1.383 20 30 CDEDHO CC(C)N(C)Cc1ccccc1CNC(=[NH2+])N(C)C ZINC000170911325 365160468 /nfs/dbraw/zinc/16/04/68/365160468.db2.gz DXZQTODHHADWJT-UHFFFAOYSA-N 1 3 262.401 1.903 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000567669146 371088893 /nfs/dbraw/zinc/08/88/93/371088893.db2.gz QDQBTONMYTVLCY-CYBMUJFWSA-N 1 3 272.352 1.292 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000304255986 374055789 /nfs/dbraw/zinc/05/57/89/374055789.db2.gz AQFXBBKSLZSAPQ-CYBMUJFWSA-N 1 3 277.368 1.478 20 30 CDEDHO N#Cc1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC000304255986 374055795 /nfs/dbraw/zinc/05/57/95/374055795.db2.gz AQFXBBKSLZSAPQ-CYBMUJFWSA-N 1 3 277.368 1.478 20 30 CDEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CCCC1)CC2 ZINC000353406428 375476084 /nfs/dbraw/zinc/47/60/84/375476084.db2.gz WXACJTMEYSKPPL-DOTOQJQBSA-N 1 3 285.391 1.592 20 30 CDEDHO C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261952064 391739560 /nfs/dbraw/zinc/73/95/60/391739560.db2.gz HRJFGEKUKOSHDQ-RISCZKNCSA-N 1 3 292.431 1.112 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442710339 391728324 /nfs/dbraw/zinc/72/83/24/391728324.db2.gz CGXMPEOKZIRFLP-ZFWWWQNUSA-N 1 3 264.417 1.294 20 30 CDEDHO C=CC[C@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000661377928 414034190 /nfs/dbraw/zinc/03/41/90/414034190.db2.gz WVBPQINZKYSXHB-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C[C@@H](C(=O)N(C)CCC#N)N1CCC(C[NH+](C)C)CC1 ZINC000330727330 264026675 /nfs/dbraw/zinc/02/66/75/264026675.db2.gz GCKUAMCVBLBAAW-ZDUSSCGKSA-N 1 3 280.416 1.021 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446888 423865700 /nfs/dbraw/zinc/86/57/00/423865700.db2.gz MBWNJDOFDMBJHN-HOCLYGCPSA-N 1 3 277.412 1.143 20 30 CDEDHO CC#CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368139092 267147626 /nfs/dbraw/zinc/14/76/26/267147626.db2.gz NHCDFLQDEMPDCL-CVEARBPZSA-N 1 3 263.429 1.358 20 30 CDEDHO C[N@H+](C[C@@H](O)CNCCc1cccc(C#N)c1)C1CC1 ZINC000569096211 294155117 /nfs/dbraw/zinc/15/51/17/294155117.db2.gz WUOCKECFGWZVFL-INIZCTEOSA-N 1 3 273.380 1.145 20 30 CDEDHO C[N@@H+](C[C@@H](O)CNCCc1cccc(C#N)c1)C1CC1 ZINC000569096211 294155120 /nfs/dbraw/zinc/15/51/20/294155120.db2.gz WUOCKECFGWZVFL-INIZCTEOSA-N 1 3 273.380 1.145 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673379995 1173850882 /nfs/dbraw/zinc/85/08/82/1173850882.db2.gz GIYQAMNUCJSBPY-HOTGVXAUSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673379995 1173850883 /nfs/dbraw/zinc/85/08/83/1173850883.db2.gz GIYQAMNUCJSBPY-HOTGVXAUSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423149066 330172764 /nfs/dbraw/zinc/17/27/64/330172764.db2.gz AGTDLDWSOQXFGY-JSGCOSHPSA-N 1 3 263.385 1.826 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000424085799 330223184 /nfs/dbraw/zinc/22/31/84/330223184.db2.gz ZRQNAARPGKBUQE-AWEZNQCLSA-N 1 3 280.416 1.436 20 30 CDEDHO C[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C[NH+](C)C ZINC000424145728 330291517 /nfs/dbraw/zinc/29/15/17/330291517.db2.gz OILXAGLXCCSZIS-VXGBXAGGSA-N 1 3 268.405 1.100 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000490594272 332094029 /nfs/dbraw/zinc/09/40/29/332094029.db2.gz NZBCNSHOIDQWCS-HNNXBMFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000490594272 332094030 /nfs/dbraw/zinc/09/40/30/332094030.db2.gz NZBCNSHOIDQWCS-HNNXBMFYSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000491221689 332169243 /nfs/dbraw/zinc/16/92/43/332169243.db2.gz YXDWPEROEOXFRZ-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000491221689 332169245 /nfs/dbraw/zinc/16/92/45/332169245.db2.gz YXDWPEROEOXFRZ-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=C(CN(C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000764311270 575898962 /nfs/dbraw/zinc/89/89/62/575898962.db2.gz SDTYBSSJIXUDQC-KBPBESRZSA-N 1 3 281.444 1.588 20 30 CDEDHO C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2CC)C1 ZINC000970928794 612994380 /nfs/dbraw/zinc/99/43/80/612994380.db2.gz MGPSNLGJLYEFMH-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775347 613178019 /nfs/dbraw/zinc/17/80/19/613178019.db2.gz GMSHGURNJHMNGI-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775347 613178020 /nfs/dbraw/zinc/17/80/20/613178020.db2.gz GMSHGURNJHMNGI-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981143789 613493705 /nfs/dbraw/zinc/49/37/05/613493705.db2.gz VASFMTLZACDNLD-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000981143789 613493706 /nfs/dbraw/zinc/49/37/06/613493706.db2.gz VASFMTLZACDNLD-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143789 613493708 /nfs/dbraw/zinc/49/37/08/613493708.db2.gz VASFMTLZACDNLD-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981143789 613493709 /nfs/dbraw/zinc/49/37/09/613493709.db2.gz VASFMTLZACDNLD-INIZCTEOSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477971 613627280 /nfs/dbraw/zinc/62/72/80/613627280.db2.gz LFXAIZQNVXGUGC-HNNXBMFYSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682672 613629003 /nfs/dbraw/zinc/62/90/03/613629003.db2.gz OZRYEZBWKFKOEX-HOTGVXAUSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971682672 613629005 /nfs/dbraw/zinc/62/90/05/613629005.db2.gz OZRYEZBWKFKOEX-HOTGVXAUSA-N 1 3 293.455 1.968 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965065066 613857899 /nfs/dbraw/zinc/85/78/99/613857899.db2.gz UPQGFUZETFAPCY-DPGVGJJJSA-N 1 3 291.439 1.674 20 30 CDEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348464 1158779927 /nfs/dbraw/zinc/77/99/27/1158779927.db2.gz GIANHOCDVRXYDL-BZUAXINKSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773142 1164104360 /nfs/dbraw/zinc/10/43/60/1164104360.db2.gz LYEIGGVYNGTKNA-KGLIPLIRSA-N 1 3 281.444 1.613 20 30 CDEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706102 1164169951 /nfs/dbraw/zinc/16/99/51/1164169951.db2.gz OXCPGBJPLQXHIR-ZIAGYGMSSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262441 1164303599 /nfs/dbraw/zinc/30/35/99/1164303599.db2.gz HCFFYGIUDYUNIC-CABCVRRESA-N 1 3 281.444 1.779 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001566910422 1168463233 /nfs/dbraw/zinc/46/32/33/1168463233.db2.gz SOAMFDJYEJQDJK-CABCVRRESA-N 1 3 281.444 1.731 20 30 CDEDHO CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1CCC)C1CC1 ZINC001752460751 1184865830 /nfs/dbraw/zinc/86/58/30/1184865830.db2.gz RRGHBPPJKGZIFI-CVEARBPZSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001753331903 1185158019 /nfs/dbraw/zinc/15/80/19/1185158019.db2.gz CVMNEJQAPIUVKI-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001753331903 1185158020 /nfs/dbraw/zinc/15/80/20/1185158020.db2.gz CVMNEJQAPIUVKI-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001753713128 1185312957 /nfs/dbraw/zinc/31/29/57/1185312957.db2.gz YVHCYXISSTVWAN-CJNGLKHVSA-N 1 3 297.418 1.269 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754500154 1185646309 /nfs/dbraw/zinc/64/63/09/1185646309.db2.gz LHBBBALTTCEOCP-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001754500154 1185646312 /nfs/dbraw/zinc/64/63/12/1185646312.db2.gz LHBBBALTTCEOCP-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852105192 1164449614 /nfs/dbraw/zinc/44/96/14/1164449614.db2.gz JHNXQOQVDJGWRC-KBPBESRZSA-N 1 3 251.374 1.333 20 30 CDEDHO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852105192 1164449620 /nfs/dbraw/zinc/44/96/20/1164449620.db2.gz JHNXQOQVDJGWRC-KBPBESRZSA-N 1 3 251.374 1.333 20 30 CDEDHO C#CCN1CCC[C@@H](NC2CC[NH+](CCC)CC2)C1 ZINC000886659308 782551180 /nfs/dbraw/zinc/55/11/80/782551180.db2.gz IZXXVTQPFOKBSL-MRXNPFEDSA-N 1 3 263.429 1.548 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001037854560 783114367 /nfs/dbraw/zinc/11/43/67/783114367.db2.gz QQMAZJSXXTWKQW-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005412196 780327412 /nfs/dbraw/zinc/32/74/12/780327412.db2.gz IHKBAGONDZKBEU-UKRRQHHQSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005412196 780327415 /nfs/dbraw/zinc/32/74/15/780327415.db2.gz IHKBAGONDZKBEU-UKRRQHHQSA-N 1 3 279.428 1.435 20 30 CDEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001031713522 781395108 /nfs/dbraw/zinc/39/51/08/781395108.db2.gz AXRUDAQNRPUGSS-MRXNPFEDSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041139475 781445781 /nfs/dbraw/zinc/44/57/81/781445781.db2.gz GZZULNQMZBTYOY-NVXWUHKLSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041139475 781445804 /nfs/dbraw/zinc/44/58/04/781445804.db2.gz GZZULNQMZBTYOY-NVXWUHKLSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712501 783511195 /nfs/dbraw/zinc/51/11/95/783511195.db2.gz JMZSMPKTRKTXAD-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712501 783511211 /nfs/dbraw/zinc/51/12/11/783511211.db2.gz JMZSMPKTRKTXAD-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001121914575 913230097 /nfs/dbraw/zinc/23/00/97/913230097.db2.gz XKFHVVMJCWNSOC-KFWWJZLASA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001121914575 913230114 /nfs/dbraw/zinc/23/01/14/913230114.db2.gz XKFHVVMJCWNSOC-KFWWJZLASA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCSCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303990379 895616069 /nfs/dbraw/zinc/61/60/69/895616069.db2.gz YLHMTNYYZMPSHB-LBPRGKRZSA-N 1 3 270.446 1.294 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760082 914263394 /nfs/dbraw/zinc/26/33/94/914263394.db2.gz PQDLNXVQBXCYCN-JKSUJKDBSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690574 898890267 /nfs/dbraw/zinc/89/02/67/898890267.db2.gz HWCKCFTTXRGJAM-OAGGEKHMSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001176926646 914358716 /nfs/dbraw/zinc/35/87/16/914358716.db2.gz REAWSDIAOHAYCE-HNNXBMFYSA-N 1 3 293.455 1.474 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC(C)C)CC1 ZINC001176926816 914360050 /nfs/dbraw/zinc/36/00/50/914360050.db2.gz WFQUFLHARCKDIX-UHFFFAOYSA-N 1 3 293.455 1.474 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027583060 900626258 /nfs/dbraw/zinc/62/62/58/900626258.db2.gz RXVRRSBEBPVIME-KGLIPLIRSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027583060 900626263 /nfs/dbraw/zinc/62/62/63/900626263.db2.gz RXVRRSBEBPVIME-KGLIPLIRSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109499 906327688 /nfs/dbraw/zinc/32/76/88/906327688.db2.gz JEBUEKSPNAKWPB-PMPSAXMXSA-N 1 3 293.455 1.683 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109499 906327698 /nfs/dbraw/zinc/32/76/98/906327698.db2.gz JEBUEKSPNAKWPB-PMPSAXMXSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040115521 906791254 /nfs/dbraw/zinc/79/12/54/906791254.db2.gz PVWHWIPCVASDEJ-DOTOQJQBSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001040115521 906791260 /nfs/dbraw/zinc/79/12/60/906791260.db2.gz PVWHWIPCVASDEJ-DOTOQJQBSA-N 1 3 291.439 1.581 20 30 CDEDHO C[NH+](C)C1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001168298447 908922926 /nfs/dbraw/zinc/92/29/26/908922926.db2.gz UTYJSWMDMMVCDD-UHFFFAOYSA-N 1 3 264.348 1.799 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549487 915881498 /nfs/dbraw/zinc/88/14/98/915881498.db2.gz ARASSUNCPUJZQS-KBPBESRZSA-N 1 3 279.428 1.177 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179749071 915964533 /nfs/dbraw/zinc/96/45/33/915964533.db2.gz WKKGLOCORDLZPD-HOTGVXAUSA-N 1 3 293.455 1.711 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637469 917997061 /nfs/dbraw/zinc/99/70/61/917997061.db2.gz GBWNIPFVHSAVGO-IJEWVQPXSA-N 1 3 279.428 1.034 20 30 CDEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637507 917997619 /nfs/dbraw/zinc/99/76/19/917997619.db2.gz HMLIQFTZLUSWTQ-HLLBOEOZSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996301155 918242431 /nfs/dbraw/zinc/24/24/31/918242431.db2.gz QWJQKABNTKZPID-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C(=C)C[NH+]1CCCC1 ZINC001183085693 918278977 /nfs/dbraw/zinc/27/89/77/918278977.db2.gz DTUOZPWNUQLUKO-HNNXBMFYSA-N 1 3 277.412 1.405 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183268326 918420392 /nfs/dbraw/zinc/42/03/92/918420392.db2.gz UDTPQUOPGZXXBY-ZIAGYGMSSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581858 918552841 /nfs/dbraw/zinc/55/28/41/918552841.db2.gz MYXPLZQOGUMRLI-RBSFLKMASA-N 1 3 281.444 1.872 20 30 CDEDHO C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185215595 919481909 /nfs/dbraw/zinc/48/19/09/919481909.db2.gz MCKPMAJUXBVRQQ-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715985 919729124 /nfs/dbraw/zinc/72/91/24/919729124.db2.gz MYXPLZQOGUMRLI-KFWWJZLASA-N 1 3 281.444 1.872 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072813028 936710150 /nfs/dbraw/zinc/71/01/50/936710150.db2.gz CKNLXGHPSJYOFF-CQSZACIVSA-N 1 3 277.412 1.047 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072813028 936710151 /nfs/dbraw/zinc/71/01/51/936710151.db2.gz CKNLXGHPSJYOFF-CQSZACIVSA-N 1 3 277.412 1.047 20 30 CDEDHO N#Cc1cc(CN2CCC[C@](F)(C[NH3+])CC2)ccn1 ZINC001205591269 923008378 /nfs/dbraw/zinc/00/83/78/923008378.db2.gz JCMUAEBVOXEFKG-CQSZACIVSA-N 1 3 262.332 1.606 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201678814 926367749 /nfs/dbraw/zinc/36/77/49/926367749.db2.gz POACEZBOAKNQLC-OAHLLOKOSA-N 1 3 297.443 1.111 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443592 937142162 /nfs/dbraw/zinc/14/21/62/937142162.db2.gz BLAIDUWXCXKMEB-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001103443592 937142165 /nfs/dbraw/zinc/14/21/65/937142165.db2.gz BLAIDUWXCXKMEB-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO CCCCCCCC[C@@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021990 930871252 /nfs/dbraw/zinc/87/12/52/930871252.db2.gz NXGKSOJWPGLHAJ-ZNMIVQPWSA-N 1 3 272.433 1.349 20 30 CDEDHO C=CC[C@H](C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001144029358 931632385 /nfs/dbraw/zinc/63/23/85/931632385.db2.gz UYZQYNYSUAUZHM-NSHDSACASA-N 1 3 254.378 1.262 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001091058580 931773394 /nfs/dbraw/zinc/77/33/94/931773394.db2.gz RXUUHVODYMMSBQ-UYSNPLJNSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001091267464 932069363 /nfs/dbraw/zinc/06/93/63/932069363.db2.gz MGAGIIACOPBOAV-GPANFISMSA-N 1 3 293.455 1.920 20 30 CDEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171249002 932119763 /nfs/dbraw/zinc/11/97/63/932119763.db2.gz ZVKOXUJELGDTFX-ZBFHGGJFSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC)CC1 ZINC001146609687 932271500 /nfs/dbraw/zinc/27/15/00/932271500.db2.gz GAYSRCIDXLBCFM-GJZGRUSLSA-N 1 3 293.455 1.615 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154904218 937602194 /nfs/dbraw/zinc/60/21/94/937602194.db2.gz PVJXQROWTXZNDC-CQSZACIVSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148652138 932760568 /nfs/dbraw/zinc/76/05/68/932760568.db2.gz WQBNFXTUZLCFQW-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)CN(C)CCC)C2)C1 ZINC001148652138 932760575 /nfs/dbraw/zinc/76/05/75/932760575.db2.gz WQBNFXTUZLCFQW-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001148638805 932769630 /nfs/dbraw/zinc/76/96/30/932769630.db2.gz SLGHQFFMLSMRIA-UHFFFAOYSA-N 1 3 294.424 1.167 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCOC(C)C ZINC000305807846 935218254 /nfs/dbraw/zinc/21/82/54/935218254.db2.gz HHIWABGCVVWZPY-CQSZACIVSA-N 1 3 284.448 1.580 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001020347893 935735242 /nfs/dbraw/zinc/73/52/42/935735242.db2.gz DGVZHJAUTUGQEO-JOCQHMNTSA-N 1 3 297.830 1.604 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCC)CC1 ZINC001039042547 935767488 /nfs/dbraw/zinc/76/74/88/935767488.db2.gz SRGWBXOKWBLERU-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCC)CC1 ZINC001039042547 935767491 /nfs/dbraw/zinc/76/74/91/935767491.db2.gz SRGWBXOKWBLERU-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041141720 935794551 /nfs/dbraw/zinc/79/45/51/935794551.db2.gz PSEZPTSGDWWAKZ-ZBFHGGJFSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041141720 935794553 /nfs/dbraw/zinc/79/45/53/935794553.db2.gz PSEZPTSGDWWAKZ-ZBFHGGJFSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059268 936106274 /nfs/dbraw/zinc/10/62/74/936106274.db2.gz PCPQXJFAFCVXBA-OAGGEKHMSA-N 1 3 291.439 1.295 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059268 936106277 /nfs/dbraw/zinc/10/62/77/936106277.db2.gz PCPQXJFAFCVXBA-OAGGEKHMSA-N 1 3 291.439 1.295 20 30 CDEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121302259 937866719 /nfs/dbraw/zinc/86/67/19/937866719.db2.gz UZXJAYONAUAJEF-UKEPKTAJSA-N 1 3 291.439 1.367 20 30 CDEDHO CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798209 937883174 /nfs/dbraw/zinc/88/31/74/937883174.db2.gz IARIEHQPNMOWFV-LETWWHAPSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CCN1CCC[C@H]1CNc1ncnc2c1CC[NH2+]CC2 ZINC001160951314 938849102 /nfs/dbraw/zinc/84/91/02/938849102.db2.gz FFZCBZNTKBZGHT-ZDUSSCGKSA-N 1 3 287.411 1.227 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(Cl)cc(C#N)n1 ZINC001163127014 939206636 /nfs/dbraw/zinc/20/66/36/939206636.db2.gz WYRDWRJFYJDMDW-UHFFFAOYSA-N 1 3 294.790 1.885 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858400 939645101 /nfs/dbraw/zinc/64/51/01/939645101.db2.gz SUOMMHZCHOFKTB-ZDUSSCGKSA-N 1 3 255.406 1.389 20 30 CDEDHO C[C@H]1CCN(Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001205639232 939911375 /nfs/dbraw/zinc/91/13/75/939911375.db2.gz XTVDMXVEOPLQEO-GXTWGEPZSA-N 1 3 258.369 1.760 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210314697 940682699 /nfs/dbraw/zinc/68/26/99/940682699.db2.gz JGQQYQQFWXWEGO-ZFWWWQNUSA-N 1 3 264.369 1.017 20 30 CDEDHO N#C[C@@H]1CNC[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217832621 941022544 /nfs/dbraw/zinc/02/25/44/941022544.db2.gz PORBSWKTCXRWDQ-ZIAGYGMSSA-N 1 3 251.374 1.284 20 30 CDEDHO N#CCC1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088576 947939647 /nfs/dbraw/zinc/93/96/47/947939647.db2.gz LNVUDYKPRPQDRP-CLRIEMFWSA-N 1 3 269.364 1.111 20 30 CDEDHO C=C[C@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253578286 951965345 /nfs/dbraw/zinc/96/53/45/951965345.db2.gz YHPOANSNZKTJRL-IXDOHACOSA-N 1 3 294.439 1.214 20 30 CDEDHO C=C[C@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253578286 951965353 /nfs/dbraw/zinc/96/53/53/951965353.db2.gz YHPOANSNZKTJRL-IXDOHACOSA-N 1 3 294.439 1.214 20 30 CDEDHO C=C[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253585395 951973096 /nfs/dbraw/zinc/97/30/96/951973096.db2.gz XCWNVNYNNAXWHV-SJORKVTESA-N 1 3 274.408 1.987 20 30 CDEDHO C=C[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253585395 951973101 /nfs/dbraw/zinc/97/31/01/951973101.db2.gz XCWNVNYNNAXWHV-SJORKVTESA-N 1 3 274.408 1.987 20 30 CDEDHO C[NH+](C)CC#CCNC[C@H](O)c1ccc(Cl)c(F)c1 ZINC001336785340 960588218 /nfs/dbraw/zinc/58/82/18/960588218.db2.gz YRYAXRDKYVGHNY-AWEZNQCLSA-N 1 3 284.762 1.667 20 30 CDEDHO C=CCN1CCC(NC(=O)CCSCCC[NH3+])CC1 ZINC001340076636 962726060 /nfs/dbraw/zinc/72/60/60/962726060.db2.gz ISSYXEQPJKLGGH-UHFFFAOYSA-N 1 3 285.457 1.225 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001340267754 962852373 /nfs/dbraw/zinc/85/23/73/962852373.db2.gz WSROAIGWYIJWAI-XUXIUFHCSA-N 1 3 265.401 1.256 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001341605550 963480479 /nfs/dbraw/zinc/48/04/79/963480479.db2.gz OKYCZNRSDHEONV-LSDHHAIUSA-N 1 3 279.428 1.757 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001342052124 963621559 /nfs/dbraw/zinc/62/15/59/963621559.db2.gz JENMRYYCMWANEV-JHJVBQTASA-N 1 3 255.406 1.670 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC001342060173 963623279 /nfs/dbraw/zinc/62/32/79/963623279.db2.gz KDMQJWGMBIYNIC-CQSZACIVSA-N 1 3 279.359 1.584 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100675896 968927531 /nfs/dbraw/zinc/92/75/31/968927531.db2.gz BXUUCKGVHWSKBU-FHERZECASA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC000635530457 361766364 /nfs/dbraw/zinc/76/63/64/361766364.db2.gz CCDYEGLTITZQCX-UHFFFAOYSA-N 1 3 281.444 1.731 20 30 CDEDHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570837 342637115 /nfs/dbraw/zinc/63/71/15/342637115.db2.gz VIEUDRNKUUESSQ-XJKSGUPXSA-N 1 3 299.422 1.510 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000591577144 342637774 /nfs/dbraw/zinc/63/77/74/342637774.db2.gz NRMUIVKQRALHOV-KRWDZBQOSA-N 1 3 284.407 1.474 20 30 CDEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000439708669 361830934 /nfs/dbraw/zinc/83/09/34/361830934.db2.gz ZSNXFIQMKWDOAA-CHWSQXEVSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000439708669 361830937 /nfs/dbraw/zinc/83/09/37/361830937.db2.gz ZSNXFIQMKWDOAA-CHWSQXEVSA-N 1 3 251.374 1.773 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598195942 343727740 /nfs/dbraw/zinc/72/77/40/343727740.db2.gz XGROAZABEWEJMU-GDBMZVCRSA-N 1 3 285.391 1.921 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195942 343727741 /nfs/dbraw/zinc/72/77/41/343727741.db2.gz XGROAZABEWEJMU-GDBMZVCRSA-N 1 3 285.391 1.921 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000068102895 349050159 /nfs/dbraw/zinc/05/01/59/349050159.db2.gz ICHPKPRLFNDHKD-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000264070942 362958443 /nfs/dbraw/zinc/95/84/43/362958443.db2.gz DCVFTPQESWQBJP-UHFFFAOYSA-N 1 3 292.427 1.830 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000580309340 365985876 /nfs/dbraw/zinc/98/58/76/365985876.db2.gz RGTKBQJGRFMNHR-NEPJUHHUSA-N 1 3 268.405 1.062 20 30 CDEDHO CCN(CC)C(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264134659 362975792 /nfs/dbraw/zinc/97/57/92/362975792.db2.gz UXLXQRHOAWPZAD-UHFFFAOYSA-N 1 3 292.427 1.784 20 30 CDEDHO C=CCOc1cccc(CN(C)CCOCC[NH3+])c1 ZINC000629663269 363318987 /nfs/dbraw/zinc/31/89/87/363318987.db2.gz LNGDMJHQUYZWGK-UHFFFAOYSA-N 1 3 264.369 1.659 20 30 CDEDHO CC(C#N)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000530809697 356766968 /nfs/dbraw/zinc/76/69/68/356766968.db2.gz UAKRWUBDMASAIM-RBSFLKMASA-N 1 3 292.427 1.163 20 30 CDEDHO C=CCOCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000348029566 359778776 /nfs/dbraw/zinc/77/87/76/359778776.db2.gz FWCVWWVHWTWKPR-BZUAXINKSA-N 1 3 282.428 1.763 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000248831079 377331090 /nfs/dbraw/zinc/33/10/90/377331090.db2.gz MMEFEGZBEXABCN-HOTGVXAUSA-N 1 3 278.444 1.686 20 30 CDEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977627 391374780 /nfs/dbraw/zinc/37/47/80/391374780.db2.gz FITPHFJOZJNAMJ-PMPSAXMXSA-N 1 3 291.439 1.485 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@H](N)C3CC3)CC2)cc1 ZINC000423328917 392962504 /nfs/dbraw/zinc/96/25/04/392962504.db2.gz SRVJKCZSZSVAPH-SFHVURJKSA-N 1 3 298.434 1.850 20 30 CDEDHO N#Cc1ccc(CN2CCC(NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000423328917 392962513 /nfs/dbraw/zinc/96/25/13/392962513.db2.gz SRVJKCZSZSVAPH-SFHVURJKSA-N 1 3 298.434 1.850 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000925892972 782030491 /nfs/dbraw/zinc/03/04/91/782030491.db2.gz ITXQETHWJZNDOF-ZIAGYGMSSA-N 1 3 273.384 1.472 20 30 CDEDHO N#Cc1ccc(NCC[NH2+][C@@H]2CCCC[C@@H]2CN)nc1 ZINC000925892972 782030497 /nfs/dbraw/zinc/03/04/97/782030497.db2.gz ITXQETHWJZNDOF-ZIAGYGMSSA-N 1 3 273.384 1.472 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2CC)CC1 ZINC000353441870 263056249 /nfs/dbraw/zinc/05/62/49/263056249.db2.gz FNJAXZIOOAHPFC-KBPBESRZSA-N 1 3 265.401 1.141 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033661059 782065467 /nfs/dbraw/zinc/06/54/67/782065467.db2.gz KLQBCGZRKQCMBH-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033661059 782065491 /nfs/dbraw/zinc/06/54/91/782065491.db2.gz KLQBCGZRKQCMBH-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377728207 329027257 /nfs/dbraw/zinc/02/72/57/329027257.db2.gz WRWIMLIZTQGOKA-OAHLLOKOSA-N 1 3 251.418 1.664 20 30 CDEDHO C=CCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377728207 329027258 /nfs/dbraw/zinc/02/72/58/329027258.db2.gz WRWIMLIZTQGOKA-OAHLLOKOSA-N 1 3 251.418 1.664 20 30 CDEDHO C=CCN1CC[C@@H](N2CCC(C[NH2+]CC)CC2)C1=O ZINC000420293724 329760252 /nfs/dbraw/zinc/76/02/52/329760252.db2.gz RROJQARYEAYLIG-CQSZACIVSA-N 1 3 265.401 1.095 20 30 CDEDHO C[C@H]1CCC[C@@](C[NH+]=C(N(C)C)N(C)C)(N(C)C)C1 ZINC000261998734 329996172 /nfs/dbraw/zinc/99/61/72/329996172.db2.gz OPKGKHZTEDNXGS-DZGCQCFKSA-N 1 3 268.449 1.976 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCC1(N2CCCC2)CCOCC1 ZINC000262503181 330018197 /nfs/dbraw/zinc/01/81/97/330018197.db2.gz AMXBWMLQHWCOPL-UHFFFAOYSA-N 1 3 280.416 1.112 20 30 CDEDHO C=C(C)[C@H]1OCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098864 330170152 /nfs/dbraw/zinc/17/01/52/330170152.db2.gz SSNMSCQECJIJTO-MQAAVTGUSA-N 1 3 250.386 1.840 20 30 CDEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424137729 330274854 /nfs/dbraw/zinc/27/48/54/330274854.db2.gz SLFAGGZTKKLQCU-QLFBSQMISA-N 1 3 294.443 1.492 20 30 CDEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424137729 330274856 /nfs/dbraw/zinc/27/48/56/330274856.db2.gz SLFAGGZTKKLQCU-QLFBSQMISA-N 1 3 294.443 1.492 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000328127064 330322667 /nfs/dbraw/zinc/32/26/67/330322667.db2.gz UROSGSGKOUYDKR-QLFBSQMISA-N 1 3 251.418 1.260 20 30 CDEDHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424191263 330323548 /nfs/dbraw/zinc/32/35/48/330323548.db2.gz HCEDZXGDKHBGCJ-KBPBESRZSA-N 1 3 292.427 1.244 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000424196627 330325459 /nfs/dbraw/zinc/32/54/59/330325459.db2.gz NLBRTHRHZKKCQF-CABCVRRESA-N 1 3 288.395 1.604 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000491795746 332354942 /nfs/dbraw/zinc/35/49/42/332354942.db2.gz WVKHCFMIDPKDDT-HUUCEWRRSA-N 1 3 294.443 1.114 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001752787069 1160260863 /nfs/dbraw/zinc/26/08/63/1160260863.db2.gz FWDIEBPRBNGCQY-CVEARBPZSA-N 1 3 291.439 1.180 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001752787069 1160260867 /nfs/dbraw/zinc/26/08/67/1160260867.db2.gz FWDIEBPRBNGCQY-CVEARBPZSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417519786 482593453 /nfs/dbraw/zinc/59/34/53/482593453.db2.gz AXZKPLYFSSBZIO-TZMCWYRMSA-N 1 3 280.416 1.206 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000735923734 575535600 /nfs/dbraw/zinc/53/56/00/575535600.db2.gz JBWLGHDSENCCSH-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000970795884 612966372 /nfs/dbraw/zinc/96/63/72/612966372.db2.gz IBXHZPKUJOLPQB-OAHLLOKOSA-N 1 3 285.391 1.186 20 30 CDEDHO C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149200 613325513 /nfs/dbraw/zinc/32/55/13/613325513.db2.gz CQISJQQWZZRVDI-GDBMZVCRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148499 613679508 /nfs/dbraw/zinc/67/95/08/613679508.db2.gz LBWVEXPTQTWHMH-CQSZACIVSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148499 613679509 /nfs/dbraw/zinc/67/95/09/613679509.db2.gz LBWVEXPTQTWHMH-CQSZACIVSA-N 1 3 277.412 1.049 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969145109 613683909 /nfs/dbraw/zinc/68/39/09/613683909.db2.gz YEWYKSXMXOQJDY-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969145109 613683910 /nfs/dbraw/zinc/68/39/10/613683910.db2.gz YEWYKSXMXOQJDY-LSDHHAIUSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866381 613686091 /nfs/dbraw/zinc/68/60/91/613686091.db2.gz GZOUXGSVVAXZTF-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866381 613686093 /nfs/dbraw/zinc/68/60/93/613686093.db2.gz GZOUXGSVVAXZTF-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911629007 629374666 /nfs/dbraw/zinc/37/46/66/629374666.db2.gz RXAYRGIXCNYULU-CQSZACIVSA-N 1 3 269.433 1.933 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273627 1163224672 /nfs/dbraw/zinc/22/46/72/1163224672.db2.gz HZGXDHNOXYMZKP-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819529 1163907706 /nfs/dbraw/zinc/90/77/06/1163907706.db2.gz FRXAHAYTMYVPCT-OAHLLOKOSA-N 1 3 281.444 1.923 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000876723313 1165901395 /nfs/dbraw/zinc/90/13/95/1165901395.db2.gz SQXYWKIEUCTWSD-GFCCVEGCSA-N 1 3 273.808 1.304 20 30 CDEDHO C=C(C)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001698634891 1175880830 /nfs/dbraw/zinc/88/08/30/1175880830.db2.gz ZDHNOQVCGPHLIZ-AWEZNQCLSA-N 1 3 281.444 1.921 20 30 CDEDHO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001698858962 1175965919 /nfs/dbraw/zinc/96/59/19/1175965919.db2.gz XGKSXXGLVJZSTP-UONOGXRCSA-N 1 3 267.417 1.032 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001725171916 1181904205 /nfs/dbraw/zinc/90/42/05/1181904205.db2.gz ONRTUWNTWWEPFQ-GJZGRUSLSA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001725171916 1181904211 /nfs/dbraw/zinc/90/42/11/1181904211.db2.gz ONRTUWNTWWEPFQ-GJZGRUSLSA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753053788 1185024100 /nfs/dbraw/zinc/02/41/00/1185024100.db2.gz UKAVABYTHGUTPZ-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)CN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753053788 1185024106 /nfs/dbraw/zinc/02/41/06/1185024106.db2.gz UKAVABYTHGUTPZ-CABCVRRESA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001753232015 1185125676 /nfs/dbraw/zinc/12/56/76/1185125676.db2.gz HIXCDCKUKUEBQC-GJZGRUSLSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001754806954 1185736073 /nfs/dbraw/zinc/73/60/73/1185736073.db2.gz JTFQHKXFNIJPBS-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[NH2+][C@H](CCNC(=O)CN(C)C1CCC1)C(C)C ZINC001755551124 1185987868 /nfs/dbraw/zinc/98/78/68/1185987868.db2.gz SMNGIKYFDXQHLQ-OAHLLOKOSA-N 1 3 279.428 1.224 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001755686724 1186037809 /nfs/dbraw/zinc/03/78/09/1186037809.db2.gz OZORCZPYLXKRAT-JSGCOSHPSA-N 1 3 276.384 1.497 20 30 CDEDHO C=CCN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001755724780 1186047773 /nfs/dbraw/zinc/04/77/73/1186047773.db2.gz XZJJQAAOCSIVBS-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209634092 894797355 /nfs/dbraw/zinc/79/73/55/894797355.db2.gz ZZNZVARGXGPJDA-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001023761569 897809430 /nfs/dbraw/zinc/80/94/30/897809430.db2.gz CRUOQPYVYPPGRJ-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001023761569 897809440 /nfs/dbraw/zinc/80/94/40/897809440.db2.gz CRUOQPYVYPPGRJ-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024800963 898256659 /nfs/dbraw/zinc/25/66/59/898256659.db2.gz KCUWHJKLYLJXLV-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024800963 898256676 /nfs/dbraw/zinc/25/66/76/898256676.db2.gz KCUWHJKLYLJXLV-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106785047 914300569 /nfs/dbraw/zinc/30/05/69/914300569.db2.gz UYBVFIMZCJBGCK-HUUCEWRRSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148635 899431785 /nfs/dbraw/zinc/43/17/85/899431785.db2.gz VSCVEDIKTWQANJ-GRYWWWGRSA-N 1 3 277.412 1.092 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986512 914415462 /nfs/dbraw/zinc/41/54/62/914415462.db2.gz QCOUXJHTJFSLBE-CYBMUJFWSA-N 1 3 253.390 1.143 20 30 CDEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576845 900612496 /nfs/dbraw/zinc/61/24/96/900612496.db2.gz YAUFPCGXJRDITN-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576845 900612500 /nfs/dbraw/zinc/61/25/00/900612500.db2.gz YAUFPCGXJRDITN-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028647900 903190964 /nfs/dbraw/zinc/19/09/64/903190964.db2.gz PKVLXDGBURFCJX-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647900 903190970 /nfs/dbraw/zinc/19/09/70/903190970.db2.gz PKVLXDGBURFCJX-HZPDHXFCSA-N 1 3 291.439 1.178 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000303867667 906679077 /nfs/dbraw/zinc/67/90/77/906679077.db2.gz ADMXYBRBJQJNIP-CHWSQXEVSA-N 1 3 254.422 1.763 20 30 CDEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCOCC2)(N(C)C)C1 ZINC000303893095 906679155 /nfs/dbraw/zinc/67/91/55/906679155.db2.gz RQPJTLQBEPGFJF-HIFRSBDPSA-N 1 3 282.432 1.144 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003625168 921366894 /nfs/dbraw/zinc/36/68/94/921366894.db2.gz BXROAKBTHNGYPP-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345320 909135163 /nfs/dbraw/zinc/13/51/63/909135163.db2.gz PIGSCCYBQURLRR-UHFFFAOYSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554136 915884155 /nfs/dbraw/zinc/88/41/55/915884155.db2.gz QUOWPXQHDAAYGC-KKUMJFAQSA-N 1 3 281.444 1.872 20 30 CDEDHO C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCC(C)CC1 ZINC000303898222 935046513 /nfs/dbraw/zinc/04/65/13/935046513.db2.gz VKLSJYIFGYKJNV-LBPRGKRZSA-N 1 3 254.422 1.810 20 30 CDEDHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000303897553 935047190 /nfs/dbraw/zinc/04/71/90/935047190.db2.gz QPJOJNDDZWTLFO-RWMBFGLXSA-N 1 3 270.421 1.046 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001054734809 936469759 /nfs/dbraw/zinc/46/97/59/936469759.db2.gz DDBYBPGGMNLZSE-UKRRQHHQSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001000190761 936526814 /nfs/dbraw/zinc/52/68/14/936526814.db2.gz HOGNPBDXXOQQTN-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950102 919439672 /nfs/dbraw/zinc/43/96/72/919439672.db2.gz QBNWALMVJODIRQ-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCN2C)CC1 ZINC000997950102 919439681 /nfs/dbraw/zinc/43/96/81/919439681.db2.gz QBNWALMVJODIRQ-JKSUJKDBSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185206750 919476525 /nfs/dbraw/zinc/47/65/25/919476525.db2.gz VYMOWCSBNOWCCA-CHWSQXEVSA-N 1 3 276.384 1.212 20 30 CDEDHO C#CC[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140303899 936699547 /nfs/dbraw/zinc/69/95/47/936699547.db2.gz CYURLYPNFKJTDR-UHFFFAOYSA-N 1 3 271.408 1.894 20 30 CDEDHO C#CC[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140303899 936699549 /nfs/dbraw/zinc/69/95/49/936699549.db2.gz CYURLYPNFKJTDR-UHFFFAOYSA-N 1 3 271.408 1.894 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033357881 922183212 /nfs/dbraw/zinc/18/32/12/922183212.db2.gz CSALDVLNBUDVAX-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033357881 922183216 /nfs/dbraw/zinc/18/32/16/922183216.db2.gz CSALDVLNBUDVAX-HRCADAONSA-N 1 3 291.439 1.273 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100905017 936944323 /nfs/dbraw/zinc/94/43/23/936944323.db2.gz RRVUUEFRUPYBRK-UHFFFAOYSA-N 1 3 267.417 1.389 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196009883 924783651 /nfs/dbraw/zinc/78/36/51/924783651.db2.gz FZGMYZZWQVHSCI-OAHLLOKOSA-N 1 3 299.434 1.777 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196009883 924783658 /nfs/dbraw/zinc/78/36/58/924783658.db2.gz FZGMYZZWQVHSCI-OAHLLOKOSA-N 1 3 299.434 1.777 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152452203 925430536 /nfs/dbraw/zinc/43/05/36/925430536.db2.gz WPYYTPREBWLYSX-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102049745 937039668 /nfs/dbraw/zinc/03/96/68/937039668.db2.gz AGAOIKDEVJGYKF-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102049745 937039670 /nfs/dbraw/zinc/03/96/70/937039670.db2.gz AGAOIKDEVJGYKF-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001086102394 926706570 /nfs/dbraw/zinc/70/65/70/926706570.db2.gz UYDHMPRWZMIXPY-QLFBSQMISA-N 1 3 279.428 1.531 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197740 926812962 /nfs/dbraw/zinc/81/29/62/926812962.db2.gz YPWWUTNRFFEKMT-RUZUBIRVSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086197740 926812970 /nfs/dbraw/zinc/81/29/70/926812970.db2.gz YPWWUTNRFFEKMT-RUZUBIRVSA-N 1 3 299.846 1.421 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717855 928614862 /nfs/dbraw/zinc/61/48/62/928614862.db2.gz WYTZJMUPAPYECB-ZNMIVQPWSA-N 1 3 291.439 1.319 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001152148852 937339846 /nfs/dbraw/zinc/33/98/46/937339846.db2.gz SEBIHWHYEAGEJL-ZIAGYGMSSA-N 1 3 267.417 1.531 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115591884 937398117 /nfs/dbraw/zinc/39/81/17/937398117.db2.gz JQBWTMBNVVNRJE-OAHLLOKOSA-N 1 3 293.455 1.759 20 30 CDEDHO N#CCOc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817917451 930631390 /nfs/dbraw/zinc/63/13/90/930631390.db2.gz GVXYZXRMXUFKBZ-HIFRSBDPSA-N 1 3 259.353 1.806 20 30 CDEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824123 937474134 /nfs/dbraw/zinc/47/41/34/937474134.db2.gz LVPZCTKGAIKAEF-HIFRSBDPSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C ZINC001153824123 937474135 /nfs/dbraw/zinc/47/41/35/937474135.db2.gz LVPZCTKGAIKAEF-HIFRSBDPSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001091026186 931732630 /nfs/dbraw/zinc/73/26/30/931732630.db2.gz JOCWCDVNVXEKQP-UYSNPLJNSA-N 1 3 293.455 1.920 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238687 932091951 /nfs/dbraw/zinc/09/19/51/932091951.db2.gz YGWSAPLJLUWDEM-CQSZACIVSA-N 1 3 279.428 1.369 20 30 CDEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995531 933424867 /nfs/dbraw/zinc/42/48/67/933424867.db2.gz ZXODKXNIHNEBOQ-LVQVYYBASA-N 1 3 293.455 1.870 20 30 CDEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110995531 933424876 /nfs/dbraw/zinc/42/48/76/933424876.db2.gz ZXODKXNIHNEBOQ-LVQVYYBASA-N 1 3 293.455 1.870 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303872548 935046174 /nfs/dbraw/zinc/04/61/74/935046174.db2.gz CBIACMNXPXHRPZ-ZDUSSCGKSA-N 1 3 270.421 1.001 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014404463 935536410 /nfs/dbraw/zinc/53/64/10/935536410.db2.gz CVAXDWHSGQZVHX-HUUCEWRRSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014404463 935536413 /nfs/dbraw/zinc/53/64/13/935536413.db2.gz CVAXDWHSGQZVHX-HUUCEWRRSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCN1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739228 935971879 /nfs/dbraw/zinc/97/18/79/935971879.db2.gz KUECBZDHLUWXQW-KRWDZBQOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158426006 938623372 /nfs/dbraw/zinc/62/33/72/938623372.db2.gz YOHSTZPGFJNYLB-IHRRRGAJSA-N 1 3 265.401 1.413 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915218 938760272 /nfs/dbraw/zinc/76/02/72/938760272.db2.gz HQVNIDJMPNBNKT-GFCCVEGCSA-N 1 3 273.808 1.175 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC[C@H]1C#N ZINC001160635582 938805415 /nfs/dbraw/zinc/80/54/15/938805415.db2.gz AZSJUBRYYYIMFP-KBPBESRZSA-N 1 3 280.416 1.387 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166866887 939645945 /nfs/dbraw/zinc/64/59/45/939645945.db2.gz YFEWDEQZORLGQE-NSHDSACASA-N 1 3 261.797 1.175 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651682 939699824 /nfs/dbraw/zinc/69/98/24/939699824.db2.gz PBAOHPRQFAITGV-CABCVRRESA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793332 939704499 /nfs/dbraw/zinc/70/44/99/939704499.db2.gz SBBJWYKXICIOQQ-CABCVRRESA-N 1 3 293.455 1.920 20 30 CDEDHO C=CCn1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205558669 939903099 /nfs/dbraw/zinc/90/30/99/939903099.db2.gz HZQPQRGMAPETME-AWEZNQCLSA-N 1 3 266.364 1.722 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209661181 940624379 /nfs/dbraw/zinc/62/43/79/940624379.db2.gz UIVJUHZGVHWFDG-AWEZNQCLSA-N 1 3 281.444 1.731 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001214999973 940851240 /nfs/dbraw/zinc/85/12/40/940851240.db2.gz SYOFOSFCDHSWHQ-ZIAGYGMSSA-N 1 3 279.428 1.177 20 30 CDEDHO N#Cc1cc(F)c(NC(=O)[C@@H](N)CCC[NH3+])c(Cl)c1 ZINC001218995100 941299900 /nfs/dbraw/zinc/29/99/00/941299900.db2.gz OWAGUSHHOMEPFE-JTQLQIEISA-N 1 3 284.722 1.355 20 30 CDEDHO C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001221398679 941530135 /nfs/dbraw/zinc/53/01/35/941530135.db2.gz FRFCRRBESZINOD-RDJZCZTQSA-N 1 3 285.391 1.125 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001229254893 942440483 /nfs/dbraw/zinc/44/04/83/942440483.db2.gz ZQOKGIJKHOFOIG-AWEZNQCLSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1CCC[C@H]([NH2+][C@H]2CCCN(C)CC2)C1=O ZINC001254510394 947475080 /nfs/dbraw/zinc/47/50/80/947475080.db2.gz VLFSIXPTUQYTFH-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO N#Cc1ccccc1OCCC[NH2+]C1CCNCC1 ZINC001246326610 948107368 /nfs/dbraw/zinc/10/73/68/948107368.db2.gz FSPLDAZQFYHIQH-UHFFFAOYSA-N 1 3 259.353 1.669 20 30 CDEDHO C#CCOCCOCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256564085 948345576 /nfs/dbraw/zinc/34/55/76/948345576.db2.gz QSUARLYQQXIVAX-UHFFFAOYSA-N 1 3 282.428 1.505 20 30 CDEDHO N#CCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001327197071 954765483 /nfs/dbraw/zinc/76/54/83/954765483.db2.gz LVVAITDUBYGJJE-UONOGXRCSA-N 1 3 259.353 1.948 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001342174266 963662281 /nfs/dbraw/zinc/66/22/81/963662281.db2.gz OUBDYIDVSAVUFE-QWHCGFSZSA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647108 968862592 /nfs/dbraw/zinc/86/25/92/968862592.db2.gz CWLQOARNPVOPLT-YMAMQOFZSA-N 1 3 281.444 1.633 20 30 CDEDHO CC1(C)CC[N@H+](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC001355475782 969172662 /nfs/dbraw/zinc/17/26/62/969172662.db2.gz MQFPAABZBVVGMP-CYBMUJFWSA-N 1 3 280.416 1.246 20 30 CDEDHO CC1(C)CC[N@@H+](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC001355475782 969172669 /nfs/dbraw/zinc/17/26/69/969172669.db2.gz MQFPAABZBVVGMP-CYBMUJFWSA-N 1 3 280.416 1.246 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC001521465152 970300629 /nfs/dbraw/zinc/30/06/29/970300629.db2.gz YFHGGHBPABYMEH-CQSZACIVSA-N 1 3 267.417 1.518 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273628 1163225357 /nfs/dbraw/zinc/22/53/57/1163225357.db2.gz HZGXDHNOXYMZKP-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000596651448 343371468 /nfs/dbraw/zinc/37/14/68/343371468.db2.gz QFACYPZKYDDUQH-RCBQFDQVSA-N 1 3 273.380 1.443 20 30 CDEDHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651448 343371470 /nfs/dbraw/zinc/37/14/70/343371470.db2.gz QFACYPZKYDDUQH-RCBQFDQVSA-N 1 3 273.380 1.443 20 30 CDEDHO C=CCNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264068697 362957164 /nfs/dbraw/zinc/95/71/64/362957164.db2.gz CIFNYXMIWQOISZ-UHFFFAOYSA-N 1 3 272.396 1.525 20 30 CDEDHO C[NH+](C)C[C@@H]1CCN(CCCC2(C#N)CCOCC2)C1 ZINC000337191336 360017036 /nfs/dbraw/zinc/01/70/36/360017036.db2.gz SKAUHRGYFQTBEM-HNNXBMFYSA-N 1 3 279.428 1.970 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200002 360085316 /nfs/dbraw/zinc/08/53/16/360085316.db2.gz VHXRVILWRMUOPP-MRXNPFEDSA-N 1 3 291.439 1.651 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000165199164 375926846 /nfs/dbraw/zinc/92/68/46/375926846.db2.gz ASCRGVOYTYBLJE-HOTGVXAUSA-N 1 3 293.455 1.943 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC2CCN(Cc3cccs3)CC2)N1 ZINC000262660264 391808161 /nfs/dbraw/zinc/80/81/61/391808161.db2.gz MTDNZIQQJUDDFL-GFCCVEGCSA-N 1 3 292.452 1.897 20 30 CDEDHO CCN(CC)Cc1ccccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262677889 391811254 /nfs/dbraw/zinc/81/12/54/391811254.db2.gz URXTXNDXTDZLBC-CYBMUJFWSA-N 1 3 274.412 1.966 20 30 CDEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)CN(C)C)cc1OC ZINC000291910312 263126413 /nfs/dbraw/zinc/12/64/13/263126413.db2.gz LZZOYCWETBDRPB-NSHDSACASA-N 1 3 294.399 1.628 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C)c1 ZINC000264146049 328157517 /nfs/dbraw/zinc/15/75/17/328157517.db2.gz XWPKJQRPASCUOX-HNNXBMFYSA-N 1 3 274.412 1.884 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCC[C@@H]1O ZINC000262430833 330010185 /nfs/dbraw/zinc/01/01/85/330010185.db2.gz OIIDFVLGJFDGNM-YCPHGPKFSA-N 1 3 296.459 1.316 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262532820 330019919 /nfs/dbraw/zinc/01/99/19/330019919.db2.gz OMZMNLHBHUSVHM-SYQHCUMBSA-N 1 3 294.443 1.189 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC)C1(C)C ZINC000262774330 330030617 /nfs/dbraw/zinc/03/06/17/330030617.db2.gz HYJYHEUCFZFQAQ-FRRDWIJNSA-N 1 3 282.432 1.189 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000424078849 330221371 /nfs/dbraw/zinc/22/13/71/330221371.db2.gz QKQPQSKBSRMELT-QWHCGFSZSA-N 1 3 266.389 1.031 20 30 CDEDHO CC1CC[NH+](CCCCNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424125966 330259072 /nfs/dbraw/zinc/25/90/72/330259072.db2.gz AYMZBFGBZKJUQI-OAHLLOKOSA-N 1 3 294.443 1.636 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000424127532 330259277 /nfs/dbraw/zinc/25/92/77/330259277.db2.gz AYESMHIMGIVFSY-CQSZACIVSA-N 1 3 280.416 1.390 20 30 CDEDHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424131746 330264018 /nfs/dbraw/zinc/26/40/18/330264018.db2.gz JQZRQDWXPGWEEC-LSDHHAIUSA-N 1 3 294.443 1.634 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000334904873 526587467 /nfs/dbraw/zinc/58/74/67/526587467.db2.gz AKJSNGKMQAVZTN-KBPBESRZSA-N 1 3 294.443 1.419 20 30 CDEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000764429283 575906676 /nfs/dbraw/zinc/90/66/76/575906676.db2.gz YKYCNVUSBQLRIS-ZIAGYGMSSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734365 613613083 /nfs/dbraw/zinc/61/30/83/613613083.db2.gz XPYYUTBFUYWQGU-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734365 613613085 /nfs/dbraw/zinc/61/30/85/613613085.db2.gz XPYYUTBFUYWQGU-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674519 613626311 /nfs/dbraw/zinc/62/63/11/613626311.db2.gz UPVOAVGXYQVRLZ-ZDUSSCGKSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674519 613626313 /nfs/dbraw/zinc/62/63/13/613626313.db2.gz UPVOAVGXYQVRLZ-ZDUSSCGKSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775333 613704024 /nfs/dbraw/zinc/70/40/24/613704024.db2.gz GEKTYDANRIHGPT-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000948775333 613704026 /nfs/dbraw/zinc/70/40/26/613704026.db2.gz GEKTYDANRIHGPT-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CCOCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925745 617732733 /nfs/dbraw/zinc/73/27/33/617732733.db2.gz AAFHMMSLGVFHFB-HUUCEWRRSA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925745 617732736 /nfs/dbraw/zinc/73/27/36/617732736.db2.gz AAFHMMSLGVFHFB-HUUCEWRRSA-N 1 3 264.413 1.879 20 30 CDEDHO C#CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000851925745 617732740 /nfs/dbraw/zinc/73/27/40/617732740.db2.gz AAFHMMSLGVFHFB-HUUCEWRRSA-N 1 3 264.413 1.879 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911880104 629606834 /nfs/dbraw/zinc/60/68/34/629606834.db2.gz RDIKGXJINNUIEL-GJZGRUSLSA-N 1 3 298.475 1.166 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157702218 1162307554 /nfs/dbraw/zinc/30/75/54/1162307554.db2.gz OOZGLTHEVHZFJF-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157702218 1162307557 /nfs/dbraw/zinc/30/75/57/1162307557.db2.gz OOZGLTHEVHZFJF-HZPDHXFCSA-N 1 3 291.439 1.417 20 30 CDEDHO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134765998 1164100762 /nfs/dbraw/zinc/10/07/62/1164100762.db2.gz CEVGWSIVFZZDAF-HNNXBMFYSA-N 1 3 297.443 1.158 20 30 CDEDHO C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001668977997 1173487319 /nfs/dbraw/zinc/48/73/19/1173487319.db2.gz ILRKCCQDMPWOJT-ZRUQZJFASA-N 1 3 265.401 1.309 20 30 CDEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001673180049 1173833453 /nfs/dbraw/zinc/83/34/53/1173833453.db2.gz IWXDTKLGVHRZRO-CYBMUJFWSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753815374 1185343345 /nfs/dbraw/zinc/34/33/45/1185343345.db2.gz MCOAXMLSEQLMAT-CHWSQXEVSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CCC[NH2+]CCN(CC)C(=O)CN1CCCC1 ZINC001754081698 1185452079 /nfs/dbraw/zinc/45/20/79/1185452079.db2.gz IHPNHCVYTNPWQZ-UHFFFAOYSA-N 1 3 253.390 1.096 20 30 CDEDHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754179627 1185495519 /nfs/dbraw/zinc/49/55/19/1185495519.db2.gz LUWOOUKXQPMNGS-PTZVLDCSSA-N 1 3 291.439 1.535 20 30 CDEDHO CC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754179627 1185495521 /nfs/dbraw/zinc/49/55/21/1185495521.db2.gz LUWOOUKXQPMNGS-PTZVLDCSSA-N 1 3 291.439 1.535 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001754617858 1185686364 /nfs/dbraw/zinc/68/63/64/1185686364.db2.gz LFMFASLCPXYAJR-STQMWFEESA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001755724779 1186048422 /nfs/dbraw/zinc/04/84/22/1186048422.db2.gz XZJJQAAOCSIVBS-QWHCGFSZSA-N 1 3 253.390 1.093 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856579 1163933485 /nfs/dbraw/zinc/93/34/85/1163933485.db2.gz JXDXTLLJSYWPFK-HNNXBMFYSA-N 1 3 285.407 1.481 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134766051 1164101448 /nfs/dbraw/zinc/10/14/48/1164101448.db2.gz CRZQOOCCJWJGJG-AWEZNQCLSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001340296944 962865702 /nfs/dbraw/zinc/86/57/02/962865702.db2.gz LHFSWCAENJPISG-OLZOCXBDSA-N 1 3 253.390 1.400 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000876723827 783656022 /nfs/dbraw/zinc/65/60/22/783656022.db2.gz XYTNQGXXNSRYML-UPJWGTAASA-N 1 3 287.835 1.835 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000876723827 783656040 /nfs/dbraw/zinc/65/60/40/783656040.db2.gz XYTNQGXXNSRYML-UPJWGTAASA-N 1 3 287.835 1.835 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034492354 783893229 /nfs/dbraw/zinc/89/32/29/783893229.db2.gz NETYMHJXEXMTJC-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034492354 783893234 /nfs/dbraw/zinc/89/32/34/783893234.db2.gz NETYMHJXEXMTJC-HUUCEWRRSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001023761570 784651821 /nfs/dbraw/zinc/65/18/21/784651821.db2.gz CRUOQPYVYPPGRJ-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001023761570 784651826 /nfs/dbraw/zinc/65/18/26/784651826.db2.gz CRUOQPYVYPPGRJ-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033834350 784784595 /nfs/dbraw/zinc/78/45/95/784784595.db2.gz OZXYIAYERQSCOO-BZUAXINKSA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033834350 784784602 /nfs/dbraw/zinc/78/46/02/784784602.db2.gz OZXYIAYERQSCOO-BZUAXINKSA-N 1 3 291.439 1.273 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041141707 785244520 /nfs/dbraw/zinc/24/45/20/785244520.db2.gz PSEZPTSGDWWAKZ-GDBMZVCRSA-N 1 3 277.412 1.191 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001041141707 785244586 /nfs/dbraw/zinc/24/45/86/785244586.db2.gz PSEZPTSGDWWAKZ-GDBMZVCRSA-N 1 3 277.412 1.191 20 30 CDEDHO C#CCC1([NH2+]CCCN(CC)CC)CCOCC1 ZINC000887122105 785829840 /nfs/dbraw/zinc/82/98/40/785829840.db2.gz LBKVNWVRFPENNO-UHFFFAOYSA-N 1 3 252.402 1.880 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036054550 786330405 /nfs/dbraw/zinc/33/04/05/786330405.db2.gz LRXJKWAUQGHEEW-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001072752232 786438058 /nfs/dbraw/zinc/43/80/58/786438058.db2.gz AJQQBMPFEMYPDI-LSDHHAIUSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072752232 786438067 /nfs/dbraw/zinc/43/80/67/786438067.db2.gz AJQQBMPFEMYPDI-LSDHHAIUSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801133 786778504 /nfs/dbraw/zinc/77/85/04/786778504.db2.gz LWAQRGHSXAGNIO-HOTGVXAUSA-N 1 3 291.439 1.724 20 30 CDEDHO C#CCOCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000851880741 786835853 /nfs/dbraw/zinc/83/58/53/786835853.db2.gz ULUPHUQUPLAYRK-UHFFFAOYSA-N 1 3 293.455 1.127 20 30 CDEDHO CC1(N2CCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886317904 787086091 /nfs/dbraw/zinc/08/60/91/787086091.db2.gz DMRKLFJIFUOOLL-HNNXBMFYSA-N 1 3 291.439 1.991 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCSCC1)N1CCC[C@H](C)C1 ZINC000104168023 787786287 /nfs/dbraw/zinc/78/62/87/787786287.db2.gz LQIWCIHUWSAHRW-STQMWFEESA-N 1 3 284.473 1.470 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468609 787805371 /nfs/dbraw/zinc/80/53/71/787805371.db2.gz YDKNPJUJNQANLE-UHFFFAOYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468609 787805373 /nfs/dbraw/zinc/80/53/73/787805373.db2.gz YDKNPJUJNQANLE-UHFFFAOYSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357960 787997517 /nfs/dbraw/zinc/99/75/17/787997517.db2.gz JPFKIAKCBONBME-RDJZCZTQSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357960 787997550 /nfs/dbraw/zinc/99/75/50/787997550.db2.gz JPFKIAKCBONBME-RDJZCZTQSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000986956097 788072279 /nfs/dbraw/zinc/07/22/79/788072279.db2.gz JOXJYCBMPHDBTK-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])NCCC(C)C)CC1 ZINC000303897325 788274700 /nfs/dbraw/zinc/27/47/00/788274700.db2.gz UXNAWVOWXYEYPD-HNNXBMFYSA-N 1 3 297.491 1.210 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996663650 788339746 /nfs/dbraw/zinc/33/97/46/788339746.db2.gz IGFWIMUTIKSWRF-UHFFFAOYSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036055970 788820984 /nfs/dbraw/zinc/82/09/84/788820984.db2.gz SECJLUQZIFSPMW-KGLIPLIRSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000996993897 788871420 /nfs/dbraw/zinc/87/14/20/788871420.db2.gz GWBPRZQOFNBGMW-LBPRGKRZSA-N 1 3 299.846 1.661 20 30 CDEDHO CN(C)CC[NH+](CCN(C)C)C1CCC(C)(C#N)CC1 ZINC001173596481 912642412 /nfs/dbraw/zinc/64/24/12/912642412.db2.gz YCOORWXNSCPZJH-UHFFFAOYSA-N 1 3 280.460 1.884 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362809 896038897 /nfs/dbraw/zinc/03/88/97/896038897.db2.gz KZRQMDGCDUPRGD-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022720810 896816606 /nfs/dbraw/zinc/81/66/06/896816606.db2.gz STNRVBHVSWWEOH-FTYKPCCVSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022720810 896816616 /nfs/dbraw/zinc/81/66/16/896816616.db2.gz STNRVBHVSWWEOH-FTYKPCCVSA-N 1 3 285.819 1.173 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779608 914291720 /nfs/dbraw/zinc/29/17/20/914291720.db2.gz SMRQIQSRESACCO-ZIAGYGMSSA-N 1 3 267.417 1.198 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206287802 914375059 /nfs/dbraw/zinc/37/50/59/914375059.db2.gz JKJLMNGULHVGCE-UHFFFAOYSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028093929 901319656 /nfs/dbraw/zinc/31/96/56/901319656.db2.gz RSEIPUYUFGKWLG-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028093929 901319666 /nfs/dbraw/zinc/31/96/66/901319666.db2.gz RSEIPUYUFGKWLG-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001088383765 907081869 /nfs/dbraw/zinc/08/18/69/907081869.db2.gz MHMUBMYOWZKIEZ-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617709 915907063 /nfs/dbraw/zinc/90/70/63/915907063.db2.gz MKKZHUDODMZNLA-AAEUAGOBSA-N 1 3 262.357 1.107 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183510348 918513099 /nfs/dbraw/zinc/51/30/99/918513099.db2.gz WYCRSKBDFMWJFX-GDBMZVCRSA-N 1 3 279.428 1.034 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184555898 919192937 /nfs/dbraw/zinc/19/29/37/919192937.db2.gz NEGIDNUKCRAOCJ-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190444622 921997031 /nfs/dbraw/zinc/99/70/31/921997031.db2.gz RPXCPLVLMNMVIR-UONOGXRCSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001190444622 921997048 /nfs/dbraw/zinc/99/70/48/921997048.db2.gz RPXCPLVLMNMVIR-UONOGXRCSA-N 1 3 285.407 1.385 20 30 CDEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203098 936782738 /nfs/dbraw/zinc/78/27/38/936782738.db2.gz JGOIHXSQOUIEAB-CQSZACIVSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088490 937041146 /nfs/dbraw/zinc/04/11/46/937041146.db2.gz XZUMEEWNJSLCGN-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088490 937041150 /nfs/dbraw/zinc/04/11/50/937041150.db2.gz XZUMEEWNJSLCGN-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201410277 926297729 /nfs/dbraw/zinc/29/77/29/926297729.db2.gz FJNWTFXLQBZPGQ-CABCVRRESA-N 1 3 297.443 1.110 20 30 CDEDHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001275290294 931725257 /nfs/dbraw/zinc/72/52/57/931725257.db2.gz FCFYRFSKCKWVHR-ZWKOTPCHSA-N 1 3 298.434 1.626 20 30 CDEDHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001275290294 931725262 /nfs/dbraw/zinc/72/52/62/931725262.db2.gz FCFYRFSKCKWVHR-ZWKOTPCHSA-N 1 3 298.434 1.626 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155238000 937652228 /nfs/dbraw/zinc/65/22/28/937652228.db2.gz UANUMONGBRMHKR-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155238000 937652231 /nfs/dbraw/zinc/65/22/31/937652231.db2.gz UANUMONGBRMHKR-LSDHHAIUSA-N 1 3 281.444 1.731 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114826025 934996793 /nfs/dbraw/zinc/99/67/93/934996793.db2.gz BLMKQQUEHVAHMG-LJISPDSOSA-N 1 3 279.428 1.339 20 30 CDEDHO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841442 935013891 /nfs/dbraw/zinc/01/38/91/935013891.db2.gz WIPXMNGJTQCCDX-FOLVSLTJSA-N 1 3 291.439 1.034 20 30 CDEDHO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841442 935013896 /nfs/dbraw/zinc/01/38/96/935013896.db2.gz WIPXMNGJTQCCDX-FOLVSLTJSA-N 1 3 291.439 1.034 20 30 CDEDHO C=CCSCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303990378 935049113 /nfs/dbraw/zinc/04/91/13/935049113.db2.gz YLHMTNYYZMPSHB-GFCCVEGCSA-N 1 3 270.446 1.294 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N(C)C1CC1)N1CCC[C@H](C)C1 ZINC000305807911 935218174 /nfs/dbraw/zinc/21/81/74/935218174.db2.gz HJSIEGRVWZAYIO-RYUDHWBXSA-N 1 3 252.406 1.516 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC001122127252 937907242 /nfs/dbraw/zinc/90/72/42/937907242.db2.gz PSVHCAFOCVOQNP-ZDUSSCGKSA-N 1 3 253.390 1.176 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207799 938879435 /nfs/dbraw/zinc/87/94/35/938879435.db2.gz WQQLEOPYZBHYSF-GDBMZVCRSA-N 1 3 291.439 1.509 20 30 CDEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207799 938879437 /nfs/dbraw/zinc/87/94/37/938879437.db2.gz WQQLEOPYZBHYSF-GDBMZVCRSA-N 1 3 291.439 1.509 20 30 CDEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206512035 940050711 /nfs/dbraw/zinc/05/07/11/940050711.db2.gz GVIKJBRNKSBFIN-ILXRZTDVSA-N 1 3 250.386 1.540 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334372 940320267 /nfs/dbraw/zinc/32/02/67/940320267.db2.gz JAUYZZMHEUHCMG-CVEARBPZSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209161211 940441904 /nfs/dbraw/zinc/44/19/04/940441904.db2.gz JGSSAVGOMBYPOV-PMPSAXMXSA-N 1 3 289.427 1.639 20 30 CDEDHO C=CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209161211 940441907 /nfs/dbraw/zinc/44/19/07/940441907.db2.gz JGSSAVGOMBYPOV-PMPSAXMXSA-N 1 3 289.427 1.639 20 30 CDEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1[nH]ccc1C#N ZINC001218656673 941253882 /nfs/dbraw/zinc/25/38/82/941253882.db2.gz ZPVHCNIAURLQML-LBPRGKRZSA-N 1 3 277.372 1.320 20 30 CDEDHO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001316617323 942661124 /nfs/dbraw/zinc/66/11/24/942661124.db2.gz VCNBSGGYYGSLCI-GASCZTMLSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC001263092642 943741657 /nfs/dbraw/zinc/74/16/57/943741657.db2.gz ZNZJCGKEYPMQNG-LBPRGKRZSA-N 1 3 255.406 1.374 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001262570644 946721736 /nfs/dbraw/zinc/72/17/36/946721736.db2.gz AWYKFEWSTHMOQS-ZDUSSCGKSA-N 1 3 280.416 1.017 20 30 CDEDHO CC[C@H](CC#N)NCC1(N(C)C)CC[NH+](C)CC1 ZINC001255153119 947755767 /nfs/dbraw/zinc/75/57/67/947755767.db2.gz PBPAMTKHUUXETD-CYBMUJFWSA-N 1 3 252.406 1.294 20 30 CDEDHO CCCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001245980552 947878127 /nfs/dbraw/zinc/87/81/27/947878127.db2.gz BTUQLIFAZZHBTP-VVLHAWIVSA-N 1 3 298.471 1.922 20 30 CDEDHO CCCCCCCC[C@H](O)CN[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245980552 947878136 /nfs/dbraw/zinc/87/81/36/947878136.db2.gz BTUQLIFAZZHBTP-VVLHAWIVSA-N 1 3 298.471 1.922 20 30 CDEDHO CC1(C#N)CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246407741 948161480 /nfs/dbraw/zinc/16/14/80/948161480.db2.gz YZRWKKJSOQQVQP-LXVYMNJGSA-N 1 3 266.389 1.031 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556225 948265048 /nfs/dbraw/zinc/26/50/48/948265048.db2.gz DXMZSLOISMUMRC-RHSMWYFYSA-N 1 3 287.407 1.665 20 30 CDEDHO N#Cc1ccc(C2CCC([N@H+]3C[C@@H](O)[C@@H](CN)C3)CC2)cc1 ZINC001246583663 948313417 /nfs/dbraw/zinc/31/34/17/948313417.db2.gz KSYYFZNZUVUIPV-JYSRZZCRSA-N 1 3 299.418 1.836 20 30 CDEDHO N#Cc1ccc(C2CCC([N@@H+]3C[C@@H](O)[C@@H](CN)C3)CC2)cc1 ZINC001246583663 948313428 /nfs/dbraw/zinc/31/34/28/948313428.db2.gz KSYYFZNZUVUIPV-JYSRZZCRSA-N 1 3 299.418 1.836 20 30 CDEDHO N#CCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679872 948390907 /nfs/dbraw/zinc/39/09/07/948390907.db2.gz UQNNLUHCQXSZBR-UHFFFAOYSA-N 1 3 265.401 1.913 20 30 CDEDHO C=C[C@@](C)(O)CN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252549297 951437473 /nfs/dbraw/zinc/43/74/73/951437473.db2.gz HZQLANCXGLYYDC-SJORKVTESA-N 1 3 296.455 1.746 20 30 CDEDHO C=C[C@@](C)(O)CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252549297 951437487 /nfs/dbraw/zinc/43/74/87/951437487.db2.gz HZQLANCXGLYYDC-SJORKVTESA-N 1 3 296.455 1.746 20 30 CDEDHO C=C[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253585711 951977265 /nfs/dbraw/zinc/97/72/65/951977265.db2.gz ZAQFIARDAKESKK-SOUVJXGZSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253585711 951977274 /nfs/dbraw/zinc/97/72/74/951977274.db2.gz ZAQFIARDAKESKK-SOUVJXGZSA-N 1 3 252.402 1.872 20 30 CDEDHO C=C[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001253606641 951990478 /nfs/dbraw/zinc/99/04/78/951990478.db2.gz LSCDSJBHETYJQT-INIZCTEOSA-N 1 3 275.396 1.430 20 30 CDEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001366485539 956867465 /nfs/dbraw/zinc/86/74/65/956867465.db2.gz IQCVQIGNXNVZOS-LBPRGKRZSA-N 1 3 287.835 1.565 20 30 CDEDHO C#CC[C@H](CCOC)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001335330181 959720051 /nfs/dbraw/zinc/72/00/51/959720051.db2.gz RFAKCOMJMYBLSR-ILXRZTDVSA-N 1 3 250.386 1.631 20 30 CDEDHO C#CC[C@H](CCOC)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001335330181 959720066 /nfs/dbraw/zinc/72/00/66/959720066.db2.gz RFAKCOMJMYBLSR-ILXRZTDVSA-N 1 3 250.386 1.631 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001340825614 963145454 /nfs/dbraw/zinc/14/54/54/963145454.db2.gz LDYCKMHVBQGQJY-HRCADAONSA-N 1 3 287.407 1.542 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266766 1163221954 /nfs/dbraw/zinc/22/19/54/1163221954.db2.gz ZWAJZYSWAPWCAM-UONOGXRCSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574908413 1171047277 /nfs/dbraw/zinc/04/72/77/1171047277.db2.gz MXFSPYKAVMKNDT-CABCVRRESA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001574908413 1171047287 /nfs/dbraw/zinc/04/72/87/1171047287.db2.gz MXFSPYKAVMKNDT-CABCVRRESA-N 1 3 279.428 1.803 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001574908413 1171047295 /nfs/dbraw/zinc/04/72/95/1171047295.db2.gz MXFSPYKAVMKNDT-CABCVRRESA-N 1 3 279.428 1.803 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598195945 343727875 /nfs/dbraw/zinc/72/78/75/343727875.db2.gz XGROAZABEWEJMU-ZBFHGGJFSA-N 1 3 285.391 1.921 20 30 CDEDHO CC(C#N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195945 343727878 /nfs/dbraw/zinc/72/78/78/343727878.db2.gz XGROAZABEWEJMU-ZBFHGGJFSA-N 1 3 285.391 1.921 20 30 CDEDHO C[C@@H](CCC#N)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000602654649 344517716 /nfs/dbraw/zinc/51/77/16/344517716.db2.gz ILIXMERHQMZYNB-AWEZNQCLSA-N 1 3 266.433 1.542 20 30 CDEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CC2 ZINC000353406433 375476600 /nfs/dbraw/zinc/47/66/00/375476600.db2.gz WXACJTMEYSKPPL-RDJZCZTQSA-N 1 3 285.391 1.592 20 30 CDEDHO CN1CCC(O)(CNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000328742447 375941090 /nfs/dbraw/zinc/94/10/90/375941090.db2.gz JLPUZLWIVRPPEH-UHFFFAOYSA-N 1 3 295.427 1.274 20 30 CDEDHO CCC#C[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000678720687 483152583 /nfs/dbraw/zinc/15/25/83/483152583.db2.gz XZYGROGWKHWFPK-HNNXBMFYSA-N 1 3 265.445 1.746 20 30 CDEDHO C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173619529 261166415 /nfs/dbraw/zinc/16/64/15/261166415.db2.gz LXXOWAZGFBMMGQ-LBPRGKRZSA-N 1 3 253.390 1.140 20 30 CDEDHO CCNC(NCc1ccccc1OCCN(C)C)=[NH+]CC ZINC000161526801 261249681 /nfs/dbraw/zinc/24/96/81/261249681.db2.gz YBDCWVQTRNEHCJ-UHFFFAOYSA-N 1 3 292.427 1.702 20 30 CDEDHO CC(C)CNC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270602967 262989857 /nfs/dbraw/zinc/98/98/57/262989857.db2.gz WJKXJNXZNSDOJU-UHFFFAOYSA-N 1 3 293.415 1.082 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000417072806 263781356 /nfs/dbraw/zinc/78/13/56/263781356.db2.gz XHTQWWOGAKENJI-AWEZNQCLSA-N 1 3 296.459 1.722 20 30 CDEDHO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001669909784 1173629572 /nfs/dbraw/zinc/62/95/72/1173629572.db2.gz JHHMYDWHPFKUIK-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001669909784 1173629574 /nfs/dbraw/zinc/62/95/74/1173629574.db2.gz JHHMYDWHPFKUIK-ZIAGYGMSSA-N 1 3 269.433 1.729 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC1(C)C ZINC000262398720 330012664 /nfs/dbraw/zinc/01/26/64/330012664.db2.gz NGSUTWYEEVRSGU-VXGBXAGGSA-N 1 3 252.406 1.421 20 30 CDEDHO C[C@@H]1C[NH+]=C(NCC(C)(C)N2C[C@H](C)C[C@H](C)C2)N1 ZINC000262471729 330015635 /nfs/dbraw/zinc/01/56/35/330015635.db2.gz BFLQWMMGQIIUIB-FRRDWIJNSA-N 1 3 266.433 1.680 20 30 CDEDHO CN(C)C1(CNC(=[NH2+])N2CCSCC2)CCCCC1 ZINC000263252161 330050572 /nfs/dbraw/zinc/05/05/72/330050572.db2.gz PIIOLHJYZFXFKT-UHFFFAOYSA-N 1 3 284.473 1.614 20 30 CDEDHO C=CCNC(NCC1(N(C)C)CCCCC1)=[NH+]C ZINC000263266732 330051081 /nfs/dbraw/zinc/05/10/81/330051081.db2.gz VKQROIXVGWLURA-UHFFFAOYSA-N 1 3 252.406 1.602 20 30 CDEDHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](N)CCCC#N ZINC000424132132 330264216 /nfs/dbraw/zinc/26/42/16/330264216.db2.gz KKLQZTVTPLXKCM-HUUCEWRRSA-N 1 3 294.443 1.778 20 30 CDEDHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](N)CCCC#N ZINC000424132132 330264217 /nfs/dbraw/zinc/26/42/17/330264217.db2.gz KKLQZTVTPLXKCM-HUUCEWRRSA-N 1 3 294.443 1.778 20 30 CDEDHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424136306 330272319 /nfs/dbraw/zinc/27/23/19/330272319.db2.gz AHOKYEKEHZRNCY-UONOGXRCSA-N 1 3 280.416 1.198 20 30 CDEDHO CC(C)C[C@H](CNC(=O)[C@H](N)CCCC#N)[NH+](C)C ZINC000424137052 330273417 /nfs/dbraw/zinc/27/34/17/330273417.db2.gz RNVVZXICGGDLPD-CHWSQXEVSA-N 1 3 268.405 1.100 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000490594274 332094004 /nfs/dbraw/zinc/09/40/04/332094004.db2.gz NZBCNSHOIDQWCS-OAHLLOKOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000490594274 332094005 /nfs/dbraw/zinc/09/40/05/332094005.db2.gz NZBCNSHOIDQWCS-OAHLLOKOSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000491119562 332151626 /nfs/dbraw/zinc/15/16/26/332151626.db2.gz IXEOWYXGUYJXQI-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000491119562 332151628 /nfs/dbraw/zinc/15/16/28/332151628.db2.gz IXEOWYXGUYJXQI-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000491119562 332151629 /nfs/dbraw/zinc/15/16/29/332151629.db2.gz IXEOWYXGUYJXQI-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000491209483 332166385 /nfs/dbraw/zinc/16/63/85/332166385.db2.gz HVDBBORGSLXGFH-XHSDSOJGSA-N 1 3 263.429 1.404 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971711984 613627425 /nfs/dbraw/zinc/62/74/25/613627425.db2.gz HVWKMPFSLYLDTF-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971711984 613627428 /nfs/dbraw/zinc/62/74/28/613627428.db2.gz HVWKMPFSLYLDTF-GJZGRUSLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265874 613730874 /nfs/dbraw/zinc/73/08/74/613730874.db2.gz XVNVTUDWCUEVBI-CJNGLKHVSA-N 1 3 298.390 1.961 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967265874 613730875 /nfs/dbraw/zinc/73/08/75/613730875.db2.gz XVNVTUDWCUEVBI-CJNGLKHVSA-N 1 3 298.390 1.961 20 30 CDEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306615 613822761 /nfs/dbraw/zinc/82/27/61/613822761.db2.gz VKJMVMDBFOJBTB-OIISXLGYSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306615 613822763 /nfs/dbraw/zinc/82/27/63/613822763.db2.gz VKJMVMDBFOJBTB-OIISXLGYSA-N 1 3 293.455 1.683 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232401 1158545774 /nfs/dbraw/zinc/54/57/74/1158545774.db2.gz BGTJIOUIPANKHR-OAHLLOKOSA-N 1 3 291.439 1.228 20 30 CDEDHO CN(C)/C=N/c1ccc(NCCN(C)CC[NH3+])cc1C#N ZINC001170502590 1162665032 /nfs/dbraw/zinc/66/50/32/1162665032.db2.gz DPQRXWFGQOOMEY-XDHOZWIPSA-N 1 3 288.399 1.082 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754944853 1159491681 /nfs/dbraw/zinc/49/16/81/1159491681.db2.gz MAZGEFAPZCSFKH-CQSZACIVSA-N 1 3 267.417 1.341 20 30 CDEDHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001725425017 1181996471 /nfs/dbraw/zinc/99/64/71/1181996471.db2.gz PLBBSQQSBXCMFN-MRXNPFEDSA-N 1 3 293.455 1.519 20 30 CDEDHO C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001725425017 1181996476 /nfs/dbraw/zinc/99/64/76/1181996476.db2.gz PLBBSQQSBXCMFN-MRXNPFEDSA-N 1 3 293.455 1.519 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001752952359 1184975321 /nfs/dbraw/zinc/97/53/21/1184975321.db2.gz XITSBXVECKUXIQ-HNNXBMFYSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CC[NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001753644891 1185283801 /nfs/dbraw/zinc/28/38/01/1185283801.db2.gz OTYWKWSNXYZQAW-CQSZACIVSA-N 1 3 287.407 1.337 20 30 CDEDHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CCC)CC1 ZINC001754208925 1185506285 /nfs/dbraw/zinc/50/62/85/1185506285.db2.gz CKWZHDLMPSNMRM-WAYWQWQTSA-N 1 3 277.412 1.004 20 30 CDEDHO C#CC[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCCC1 ZINC001755352412 1185925090 /nfs/dbraw/zinc/92/50/90/1185925090.db2.gz APJMMMITOIWXJK-UHFFFAOYSA-N 1 3 291.439 1.513 20 30 CDEDHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001755530810 1185982591 /nfs/dbraw/zinc/98/25/91/1185982591.db2.gz PLBBSQQSBXCMFN-INIZCTEOSA-N 1 3 293.455 1.519 20 30 CDEDHO C#CCC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001755530810 1185982596 /nfs/dbraw/zinc/98/25/96/1185982596.db2.gz PLBBSQQSBXCMFN-INIZCTEOSA-N 1 3 293.455 1.519 20 30 CDEDHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001755712922 1186044586 /nfs/dbraw/zinc/04/45/86/1186044586.db2.gz RVJAFPAFHKDBTO-OWCLPIDISA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537879 790057204 /nfs/dbraw/zinc/05/72/04/790057204.db2.gz UOYXGCCWDHJOHU-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537879 790057217 /nfs/dbraw/zinc/05/72/17/790057217.db2.gz UOYXGCCWDHJOHU-CABCVRRESA-N 1 3 279.428 1.483 20 30 CDEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857234859 790093149 /nfs/dbraw/zinc/09/31/49/790093149.db2.gz NULOBDMDIJTAPW-MJBXVCDLSA-N 1 3 267.417 1.750 20 30 CDEDHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000817915529 790180820 /nfs/dbraw/zinc/18/08/20/790180820.db2.gz NTGZETZLXKYWRC-OCCSQVGLSA-N 1 3 259.353 1.784 20 30 CDEDHO C=CC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000996996330 791387459 /nfs/dbraw/zinc/38/74/59/791387459.db2.gz XZPRQHBDJIRLRC-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCNC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000852115513 791761254 /nfs/dbraw/zinc/76/12/54/791761254.db2.gz HUDCSGJWHLHTBC-UHFFFAOYSA-N 1 3 299.418 1.380 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591714 792091052 /nfs/dbraw/zinc/09/10/52/792091052.db2.gz STNRVBHVSWWEOH-OJAKKHQRSA-N 1 3 285.819 1.173 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020591714 792091068 /nfs/dbraw/zinc/09/10/68/792091068.db2.gz STNRVBHVSWWEOH-OJAKKHQRSA-N 1 3 285.819 1.173 20 30 CDEDHO C#CC[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736434 793261110 /nfs/dbraw/zinc/26/11/10/793261110.db2.gz ZTJQFFSYNBSOFP-LSDHHAIUSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736434 793261132 /nfs/dbraw/zinc/26/11/32/793261132.db2.gz ZTJQFFSYNBSOFP-LSDHHAIUSA-N 1 3 289.423 1.027 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849025541 793323447 /nfs/dbraw/zinc/32/34/47/793323447.db2.gz MMLDVFMWYGWHEF-KKUMJFAQSA-N 1 3 294.443 1.566 20 30 CDEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001050649147 793995653 /nfs/dbraw/zinc/99/56/53/793995653.db2.gz QIFZSIUAWPBRKK-OAHLLOKOSA-N 1 3 293.455 1.683 20 30 CDEDHO N#Cc1ccc(NCCN[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000925893896 794538367 /nfs/dbraw/zinc/53/83/67/794538367.db2.gz RWWTXEBELGKGEW-QWHCGFSZSA-N 1 3 259.357 1.225 20 30 CDEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985470162 794950575 /nfs/dbraw/zinc/95/05/75/794950575.db2.gz MJHJPPNVKQMWRI-OAHLLOKOSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985470162 794950581 /nfs/dbraw/zinc/95/05/81/794950581.db2.gz MJHJPPNVKQMWRI-OAHLLOKOSA-N 1 3 279.428 1.435 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052395753 794987126 /nfs/dbraw/zinc/98/71/26/794987126.db2.gz ZFXWIXCZZMSBBH-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395753 794987138 /nfs/dbraw/zinc/98/71/38/794987138.db2.gz ZFXWIXCZZMSBBH-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587498 795336115 /nfs/dbraw/zinc/33/61/15/795336115.db2.gz CTRMNYRSJQCDOD-MRXNPFEDSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001000194501 795373282 /nfs/dbraw/zinc/37/32/82/795373282.db2.gz VUQFNAIJVCSMGF-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C[C@H](CNC(=[NH2+])NCC1CCC1)N1CCC(C)CC1 ZINC000104181377 795710245 /nfs/dbraw/zinc/71/02/45/795710245.db2.gz FOGZFMBDGHCRFZ-CYBMUJFWSA-N 1 3 266.433 1.811 20 30 CDEDHO C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001032027460 796112095 /nfs/dbraw/zinc/11/20/95/796112095.db2.gz SEGTTXCREIZWRL-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CC(C)C)N(C)C ZINC000303774857 796215503 /nfs/dbraw/zinc/21/55/03/796215503.db2.gz GFPDJEWWBTXZCM-CABCVRRESA-N 1 3 297.491 1.351 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175318386 913540014 /nfs/dbraw/zinc/54/00/14/913540014.db2.gz ZNAQASKTZVSQRB-KGLIPLIRSA-N 1 3 269.433 1.777 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175769652 913783151 /nfs/dbraw/zinc/78/31/51/913783151.db2.gz TZQQTPRVPIKSPO-CQSZACIVSA-N 1 3 269.433 1.779 20 30 CDEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266352642 894516595 /nfs/dbraw/zinc/51/65/95/894516595.db2.gz FHJMYNZSMYBTEN-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266352642 894516604 /nfs/dbraw/zinc/51/66/04/894516604.db2.gz FHJMYNZSMYBTEN-HUUCEWRRSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224941 894903769 /nfs/dbraw/zinc/90/37/69/894903769.db2.gz OSSUFMIADSCHME-HNNXBMFYSA-N 1 3 293.455 1.923 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000989826702 909016895 /nfs/dbraw/zinc/01/68/95/909016895.db2.gz RUOREFISENCXJG-WMLDXEAASA-N 1 3 299.418 1.574 20 30 CDEDHO CC#CC[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178705214 915599656 /nfs/dbraw/zinc/59/96/56/915599656.db2.gz ITUMPQCXUIBEPT-UHFFFAOYSA-N 1 3 293.455 1.760 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182606804 918009506 /nfs/dbraw/zinc/00/95/06/918009506.db2.gz AUQRHUKXSLMVLV-BFYDXBDKSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000996731643 918400389 /nfs/dbraw/zinc/40/03/89/918400389.db2.gz ZCMPTRAJOUYMQV-CQSZACIVSA-N 1 3 299.846 1.804 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186486527 920035180 /nfs/dbraw/zinc/03/51/80/920035180.db2.gz AVSAHCPKUYCPOU-CQSZACIVSA-N 1 3 267.417 1.485 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190997128 922365415 /nfs/dbraw/zinc/36/54/15/922365415.db2.gz RHMPOPFGADVKHB-AWEZNQCLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001190997128 922365430 /nfs/dbraw/zinc/36/54/30/922365430.db2.gz RHMPOPFGADVKHB-AWEZNQCLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266077 924141728 /nfs/dbraw/zinc/14/17/28/924141728.db2.gz KENABMJITRBQSI-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001194266077 924141735 /nfs/dbraw/zinc/14/17/35/924141735.db2.gz KENABMJITRBQSI-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283955 924159825 /nfs/dbraw/zinc/15/98/25/924159825.db2.gz CQANSVXUXUSZDN-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283955 924159832 /nfs/dbraw/zinc/15/98/32/924159832.db2.gz CQANSVXUXUSZDN-OAHLLOKOSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370246 937054188 /nfs/dbraw/zinc/05/41/88/937054188.db2.gz VDILJOAILYNQLC-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370246 937054191 /nfs/dbraw/zinc/05/41/91/937054191.db2.gz VDILJOAILYNQLC-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370202 937054227 /nfs/dbraw/zinc/05/42/27/937054227.db2.gz UKFDOBKTHSPDBB-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370202 937054231 /nfs/dbraw/zinc/05/42/31/937054231.db2.gz UKFDOBKTHSPDBB-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197741 926814093 /nfs/dbraw/zinc/81/40/93/926814093.db2.gz YPWWUTNRFFEKMT-SCUASFONSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086197741 926814101 /nfs/dbraw/zinc/81/41/01/926814101.db2.gz YPWWUTNRFFEKMT-SCUASFONSA-N 1 3 299.846 1.421 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979644 930579082 /nfs/dbraw/zinc/57/90/82/930579082.db2.gz IBWNOWCJOWXAPG-KGLIPLIRSA-N 1 3 269.433 1.777 20 30 CDEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171261600 932187369 /nfs/dbraw/zinc/18/73/69/932187369.db2.gz WIKBHEDLVMKGDW-HNNXBMFYSA-N 1 3 293.455 1.759 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111233359 934292851 /nfs/dbraw/zinc/29/28/51/934292851.db2.gz NMYUUOSKGUGKPM-KFWWJZLASA-N 1 3 277.412 1.073 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111233359 934292855 /nfs/dbraw/zinc/29/28/55/934292855.db2.gz NMYUUOSKGUGKPM-KFWWJZLASA-N 1 3 277.412 1.073 20 30 CDEDHO CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793742 939704947 /nfs/dbraw/zinc/70/49/47/939704947.db2.gz TVQLFMNWGRYJTJ-CABCVRRESA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275617 940010182 /nfs/dbraw/zinc/01/01/82/940010182.db2.gz XBILOKSMEJGGOK-HNNXBMFYSA-N 1 3 293.455 1.733 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207261820 940173790 /nfs/dbraw/zinc/17/37/90/940173790.db2.gz ATRGICSPSHQHAY-RBSFLKMASA-N 1 3 299.434 1.679 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207261820 940173791 /nfs/dbraw/zinc/17/37/91/940173791.db2.gz ATRGICSPSHQHAY-RBSFLKMASA-N 1 3 299.434 1.679 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257005 940742542 /nfs/dbraw/zinc/74/25/42/940742542.db2.gz OAFMBFCYGQLYIG-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855602 940841815 /nfs/dbraw/zinc/84/18/15/940841815.db2.gz HWWSVBPEEGAQJA-BMFZPTHFSA-N 1 3 293.455 1.729 20 30 CDEDHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC001220046752 941407660 /nfs/dbraw/zinc/40/76/60/941407660.db2.gz CDOBLMWWLIFEPZ-XHDPSFHLSA-N 1 3 286.379 1.062 20 30 CDEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221292628 941513424 /nfs/dbraw/zinc/51/34/24/941513424.db2.gz PUXLWPVHYQDHRD-ZFWWWQNUSA-N 1 3 282.432 1.490 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230366800 942612310 /nfs/dbraw/zinc/61/23/10/942612310.db2.gz IMESOXIMKDIMRB-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C[C@](C)(O)CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001252572371 951464414 /nfs/dbraw/zinc/46/44/14/951464414.db2.gz PVBDWIYLYSIYJC-KFWWJZLASA-N 1 3 254.418 1.881 20 30 CDEDHO C=C[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001253585393 951974384 /nfs/dbraw/zinc/97/43/84/951974384.db2.gz XCWNVNYNNAXWHV-IAGOWNOFSA-N 1 3 274.408 1.987 20 30 CDEDHO C=C[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253585393 951974391 /nfs/dbraw/zinc/97/43/91/951974391.db2.gz XCWNVNYNNAXWHV-IAGOWNOFSA-N 1 3 274.408 1.987 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001341695444 963513757 /nfs/dbraw/zinc/51/37/57/963513757.db2.gz FRDYHBJEAVUERX-CHWSQXEVSA-N 1 3 265.401 1.141 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001341892627 963573841 /nfs/dbraw/zinc/57/38/41/963573841.db2.gz IQCIUKZLUOACCJ-QWHCGFSZSA-N 1 3 265.401 1.461 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001343457670 963990235 /nfs/dbraw/zinc/99/02/35/963990235.db2.gz GYFMQAXHPULVQV-ZDUSSCGKSA-N 1 3 265.401 1.272 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100320768 968008879 /nfs/dbraw/zinc/00/88/79/968008879.db2.gz RLTXTODIPPKHKT-UYSNPLJNSA-N 1 3 293.455 1.920 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001376946858 974826458 /nfs/dbraw/zinc/82/64/58/974826458.db2.gz XYQXYNPPXXFGRK-OLZOCXBDSA-N 1 3 287.835 1.517 20 30 CDEDHO C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCC[NH3+] ZINC000595257879 343013167 /nfs/dbraw/zinc/01/31/67/343013167.db2.gz AVXDWBSCWSUOQP-HZSPNIEDSA-N 1 3 280.416 1.374 20 30 CDEDHO CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329733068 362029365 /nfs/dbraw/zinc/02/93/65/362029365.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329733068 362029371 /nfs/dbraw/zinc/02/93/71/362029371.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329733068 362029377 /nfs/dbraw/zinc/02/93/77/362029377.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329733068 362029379 /nfs/dbraw/zinc/02/93/79/362029379.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329733068 362029385 /nfs/dbraw/zinc/02/93/85/362029385.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329733068 362029392 /nfs/dbraw/zinc/02/93/92/362029392.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 3 291.399 1.065 20 30 CDEDHO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000600734157 349877699 /nfs/dbraw/zinc/87/76/99/349877699.db2.gz FFMMAPGUYSPPBJ-RDJZCZTQSA-N 1 3 285.391 1.592 20 30 CDEDHO C[C@H](CCC#N)C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000602655941 344518326 /nfs/dbraw/zinc/51/83/26/344518326.db2.gz IOWLQSPJKRUQQA-MRXNPFEDSA-N 1 3 292.471 1.886 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195390 362928628 /nfs/dbraw/zinc/92/86/28/362928628.db2.gz OAWJUHPHGUOMJV-INIZCTEOSA-N 1 3 295.471 1.727 20 30 CDEDHO CN(C)C(=[NH+]CC1CCN(c2ccncc2)CC1)N(C)C ZINC000179737819 357222739 /nfs/dbraw/zinc/22/27/39/357222739.db2.gz RHINAUAERQMHQJ-UHFFFAOYSA-N 1 3 289.427 1.777 20 30 CDEDHO C=C[C@@H]1OCC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000562665579 361680065 /nfs/dbraw/zinc/68/00/65/361680065.db2.gz IJOFLRVGRPWXKQ-CABCVRRESA-N 1 3 250.386 1.794 20 30 CDEDHO CN1CCN(CC[NH2+]Cc2cc(C#N)cs2)CC1(C)C ZINC000441337634 370109065 /nfs/dbraw/zinc/10/90/65/370109065.db2.gz BLVUYZMOLWCYOO-UHFFFAOYSA-N 1 3 292.452 1.735 20 30 CDEDHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1C#N ZINC000414911953 374221958 /nfs/dbraw/zinc/22/19/58/374221958.db2.gz HKFAMGPBDGHXGM-UONOGXRCSA-N 1 3 259.353 1.926 20 30 CDEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352437824 391137992 /nfs/dbraw/zinc/13/79/92/391137992.db2.gz ICNHDPQWJWPUJV-CWRNSKLLSA-N 1 3 283.375 1.736 20 30 CDEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352437824 391137996 /nfs/dbraw/zinc/13/79/96/391137996.db2.gz ICNHDPQWJWPUJV-CWRNSKLLSA-N 1 3 283.375 1.736 20 30 CDEDHO C=CCC[C@H](O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423651 391161926 /nfs/dbraw/zinc/16/19/26/391161926.db2.gz XDBBLVVNXZIZGV-CAOSSQGBSA-N 1 3 282.428 1.497 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000417067384 391341810 /nfs/dbraw/zinc/34/18/10/391341810.db2.gz RDTCSQFFIWROMM-CABCVRRESA-N 1 3 296.459 1.674 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000619672675 393178008 /nfs/dbraw/zinc/17/80/08/393178008.db2.gz MENWKZDTKUGYKQ-ZNMIVQPWSA-N 1 3 276.428 1.437 20 30 CDEDHO C=CCN(CC(=O)NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000661754785 414336434 /nfs/dbraw/zinc/33/64/34/414336434.db2.gz ASJUPSDBIPLGPH-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341088052 263321696 /nfs/dbraw/zinc/32/16/96/263321696.db2.gz JXZUSHONWKSDRR-DZGCQCFKSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341088052 263321699 /nfs/dbraw/zinc/32/16/99/263321699.db2.gz JXZUSHONWKSDRR-DZGCQCFKSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000171725540 329079287 /nfs/dbraw/zinc/07/92/87/329079287.db2.gz FFRKJPAAZKZCKZ-CQSZACIVSA-N 1 3 280.416 1.030 20 30 CDEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000171725540 329079289 /nfs/dbraw/zinc/07/92/89/329079289.db2.gz FFRKJPAAZKZCKZ-CQSZACIVSA-N 1 3 280.416 1.030 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185774193 329331590 /nfs/dbraw/zinc/33/15/90/329331590.db2.gz DSIWWDXYDAXGTQ-ZBFHGGJFSA-N 1 3 278.444 1.684 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262710747 330028324 /nfs/dbraw/zinc/02/83/24/330028324.db2.gz PJABWLOAKLERNX-NSHDSACASA-N 1 3 274.359 1.420 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H](C)[C@H]2CCCCN2)CC1 ZINC000422854687 330157856 /nfs/dbraw/zinc/15/78/56/330157856.db2.gz BFMKSRXAQXOSKO-DZGCQCFKSA-N 1 3 251.418 1.757 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)C[C@@H]1C ZINC000424142134 330284109 /nfs/dbraw/zinc/28/41/09/330284109.db2.gz HXMKIRYFIAICML-MELADBBJSA-N 1 3 280.416 1.339 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)C[C@@H]1C ZINC000424142134 330284110 /nfs/dbraw/zinc/28/41/10/330284110.db2.gz HXMKIRYFIAICML-MELADBBJSA-N 1 3 280.416 1.339 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491765412 332333842 /nfs/dbraw/zinc/33/38/42/332333842.db2.gz DDAGSUMVUJPZJX-KKUMJFAQSA-N 1 3 279.428 1.319 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001483934269 1161242541 /nfs/dbraw/zinc/24/25/41/1161242541.db2.gz LFMFASLCPXYAJR-QWHCGFSZSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001755315385 1185912040 /nfs/dbraw/zinc/91/20/40/1185912040.db2.gz ONRTUWNTWWEPFQ-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000347044346 528467437 /nfs/dbraw/zinc/46/74/37/528467437.db2.gz XUHCMTVEULGCMA-QWHCGFSZSA-N 1 3 251.374 1.917 20 30 CDEDHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000347044346 528467440 /nfs/dbraw/zinc/46/74/40/528467440.db2.gz XUHCMTVEULGCMA-QWHCGFSZSA-N 1 3 251.374 1.917 20 30 CDEDHO C=C(CN(C)C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000764540277 575919688 /nfs/dbraw/zinc/91/96/88/575919688.db2.gz MQINMUWNGANIPV-CYBMUJFWSA-N 1 3 269.433 1.587 20 30 CDEDHO C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483324 613095716 /nfs/dbraw/zinc/09/57/16/613095716.db2.gz NEWOUFWXSSFWCT-INIZCTEOSA-N 1 3 299.418 1.528 20 30 CDEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144808 613545169 /nfs/dbraw/zinc/54/51/69/613545169.db2.gz UKIQVEDUSYKXQL-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144808 613545171 /nfs/dbraw/zinc/54/51/71/613545171.db2.gz UKIQVEDUSYKXQL-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567660 613633669 /nfs/dbraw/zinc/63/36/69/613633669.db2.gz UCVQSXHAZPHNPZ-SOUVJXGZSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971567660 613633672 /nfs/dbraw/zinc/63/36/72/613633672.db2.gz UCVQSXHAZPHNPZ-SOUVJXGZSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435953 1162473666 /nfs/dbraw/zinc/47/36/66/1162473666.db2.gz KPKFQJXCTJSEME-JSGCOSHPSA-N 1 3 267.417 1.387 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266764 1163221133 /nfs/dbraw/zinc/22/11/33/1163221133.db2.gz ZWAJZYSWAPWCAM-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135365 1163580018 /nfs/dbraw/zinc/58/00/18/1163580018.db2.gz PZZWYKKMRDSVJR-CHWSQXEVSA-N 1 3 276.384 1.212 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819528 1163907916 /nfs/dbraw/zinc/90/79/16/1163907916.db2.gz FRXAHAYTMYVPCT-HNNXBMFYSA-N 1 3 281.444 1.923 20 30 CDEDHO C=CCN1CC[C@H](N2CCC3(CCC[C@H]3C[NH3+])CC2)C1=O ZINC001574936958 1171054886 /nfs/dbraw/zinc/05/48/86/1171054886.db2.gz QGEHFJYVXGJUSH-GJZGRUSLSA-N 1 3 291.439 1.614 20 30 CDEDHO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001752806990 1184919351 /nfs/dbraw/zinc/91/93/51/1184919351.db2.gz WLVKSDOOAZFRDR-CVEARBPZSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CC[NH2+]C[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001753524497 1185247798 /nfs/dbraw/zinc/24/77/98/1185247798.db2.gz FTCIAIGNNFYWLQ-QGZVFWFLSA-N 1 3 293.455 1.472 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001755188509 1185844591 /nfs/dbraw/zinc/84/45/91/1185844591.db2.gz GUTHHRLDKKYPCJ-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001755188509 1185844599 /nfs/dbraw/zinc/84/45/99/1185844599.db2.gz GUTHHRLDKKYPCJ-UONOGXRCSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001755315385 1185912037 /nfs/dbraw/zinc/91/20/37/1185912037.db2.gz ONRTUWNTWWEPFQ-HUUCEWRRSA-N 1 3 283.460 1.975 20 30 CDEDHO C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001755526187 1185979860 /nfs/dbraw/zinc/97/98/60/1185979860.db2.gz BWCXLLJHHWIFPU-HOTGVXAUSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001036055969 796557591 /nfs/dbraw/zinc/55/75/91/796557591.db2.gz SECJLUQZIFSPMW-KBPBESRZSA-N 1 3 279.428 1.483 20 30 CDEDHO CC(C)N(CCNC(=[NH2+])N1CCCCC1)C(C)C ZINC000303722632 796684122 /nfs/dbraw/zinc/68/41/22/796684122.db2.gz YKTVGAMPHJSSBI-UHFFFAOYSA-N 1 3 254.422 1.906 20 30 CDEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688990 797060532 /nfs/dbraw/zinc/06/05/32/797060532.db2.gz ZEGMSYMLDUHCGT-DOTOQJQBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001041688990 797060536 /nfs/dbraw/zinc/06/05/36/797060536.db2.gz ZEGMSYMLDUHCGT-DOTOQJQBSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014723397 797245135 /nfs/dbraw/zinc/24/51/35/797245135.db2.gz OWLCEAHNBOZNDS-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014723397 797245168 /nfs/dbraw/zinc/24/51/68/797245168.db2.gz OWLCEAHNBOZNDS-HZPDHXFCSA-N 1 3 291.439 1.463 20 30 CDEDHO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001566879710 1168455974 /nfs/dbraw/zinc/45/59/74/1168455974.db2.gz RZVLICKZFDTROR-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001566879710 1168455977 /nfs/dbraw/zinc/45/59/77/1168455977.db2.gz RZVLICKZFDTROR-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968633 921542230 /nfs/dbraw/zinc/54/22/30/921542230.db2.gz SBRHRRJPWOHXFB-GDBMZVCRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CC[NH2+]CCCNC(=O)CN(C)CCC ZINC001171762781 910936566 /nfs/dbraw/zinc/93/65/66/910936566.db2.gz KUYOFCQXQUTUOG-UHFFFAOYSA-N 1 3 255.406 1.390 20 30 CDEDHO C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001031713521 915014967 /nfs/dbraw/zinc/01/49/67/915014967.db2.gz AXRUDAQNRPUGSS-INIZCTEOSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001483940903 915215321 /nfs/dbraw/zinc/21/53/21/915215321.db2.gz IJFVSBIQUMYDJT-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001521686280 915841762 /nfs/dbraw/zinc/84/17/62/915841762.db2.gz LCJRSUCTXDZZEY-HNNXBMFYSA-N 1 3 279.428 1.661 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@H](CC)N1CCCC1 ZINC000303900889 935047300 /nfs/dbraw/zinc/04/73/00/935047300.db2.gz SKZODLMYJLWNRX-CYBMUJFWSA-N 1 3 270.421 1.192 20 30 CDEDHO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001183228507 918371740 /nfs/dbraw/zinc/37/17/40/918371740.db2.gz JPJDNUQSQZNKOD-NVXWUHKLSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582781 918466491 /nfs/dbraw/zinc/46/64/91/918466491.db2.gz VLGJQUXITOXATB-NVXWUHKLSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582781 918466499 /nfs/dbraw/zinc/46/64/99/918466499.db2.gz VLGJQUXITOXATB-NVXWUHKLSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665321 919697843 /nfs/dbraw/zinc/69/78/43/919697843.db2.gz PPEURHAAXOPDJG-HOTGVXAUSA-N 1 3 291.439 1.580 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185919110 919817450 /nfs/dbraw/zinc/81/74/50/919817450.db2.gz UXRPJOHHSIQBPL-GFCCVEGCSA-N 1 3 262.357 1.109 20 30 CDEDHO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185918165 919817639 /nfs/dbraw/zinc/81/76/39/919817639.db2.gz JWBJEMRUTJTLJE-CQSZACIVSA-N 1 3 290.411 1.889 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073457133 936725011 /nfs/dbraw/zinc/72/50/11/936725011.db2.gz BXPZMVOXHQTIJL-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001073457133 936725013 /nfs/dbraw/zinc/72/50/13/936725013.db2.gz BXPZMVOXHQTIJL-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399495 922389507 /nfs/dbraw/zinc/38/95/07/922389507.db2.gz TXNKVEWVLROKRU-INIZCTEOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192398981 923075559 /nfs/dbraw/zinc/07/55/59/923075559.db2.gz UAUMZVMOGAUYRT-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192398981 923075576 /nfs/dbraw/zinc/07/55/76/923075576.db2.gz UAUMZVMOGAUYRT-GJZGRUSLSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550916 923127453 /nfs/dbraw/zinc/12/74/53/923127453.db2.gz LZEKFGCTEUZCII-CYBMUJFWSA-N 1 3 262.357 1.061 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001192550916 923127464 /nfs/dbraw/zinc/12/74/64/923127464.db2.gz LZEKFGCTEUZCII-CYBMUJFWSA-N 1 3 262.357 1.061 20 30 CDEDHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001568379203 1169267973 /nfs/dbraw/zinc/26/79/73/1169267973.db2.gz OKCCIDCBDFOEIF-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001082747499 924984848 /nfs/dbraw/zinc/98/48/48/924984848.db2.gz WOEPEOZBRITQHT-MCIONIFRSA-N 1 3 267.417 1.339 20 30 CDEDHO C#CCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207676 925677673 /nfs/dbraw/zinc/67/76/73/925677673.db2.gz ADFZMAFZRHRWRE-UHFFFAOYSA-N 1 3 293.455 1.759 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799031 926410160 /nfs/dbraw/zinc/41/01/60/926410160.db2.gz HSLXOLZTMVQIGS-OAHLLOKOSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000852357626 927776822 /nfs/dbraw/zinc/77/68/22/927776822.db2.gz FHJGUSGXCKXLSO-CQSZACIVSA-N 1 3 294.443 1.114 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000852357626 927776833 /nfs/dbraw/zinc/77/68/33/927776833.db2.gz FHJGUSGXCKXLSO-CQSZACIVSA-N 1 3 294.443 1.114 20 30 CDEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114997936 937315242 /nfs/dbraw/zinc/31/52/42/937315242.db2.gz NWGLTNKQVOWZAO-LJIGWXMPSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114997936 937315245 /nfs/dbraw/zinc/31/52/45/937315245.db2.gz NWGLTNKQVOWZAO-LJIGWXMPSA-N 1 3 293.455 1.729 20 30 CDEDHO C#CCN(C(=O)CC[NH2+]C(C)(C)C)C1CCN(C)CC1 ZINC000886571048 930907088 /nfs/dbraw/zinc/90/70/88/930907088.db2.gz HBIOTJJYAXYWJF-UHFFFAOYSA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153994310 937489511 /nfs/dbraw/zinc/48/95/11/937489511.db2.gz FYRYFTIVVFQWQT-OAHLLOKOSA-N 1 3 291.439 1.322 20 30 CDEDHO N#CCC1CCC(N2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246638784 932157851 /nfs/dbraw/zinc/15/78/51/932157851.db2.gz TWRJEBDXSZNFJK-YMAMQOFZSA-N 1 3 262.401 1.096 20 30 CDEDHO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593573 932270511 /nfs/dbraw/zinc/27/05/11/932270511.db2.gz QCYLDKPDJPEAIS-HUUCEWRRSA-N 1 3 299.459 1.402 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038671128 935233395 /nfs/dbraw/zinc/23/33/95/935233395.db2.gz PPICTOSISZONAA-AWEZNQCLSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049841670 936183099 /nfs/dbraw/zinc/18/30/99/936183099.db2.gz SZMFIYWCNXYAEI-BZUAXINKSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049841670 936183103 /nfs/dbraw/zinc/18/31/03/936183103.db2.gz SZMFIYWCNXYAEI-BZUAXINKSA-N 1 3 289.423 1.027 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001121990659 937897001 /nfs/dbraw/zinc/89/70/01/937897001.db2.gz QNZQTSIAMHGGKH-GJZGRUSLSA-N 1 3 299.459 1.641 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156672539 938404380 /nfs/dbraw/zinc/40/43/80/938404380.db2.gz SGHJOBGKQPCECC-AWEZNQCLSA-N 1 3 267.417 1.295 20 30 CDEDHO C=CCN(C)CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156672539 938404381 /nfs/dbraw/zinc/40/43/81/938404381.db2.gz SGHJOBGKQPCECC-AWEZNQCLSA-N 1 3 267.417 1.295 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113809 938455519 /nfs/dbraw/zinc/45/55/19/938455519.db2.gz OURYWDATJHRSEH-CQSZACIVSA-N 1 3 267.417 1.177 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113809 938455520 /nfs/dbraw/zinc/45/55/20/938455520.db2.gz OURYWDATJHRSEH-CQSZACIVSA-N 1 3 267.417 1.177 20 30 CDEDHO C=C(C)CN(CC)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160688514 938814618 /nfs/dbraw/zinc/81/46/18/938814618.db2.gz CVKBTSLVIFYRRX-AWEZNQCLSA-N 1 3 269.433 1.907 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866933 938834216 /nfs/dbraw/zinc/83/42/16/938834216.db2.gz DNHDSYPLPXIVOW-UONOGXRCSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160866933 938834219 /nfs/dbraw/zinc/83/42/19/938834219.db2.gz DNHDSYPLPXIVOW-UONOGXRCSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C[C@@H]1C[C@]1(N)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161425167 938902971 /nfs/dbraw/zinc/90/29/71/938902971.db2.gz UHCNHQUPUWYEFT-CRAIPNDOSA-N 1 3 299.418 1.671 20 30 CDEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485587 939567314 /nfs/dbraw/zinc/56/73/14/939567314.db2.gz ZPUGXRAGNULJJB-HNNXBMFYSA-N 1 3 291.439 1.226 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211258177 940742682 /nfs/dbraw/zinc/74/26/82/940742682.db2.gz ZPBKTLCWNRCWKF-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCN(CCN1CCC(F)(C[NH3+])CC1)C(=O)OCC ZINC001222526478 941608039 /nfs/dbraw/zinc/60/80/39/941608039.db2.gz BVUQSUSOCAZBPD-UHFFFAOYSA-N 1 3 287.379 1.394 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223473015 941680196 /nfs/dbraw/zinc/68/01/96/941680196.db2.gz ZZXMGZGDPCNXTN-INIZCTEOSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230373862 942615625 /nfs/dbraw/zinc/61/56/25/942615625.db2.gz CMMDFRBGGNHDAG-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO COc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C#N)c1 ZINC001236316182 944466004 /nfs/dbraw/zinc/46/60/04/944466004.db2.gz PRGRCNMRQRTFKM-GASCZTMLSA-N 1 3 285.391 1.998 20 30 CDEDHO C=C(C)C(=O)OCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679573 948391091 /nfs/dbraw/zinc/39/10/91/948391091.db2.gz OJXUVHPBDUXUHS-UHFFFAOYSA-N 1 3 296.411 1.339 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001325371787 953867552 /nfs/dbraw/zinc/86/75/52/953867552.db2.gz LYHKRJRZXIAENF-CYBMUJFWSA-N 1 3 282.432 1.324 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001340882303 956759369 /nfs/dbraw/zinc/75/93/69/956759369.db2.gz XCLPWAMHHIBMJN-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001340882303 956759375 /nfs/dbraw/zinc/75/93/75/956759375.db2.gz XCLPWAMHHIBMJN-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC001336810910 960613698 /nfs/dbraw/zinc/61/36/98/960613698.db2.gz KZGAGCGGSUFEEW-KBPBESRZSA-N 1 3 267.417 1.609 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001340792752 963130849 /nfs/dbraw/zinc/13/08/49/963130849.db2.gz YGPRGPKFXHNYFR-CQSZACIVSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001343407761 963972765 /nfs/dbraw/zinc/97/27/65/963972765.db2.gz LEINDFMNDKNFRG-GJZGRUSLSA-N 1 3 281.444 1.907 20 30 CDEDHO CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001100383030 968181606 /nfs/dbraw/zinc/18/16/06/968181606.db2.gz IELYVBHDMZRLQA-GPANFISMSA-N 1 3 291.439 1.369 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676019 968927051 /nfs/dbraw/zinc/92/70/51/968927051.db2.gz HHBFGRCQKOHJOM-FHERZECASA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CCCO1 ZINC001200858484 969032641 /nfs/dbraw/zinc/03/26/41/969032641.db2.gz GIMAUBLGBHUAAC-AWEZNQCLSA-N 1 3 297.443 1.110 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001357474366 969602593 /nfs/dbraw/zinc/60/25/93/969602593.db2.gz MIGZSPSWEZOEIN-RFQIPJPRSA-N 1 3 267.417 1.398 20 30 CDEDHO C#CCNCC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001521470609 970300988 /nfs/dbraw/zinc/30/09/88/970300988.db2.gz RPUBZOZLVNYETO-CQSZACIVSA-N 1 3 289.379 1.064 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133275607 1163624449 /nfs/dbraw/zinc/62/44/49/1163624449.db2.gz VEQJYTBOGGALHJ-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CC[C@@H](CO)C[NH2+]Cc1cc2c(s1)CCNC2 ZINC001574888431 1171038343 /nfs/dbraw/zinc/03/83/43/1171038343.db2.gz DNPAKXKXKLTIPR-LLVKDONJSA-N 1 3 266.410 1.668 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635530437 361765843 /nfs/dbraw/zinc/76/58/43/361765843.db2.gz BJSUOLCVBVNVPO-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635530437 361765847 /nfs/dbraw/zinc/76/58/47/361765847.db2.gz BJSUOLCVBVNVPO-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO CC(C#N)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603406627 344804208 /nfs/dbraw/zinc/80/42/08/344804208.db2.gz MYNMNYNRJUFYPR-ZDUSSCGKSA-N 1 3 251.374 1.871 20 30 CDEDHO C[NH+]=C(NCc1cccc(CN(C)C)c1)NC1CC1 ZINC000264089945 362963655 /nfs/dbraw/zinc/96/36/55/362963655.db2.gz WGHJVADSFIJEFV-UHFFFAOYSA-N 1 3 260.385 1.576 20 30 CDEDHO CCNC(=[NH2+])NCc1cccc(OCCN(C)C)c1 ZINC000264149589 362979999 /nfs/dbraw/zinc/97/99/99/362979999.db2.gz YWXZGXFLBJLOIT-UHFFFAOYSA-N 1 3 264.373 1.051 20 30 CDEDHO C#CCOc1ccc(CNCCC[N@@H+](C)CCOC)cc1 ZINC000264930978 359318818 /nfs/dbraw/zinc/31/88/18/359318818.db2.gz ARPAIXAAGKTLNM-UHFFFAOYSA-N 1 3 290.407 1.757 20 30 CDEDHO C#CCOc1ccc(CNCCC[N@H+](C)CCOC)cc1 ZINC000264930978 359318821 /nfs/dbraw/zinc/31/88/21/359318821.db2.gz ARPAIXAAGKTLNM-UHFFFAOYSA-N 1 3 290.407 1.757 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000248177263 361282803 /nfs/dbraw/zinc/28/28/03/361282803.db2.gz VUEOSGFQJBVYNS-OFQRWUPVSA-N 1 3 265.445 1.955 20 30 CDEDHO CC#CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130697165 375320373 /nfs/dbraw/zinc/32/03/73/375320373.db2.gz OMBNDOUAMRNQTC-UHFFFAOYSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000165199044 375935930 /nfs/dbraw/zinc/93/59/30/375935930.db2.gz ASCRGVOYTYBLJE-JKSUJKDBSA-N 1 3 293.455 1.943 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420906673 376460792 /nfs/dbraw/zinc/46/07/92/376460792.db2.gz CVANDIDZKICMHF-OAHLLOKOSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420906673 376460796 /nfs/dbraw/zinc/46/07/96/376460796.db2.gz CVANDIDZKICMHF-OAHLLOKOSA-N 1 3 294.443 1.372 20 30 CDEDHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442771446 378522381 /nfs/dbraw/zinc/52/23/81/378522381.db2.gz TVKHRCNFRBCTTL-RRFJBIMHSA-N 1 3 265.401 1.361 20 30 CDEDHO CCN1CCN(CCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174267576 379429020 /nfs/dbraw/zinc/42/90/20/379429020.db2.gz ZOGBHOUZTNXUQN-UHFFFAOYSA-N 1 3 280.460 1.934 20 30 CDEDHO C=CCN1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664019927 413025625 /nfs/dbraw/zinc/02/56/25/413025625.db2.gz OHMWPPAYRFLQSI-CYBMUJFWSA-N 1 3 282.432 1.276 20 30 CDEDHO C=CCOCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000339058641 391248413 /nfs/dbraw/zinc/24/84/13/391248413.db2.gz RJRIPDUANKDFTA-UHFFFAOYSA-N 1 3 295.471 1.679 20 30 CDEDHO C=CCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000339059537 391248536 /nfs/dbraw/zinc/24/85/36/391248536.db2.gz LRCVJRJTCPPLCN-HZPDHXFCSA-N 1 3 281.444 1.147 20 30 CDEDHO CN(C)CCOc1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262682281 391812024 /nfs/dbraw/zinc/81/20/24/391812024.db2.gz WUOAMOFOEPWOJV-UHFFFAOYSA-N 1 3 276.384 1.018 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000619672664 393177155 /nfs/dbraw/zinc/17/71/55/393177155.db2.gz MENWKZDTKUGYKQ-KFWWJZLASA-N 1 3 276.428 1.437 20 30 CDEDHO CC(C#N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000350363850 227002797 /nfs/dbraw/zinc/00/27/97/227002797.db2.gz OSZSQNYMGQXSLD-LBPRGKRZSA-N 1 3 263.385 1.917 20 30 CDEDHO CC[NH+](CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279845013 263057637 /nfs/dbraw/zinc/05/76/37/263057637.db2.gz GCUSSVLHLBUBJK-MRXNPFEDSA-N 1 3 298.390 1.699 20 30 CDEDHO CCc1nc(C)c(CNC(=[NH2+])NC[C@H]2CCCN2CC)o1 ZINC000291965300 263126756 /nfs/dbraw/zinc/12/67/56/263126756.db2.gz SCNBCOKFMKHITB-GFCCVEGCSA-N 1 3 293.415 1.434 20 30 CDEDHO C=CC[C@]1(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662679966 424301263 /nfs/dbraw/zinc/30/12/63/424301263.db2.gz QNYHMOZUAQQWHR-YQQAZPJKSA-N 1 3 293.455 1.921 20 30 CDEDHO C[NH+](C)Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000570925810 327635936 /nfs/dbraw/zinc/63/59/36/327635936.db2.gz KSONJFKPGWPEHG-CQSZACIVSA-N 1 3 274.368 1.708 20 30 CDEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])N2CCSCC2)(N(C)C)C1 ZINC000261976345 329993188 /nfs/dbraw/zinc/99/31/88/329993188.db2.gz GGOQVCDLCOJBJJ-HIFRSBDPSA-N 1 3 298.500 1.860 20 30 CDEDHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCCC#N ZINC000424127603 330259517 /nfs/dbraw/zinc/25/95/17/330259517.db2.gz BDWQNAJUICINQT-ZIAGYGMSSA-N 1 3 280.416 1.388 20 30 CDEDHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCCC#N ZINC000424127603 330259519 /nfs/dbraw/zinc/25/95/19/330259519.db2.gz BDWQNAJUICINQT-ZIAGYGMSSA-N 1 3 280.416 1.388 20 30 CDEDHO CC(C)C[NH+]1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424143597 330287972 /nfs/dbraw/zinc/28/79/72/330287972.db2.gz ZVSUJBCWSNSOBB-CQSZACIVSA-N 1 3 280.416 1.244 20 30 CDEDHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)[C@@H](C)C1 ZINC000424148395 330295035 /nfs/dbraw/zinc/29/50/35/330295035.db2.gz UIOMWHMAGOXNPJ-IHRRRGAJSA-N 1 3 280.416 1.196 20 30 CDEDHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)[C@@H](C)C1 ZINC000424148395 330295036 /nfs/dbraw/zinc/29/50/36/330295036.db2.gz UIOMWHMAGOXNPJ-IHRRRGAJSA-N 1 3 280.416 1.196 20 30 CDEDHO C[NH+](C)CCOc1cc(CN[C@H]2CC[C@H](C#N)C2)ccn1 ZINC000442816126 330785277 /nfs/dbraw/zinc/78/52/77/330785277.db2.gz DEJDHAVHHOZDIH-ZFWWWQNUSA-N 1 3 288.395 1.804 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000449122486 330900344 /nfs/dbraw/zinc/90/03/44/330900344.db2.gz LJZRRICWSOSJKJ-CQSZACIVSA-N 1 3 281.444 1.777 20 30 CDEDHO C#CCOCCN[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000753768828 576858729 /nfs/dbraw/zinc/85/87/29/576858729.db2.gz NIXYRKNTMJFZNY-CVEARBPZSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCOCCN[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000753768828 576858731 /nfs/dbraw/zinc/85/87/31/576858731.db2.gz NIXYRKNTMJFZNY-CVEARBPZSA-N 1 3 282.428 1.363 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648140 612996408 /nfs/dbraw/zinc/99/64/08/612996408.db2.gz JJWMVSJGJLSZPA-HOCLYGCPSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648140 612996410 /nfs/dbraw/zinc/99/64/10/612996410.db2.gz JJWMVSJGJLSZPA-HOCLYGCPSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775348 613177962 /nfs/dbraw/zinc/17/79/62/613177962.db2.gz GMSHGURNJHMNGI-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000948775348 613177963 /nfs/dbraw/zinc/17/79/63/613177963.db2.gz GMSHGURNJHMNGI-HOTGVXAUSA-N 1 3 291.439 1.417 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977453607 613341623 /nfs/dbraw/zinc/34/16/23/613341623.db2.gz OGZIWXQFBIOIRN-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977453607 613341624 /nfs/dbraw/zinc/34/16/24/613341624.db2.gz OGZIWXQFBIOIRN-CABCVRRESA-N 1 3 293.455 1.731 20 30 CDEDHO C[NH+](C)C1CCN(CCNCC#Cc2ccccc2)CC1 ZINC000893359897 617668889 /nfs/dbraw/zinc/66/88/89/617668889.db2.gz DSSDMMAORZHJLJ-UHFFFAOYSA-N 1 3 285.435 1.654 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911726216 629443990 /nfs/dbraw/zinc/44/39/90/629443990.db2.gz RTISKHSMFXUBEV-AGIUHOORSA-N 1 3 253.390 1.174 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911788993 629513622 /nfs/dbraw/zinc/51/36/22/629513622.db2.gz FVECFFUOOGTAFX-AWEZNQCLSA-N 1 3 273.380 1.954 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001754806957 1159461427 /nfs/dbraw/zinc/46/14/27/1159461427.db2.gz JTFQHKXFNIJPBS-JKSUJKDBSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114482506 1165324882 /nfs/dbraw/zinc/32/48/82/1165324882.db2.gz BLSPMEDQCZDAGB-WDNDVIMCSA-N 1 3 279.428 1.339 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114482506 1165324888 /nfs/dbraw/zinc/32/48/88/1165324888.db2.gz BLSPMEDQCZDAGB-WDNDVIMCSA-N 1 3 279.428 1.339 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202540118 1165624841 /nfs/dbraw/zinc/62/48/41/1165624841.db2.gz UMSKSBJYRVXRKE-UHFFFAOYSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001713418258 1178548558 /nfs/dbraw/zinc/54/85/58/1178548558.db2.gz AYLRLCZQYNUCAS-JKSUJKDBSA-N 1 3 293.455 1.757 20 30 CDEDHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001714236623 1179038178 /nfs/dbraw/zinc/03/81/78/1179038178.db2.gz UWJWWZDVCAJCGI-CVEARBPZSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001732558080 1183008515 /nfs/dbraw/zinc/00/85/15/1183008515.db2.gz NYLNSNJTWJHTIT-UONOGXRCSA-N 1 3 269.433 1.633 20 30 CDEDHO C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001753362796 1184469450 /nfs/dbraw/zinc/46/94/50/1184469450.db2.gz UTMSDGOBAZFFBP-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001753362796 1184469454 /nfs/dbraw/zinc/46/94/54/1184469454.db2.gz UTMSDGOBAZFFBP-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN(C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996259 1184988294 /nfs/dbraw/zinc/98/82/94/1184988294.db2.gz BAFKXRLKJOMQBS-OAHLLOKOSA-N 1 3 279.428 1.274 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001753340088 1185161473 /nfs/dbraw/zinc/16/14/73/1185161473.db2.gz XCKUQRHXPCOZJE-AWEZNQCLSA-N 1 3 290.411 1.665 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001753340088 1185161476 /nfs/dbraw/zinc/16/14/76/1185161476.db2.gz XCKUQRHXPCOZJE-AWEZNQCLSA-N 1 3 290.411 1.665 20 30 CDEDHO C#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001753474574 1185226490 /nfs/dbraw/zinc/22/64/90/1185226490.db2.gz ZJDBSSKSOXVQPE-AWEZNQCLSA-N 1 3 279.428 1.369 20 30 CDEDHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001754025738 1185430417 /nfs/dbraw/zinc/43/04/17/1185430417.db2.gz PPPXIASRDOACHR-LBPRGKRZSA-N 1 3 275.824 1.564 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001754918648 1185763151 /nfs/dbraw/zinc/76/31/51/1185763151.db2.gz HQZITUWUDXUXIR-CABCVRRESA-N 1 3 279.428 1.034 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001755734758 1186053078 /nfs/dbraw/zinc/05/30/78/1186053078.db2.gz DWBNWQSLSSVPJD-LSDHHAIUSA-N 1 3 291.439 1.369 20 30 CDEDHO C=CCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134766053 1164100610 /nfs/dbraw/zinc/10/06/10/1164100610.db2.gz CRZQOOCCJWJGJG-CQSZACIVSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]12 ZINC001026283888 811324851 /nfs/dbraw/zinc/32/48/51/811324851.db2.gz MXDKKUDCJGXFJF-RBSFLKMASA-N 1 3 291.439 1.483 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582397 811416439 /nfs/dbraw/zinc/41/64/39/811416439.db2.gz OSQNJNBHQKERTN-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582397 811416455 /nfs/dbraw/zinc/41/64/55/811416455.db2.gz OSQNJNBHQKERTN-LSDHHAIUSA-N 1 3 279.428 1.437 20 30 CDEDHO C#CCN(C)CCC[NH2+]Cc1cnccc1N(C)C ZINC000821213655 811784302 /nfs/dbraw/zinc/78/43/02/811784302.db2.gz NLZMHSLSSIWRIZ-UHFFFAOYSA-N 1 3 260.385 1.192 20 30 CDEDHO C#CC[N@@H+](C)CCCNCc1cnccc1N(C)C ZINC000821213655 811784310 /nfs/dbraw/zinc/78/43/10/811784310.db2.gz NLZMHSLSSIWRIZ-UHFFFAOYSA-N 1 3 260.385 1.192 20 30 CDEDHO C#CC[N@H+](C)CCCNCc1cnccc1N(C)C ZINC000821213655 811784327 /nfs/dbraw/zinc/78/43/27/811784327.db2.gz NLZMHSLSSIWRIZ-UHFFFAOYSA-N 1 3 260.385 1.192 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005993117 811833244 /nfs/dbraw/zinc/83/32/44/811833244.db2.gz ZBMJDSIDICMMTG-CQSZACIVSA-N 1 3 279.428 1.437 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001005993117 811833245 /nfs/dbraw/zinc/83/32/45/811833245.db2.gz ZBMJDSIDICMMTG-CQSZACIVSA-N 1 3 279.428 1.437 20 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/nfs/dbraw/zinc/61/09/84/930610984.db2.gz YAYDOUOJKUPZEE-VXGBXAGGSA-N 1 3 278.400 1.710 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854779 937477523 /nfs/dbraw/zinc/47/75/23/937477523.db2.gz WHCGSXYGKSCYHQ-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854779 937477525 /nfs/dbraw/zinc/47/75/25/937477525.db2.gz WHCGSXYGKSCYHQ-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043159 931140574 /nfs/dbraw/zinc/14/05/74/931140574.db2.gz MLVTXAFWKPNNAB-INIZCTEOSA-N 1 3 292.427 1.166 20 30 CDEDHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274043159 931140577 /nfs/dbraw/zinc/14/05/77/931140577.db2.gz MLVTXAFWKPNNAB-INIZCTEOSA-N 1 3 292.427 1.166 20 30 CDEDHO C=CCC[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001274731782 931562087 /nfs/dbraw/zinc/56/20/87/931562087.db2.gz HMQXIZMCTQWKGP-ZDUSSCGKSA-N 1 3 267.417 1.531 20 30 CDEDHO C[NH+](C)CCN1CCC2(CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001275828926 932071634 /nfs/dbraw/zinc/07/16/34/932071634.db2.gz MOCMNNUQEJTBJI-UHFFFAOYSA-N 1 3 298.434 1.628 20 30 CDEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247298 932118957 /nfs/dbraw/zinc/11/89/57/932118957.db2.gz LARDJQNZXUJDRP-GDBMZVCRSA-N 1 3 293.455 1.615 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC)CC1 ZINC001146608961 932271324 /nfs/dbraw/zinc/27/13/24/932271324.db2.gz BKYBGEQBRYWVLN-UONOGXRCSA-N 1 3 279.428 1.224 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148543015 932735370 /nfs/dbraw/zinc/73/53/70/932735370.db2.gz TYEQAQDIGMVOAA-UHFFFAOYSA-N 1 3 265.401 1.049 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148543015 932735376 /nfs/dbraw/zinc/73/53/76/932735376.db2.gz TYEQAQDIGMVOAA-UHFFFAOYSA-N 1 3 265.401 1.049 20 30 CDEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737695 932763780 /nfs/dbraw/zinc/76/37/80/932763780.db2.gz HRYOJGDWECFWOD-INMHGKMJSA-N 1 3 291.439 1.293 20 30 CDEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737695 932763784 /nfs/dbraw/zinc/76/37/84/932763784.db2.gz HRYOJGDWECFWOD-INMHGKMJSA-N 1 3 291.439 1.293 20 30 CDEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN(C)CCC)C2)C1 ZINC001122106669 937905660 /nfs/dbraw/zinc/90/56/60/937905660.db2.gz NCXOFFWRQCOOFH-UHFFFAOYSA-N 1 3 293.455 1.921 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465912 938370569 /nfs/dbraw/zinc/37/05/69/938370569.db2.gz HRQFJNRGBJQTOW-CQSZACIVSA-N 1 3 267.417 1.178 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158472888 938628585 /nfs/dbraw/zinc/62/85/85/938628585.db2.gz FTPNZUATRRRCKZ-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001158472888 938628588 /nfs/dbraw/zinc/62/85/88/938628588.db2.gz FTPNZUATRRRCKZ-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628926 938742392 /nfs/dbraw/zinc/74/23/92/938742392.db2.gz RCOLRNABJPBCGI-OAHLLOKOSA-N 1 3 277.412 1.405 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628926 938742396 /nfs/dbraw/zinc/74/23/96/938742396.db2.gz RCOLRNABJPBCGI-OAHLLOKOSA-N 1 3 277.412 1.405 20 30 CDEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160479188 938790579 /nfs/dbraw/zinc/79/05/79/938790579.db2.gz SEZBSAPCBYQCNF-MRXNPFEDSA-N 1 3 291.439 1.488 20 30 CDEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001160479188 938790580 /nfs/dbraw/zinc/79/05/80/938790580.db2.gz SEZBSAPCBYQCNF-MRXNPFEDSA-N 1 3 291.439 1.488 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210314696 940682568 /nfs/dbraw/zinc/68/25/68/940682568.db2.gz JGQQYQQFWXWEGO-UKRRQHHQSA-N 1 3 264.369 1.017 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210313969 940682670 /nfs/dbraw/zinc/68/26/70/940682670.db2.gz CSTFFMXNEHAGEI-DZGCQCFKSA-N 1 3 266.385 1.570 20 30 CDEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001210316167 940682677 /nfs/dbraw/zinc/68/26/77/940682677.db2.gz VMICLZNZWSQSNB-GDBMZVCRSA-N 1 3 296.411 1.196 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847844 940840842 /nfs/dbraw/zinc/84/08/42/940840842.db2.gz VFBBXOFFCJEPSM-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO Cc1nc(C#N)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)o1 ZINC001218649520 941251809 /nfs/dbraw/zinc/25/18/09/941251809.db2.gz CYLMQWUHHRQBAA-NSHDSACASA-N 1 3 293.371 1.289 20 30 CDEDHO N#C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001219557454 941355281 /nfs/dbraw/zinc/35/52/81/941355281.db2.gz AKBVGAJJWMYYQL-LSDHHAIUSA-N 1 3 298.390 1.242 20 30 CDEDHO N#C[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001219557454 941355283 /nfs/dbraw/zinc/35/52/83/941355283.db2.gz AKBVGAJJWMYYQL-LSDHHAIUSA-N 1 3 298.390 1.242 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223465454 941679294 /nfs/dbraw/zinc/67/92/94/941679294.db2.gz HQQDFFAZNHMLCT-OAHLLOKOSA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)CN(C)CCC)CC1 ZINC001225252141 941833820 /nfs/dbraw/zinc/83/38/20/941833820.db2.gz MZBHVJRCYNHCAG-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C[NH+](C)CCN1CCO[C@@]2(CCCN(CCCC#N)C2)C1 ZINC001277944923 944154517 /nfs/dbraw/zinc/15/45/17/944154517.db2.gz GGPZURPZBPKIHQ-MRXNPFEDSA-N 1 3 294.443 1.019 20 30 CDEDHO N#Cc1cc(-c2ncnc3c2CCNC3)cc(C2C[NH2+]C2)c1 ZINC001240337826 945794537 /nfs/dbraw/zinc/79/45/37/945794537.db2.gz UWAKJVPPWLNAQQ-UHFFFAOYSA-N 1 3 291.358 1.348 20 30 CDEDHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)CN(C)C ZINC001262565836 946714990 /nfs/dbraw/zinc/71/49/90/946714990.db2.gz XFMCZQKAXBGAHU-CYBMUJFWSA-N 1 3 288.395 1.674 20 30 CDEDHO C[C@H](CNCCC(=O)Nc1cccc(C#N)c1)C[NH+](C)C ZINC001262565836 946714997 /nfs/dbraw/zinc/71/49/97/946714997.db2.gz XFMCZQKAXBGAHU-CYBMUJFWSA-N 1 3 288.395 1.674 20 30 CDEDHO CC[C@H](CC#N)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681591 948393438 /nfs/dbraw/zinc/39/34/38/948393438.db2.gz YADMDMRAFFSAII-WLYUNCDWSA-N 1 3 265.401 1.912 20 30 CDEDHO CCOC(=O)CC1(N)CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256964935 948465258 /nfs/dbraw/zinc/46/52/58/948465258.db2.gz IKYSCYUXKCSSPK-UHFFFAOYSA-N 1 3 293.411 1.815 20 30 CDEDHO CCOC(=O)CC1([NH3+])CCN(C2CCC(C#N)CC2)CC1 ZINC001256964935 948465260 /nfs/dbraw/zinc/46/52/60/948465260.db2.gz IKYSCYUXKCSSPK-UHFFFAOYSA-N 1 3 293.411 1.815 20 30 CDEDHO C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001251854809 950875924 /nfs/dbraw/zinc/87/59/24/950875924.db2.gz MIDYLILUANRCRS-BBWFWOEESA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001251854809 950875942 /nfs/dbraw/zinc/87/59/42/950875942.db2.gz MIDYLILUANRCRS-BBWFWOEESA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001251854809 950875960 /nfs/dbraw/zinc/87/59/60/950875960.db2.gz MIDYLILUANRCRS-BBWFWOEESA-N 1 3 294.439 1.336 20 30 CDEDHO C#CCOC[C@@H](O)CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001251854809 950875983 /nfs/dbraw/zinc/87/59/83/950875983.db2.gz MIDYLILUANRCRS-BBWFWOEESA-N 1 3 294.439 1.336 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](Cc1ccccc1)[NH2+]C ZINC001341027693 963242815 /nfs/dbraw/zinc/24/28/15/963242815.db2.gz KGJWQOBINGKUBD-CVEARBPZSA-N 1 3 289.423 1.617 20 30 CDEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001100319178 968005903 /nfs/dbraw/zinc/00/59/03/968005903.db2.gz APLHWSAOVXABCN-GPANFISMSA-N 1 3 291.439 1.367 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CCCO1 ZINC001200858485 969031931 /nfs/dbraw/zinc/03/19/31/969031931.db2.gz GIMAUBLGBHUAAC-CQSZACIVSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC001357325725 969570318 /nfs/dbraw/zinc/57/03/18/969570318.db2.gz BRCWXSMCQXNBGV-AWEZNQCLSA-N 1 3 269.433 1.905 20 30 CDEDHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001495591981 972547263 /nfs/dbraw/zinc/54/72/63/972547263.db2.gz YNMZVEMXOZVADU-OAHLLOKOSA-N 1 3 279.428 1.629 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410294 1163277610 /nfs/dbraw/zinc/27/76/10/1163277610.db2.gz LHJDVCDISJJKNR-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410294 1163277616 /nfs/dbraw/zinc/27/76/16/1163277616.db2.gz LHJDVCDISJJKNR-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133347362 1163649751 /nfs/dbraw/zinc/64/97/51/1163649751.db2.gz WIJPIGCBJWOEHB-HOTGVXAUSA-N 1 3 293.455 1.424 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255983 342683197 /nfs/dbraw/zinc/68/31/97/342683197.db2.gz VLFXTXUALYBUTI-KFWWJZLASA-N 1 3 292.427 1.246 20 30 CDEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000611391504 346775961 /nfs/dbraw/zinc/77/59/61/346775961.db2.gz JAZDEWDHJXCZMD-FUHWJXTLSA-N 1 3 299.418 1.982 20 30 CDEDHO N#Cc1cccc(CNCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000602554260 350125123 /nfs/dbraw/zinc/12/51/23/350125123.db2.gz ZRPGMEGLUKPQQV-MRXNPFEDSA-N 1 3 288.395 1.280 20 30 CDEDHO N#Cc1cccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000602554260 350125128 /nfs/dbraw/zinc/12/51/28/350125128.db2.gz ZRPGMEGLUKPQQV-MRXNPFEDSA-N 1 3 288.395 1.280 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1 ZINC000264115250 362970414 /nfs/dbraw/zinc/97/04/14/362970414.db2.gz PPQBPUMVPCWBQZ-CQSZACIVSA-N 1 3 290.411 1.584 20 30 CDEDHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661231284 1172357021 /nfs/dbraw/zinc/35/70/21/1172357021.db2.gz HQZVIAOIUCACQV-JKSUJKDBSA-N 1 3 295.471 1.929 20 30 CDEDHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001661231284 1172357029 /nfs/dbraw/zinc/35/70/29/1172357029.db2.gz HQZVIAOIUCACQV-JKSUJKDBSA-N 1 3 295.471 1.929 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417534739 377877913 /nfs/dbraw/zinc/87/79/13/377877913.db2.gz WAPNTGBNWXMEKI-UKRRQHHQSA-N 1 3 294.443 1.548 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417545633 377933959 /nfs/dbraw/zinc/93/39/59/377933959.db2.gz YFWWMNFNZIAKDA-UHFFFAOYSA-N 1 3 296.459 1.653 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417542394 377938255 /nfs/dbraw/zinc/93/82/55/377938255.db2.gz SWIKONFPXWPCNU-AWEZNQCLSA-N 1 3 280.416 1.063 20 30 CDEDHO C=C[C@@H](CO)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873332 378349980 /nfs/dbraw/zinc/34/99/80/378349980.db2.gz RPKWUOOTQMEBQS-HIFRSBDPSA-N 1 3 278.396 1.825 20 30 CDEDHO CC(C#N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000344619429 533113255 /nfs/dbraw/zinc/11/32/55/533113255.db2.gz QSICVQMPPRJUPD-WCQYABFASA-N 1 3 251.374 1.773 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)cc1 ZINC000104153501 390484986 /nfs/dbraw/zinc/48/49/86/390484986.db2.gz HZKFUMYYWAJACL-HNNXBMFYSA-N 1 3 292.402 1.757 20 30 CDEDHO C[NH+]=C(NCc1ccoc1)N1CC[C@H](N2CCCCC2)C1 ZINC000263126677 391105694 /nfs/dbraw/zinc/10/56/94/391105694.db2.gz FRYHJPNKBMCASN-HNNXBMFYSA-N 1 3 290.411 1.915 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000372424077 391851425 /nfs/dbraw/zinc/85/14/25/391851425.db2.gz BQAZARSJCPKQKV-AWEZNQCLSA-N 1 3 265.401 1.285 20 30 CDEDHO C=C(C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000334363635 392109181 /nfs/dbraw/zinc/10/91/81/392109181.db2.gz LWBFPSINAKAPPS-GJZGRUSLSA-N 1 3 251.418 1.520 20 30 CDEDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000619672663 393178095 /nfs/dbraw/zinc/17/80/95/393178095.db2.gz MENWKZDTKUGYKQ-ILXRZTDVSA-N 1 3 276.428 1.437 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000347062849 226010186 /nfs/dbraw/zinc/01/01/86/226010186.db2.gz HAPIZPDKJWFHGL-LBPRGKRZSA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000347062849 226010190 /nfs/dbraw/zinc/01/01/90/226010190.db2.gz HAPIZPDKJWFHGL-LBPRGKRZSA-N 1 3 251.374 1.917 20 30 CDEDHO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759127 263039741 /nfs/dbraw/zinc/03/97/41/263039741.db2.gz NUZQGEHWVZRQGK-KBPBESRZSA-N 1 3 265.401 1.224 20 30 CDEDHO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759127 263039742 /nfs/dbraw/zinc/03/97/42/263039742.db2.gz NUZQGEHWVZRQGK-KBPBESRZSA-N 1 3 265.401 1.224 20 30 CDEDHO C[C@H]1CN(CCCNC(=[NH2+])Nc2ccccc2)CCCO1 ZINC000277294519 263040588 /nfs/dbraw/zinc/04/05/88/263040588.db2.gz KSCTXTASISDRSG-AWEZNQCLSA-N 1 3 290.411 1.914 20 30 CDEDHO COCCN(C)CCCNC(=[NH2+])N1CCC(C)CC1 ZINC000171145649 329074944 /nfs/dbraw/zinc/07/49/44/329074944.db2.gz FJZVFWCCTIKHJD-UHFFFAOYSA-N 1 3 270.421 1.001 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCCC1 ZINC000262552521 330021175 /nfs/dbraw/zinc/02/11/75/330021175.db2.gz ZEYKHJCZKOHMBF-CYBMUJFWSA-N 1 3 266.433 1.955 20 30 CDEDHO C=CCN1CCC(NC(NCC2(O)CCCC2)=[NH+]C)CC1 ZINC000262774617 330030674 /nfs/dbraw/zinc/03/06/74/330030674.db2.gz IWOPPDYEHIGXNX-UHFFFAOYSA-N 1 3 294.443 1.107 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000424136142 330272338 /nfs/dbraw/zinc/27/23/38/330272338.db2.gz ABSBAEZMJAMRQW-HUUCEWRRSA-N 1 3 292.427 1.484 20 30 CDEDHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424144515 330289956 /nfs/dbraw/zinc/28/99/56/330289956.db2.gz LKHCUVAPOUOIRW-GJZGRUSLSA-N 1 3 292.427 1.198 20 30 CDEDHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424144515 330289957 /nfs/dbraw/zinc/28/99/57/330289957.db2.gz LKHCUVAPOUOIRW-GJZGRUSLSA-N 1 3 292.427 1.198 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC)CC1 ZINC000491494942 332222512 /nfs/dbraw/zinc/22/25/12/332222512.db2.gz GANGAYBYUBKZTA-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCC)CC1 ZINC000491494942 332222513 /nfs/dbraw/zinc/22/25/13/332222513.db2.gz GANGAYBYUBKZTA-OAHLLOKOSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(CN(C)C)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000764505888 575916733 /nfs/dbraw/zinc/91/67/33/575916733.db2.gz IHDYLHULWSPFPK-UHFFFAOYSA-N 1 3 267.417 1.485 20 30 CDEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144809 613544684 /nfs/dbraw/zinc/54/46/84/613544684.db2.gz UKIQVEDUSYKXQL-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144809 613544686 /nfs/dbraw/zinc/54/46/86/613544686.db2.gz UKIQVEDUSYKXQL-JKSUJKDBSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982120244 613677652 /nfs/dbraw/zinc/67/76/52/613677652.db2.gz QATQZQSHVNGIQU-UHFFFAOYSA-N 1 3 289.423 1.193 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942556367 613779019 /nfs/dbraw/zinc/77/90/19/613779019.db2.gz ZWOQBOKVSYTZJX-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC000942556367 613779021 /nfs/dbraw/zinc/77/90/21/613779021.db2.gz ZWOQBOKVSYTZJX-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000965065067 613857868 /nfs/dbraw/zinc/85/78/68/613857868.db2.gz UPQGFUZETFAPCY-HOUHCIJLSA-N 1 3 291.439 1.674 20 30 CDEDHO C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000963157591 613859679 /nfs/dbraw/zinc/85/96/79/613859679.db2.gz OTVKBSHZGUXEKL-YMAMQOFZSA-N 1 3 279.428 1.626 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000911765832 629482441 /nfs/dbraw/zinc/48/24/41/629482441.db2.gz ASUIWZOJKQFDNI-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911833608 629563930 /nfs/dbraw/zinc/56/39/30/629563930.db2.gz YUJUVNWQTKYJSE-TZMCWYRMSA-N 1 3 255.406 1.550 20 30 CDEDHO C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001567752108 1168951447 /nfs/dbraw/zinc/95/14/47/1168951447.db2.gz FSEZTFYMSOWDFU-HNNXBMFYSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CC[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001567752108 1168951466 /nfs/dbraw/zinc/95/14/66/1168951466.db2.gz FSEZTFYMSOWDFU-HNNXBMFYSA-N 1 3 281.444 1.683 20 30 CDEDHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001732251293 1182884785 /nfs/dbraw/zinc/88/47/85/1182884785.db2.gz LCFHTPBWHJBWPF-UKRRQHHQSA-N 1 3 267.417 1.387 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001754602876 1185679515 /nfs/dbraw/zinc/67/95/15/1185679515.db2.gz CLKQYVPDJBZPBF-GJZGRUSLSA-N 1 3 281.444 1.872 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587497 818304154 /nfs/dbraw/zinc/30/41/54/818304154.db2.gz CTRMNYRSJQCDOD-INIZCTEOSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041678640 818674736 /nfs/dbraw/zinc/67/47/36/818674736.db2.gz JPBHWFUFZQRXIO-NVXWUHKLSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041678640 818674742 /nfs/dbraw/zinc/67/47/42/818674742.db2.gz JPBHWFUFZQRXIO-NVXWUHKLSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033661061 819220759 /nfs/dbraw/zinc/22/07/59/819220759.db2.gz KLQBCGZRKQCMBH-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033661061 819220767 /nfs/dbraw/zinc/22/07/67/819220767.db2.gz KLQBCGZRKQCMBH-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCC#N)cc1 ZINC000817965905 819281451 /nfs/dbraw/zinc/28/14/51/819281451.db2.gz WWKQOFUCEAIRCT-NHYWBVRUSA-N 1 3 259.353 1.977 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830472 819815882 /nfs/dbraw/zinc/81/58/82/819815882.db2.gz VXYBVPQGKZWRRB-HIFRSBDPSA-N 1 3 288.395 1.451 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001036830472 819815886 /nfs/dbraw/zinc/81/58/86/819815886.db2.gz VXYBVPQGKZWRRB-HIFRSBDPSA-N 1 3 288.395 1.451 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038622270 819988817 /nfs/dbraw/zinc/98/88/17/819988817.db2.gz IPQNYPFAQVHYKE-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038622270 819988848 /nfs/dbraw/zinc/98/88/48/819988848.db2.gz IPQNYPFAQVHYKE-HZPDHXFCSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026231 820006976 /nfs/dbraw/zinc/00/69/76/820006976.db2.gz BCMBOWBKOCRTMO-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026231 820006988 /nfs/dbraw/zinc/00/69/88/820006988.db2.gz BCMBOWBKOCRTMO-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001000221150 820098799 /nfs/dbraw/zinc/09/87/99/820098799.db2.gz VZTNAIJPGQCMLE-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO CCCN1CCC[C@H]1CNC(NCc1ccco1)=[NH+]C ZINC000849028049 820192267 /nfs/dbraw/zinc/19/22/67/820192267.db2.gz ZTYMWQQAALTIPG-ZDUSSCGKSA-N 1 3 278.400 1.819 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001028333263 820898045 /nfs/dbraw/zinc/89/80/45/820898045.db2.gz IAVQLKCKFYOYBP-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001028333263 820898047 /nfs/dbraw/zinc/89/80/47/820898047.db2.gz IAVQLKCKFYOYBP-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834337 821022183 /nfs/dbraw/zinc/02/21/83/821022183.db2.gz SZLZGUXNPPRWCA-HNNXBMFYSA-N 1 3 277.412 1.095 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001037937161 821265775 /nfs/dbraw/zinc/26/57/75/821265775.db2.gz YIVHOGGRNKMGGO-GXTWGEPZSA-N 1 3 276.384 1.355 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027442527 821397127 /nfs/dbraw/zinc/39/71/27/821397127.db2.gz WVUVHXJWTXAZMP-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027442527 821397130 /nfs/dbraw/zinc/39/71/30/821397130.db2.gz WVUVHXJWTXAZMP-MRXNPFEDSA-N 1 3 293.455 1.970 20 30 CDEDHO CC#CCN1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028657213 821845747 /nfs/dbraw/zinc/84/57/47/821845747.db2.gz WYXYYMQNCDZEHC-HNNXBMFYSA-N 1 3 289.423 1.076 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999492723 822147906 /nfs/dbraw/zinc/14/79/06/822147906.db2.gz CCNSUJOPLNECTN-QWHCGFSZSA-N 1 3 253.390 1.093 20 30 CDEDHO C=C(C)CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008406477 822390261 /nfs/dbraw/zinc/39/02/61/822390261.db2.gz OCUSNQWSALPQBA-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000261985384 822521338 /nfs/dbraw/zinc/52/13/38/822521338.db2.gz JPCBLBUNXZKUIN-KGLIPLIRSA-N 1 3 264.417 1.731 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281857 913786023 /nfs/dbraw/zinc/78/60/23/913786023.db2.gz HUUAIDAIHLDZOX-OAGGEKHMSA-N 1 3 295.471 1.833 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001208260911 894158811 /nfs/dbraw/zinc/15/88/11/894158811.db2.gz HLZPZTUBAJKSTG-LSDHHAIUSA-N 1 3 297.418 1.270 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106664958 914116628 /nfs/dbraw/zinc/11/66/28/914116628.db2.gz DCGNUTKVMTYERN-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482236259 904023965 /nfs/dbraw/zinc/02/39/65/904023965.db2.gz CIKKPXQKBTVRRA-ZDUSSCGKSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001482236259 904023983 /nfs/dbraw/zinc/02/39/83/904023983.db2.gz CIKKPXQKBTVRRA-ZDUSSCGKSA-N 1 3 299.846 1.709 20 30 CDEDHO C#CC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001088381748 907065680 /nfs/dbraw/zinc/06/56/80/907065680.db2.gz LJZHAALYTONQJG-HOTGVXAUSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088619964 908631238 /nfs/dbraw/zinc/63/12/38/908631238.db2.gz MUGGQFKKFQBFRF-PMPSAXMXSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088619964 908631242 /nfs/dbraw/zinc/63/12/42/908631242.db2.gz MUGGQFKKFQBFRF-PMPSAXMXSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402917 909461748 /nfs/dbraw/zinc/46/17/48/909461748.db2.gz SBQLTEBJXMLEEY-MRXNPFEDSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CCOCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119262 911299141 /nfs/dbraw/zinc/29/91/41/911299141.db2.gz XIGHFSSCNOGJOK-MUJYYYPQSA-N 1 3 280.412 1.258 20 30 CDEDHO C#CCOCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119262 911299145 /nfs/dbraw/zinc/29/91/45/911299145.db2.gz XIGHFSSCNOGJOK-MUJYYYPQSA-N 1 3 280.412 1.258 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCN(CC[NH3+])CC1 ZINC001172294824 911593794 /nfs/dbraw/zinc/59/37/94/911593794.db2.gz NJVWENOSMVNGMR-CQSZACIVSA-N 1 3 272.396 1.066 20 30 CDEDHO C[C@H](CCCC#N)N1CCN(CC[NH+](C)C)CC1 ZINC001172491239 911727524 /nfs/dbraw/zinc/72/75/24/911727524.db2.gz CVTICBMNHPFDQT-CQSZACIVSA-N 1 3 252.406 1.248 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499543 915863214 /nfs/dbraw/zinc/86/32/14/915863214.db2.gz VLMIZQJPNAAJNK-OAHLLOKOSA-N 1 3 281.444 1.472 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097774637 936372343 /nfs/dbraw/zinc/37/23/43/936372343.db2.gz ATMWTZNLDIQNKX-OAGGEKHMSA-N 1 3 291.439 1.626 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941700 917483930 /nfs/dbraw/zinc/48/39/30/917483930.db2.gz LTBQVQXGXVBMII-RHSMWYFYSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182615028 918020677 /nfs/dbraw/zinc/02/06/77/918020677.db2.gz UQQRXRQVTXWZMG-ZMSDIMECSA-N 1 3 291.439 1.036 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996301157 918244605 /nfs/dbraw/zinc/24/46/05/918244605.db2.gz QWJQKABNTKZPID-GJZGRUSLSA-N 1 3 293.455 1.873 20 30 CDEDHO N#CC(Cc1ccc(O)cc1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001183615329 918592120 /nfs/dbraw/zinc/59/21/20/918592120.db2.gz CPYNANYBEHHQFR-ZDUSSCGKSA-N 1 3 296.330 1.155 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996993846 918784573 /nfs/dbraw/zinc/78/45/73/918784573.db2.gz GFLNZRKFYFMKQC-CQSZACIVSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620811 936584924 /nfs/dbraw/zinc/58/49/24/936584924.db2.gz UHEZFYVRGUGASO-HNNXBMFYSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998796374 919629332 /nfs/dbraw/zinc/62/93/32/919629332.db2.gz MZKCIJYQKRPBNL-BLYZHGLHSA-N 1 3 299.846 1.658 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998796374 919629336 /nfs/dbraw/zinc/62/93/36/919629336.db2.gz MZKCIJYQKRPBNL-BLYZHGLHSA-N 1 3 299.846 1.658 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185548273 919648741 /nfs/dbraw/zinc/64/87/41/919648741.db2.gz KZTXWHHZEGDOCZ-HOTGVXAUSA-N 1 3 295.471 1.979 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999153230 919679810 /nfs/dbraw/zinc/67/98/10/919679810.db2.gz NOFJHTKJEXJWOR-HNNXBMFYSA-N 1 3 291.439 1.465 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185660141 919697652 /nfs/dbraw/zinc/69/76/52/919697652.db2.gz YOVCHAGAMKDOQF-ZIAGYGMSSA-N 1 3 265.401 1.095 20 30 CDEDHO C#CCCC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273541433 920558072 /nfs/dbraw/zinc/55/80/72/920558072.db2.gz AWGGOJQDCILAHT-UHFFFAOYSA-N 1 3 291.439 1.276 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190435842 922011181 /nfs/dbraw/zinc/01/11/81/922011181.db2.gz KCYPCMCJYDVPCM-CABCVRRESA-N 1 3 299.434 1.775 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001190435842 922011193 /nfs/dbraw/zinc/01/11/93/922011193.db2.gz KCYPCMCJYDVPCM-CABCVRRESA-N 1 3 299.434 1.775 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342673 923013788 /nfs/dbraw/zinc/01/37/88/923013788.db2.gz JOLQAHLRNDXYPV-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001192342673 923013802 /nfs/dbraw/zinc/01/38/02/923013802.db2.gz JOLQAHLRNDXYPV-JKSUJKDBSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026820 923419340 /nfs/dbraw/zinc/41/93/40/923419340.db2.gz MHXUPCPGIJJLGV-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026820 923419345 /nfs/dbraw/zinc/41/93/45/923419345.db2.gz MHXUPCPGIJJLGV-MRXNPFEDSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310868 924534637 /nfs/dbraw/zinc/53/46/37/924534637.db2.gz HLSATBCWTTWZDI-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310868 924534644 /nfs/dbraw/zinc/53/46/44/924534644.db2.gz HLSATBCWTTWZDI-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001082507262 924952001 /nfs/dbraw/zinc/95/20/01/924952001.db2.gz JJDFAUJIMZZQCS-BZUAXINKSA-N 1 3 293.455 1.872 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001082724163 924989134 /nfs/dbraw/zinc/98/91/34/924989134.db2.gz LSRRSQVXTKCTLT-MGPQQGTHSA-N 1 3 267.417 1.195 20 30 CDEDHO C=CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687253 925250829 /nfs/dbraw/zinc/25/08/29/925250829.db2.gz LBXLAMVDXFFUDY-OAHLLOKOSA-N 1 3 285.407 1.481 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475481 937059031 /nfs/dbraw/zinc/05/90/31/937059031.db2.gz QMHNVARYCSTDNS-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475481 937059033 /nfs/dbraw/zinc/05/90/33/937059033.db2.gz QMHNVARYCSTDNS-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743597 930394617 /nfs/dbraw/zinc/39/46/17/930394617.db2.gz MTAJNABNAFSXCB-QWHCGFSZSA-N 1 3 289.851 1.954 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147358685 932481924 /nfs/dbraw/zinc/48/19/24/932481924.db2.gz ILHUCEDQFQPJMA-OAHLLOKOSA-N 1 3 279.428 1.370 20 30 CDEDHO CC#CCNCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147358685 932481930 /nfs/dbraw/zinc/48/19/30/932481930.db2.gz ILHUCEDQFQPJMA-OAHLLOKOSA-N 1 3 279.428 1.370 20 30 CDEDHO C=CC[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839488 932796297 /nfs/dbraw/zinc/79/62/97/932796297.db2.gz PKZPWECRTOMAOZ-UHFFFAOYSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839488 932796302 /nfs/dbraw/zinc/79/63/02/932796302.db2.gz PKZPWECRTOMAOZ-UHFFFAOYSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091782977 932884715 /nfs/dbraw/zinc/88/47/15/932884715.db2.gz ONDPIOVFRIFVKE-INMHGKMJSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091782977 932884719 /nfs/dbraw/zinc/88/47/19/932884719.db2.gz ONDPIOVFRIFVKE-INMHGKMJSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001120062867 937777752 /nfs/dbraw/zinc/77/77/52/937777752.db2.gz WEDZILHCRFJGDX-UHFFFAOYSA-N 1 3 290.411 1.855 20 30 CDEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001037860064 935305250 /nfs/dbraw/zinc/30/52/50/935305250.db2.gz MRIDPZSBIQEYDJ-ZBFHGGJFSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121798943 937883167 /nfs/dbraw/zinc/88/31/67/937883167.db2.gz UZXJAYONAUAJEF-LETWWHAPSA-N 1 3 291.439 1.367 20 30 CDEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](F)CN(CC)CC ZINC001159154829 938706308 /nfs/dbraw/zinc/70/63/08/938706308.db2.gz CJOVKSFRZUIQRN-GFCCVEGCSA-N 1 3 293.814 1.515 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160407046 938785306 /nfs/dbraw/zinc/78/53/06/938785306.db2.gz VGUDAVJYAUTGTN-INIZCTEOSA-N 1 3 291.439 1.344 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223454 939229417 /nfs/dbraw/zinc/22/94/17/939229417.db2.gz ISBKFLQVKIGKGO-AWEZNQCLSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210315982 940682702 /nfs/dbraw/zinc/68/27/02/940682702.db2.gz STYCRBRPUXRKAB-ZBFHGGJFSA-N 1 3 280.412 1.960 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215994060 940914881 /nfs/dbraw/zinc/91/48/81/940914881.db2.gz ODXGJUXTSLXSMO-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO N#Cc1c[nH]c2cc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)ccc12 ZINC001219044334 941302665 /nfs/dbraw/zinc/30/26/65/941302665.db2.gz BTKXDLTUNYTRFK-HNNXBMFYSA-N 1 3 297.362 1.305 20 30 CDEDHO C#CCCCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276979144 941766742 /nfs/dbraw/zinc/76/67/42/941766742.db2.gz WMQOHYJWHZHJGG-PBHICJAKSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CCC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558859 941770073 /nfs/dbraw/zinc/77/00/73/941770073.db2.gz JOVDXQJSAMORRH-OAHLLOKOSA-N 1 3 293.455 1.733 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229868207 942545370 /nfs/dbraw/zinc/54/53/70/942545370.db2.gz CVUUBQDWJVYXKR-HUUCEWRRSA-N 1 3 279.428 1.369 20 30 CDEDHO N#Cc1cccc(C[N@@H+]2CCC3OCCCC3C2)n1 ZINC001232921738 943434155 /nfs/dbraw/zinc/43/41/55/943434155.db2.gz GLRXFZWVTQYEDQ-DOMZBBRYSA-N 1 3 257.337 1.954 20 30 CDEDHO N#Cc1cccc(C[N@H+]2CCC3OCCCC3C2)n1 ZINC001232921738 943434158 /nfs/dbraw/zinc/43/41/58/943434158.db2.gz GLRXFZWVTQYEDQ-DOMZBBRYSA-N 1 3 257.337 1.954 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001263095179 943741715 /nfs/dbraw/zinc/74/17/15/943741715.db2.gz FYQYHMPSXSIEGN-ZNMIVQPWSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001263095179 943741719 /nfs/dbraw/zinc/74/17/19/943741719.db2.gz FYQYHMPSXSIEGN-ZNMIVQPWSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCN1CCC[C@@H]([NH2+][C@@H]2CCCN(C)CC2)C1=O ZINC001254510400 947473869 /nfs/dbraw/zinc/47/38/69/947473869.db2.gz VLFSIXPTUQYTFH-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCNCC1)CC2 ZINC001246735546 948424031 /nfs/dbraw/zinc/42/40/31/948424031.db2.gz UHHACYWNFGHYKK-QGZVFWFLSA-N 1 3 291.439 1.772 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCNCC1)CC2 ZINC001246735546 948424037 /nfs/dbraw/zinc/42/40/37/948424037.db2.gz UHHACYWNFGHYKK-QGZVFWFLSA-N 1 3 291.439 1.772 20 30 CDEDHO C=CCN1C(=O)CC[C@@]12CCCN(C1CC[NH2+]CC1)CC2 ZINC001246735546 948424041 /nfs/dbraw/zinc/42/40/41/948424041.db2.gz UHHACYWNFGHYKK-QGZVFWFLSA-N 1 3 291.439 1.772 20 30 CDEDHO C=CCOC[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001252481681 951340220 /nfs/dbraw/zinc/34/02/20/951340220.db2.gz FQXHHONUVISVST-HNNXBMFYSA-N 1 3 270.417 1.262 20 30 CDEDHO C=CCOC[C@H](O)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001252490603 951360975 /nfs/dbraw/zinc/36/09/75/951360975.db2.gz JRCPTUCSRMIYQG-MRXNPFEDSA-N 1 3 282.428 1.404 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001341677725 963508730 /nfs/dbraw/zinc/50/87/30/963508730.db2.gz RKZKOWSDXRMARV-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001341677725 963508734 /nfs/dbraw/zinc/50/87/34/963508734.db2.gz RKZKOWSDXRMARV-QWHCGFSZSA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001351988167 967045257 /nfs/dbraw/zinc/04/52/57/967045257.db2.gz WJICOZNFULGMSY-OAHLLOKOSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001351988167 967045267 /nfs/dbraw/zinc/04/52/67/967045267.db2.gz WJICOZNFULGMSY-OAHLLOKOSA-N 1 3 294.443 1.372 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405743 968258844 /nfs/dbraw/zinc/25/88/44/968258844.db2.gz LDFTVPRJSXLAAT-UHFFFAOYSA-N 1 3 265.401 1.141 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100456781 968406470 /nfs/dbraw/zinc/40/64/70/968406470.db2.gz BHNRDPFZNJRGSU-UHFFFAOYSA-N 1 3 281.444 1.777 20 30 CDEDHO C#CCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265581 1163219651 /nfs/dbraw/zinc/21/96/51/1163219651.db2.gz PBRIMPZGLWRRDG-GJZGRUSLSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132411252 1163278350 /nfs/dbraw/zinc/27/83/50/1163278350.db2.gz XAWAUZGASZVSOH-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132411252 1163278355 /nfs/dbraw/zinc/27/83/55/1163278355.db2.gz XAWAUZGASZVSOH-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133134371 1163579865 /nfs/dbraw/zinc/57/98/65/1163579865.db2.gz DGGWLVDAZHDTTN-KGLIPLIRSA-N 1 3 288.395 1.050 20 30 CDEDHO C[C@@H]1CC2(CN1Cc1cc(C#N)ccn1)CC[NH2+]CC2 ZINC001576637900 1171474967 /nfs/dbraw/zinc/47/49/67/1171474967.db2.gz KWCUWPUSKJTMKB-CYBMUJFWSA-N 1 3 270.380 1.917 20 30 CDEDHO C=CCN1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635530648 361769431 /nfs/dbraw/zinc/76/94/31/361769431.db2.gz GQIJXUMMRSTSBQ-UHFFFAOYSA-N 1 3 291.439 1.629 20 30 CDEDHO CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329733067 362029609 /nfs/dbraw/zinc/02/96/09/362029609.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329733067 362029612 /nfs/dbraw/zinc/02/96/12/362029612.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329733067 362029615 /nfs/dbraw/zinc/02/96/15/362029615.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329733067 362029618 /nfs/dbraw/zinc/02/96/18/362029618.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329733067 362029621 /nfs/dbraw/zinc/02/96/21/362029621.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 3 291.399 1.065 20 30 CDEDHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329733067 362029624 /nfs/dbraw/zinc/02/96/24/362029624.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 3 291.399 1.065 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596450 343840719 /nfs/dbraw/zinc/84/07/19/343840719.db2.gz RQPGVSJJRKFFIB-KBPBESRZSA-N 1 3 267.417 1.561 20 30 CDEDHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598596450 343840720 /nfs/dbraw/zinc/84/07/20/343840720.db2.gz RQPGVSJJRKFFIB-KBPBESRZSA-N 1 3 267.417 1.561 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000069470806 349101101 /nfs/dbraw/zinc/10/11/01/349101101.db2.gz BNPDBKJVVNMDJR-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000069470806 349101103 /nfs/dbraw/zinc/10/11/03/349101103.db2.gz BNPDBKJVVNMDJR-HNNXBMFYSA-N 1 3 291.439 1.180 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264069203 362956955 /nfs/dbraw/zinc/95/69/55/362956955.db2.gz CRPJKMJYYDNPGP-UHFFFAOYSA-N 1 3 260.385 1.729 20 30 CDEDHO C#CCN(C)CCCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000491770782 357489874 /nfs/dbraw/zinc/48/98/74/357489874.db2.gz NAMYACNIGXAAPM-UHFFFAOYSA-N 1 3 296.459 1.360 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000277496701 359562982 /nfs/dbraw/zinc/56/29/82/359562982.db2.gz OLPVJWVPVJKEMC-GJZGRUSLSA-N 1 3 281.444 1.929 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000178768900 189144572 /nfs/dbraw/zinc/14/45/72/189144572.db2.gz UQFWBBSGLJKXFO-MRXNPFEDSA-N 1 3 287.407 1.496 20 30 CDEDHO CNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246173652 376529081 /nfs/dbraw/zinc/52/90/81/376529081.db2.gz MRZKVRAHCQLEDS-CMPLNLGQSA-N 1 3 266.414 1.665 20 30 CDEDHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248831082 377331621 /nfs/dbraw/zinc/33/16/21/377331621.db2.gz MMEFEGZBEXABCN-HZPDHXFCSA-N 1 3 278.444 1.686 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417536296 377898601 /nfs/dbraw/zinc/89/86/01/377898601.db2.gz KCUHBJZXXGKIJE-CYBMUJFWSA-N 1 3 282.432 1.182 20 30 CDEDHO C=CCN1CCC(NC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662720705 413377342 /nfs/dbraw/zinc/37/73/42/413377342.db2.gz CLNDWFSVKDDZEW-UHFFFAOYSA-N 1 3 299.418 1.713 20 30 CDEDHO C=CCNC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313114 414634080 /nfs/dbraw/zinc/63/40/80/414634080.db2.gz JMFGNAXEBVCINH-CHWSQXEVSA-N 1 3 253.390 1.128 20 30 CDEDHO COC1CC[NH+](C2(CNC(=O)C(C)C#N)CCCC2)CC1 ZINC000347105597 226052401 /nfs/dbraw/zinc/05/24/01/226052401.db2.gz KYZAXAWSDLUNBU-ZDUSSCGKSA-N 1 3 293.411 1.686 20 30 CDEDHO C=CCOc1ccc(CNC[C@@H](C)C[NH3+])cc1OC ZINC000414892056 263102554 /nfs/dbraw/zinc/10/25/54/263102554.db2.gz WSVAIFIBJOFSHO-LBPRGKRZSA-N 1 3 264.369 1.944 20 30 CDEDHO C=CCC[C@H](O)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000129152420 264311973 /nfs/dbraw/zinc/31/19/73/264311973.db2.gz NYSAFTYERBLPQY-HNNXBMFYSA-N 1 3 270.417 1.092 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417534259 264422667 /nfs/dbraw/zinc/42/26/67/264422667.db2.gz VUYFUDPITAACGX-KGLIPLIRSA-N 1 3 294.443 1.324 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C[NH2+]C)C(C)C ZINC000269250462 330068028 /nfs/dbraw/zinc/06/80/28/330068028.db2.gz XYTQWBKDMAXAGH-HUUCEWRRSA-N 1 3 281.444 1.657 20 30 CDEDHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424136304 330272340 /nfs/dbraw/zinc/27/23/40/330272340.db2.gz AHOKYEKEHZRNCY-KGLIPLIRSA-N 1 3 280.416 1.198 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000490635173 332098041 /nfs/dbraw/zinc/09/80/41/332098041.db2.gz DTIXBHUDROBDAE-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000490635173 332098042 /nfs/dbraw/zinc/09/80/42/332098042.db2.gz DTIXBHUDROBDAE-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CC[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000491655734 332267768 /nfs/dbraw/zinc/26/77/68/332267768.db2.gz AIQVVDFNEPYJOD-UHFFFAOYSA-N 1 3 251.418 1.358 20 30 CDEDHO C#CC[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000491655734 332267770 /nfs/dbraw/zinc/26/77/70/332267770.db2.gz AIQVVDFNEPYJOD-UHFFFAOYSA-N 1 3 251.418 1.358 20 30 CDEDHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCN(Cc3ccccc3)C2)N1 ZINC000261540828 334191754 /nfs/dbraw/zinc/19/17/54/334191754.db2.gz FIBXWUXVAANKRT-HIFRSBDPSA-N 1 3 272.396 1.446 20 30 CDEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001755079443 1159520360 /nfs/dbraw/zinc/52/03/60/1159520360.db2.gz KEUYHTYSEFJUPJ-KRWDZBQOSA-N 1 3 291.439 1.276 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086364451 1161973569 /nfs/dbraw/zinc/97/35/69/1161973569.db2.gz FXBUIVHSQPMDFH-RBSFLKMASA-N 1 3 279.428 1.530 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001754683138 1185704465 /nfs/dbraw/zinc/70/44/65/1185704465.db2.gz HWTHJJQFKASHRB-MRXNPFEDSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)CN1CC[C@@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001754683138 1185704467 /nfs/dbraw/zinc/70/44/67/1185704467.db2.gz HWTHJJQFKASHRB-MRXNPFEDSA-N 1 3 281.444 1.875 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000334893158 526429885 /nfs/dbraw/zinc/42/98/85/526429885.db2.gz SKLIMQOKFIQREJ-STQMWFEESA-N 1 3 280.416 1.029 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000970786680 612965995 /nfs/dbraw/zinc/96/59/95/612965995.db2.gz ZAWBWUWQKSDMCI-MRXNPFEDSA-N 1 3 285.391 1.186 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969676807 613302047 /nfs/dbraw/zinc/30/20/47/613302047.db2.gz JBEVNPJCKDNMQR-XJKSGUPXSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000969948861 613348361 /nfs/dbraw/zinc/34/83/61/613348361.db2.gz MAPDAGSAMCMWLH-ZIAGYGMSSA-N 1 3 265.401 1.237 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969844289 613348508 /nfs/dbraw/zinc/34/85/08/613348508.db2.gz HRCHNLLEVHIJMN-ZIAGYGMSSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969145106 613686451 /nfs/dbraw/zinc/68/64/51/613686451.db2.gz YEWYKSXMXOQJDY-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969145106 613686452 /nfs/dbraw/zinc/68/64/52/613686452.db2.gz YEWYKSXMXOQJDY-CABCVRRESA-N 1 3 279.428 1.485 20 30 CDEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982561576 613823361 /nfs/dbraw/zinc/82/33/61/613823361.db2.gz VKJMVMDBFOJBTB-BHYGNILZSA-N 1 3 293.455 1.683 20 30 CDEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982561576 613823362 /nfs/dbraw/zinc/82/33/62/613823362.db2.gz VKJMVMDBFOJBTB-BHYGNILZSA-N 1 3 293.455 1.683 20 30 CDEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157702217 1162307738 /nfs/dbraw/zinc/30/77/38/1162307738.db2.gz OOZGLTHEVHZFJF-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157702217 1162307742 /nfs/dbraw/zinc/30/77/42/1162307742.db2.gz OOZGLTHEVHZFJF-CVEARBPZSA-N 1 3 291.439 1.417 20 30 CDEDHO CC#CCNCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131798947 1163056817 /nfs/dbraw/zinc/05/68/17/1163056817.db2.gz FSDRJSFPFPSYSR-UHFFFAOYSA-N 1 3 279.428 1.228 20 30 CDEDHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001671779791 1173711092 /nfs/dbraw/zinc/71/10/92/1173711092.db2.gz MRDYUNADXLOISK-NVXWUHKLSA-N 1 3 293.455 1.424 20 30 CDEDHO C=CCC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001752484725 1184870028 /nfs/dbraw/zinc/87/00/28/1184870028.db2.gz REBZLPPGMZQPKS-HIFRSBDPSA-N 1 3 279.428 1.389 20 30 CDEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001752484710 1184870734 /nfs/dbraw/zinc/87/07/34/1184870734.db2.gz QWTKVPSZMFQQIS-HOCLYGCPSA-N 1 3 293.455 1.779 20 30 CDEDHO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001752970711 1184979942 /nfs/dbraw/zinc/97/99/42/1184979942.db2.gz DUWCMDOLMGAFFY-KBPBESRZSA-N 1 3 277.412 1.121 20 30 CDEDHO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001753742437 1185325410 /nfs/dbraw/zinc/32/54/10/1185325410.db2.gz SBKMKVYJGXUEBM-JKSUJKDBSA-N 1 3 293.455 1.472 20 30 CDEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753877059 1185375564 /nfs/dbraw/zinc/37/55/64/1185375564.db2.gz YHDAYWIMRJCAHS-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCC)CC[C@@H]21 ZINC001753877059 1185375571 /nfs/dbraw/zinc/37/55/71/1185375571.db2.gz YHDAYWIMRJCAHS-HOTGVXAUSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001754802445 1185734546 /nfs/dbraw/zinc/73/45/46/1185734546.db2.gz BPHMZPUJWLZATL-JKSUJKDBSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001755348893 1185925291 /nfs/dbraw/zinc/92/52/91/1185925291.db2.gz KULMVMVMSRAPPE-HOTGVXAUSA-N 1 3 295.471 1.977 20 30 CDEDHO C=CC[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001755552619 1185987743 /nfs/dbraw/zinc/98/77/43/1185987743.db2.gz UEEOFLRBZJUOKO-CYBMUJFWSA-N 1 3 278.400 1.567 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856593 1163933321 /nfs/dbraw/zinc/93/33/21/1163933321.db2.gz KOWLCNBYMGEEAE-MRXNPFEDSA-N 1 3 299.434 1.871 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114484110 1165326031 /nfs/dbraw/zinc/32/60/31/1165326031.db2.gz RRLNUIANEIQMBS-WDNDVIMCSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114484110 1165326038 /nfs/dbraw/zinc/32/60/38/1165326038.db2.gz RRLNUIANEIQMBS-WDNDVIMCSA-N 1 3 279.428 1.339 20 30 CDEDHO C=CCC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005992854 822708364 /nfs/dbraw/zinc/70/83/64/822708364.db2.gz WGXOFSYADPGCHP-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO CN1CCN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000777401457 823971129 /nfs/dbraw/zinc/97/11/29/823971129.db2.gz OJUGCIPWDLPFHB-UHFFFAOYSA-N 1 3 298.434 1.770 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001019383594 824098825 /nfs/dbraw/zinc/09/88/25/824098825.db2.gz IJVIBRWCKDZQLT-XJKSGUPXSA-N 1 3 297.418 1.575 20 30 CDEDHO C=CCC[NH+]1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001004056542 824191618 /nfs/dbraw/zinc/19/16/18/824191618.db2.gz QYYZLVKCPSHKBC-UHFFFAOYSA-N 1 3 276.384 1.417 20 30 CDEDHO C=CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046568946 824208164 /nfs/dbraw/zinc/20/81/64/824208164.db2.gz 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ZINC001028579493 824819242 /nfs/dbraw/zinc/81/92/42/824819242.db2.gz FVRDHGLVFGFBQR-HZPDHXFCSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000886659413 825136681 /nfs/dbraw/zinc/13/66/81/825136681.db2.gz LWHYKUYVDZXSCI-INIZCTEOSA-N 1 3 263.429 1.546 20 30 CDEDHO C=CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000841008331 828756911 /nfs/dbraw/zinc/75/69/11/828756911.db2.gz XOOHHDVUWNTZIS-CYBMUJFWSA-N 1 3 253.390 1.080 20 30 CDEDHO C=CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000841008331 828756920 /nfs/dbraw/zinc/75/69/20/828756920.db2.gz XOOHHDVUWNTZIS-CYBMUJFWSA-N 1 3 253.390 1.080 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052657998 825280786 /nfs/dbraw/zinc/28/07/86/825280786.db2.gz CIZNUSSACWETMD-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052657998 825280792 /nfs/dbraw/zinc/28/07/92/825280792.db2.gz CIZNUSSACWETMD-HRCADAONSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009200834 825376909 /nfs/dbraw/zinc/37/69/09/825376909.db2.gz HJOLGTRGCZMSBI-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009200834 825376920 /nfs/dbraw/zinc/37/69/20/825376920.db2.gz HJOLGTRGCZMSBI-GJZGRUSLSA-N 1 3 279.428 1.485 20 30 CDEDHO C[C@H]1CCC[C@@](CNC(=[NH2+])N2CCSCC2)(N(C)C)C1 ZINC000261976344 825392590 /nfs/dbraw/zinc/39/25/90/825392590.db2.gz GGOQVCDLCOJBJJ-DZGCQCFKSA-N 1 3 298.500 1.860 20 30 CDEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925655286 826231598 /nfs/dbraw/zinc/23/15/98/826231598.db2.gz JGRPIBVMYNWFKC-PTPFZMSRSA-N 1 3 262.397 1.554 20 30 CDEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC000995876848 826853213 /nfs/dbraw/zinc/85/32/13/826853213.db2.gz BEUKDBPXWBROLN-CABCVRRESA-N 1 3 293.455 1.873 20 30 CDEDHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000923295826 826871815 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CDEDHO COCC#CCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179545 827431619 /nfs/dbraw/zinc/43/16/19/827431619.db2.gz NPDZKSFYHWOGRU-UHFFFAOYSA-N 1 3 250.386 1.444 20 30 CDEDHO C#CC[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016830983 827661447 /nfs/dbraw/zinc/66/14/47/827661447.db2.gz YWSWEIGLRCDFQK-LSDHHAIUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027441128 827733670 /nfs/dbraw/zinc/73/36/70/827733670.db2.gz RWRGYQCZSKMMRL-AWEZNQCLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027441128 827733691 /nfs/dbraw/zinc/73/36/91/827733691.db2.gz RWRGYQCZSKMMRL-AWEZNQCLSA-N 1 3 279.428 1.580 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000876718670 827824116 /nfs/dbraw/zinc/82/41/16/827824116.db2.gz YCXATYLLNAWMHS-AWEZNQCLSA-N 1 3 295.814 1.834 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089216 827851393 /nfs/dbraw/zinc/85/13/93/827851393.db2.gz 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/nfs/dbraw/zinc/39/67/46/914396746.db2.gz TYNMEAXGGWZYSE-UHFFFAOYSA-N 1 3 273.380 1.091 20 30 CDEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088110081 906326276 /nfs/dbraw/zinc/32/62/76/906326276.db2.gz LSZTVZUJIUYVAD-PMPSAXMXSA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088110081 906326280 /nfs/dbraw/zinc/32/62/80/906326280.db2.gz LSZTVZUJIUYVAD-PMPSAXMXSA-N 1 3 291.439 1.130 20 30 CDEDHO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534330 915860119 /nfs/dbraw/zinc/86/01/19/915860119.db2.gz HSXLXASZRBOKQS-KKUMJFAQSA-N 1 3 277.412 1.073 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179846552 916013052 /nfs/dbraw/zinc/01/30/52/916013052.db2.gz KBULMSJATWZPLJ-UHFFFAOYSA-N 1 3 269.433 1.780 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185925894 919820135 /nfs/dbraw/zinc/82/01/35/919820135.db2.gz QMSJQVMBSMRHNM-GFCCVEGCSA-N 1 3 262.357 1.109 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192344453 923016932 /nfs/dbraw/zinc/01/69/32/923016932.db2.gz XCNQFYRJFDCDPE-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192344453 923016955 /nfs/dbraw/zinc/01/69/55/923016955.db2.gz XCNQFYRJFDCDPE-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879883 925254626 /nfs/dbraw/zinc/25/46/26/925254626.db2.gz OPWKHWIOPPMQHQ-UHFFFAOYSA-N 1 3 281.444 1.829 20 30 CDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085422185 925942221 /nfs/dbraw/zinc/94/22/21/925942221.db2.gz KJOMDJDTFASYDY-MGPQQGTHSA-N 1 3 299.846 1.708 20 30 CDEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085422185 925942225 /nfs/dbraw/zinc/94/22/25/925942225.db2.gz KJOMDJDTFASYDY-MGPQQGTHSA-N 1 3 299.846 1.708 20 30 CDEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857843 937244829 /nfs/dbraw/zinc/24/48/29/937244829.db2.gz BCSNLXDYVHEHFJ-RDJZCZTQSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831452 928657874 /nfs/dbraw/zinc/65/78/74/928657874.db2.gz FUYBIMICJYFPJK-XHSDSOJGSA-N 1 3 291.439 1.319 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496869 928673328 /nfs/dbraw/zinc/67/33/28/928673328.db2.gz ZONYGIDWDKSITL-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135977760 930587210 /nfs/dbraw/zinc/58/72/10/930587210.db2.gz YNSWLUKOOSSACE-STQMWFEESA-N 1 3 289.851 1.954 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031227 930610630 /nfs/dbraw/zinc/61/06/30/930610630.db2.gz HPUZETQEPOBALV-NWDGAFQWSA-N 1 3 276.384 1.157 20 30 CDEDHO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930221 937483610 /nfs/dbraw/zinc/48/36/10/937483610.db2.gz JTBTWUXKGGZYNI-KGLIPLIRSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930221 937483613 /nfs/dbraw/zinc/48/36/13/937483613.db2.gz JTBTWUXKGGZYNI-KGLIPLIRSA-N 1 3 269.433 1.585 20 30 CDEDHO CN(C)CC#CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001120492512 937803074 /nfs/dbraw/zinc/80/30/74/937803074.db2.gz MQZGIEQGCMKMPL-OAHLLOKOSA-N 1 3 280.799 1.398 20 30 CDEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114832127 935003276 /nfs/dbraw/zinc/00/32/76/935003276.db2.gz LULPKFIVHSVFDX-LJIGWXMPSA-N 1 3 291.439 1.483 20 30 CDEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114832127 935003283 /nfs/dbraw/zinc/00/32/83/935003283.db2.gz LULPKFIVHSVFDX-LJIGWXMPSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157247884 938469105 /nfs/dbraw/zinc/46/91/05/938469105.db2.gz AOEBUGRIUOGYIC-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159861056 938757613 /nfs/dbraw/zinc/75/76/13/938757613.db2.gz JZLFSTJFZHKIQO-UHFFFAOYSA-N 1 3 267.417 1.533 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667794 939624929 /nfs/dbraw/zinc/62/49/29/939624929.db2.gz IQKFUOCKPDDKFW-CYBMUJFWSA-N 1 3 253.390 1.000 20 30 CDEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515579 940337324 /nfs/dbraw/zinc/33/73/24/940337324.db2.gz UWFJPCFYPVYCAT-BZUAXINKSA-N 1 3 295.471 1.975 20 30 CDEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515579 940337328 /nfs/dbraw/zinc/33/73/28/940337328.db2.gz UWFJPCFYPVYCAT-BZUAXINKSA-N 1 3 295.471 1.975 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215540838 940893359 /nfs/dbraw/zinc/89/33/59/940893359.db2.gz RJQFUFMPRNLXKJ-QLFBSQMISA-N 1 3 279.428 1.483 20 30 CDEDHO N#Cc1c(NC(=O)[C@@H](N)CCC[NH3+])sc2c1CCC2 ZINC001218545671 941234930 /nfs/dbraw/zinc/23/49/30/941234930.db2.gz LIUCFKLUZSQHTK-JTQLQIEISA-N 1 3 278.381 1.113 20 30 CDEDHO Cc1cc(C#N)c(NC(=O)[C@@H](N)CCCC[NH3+])s1 ZINC001218554095 941235462 /nfs/dbraw/zinc/23/54/62/941235462.db2.gz GTYKGEQQWSYMAW-JTQLQIEISA-N 1 3 266.370 1.323 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224522462 941764255 /nfs/dbraw/zinc/76/42/55/941764255.db2.gz JEHNNRUYEWOOLE-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284572 942601240 /nfs/dbraw/zinc/60/12/40/942601240.db2.gz LLOXLILXOUCRKB-HUUCEWRRSA-N 1 3 281.444 1.920 20 30 CDEDHO N#CCCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277943469 944149156 /nfs/dbraw/zinc/14/91/56/944149156.db2.gz WSSLTSWTNMMHSF-IYBDPMFKSA-N 1 3 287.411 1.857 20 30 CDEDHO N#CCCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277943469 944149160 /nfs/dbraw/zinc/14/91/60/944149160.db2.gz WSSLTSWTNMMHSF-IYBDPMFKSA-N 1 3 287.411 1.857 20 30 CDEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246088478 947937707 /nfs/dbraw/zinc/93/77/07/947937707.db2.gz KBFLUSIOQNCMNJ-UHOFOFEASA-N 1 3 291.370 1.141 20 30 CDEDHO C[C@@H]1C[C@H](NC(=N)c2ccc(Cl)cn2)CC[NH2+]1 ZINC001246213246 948031058 /nfs/dbraw/zinc/03/10/58/948031058.db2.gz DPODGEXKJRRPAQ-PSASIEDQSA-N 1 3 252.749 1.581 20 30 CDEDHO C=CCOC(=O)N1CC2(C1)CCN(C1CC[NH2+]CC1)CC2 ZINC001246532813 948235092 /nfs/dbraw/zinc/23/50/92/948235092.db2.gz KMAOBUSSTHETGB-UHFFFAOYSA-N 1 3 293.411 1.459 20 30 CDEDHO C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCNCC1)CC2 ZINC001246532813 948235102 /nfs/dbraw/zinc/23/51/02/948235102.db2.gz KMAOBUSSTHETGB-UHFFFAOYSA-N 1 3 293.411 1.459 20 30 CDEDHO C=CCN(CC=C)CCN1CC[NH+](C[C@@](C)(O)C=C)CC1 ZINC001252556714 951450609 /nfs/dbraw/zinc/45/06/09/951450609.db2.gz IZUPCDZZNCIHQZ-KRWDZBQOSA-N 1 3 293.455 1.215 20 30 CDEDHO C=C[C@@H](O)CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253581051 951970418 /nfs/dbraw/zinc/97/04/18/951970418.db2.gz GDSVCHLEHDEPAQ-LSDHHAIUSA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253581051 951970424 /nfs/dbraw/zinc/97/04/24/951970424.db2.gz GDSVCHLEHDEPAQ-LSDHHAIUSA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253581051 951970428 /nfs/dbraw/zinc/97/04/28/951970428.db2.gz GDSVCHLEHDEPAQ-LSDHHAIUSA-N 1 3 252.402 1.874 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340864737 963161717 /nfs/dbraw/zinc/16/17/17/963161717.db2.gz JIDQPWXSWUPRSN-UPJWGTAASA-N 1 3 253.390 1.269 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001340864737 963161723 /nfs/dbraw/zinc/16/17/23/963161723.db2.gz JIDQPWXSWUPRSN-UPJWGTAASA-N 1 3 253.390 1.269 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340946634 963206991 /nfs/dbraw/zinc/20/69/91/963206991.db2.gz XYAPGPSTONCVAW-LSDHHAIUSA-N 1 3 299.459 1.559 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001341777903 963539062 /nfs/dbraw/zinc/53/90/62/963539062.db2.gz NHPAODGEVWOILQ-JYJNAYRXSA-N 1 3 293.455 1.908 20 30 CDEDHO C=CCCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342399434 963730538 /nfs/dbraw/zinc/73/05/38/963730538.db2.gz VCOVZCLVYGETHA-ZDUSSCGKSA-N 1 3 259.353 1.912 20 30 CDEDHO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001374032558 973744691 /nfs/dbraw/zinc/74/46/91/973744691.db2.gz ZSLLGCAHGWGNJT-LLVKDONJSA-N 1 3 287.835 1.565 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001499935897 974339312 /nfs/dbraw/zinc/33/93/12/974339312.db2.gz PTVGWTYLACFDAF-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133275895 1163624007 /nfs/dbraw/zinc/62/40/07/1163624007.db2.gz XYPDYYSRFHQREQ-LSDHHAIUSA-N 1 3 281.444 1.588 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786523 342597130 /nfs/dbraw/zinc/59/71/30/342597130.db2.gz DBYHOWXXTOBPCU-AWEZNQCLSA-N 1 3 281.444 1.729 20 30 CDEDHO C=CCNC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786523 342597131 /nfs/dbraw/zinc/59/71/31/342597131.db2.gz DBYHOWXXTOBPCU-AWEZNQCLSA-N 1 3 281.444 1.729 20 30 CDEDHO C[NH2+]C[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000596655029 343372291 /nfs/dbraw/zinc/37/22/91/343372291.db2.gz SCQPNTCJQSFATA-CQSZACIVSA-N 1 3 286.423 1.720 20 30 CDEDHO CNC[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000596655029 343372294 /nfs/dbraw/zinc/37/22/94/343372294.db2.gz SCQPNTCJQSFATA-CQSZACIVSA-N 1 3 286.423 1.720 20 30 CDEDHO C[C@@H](CNC[C@H](O)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000598719414 343883301 /nfs/dbraw/zinc/88/33/01/343883301.db2.gz HXPHIBTVEFWYNK-UONOGXRCSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CN1CCCC1 ZINC000598719414 343883302 /nfs/dbraw/zinc/88/33/02/343883302.db2.gz HXPHIBTVEFWYNK-UONOGXRCSA-N 1 3 267.417 1.609 20 30 CDEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)CN1CCCC1 ZINC000611391506 346775954 /nfs/dbraw/zinc/77/59/54/346775954.db2.gz JAZDEWDHJXCZMD-WMZOPIPTSA-N 1 3 299.418 1.982 20 30 CDEDHO CCNC(=[NH2+])NCc1ccccc1CN(CC)CC ZINC000264144603 362978411 /nfs/dbraw/zinc/97/84/11/362978411.db2.gz XISUIWVXEBNYBV-UHFFFAOYSA-N 1 3 262.401 1.953 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000050024179 359276959 /nfs/dbraw/zinc/27/69/59/359276959.db2.gz OEDVJTSYLSXDIY-UHFFFAOYSA-N 1 3 293.455 1.567 20 30 CDEDHO CC(C)[N@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349850525 360949185 /nfs/dbraw/zinc/94/91/85/360949185.db2.gz FPVRZWMYOVMXBE-INIZCTEOSA-N 1 3 298.390 1.697 20 30 CDEDHO CC(C)[N@@H+](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349850525 360949190 /nfs/dbraw/zinc/94/91/90/360949190.db2.gz FPVRZWMYOVMXBE-INIZCTEOSA-N 1 3 298.390 1.697 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccoc1 ZINC000170904517 365158745 /nfs/dbraw/zinc/15/87/45/365158745.db2.gz PQDHUXQSNNJZBE-LBPRGKRZSA-N 1 3 250.346 1.168 20 30 CDEDHO COc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800110 241394115 /nfs/dbraw/zinc/39/41/15/241394115.db2.gz KSFFKFMCQAWGJA-TZMCWYRMSA-N 1 3 259.353 1.784 20 30 CDEDHO C=C(CC)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000358621136 367823310 /nfs/dbraw/zinc/82/33/10/367823310.db2.gz SFBWLACNYPKSLT-UHFFFAOYSA-N 1 3 267.417 1.342 20 30 CDEDHO C#CCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194539324 378402838 /nfs/dbraw/zinc/40/28/38/378402838.db2.gz JDJXFVPQNWZPRY-IYBDPMFKSA-N 1 3 270.376 1.692 20 30 CDEDHO C#CCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194539324 378402842 /nfs/dbraw/zinc/40/28/42/378402842.db2.gz JDJXFVPQNWZPRY-IYBDPMFKSA-N 1 3 270.376 1.692 20 30 CDEDHO C=CCNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179616 391152456 /nfs/dbraw/zinc/15/24/56/391152456.db2.gz UVKBJEQSFFSSSS-UHFFFAOYSA-N 1 3 265.401 1.096 20 30 CDEDHO C=CCOCCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000339061519 391248071 /nfs/dbraw/zinc/24/80/71/391248071.db2.gz LUAHZPCNKYEPQW-HNNXBMFYSA-N 1 3 281.444 1.289 20 30 CDEDHO C=CCOCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000339061519 391248075 /nfs/dbraw/zinc/24/80/75/391248075.db2.gz LUAHZPCNKYEPQW-HNNXBMFYSA-N 1 3 281.444 1.289 20 30 CDEDHO C=CCOCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000339061519 391248078 /nfs/dbraw/zinc/24/80/78/391248078.db2.gz LUAHZPCNKYEPQW-HNNXBMFYSA-N 1 3 281.444 1.289 20 30 CDEDHO C[C@H](CCC#N)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000411411008 391449419 /nfs/dbraw/zinc/44/94/19/391449419.db2.gz UMOVQATYZAWGJT-CQSZACIVSA-N 1 3 266.433 1.636 20 30 CDEDHO C[C@H](CCC#N)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000411411008 391449423 /nfs/dbraw/zinc/44/94/23/391449423.db2.gz UMOVQATYZAWGJT-CQSZACIVSA-N 1 3 266.433 1.636 20 30 CDEDHO C=CCOCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000348029570 391413878 /nfs/dbraw/zinc/41/38/78/391413878.db2.gz FWCVWWVHWTWKPR-OWCLPIDISA-N 1 3 282.428 1.763 20 30 CDEDHO CC(C#N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360894198 391676313 /nfs/dbraw/zinc/67/63/13/391676313.db2.gz NETQRYAXKHUPRE-GFCCVEGCSA-N 1 3 267.373 1.105 20 30 CDEDHO CC(C#N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347055642 289236400 /nfs/dbraw/zinc/23/64/00/289236400.db2.gz APNBXFODUSIXKG-BZPMIXESSA-N 1 3 251.374 1.773 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341088053 263321824 /nfs/dbraw/zinc/32/18/24/263321824.db2.gz JXZUSHONWKSDRR-HIFRSBDPSA-N 1 3 294.443 1.419 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341088053 263321826 /nfs/dbraw/zinc/32/18/26/263321826.db2.gz JXZUSHONWKSDRR-HIFRSBDPSA-N 1 3 294.443 1.419 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCCC1(C)C ZINC000263209195 330049255 /nfs/dbraw/zinc/04/92/55/330049255.db2.gz YTZXRHBAMIKTMK-CJNGLKHVSA-N 1 3 296.459 1.316 20 30 CDEDHO C=CCNC(NC[C@]1(N(C)C)CCC[C@@H](C)C1)=[NH+]C ZINC000263259921 330050917 /nfs/dbraw/zinc/05/09/17/330050917.db2.gz SIAPXPSHLLKDTO-HIFRSBDPSA-N 1 3 266.433 1.848 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CC(F)(F)C1 ZINC000263275485 330051306 /nfs/dbraw/zinc/05/13/06/330051306.db2.gz QGSVNFFGJDQPCD-SNVBAGLBSA-N 1 3 260.332 1.173 20 30 CDEDHO CN(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424135431 330270419 /nfs/dbraw/zinc/27/04/19/330270419.db2.gz MGVAFUSDXIOCJU-LSDHHAIUSA-N 1 3 288.395 1.427 20 30 CDEDHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)CCCC#N ZINC000424149276 330295756 /nfs/dbraw/zinc/29/57/56/330295756.db2.gz WFAXKFDTVMQBKM-KBPBESRZSA-N 1 3 280.416 1.340 20 30 CDEDHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](N)CCCC#N ZINC000424149276 330295757 /nfs/dbraw/zinc/29/57/57/330295757.db2.gz WFAXKFDTVMQBKM-KBPBESRZSA-N 1 3 280.416 1.340 20 30 CDEDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](N)CCCC#N ZINC000424159218 330306128 /nfs/dbraw/zinc/30/61/28/330306128.db2.gz VDSYQUAJBSZSER-HZSPNIEDSA-N 1 3 278.400 1.093 20 30 CDEDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](N)CCCC#N ZINC000424159218 330306129 /nfs/dbraw/zinc/30/61/29/330306129.db2.gz VDSYQUAJBSZSER-HZSPNIEDSA-N 1 3 278.400 1.093 20 30 CDEDHO C[NH+](C)Cc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424188804 330322043 /nfs/dbraw/zinc/32/20/43/330322043.db2.gz JXZGUTYZLVNCKO-OAHLLOKOSA-N 1 3 288.395 1.386 20 30 CDEDHO C[NH+](C)CCOc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442816124 330785229 /nfs/dbraw/zinc/78/52/29/330785229.db2.gz DEJDHAVHHOZDIH-UKRRQHHQSA-N 1 3 288.395 1.804 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000454458147 331146583 /nfs/dbraw/zinc/14/65/83/331146583.db2.gz FVHMDKDZJBMXKF-ZDUSSCGKSA-N 1 3 282.432 1.276 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000491373825 332199650 /nfs/dbraw/zinc/19/96/50/332199650.db2.gz OVUIJAMRZZVYPG-HNNXBMFYSA-N 1 3 294.443 1.115 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024928 1159505190 /nfs/dbraw/zinc/50/51/90/1159505190.db2.gz LLIRYCZVXSFOHR-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755024928 1159505194 /nfs/dbraw/zinc/50/51/94/1159505194.db2.gz LLIRYCZVXSFOHR-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)C#N)[C@H](C)C1 ZINC000347080118 528666720 /nfs/dbraw/zinc/66/67/20/528666720.db2.gz IJBNGROZZJKJSH-MJBXVCDLSA-N 1 3 281.400 1.399 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)C#N)[C@H](C)C1 ZINC000347080118 528666724 /nfs/dbraw/zinc/66/67/24/528666724.db2.gz IJBNGROZZJKJSH-MJBXVCDLSA-N 1 3 281.400 1.399 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648141 612994021 /nfs/dbraw/zinc/99/40/21/612994021.db2.gz JJWMVSJGJLSZPA-ZBFHGGJFSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648141 612994022 /nfs/dbraw/zinc/99/40/22/612994022.db2.gz JJWMVSJGJLSZPA-ZBFHGGJFSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980473053 613086576 /nfs/dbraw/zinc/08/65/76/613086576.db2.gz YMQKDKABWCFJAF-QGZVFWFLSA-N 1 3 299.418 1.528 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891920839 617774130 /nfs/dbraw/zinc/77/41/30/617774130.db2.gz FCOPIRFJUILZLJ-CQSZACIVSA-N 1 3 294.443 1.019 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891921712 617775907 /nfs/dbraw/zinc/77/59/07/617775907.db2.gz SPYACLKDAGXQOF-AWEZNQCLSA-N 1 3 294.443 1.019 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908436813 628200202 /nfs/dbraw/zinc/20/02/02/628200202.db2.gz VOXBXIYVNLSNAQ-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908436813 628200203 /nfs/dbraw/zinc/20/02/03/628200203.db2.gz VOXBXIYVNLSNAQ-LSDHHAIUSA-N 1 3 277.412 1.075 20 30 CDEDHO CN(C)CC#CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000913519364 630524354 /nfs/dbraw/zinc/52/43/54/630524354.db2.gz XEMNTNZYTYMQJK-UHFFFAOYSA-N 1 3 273.380 1.043 20 30 CDEDHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001567742134 1168946099 /nfs/dbraw/zinc/94/60/99/1168946099.db2.gz LIIJLHDWEDSLGH-HUUCEWRRSA-N 1 3 279.428 1.130 20 30 CDEDHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001567742134 1168946105 /nfs/dbraw/zinc/94/61/05/1168946105.db2.gz LIIJLHDWEDSLGH-HUUCEWRRSA-N 1 3 279.428 1.130 20 30 CDEDHO C#CC[NH2+][C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001676173933 1174187179 /nfs/dbraw/zinc/18/71/79/1174187179.db2.gz OAFBNAFOMIGKEC-HUUCEWRRSA-N 1 3 281.444 1.326 20 30 CDEDHO C#CC[NH2+][C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001700712972 1177086285 /nfs/dbraw/zinc/08/62/85/1177086285.db2.gz OAFBNAFOMIGKEC-CABCVRRESA-N 1 3 281.444 1.326 20 30 CDEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001732309748 1182902253 /nfs/dbraw/zinc/90/22/53/1182902253.db2.gz DBSIJVFJLDAMOZ-MGPQQGTHSA-N 1 3 267.417 1.530 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996258 1184987967 /nfs/dbraw/zinc/98/79/67/1184987967.db2.gz BAFKXRLKJOMQBS-HNNXBMFYSA-N 1 3 279.428 1.274 20 30 CDEDHO C=CCCC[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001753063690 1185030732 /nfs/dbraw/zinc/03/07/32/1185030732.db2.gz AYZCRZNHXKAVRY-CQSZACIVSA-N 1 3 267.417 1.342 20 30 CDEDHO C=CCCC[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001753063690 1185030736 /nfs/dbraw/zinc/03/07/36/1185030736.db2.gz AYZCRZNHXKAVRY-CQSZACIVSA-N 1 3 267.417 1.342 20 30 CDEDHO CC#CCNCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001753592504 1185261362 /nfs/dbraw/zinc/26/13/62/1185261362.db2.gz PWTLNJMNGOIVTE-KRWDZBQOSA-N 1 3 299.418 1.367 20 30 CDEDHO 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/nfs/dbraw/zinc/25/41/84/925254184.db2.gz LCBPJYZJFSBZFB-MRXNPFEDSA-N 1 3 299.434 1.871 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368539 937053616 /nfs/dbraw/zinc/05/36/16/937053616.db2.gz ZGWZMBVSEDIGIG-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368539 937053621 /nfs/dbraw/zinc/05/36/21/937053621.db2.gz ZGWZMBVSEDIGIG-OWCLPIDISA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201150022 926205191 /nfs/dbraw/zinc/20/51/91/926205191.db2.gz SYQKACAOKABUBJ-HNNXBMFYSA-N 1 3 281.444 1.729 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550417 937145615 /nfs/dbraw/zinc/14/56/15/937145615.db2.gz OTZLDRWNLDKPII-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550417 937145619 /nfs/dbraw/zinc/14/56/19/937145619.db2.gz OTZLDRWNLDKPII-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567240 929184484 /nfs/dbraw/zinc/18/44/84/929184484.db2.gz DPKLHDORMQIQPJ-RDJZCZTQSA-N 1 3 293.455 1.733 20 30 CDEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135977758 930587912 /nfs/dbraw/zinc/58/79/12/930587912.db2.gz YNSWLUKOOSSACE-OLZOCXBDSA-N 1 3 289.851 1.954 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153891183 937481678 /nfs/dbraw/zinc/48/16/78/937481678.db2.gz PUZFDMTZDXQOGJ-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153891183 937481680 /nfs/dbraw/zinc/48/16/80/937481680.db2.gz PUZFDMTZDXQOGJ-CABCVRRESA-N 1 3 279.428 1.321 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069577 937500005 /nfs/dbraw/zinc/50/00/05/937500005.db2.gz HDLOCCIOGLINEU-CQSZACIVSA-N 1 3 281.444 1.567 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069577 937500007 /nfs/dbraw/zinc/50/00/07/937500007.db2.gz HDLOCCIOGLINEU-CQSZACIVSA-N 1 3 281.444 1.567 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121232634 937863214 /nfs/dbraw/zinc/86/32/14/937863214.db2.gz GYQSLOWORZHDKJ-UHFFFAOYSA-N 1 3 289.423 1.121 20 30 CDEDHO C#CC[NH2+]CC1(CCNC(=O)C(C)(C)N(C)CC)CC1 ZINC001165810163 939578213 /nfs/dbraw/zinc/57/82/13/939578213.db2.gz XRVDKHXOYPTKLM-UHFFFAOYSA-N 1 3 279.428 1.226 20 30 CDEDHO C=C(C)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667795 939624822 /nfs/dbraw/zinc/62/48/22/939624822.db2.gz IQKFUOCKPDDKFW-ZDUSSCGKSA-N 1 3 253.390 1.000 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203456456 939687251 /nfs/dbraw/zinc/68/72/51/939687251.db2.gz ZOWVOOYJHSWRCV-UHFFFAOYSA-N 1 3 281.444 1.875 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274228 940010087 /nfs/dbraw/zinc/01/00/87/940010087.db2.gz FDPXAEXFUCVZEE-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425364 940329795 /nfs/dbraw/zinc/32/97/95/940329795.db2.gz FCKVTSBTKNQXNB-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO C[N@H+]1C[C@H]2CN(CCCc3cccc(C#N)c3)C[C@H]2C1 ZINC001208850841 940396092 /nfs/dbraw/zinc/39/60/92/940396092.db2.gz KZJRJFRUYZGPRE-CALCHBBNSA-N 1 3 269.392 1.984 20 30 CDEDHO C[N@@H+]1C[C@H]2CN(CCCc3cccc(C#N)c3)C[C@H]2C1 ZINC001208850841 940396093 /nfs/dbraw/zinc/39/60/93/940396093.db2.gz KZJRJFRUYZGPRE-CALCHBBNSA-N 1 3 269.392 1.984 20 30 CDEDHO C=CCCC[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001209162569 940442184 /nfs/dbraw/zinc/44/21/84/940442184.db2.gz JEKSGKJBGSITBX-UHFFFAOYSA-N 1 3 253.390 1.049 20 30 CDEDHO C=CCCC[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001209162569 940442185 /nfs/dbraw/zinc/44/21/85/940442185.db2.gz JEKSGKJBGSITBX-UHFFFAOYSA-N 1 3 253.390 1.049 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209641247 940622010 /nfs/dbraw/zinc/62/20/10/940622010.db2.gz HVHTTZQYEZOCOY-CVEARBPZSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474524 940888375 /nfs/dbraw/zinc/88/83/75/940888375.db2.gz WVKHZQIZRRCQOX-RBSFLKMASA-N 1 3 281.444 1.585 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215558175 940894138 /nfs/dbraw/zinc/89/41/38/940894138.db2.gz MZLCUFBCUFJVFQ-HUUCEWRRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219640627 941367876 /nfs/dbraw/zinc/36/78/76/941367876.db2.gz BATKDBSVIIMIAQ-ILXRZTDVSA-N 1 3 281.444 1.812 20 30 CDEDHO C=CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccccc1 ZINC001221361572 941521867 /nfs/dbraw/zinc/52/18/67/941521867.db2.gz WZEFVPMALRPZIS-LSDHHAIUSA-N 1 3 275.396 1.876 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472094 941680159 /nfs/dbraw/zinc/68/01/59/941680159.db2.gz KCOKVHCILICQLZ-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001229254848 942440325 /nfs/dbraw/zinc/44/03/25/942440325.db2.gz ZAPOKYGTWOOZJH-HNNXBMFYSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229859850 942542460 /nfs/dbraw/zinc/54/24/60/942542460.db2.gz FWQNTXIRKYMHGI-HUUCEWRRSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001230377884 942614577 /nfs/dbraw/zinc/61/45/77/942614577.db2.gz BSABSQHCRARARX-INIZCTEOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001263109558 943750766 /nfs/dbraw/zinc/75/07/66/943750766.db2.gz AOPQFBIJQSAENX-KFWWJZLASA-N 1 3 279.428 1.518 20 30 CDEDHO C#CCCN1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265319834 944340875 /nfs/dbraw/zinc/34/08/75/944340875.db2.gz SJAKQKFHKZRVRG-MRXNPFEDSA-N 1 3 291.439 1.466 20 30 CDEDHO N#Cc1cc(-c2cc(CN)ncn2)cc(C2C[NH2+]C2)c1 ZINC001240337246 945792835 /nfs/dbraw/zinc/79/28/35/945792835.db2.gz CYMBRZOXZAGQNL-UHFFFAOYSA-N 1 3 265.320 1.161 20 30 CDEDHO CC[C@H](CC#N)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255178477 947768320 /nfs/dbraw/zinc/76/83/20/947768320.db2.gz GWONZDNSMGTCFN-MRXNPFEDSA-N 1 3 278.444 1.638 20 30 CDEDHO CC1(C#N)CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088561 947937226 /nfs/dbraw/zinc/93/72/26/947937226.db2.gz LDKPQCLHXLBVSS-GNRIBBGQSA-N 1 3 269.364 1.111 20 30 CDEDHO C=CCOC1CCC(N2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246638314 948375317 /nfs/dbraw/zinc/37/53/17/948375317.db2.gz RWMJTVUHAQLDHO-UYSNPLJNSA-N 1 3 279.428 1.138 20 30 CDEDHO CCN1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001335395422 959771530 /nfs/dbraw/zinc/77/15/30/959771530.db2.gz VGRRRYMUIOBEPO-CHWSQXEVSA-N 1 3 253.390 1.219 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccc(F)cc2)CC1 ZINC001336784822 960589875 /nfs/dbraw/zinc/58/98/75/960589875.db2.gz IFAPTSMEDNWDAH-KRWDZBQOSA-N 1 3 290.382 1.936 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001340311611 962884258 /nfs/dbraw/zinc/88/42/58/962884258.db2.gz KXBVAOZUAFBLEA-ILXRZTDVSA-N 1 3 281.444 1.885 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001340719136 963090326 /nfs/dbraw/zinc/09/03/26/963090326.db2.gz KYCQQQABUFLMFN-QWHCGFSZSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001340719136 963090337 /nfs/dbraw/zinc/09/03/37/963090337.db2.gz KYCQQQABUFLMFN-QWHCGFSZSA-N 1 3 267.417 1.659 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265387 1163218151 /nfs/dbraw/zinc/21/81/51/1163218151.db2.gz MFCCKMUSYFLUBV-LSDHHAIUSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CCN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000130244563 375272497 /nfs/dbraw/zinc/27/24/97/375272497.db2.gz KIRBNDZCHVDWEZ-UHFFFAOYSA-N 1 3 293.455 1.570 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442710333 391728190 /nfs/dbraw/zinc/72/81/90/391728190.db2.gz CGXMPEOKZIRFLP-HIFRSBDPSA-N 1 3 264.417 1.294 20 30 CDEDHO C=CCN(CC=C)[C@@H](CNC(=O)C[NH2+]CC1CC1)C(C)C ZINC000269239707 132140476 /nfs/dbraw/zinc/14/04/76/132140476.db2.gz QGYOPIINRQMQNL-INIZCTEOSA-N 1 3 293.455 1.801 20 30 CDEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CN(C)C(C)C ZINC000660741404 413428371 /nfs/dbraw/zinc/42/83/71/413428371.db2.gz RBOZGYWFDGSPTP-MCIONIFRSA-N 1 3 256.390 1.011 20 30 CDEDHO CN(C)C(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190536568 262183885 /nfs/dbraw/zinc/18/38/85/262183885.db2.gz MWPIVIZNHCXDOU-OAHLLOKOSA-N 1 3 290.411 1.154 20 30 CDEDHO CN1CC[NH+]=C1NCC1CCN(c2ccncc2)CC1 ZINC000262686760 262783658 /nfs/dbraw/zinc/78/36/58/262783658.db2.gz YPSMHILLMZKEIE-UHFFFAOYSA-N 1 3 273.384 1.189 20 30 CDEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000333562040 303160667 /nfs/dbraw/zinc/16/06/67/303160667.db2.gz LCTLRSRZJIOKLK-QKGCVVFFSA-N 1 3 263.385 1.425 20 30 CDEDHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC#N)CC2)CC1 ZINC000563378315 328060523 /nfs/dbraw/zinc/06/05/23/328060523.db2.gz SQQWNXOHJFPNNE-UHFFFAOYSA-N 1 3 292.427 1.165 20 30 CDEDHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185774154 329331458 /nfs/dbraw/zinc/33/14/58/329331458.db2.gz DSIWWDXYDAXGTQ-HOCLYGCPSA-N 1 3 278.444 1.684 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1C ZINC000262195402 330001740 /nfs/dbraw/zinc/00/17/40/330001740.db2.gz RNIXKPJIVPIBJO-MELADBBJSA-N 1 3 266.433 1.811 20 30 CDEDHO C[NH+]=C(NC1CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262496254 330017691 /nfs/dbraw/zinc/01/76/91/330017691.db2.gz WNFAYUQAFUMOLY-ZDUSSCGKSA-N 1 3 250.390 1.284 20 30 CDEDHO C#CCNC(NC[C@H](C)N1CCCC[C@@H]1C)=[NH+]CC ZINC000262636247 330023691 /nfs/dbraw/zinc/02/36/91/330023691.db2.gz ZXWTVNZULQLCQH-KBPBESRZSA-N 1 3 264.417 1.438 20 30 CDEDHO C[NH+]=C(NCC1(O)CCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262814725 330033737 /nfs/dbraw/zinc/03/37/37/330033737.db2.gz WKVRFKWEJNXUIC-AWEZNQCLSA-N 1 3 294.443 1.037 20 30 CDEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422979617 330162602 /nfs/dbraw/zinc/16/26/02/330162602.db2.gz NFTJTQNCMRPWHQ-DZGCQCFKSA-N 1 3 251.418 1.744 20 30 CDEDHO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423149068 330172769 /nfs/dbraw/zinc/17/27/69/330172769.db2.gz AGTDLDWSOQXFGY-TZMCWYRMSA-N 1 3 263.385 1.826 20 30 CDEDHO CCCC[NH+]1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424151691 330297133 /nfs/dbraw/zinc/29/71/33/330297133.db2.gz HOKGOMKVBHNNBI-AWEZNQCLSA-N 1 3 280.416 1.388 20 30 CDEDHO C#CCN(C)CCCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000491619640 332245758 /nfs/dbraw/zinc/24/57/58/332245758.db2.gz CCJXIHURFYXHJL-AWEZNQCLSA-N 1 3 296.459 1.217 20 30 CDEDHO C=CCN1CCC(NC(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000189405127 333192278 /nfs/dbraw/zinc/19/22/78/333192278.db2.gz RYAAMRMDUANJRE-UHFFFAOYSA-N 1 3 296.459 1.620 20 30 CDEDHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001755560415 1160219166 /nfs/dbraw/zinc/21/91/66/1160219166.db2.gz WHGZZQOSESPGOJ-OAHLLOKOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001690103800 1175377262 /nfs/dbraw/zinc/37/72/62/1175377262.db2.gz VQCDMURXOQMAKC-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001690103800 1175377268 /nfs/dbraw/zinc/37/72/68/1175377268.db2.gz VQCDMURXOQMAKC-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC000961783560 613279489 /nfs/dbraw/zinc/27/94/89/613279489.db2.gz AQPZIONQZAOFCA-AIANPOQGSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC000961783560 613279490 /nfs/dbraw/zinc/27/94/90/613279490.db2.gz AQPZIONQZAOFCA-AIANPOQGSA-N 1 3 291.439 1.341 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977600550 613341773 /nfs/dbraw/zinc/34/17/73/613341773.db2.gz NXZJKXMBJPYHNJ-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977600550 613341774 /nfs/dbraw/zinc/34/17/74/613341774.db2.gz NXZJKXMBJPYHNJ-KBPBESRZSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959852961 613839867 /nfs/dbraw/zinc/83/98/67/613839867.db2.gz XWZKCHRRLAHSRX-BARDWOONSA-N 1 3 277.412 1.092 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000959852961 613839868 /nfs/dbraw/zinc/83/98/68/613839868.db2.gz XWZKCHRRLAHSRX-BARDWOONSA-N 1 3 277.412 1.092 20 30 CDEDHO C=CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)COC ZINC000903766889 626084800 /nfs/dbraw/zinc/08/48/00/626084800.db2.gz CMTDRLDASDDDKC-HUUCEWRRSA-N 1 3 282.428 1.668 20 30 CDEDHO C=CCOc1ccc(C[NH2+]CC2(N)CC2)cc1OC ZINC000904448664 626300257 /nfs/dbraw/zinc/30/02/57/626300257.db2.gz BISLCMDTEDYSFQ-UHFFFAOYSA-N 1 3 262.353 1.841 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001755686726 1160486385 /nfs/dbraw/zinc/48/63/85/1160486385.db2.gz OZORCZPYLXKRAT-TZMCWYRMSA-N 1 3 276.384 1.497 20 30 CDEDHO CN1CCN(c2cc[nH+]c(NC(=O)C#CC3CC3)c2)CC1 ZINC000870665333 1165199574 /nfs/dbraw/zinc/19/95/74/1165199574.db2.gz QQDBLFBQUFEVHO-UHFFFAOYSA-N 1 3 284.363 1.185 20 30 CDEDHO C#CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001713868726 1178804043 /nfs/dbraw/zinc/80/40/43/1178804043.db2.gz PBYGRLJVUDKUJQ-GJZGRUSLSA-N 1 3 279.428 1.080 20 30 CDEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001731384208 1182347470 /nfs/dbraw/zinc/34/74/70/1182347470.db2.gz CCDKUJNHWNATBC-UONOGXRCSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001731670711 1182512700 /nfs/dbraw/zinc/51/27/00/1182512700.db2.gz FCUCVWXNTOXOJF-KGLIPLIRSA-N 1 3 267.417 1.341 20 30 CDEDHO CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001752229977 1184839642 /nfs/dbraw/zinc/83/96/42/1184839642.db2.gz QGPZSYWUMADZBU-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001752229977 1184839643 /nfs/dbraw/zinc/83/96/43/1184839643.db2.gz QGPZSYWUMADZBU-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CCC ZINC001753897593 1185386051 /nfs/dbraw/zinc/38/60/51/1185386051.db2.gz 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ZINC001038270112 836706210 /nfs/dbraw/zinc/70/62/10/836706210.db2.gz SAJCVKQWNKOJMR-CVEARBPZSA-N 1 3 291.439 1.485 20 30 CDEDHO CCCC[N@H+](C)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000809571887 836833110 /nfs/dbraw/zinc/83/31/10/836833110.db2.gz DOFNOBXSMOQXGT-OAHLLOKOSA-N 1 3 267.417 1.705 20 30 CDEDHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000809571887 836833113 /nfs/dbraw/zinc/83/31/13/836833113.db2.gz DOFNOBXSMOQXGT-OAHLLOKOSA-N 1 3 267.417 1.705 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015391722 837348779 /nfs/dbraw/zinc/34/87/79/837348779.db2.gz KCCZQBVCBXCIQP-HOTGVXAUSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001015391722 837348790 /nfs/dbraw/zinc/34/87/90/837348790.db2.gz KCCZQBVCBXCIQP-HOTGVXAUSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049480850 837863027 /nfs/dbraw/zinc/86/30/27/837863027.db2.gz GTLXNGCQCUJXOU-FPCVCCKLSA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480850 837863028 /nfs/dbraw/zinc/86/30/28/837863028.db2.gz GTLXNGCQCUJXOU-FPCVCCKLSA-N 1 3 291.439 1.578 20 30 CDEDHO C#CC[C@@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000883124224 838209318 /nfs/dbraw/zinc/20/93/18/838209318.db2.gz ARVASPMVGMDSKY-SFHVURJKSA-N 1 3 286.419 1.667 20 30 CDEDHO C=C(C)CN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796935 838210567 /nfs/dbraw/zinc/21/05/67/838210567.db2.gz UAVHHEMGQSYEJL-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736433 838715657 /nfs/dbraw/zinc/71/56/57/838715657.db2.gz ZTJQFFSYNBSOFP-HUUCEWRRSA-N 1 3 289.423 1.027 20 30 CDEDHO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036736433 838715679 /nfs/dbraw/zinc/71/56/79/838715679.db2.gz ZTJQFFSYNBSOFP-HUUCEWRRSA-N 1 3 289.423 1.027 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864614 838822943 /nfs/dbraw/zinc/82/29/43/838822943.db2.gz LFJIFPDNDCZILV-GASCZTMLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864614 838822950 /nfs/dbraw/zinc/82/29/50/838822950.db2.gz LFJIFPDNDCZILV-GASCZTMLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001036193088 838904111 /nfs/dbraw/zinc/90/41/11/838904111.db2.gz KLRAGGHJSOUUGI-GXTWGEPZSA-N 1 3 276.384 1.355 20 30 CDEDHO C=CCC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000883176050 838984108 /nfs/dbraw/zinc/98/41/08/838984108.db2.gz UTVKVIMTFAEMBN-HRCADAONSA-N 1 3 282.428 1.547 20 30 CDEDHO C=CCN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993930496 839201201 /nfs/dbraw/zinc/20/12/01/839201201.db2.gz QHWGHXQSWFYFPX-HOCLYGCPSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035851772 839201447 /nfs/dbraw/zinc/20/14/47/839201447.db2.gz WRDUPIALJJWNDW-UHFFFAOYSA-N 1 3 291.439 1.583 20 30 CDEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736769 839823031 /nfs/dbraw/zinc/82/30/31/839823031.db2.gz GOVDOKKXZKTRLW-HOCLYGCPSA-N 1 3 291.439 1.580 20 30 CDEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001036736769 839823040 /nfs/dbraw/zinc/82/30/40/839823040.db2.gz GOVDOKKXZKTRLW-HOCLYGCPSA-N 1 3 291.439 1.580 20 30 CDEDHO C[C@H](CNC(=[NH2+])N(C)C1CC1)N1CCC[C@@H](C)C1 ZINC000305807912 839894533 /nfs/dbraw/zinc/89/45/33/839894533.db2.gz HJSIEGRVWZAYIO-VXGBXAGGSA-N 1 3 252.406 1.516 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916615 840120907 /nfs/dbraw/zinc/12/09/07/840120907.db2.gz QEBIDGXNSKSJCJ-GJZGRUSLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916615 840120925 /nfs/dbraw/zinc/12/09/25/840120925.db2.gz QEBIDGXNSKSJCJ-GJZGRUSLSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CNC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000848981067 840899926 /nfs/dbraw/zinc/89/99/26/840899926.db2.gz FJKGDHQUABFRAI-UHFFFAOYSA-N 1 3 252.406 1.941 20 30 CDEDHO C=CCN1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001112563 841877852 /nfs/dbraw/zinc/87/78/52/841877852.db2.gz IYWNMBSZILAPMI-UHFFFAOYSA-N 1 3 277.412 1.263 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046777002 841972306 /nfs/dbraw/zinc/97/23/06/841972306.db2.gz OQZCHIWFIWZKGP-HNNXBMFYSA-N 1 3 277.412 1.239 20 30 CDEDHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886010433 841975634 /nfs/dbraw/zinc/97/56/34/841975634.db2.gz JDRCSSRGTVAPAO-KGLIPLIRSA-N 1 3 265.401 1.315 20 30 CDEDHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886010433 841975654 /nfs/dbraw/zinc/97/56/54/841975654.db2.gz JDRCSSRGTVAPAO-KGLIPLIRSA-N 1 3 265.401 1.315 20 30 CDEDHO C[C@@H](C#N)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849003922 842397701 /nfs/dbraw/zinc/39/77/01/842397701.db2.gz OIHISGJZHZHNFT-AWEZNQCLSA-N 1 3 299.422 1.925 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980565 912428785 /nfs/dbraw/zinc/42/87/85/912428785.db2.gz LNQXKHWZVHQIAQ-RDBSUJKOSA-N 1 3 265.401 1.093 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980565 912428789 /nfs/dbraw/zinc/42/87/89/912428789.db2.gz LNQXKHWZVHQIAQ-RDBSUJKOSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175766724 913779029 /nfs/dbraw/zinc/77/90/29/913779029.db2.gz ACAQAJSQNKAXHQ-CQSZACIVSA-N 1 3 267.417 1.226 20 30 CDEDHO C=CC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127317586 913819291 /nfs/dbraw/zinc/81/92/91/913819291.db2.gz SANNHXCWRNGVPI-UHFFFAOYSA-N 1 3 253.390 1.143 20 30 CDEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704761 914167421 /nfs/dbraw/zinc/16/74/21/914167421.db2.gz BQSHMWFKXHWXAL-ZIAGYGMSSA-N 1 3 290.411 1.603 20 30 CDEDHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267716742 899360219 /nfs/dbraw/zinc/36/02/19/899360219.db2.gz RZGFZLHBQLIDDZ-HRCADAONSA-N 1 3 293.455 1.824 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001270058748 904313835 /nfs/dbraw/zinc/31/38/35/904313835.db2.gz LUVHRNHBULBJMO-CABCVRRESA-N 1 3 297.418 1.270 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001088390352 907092508 /nfs/dbraw/zinc/09/25/08/907092508.db2.gz LTMVABPARAKGAD-CQSZACIVSA-N 1 3 290.411 1.889 20 30 CDEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003625171 921366209 /nfs/dbraw/zinc/36/62/09/921366209.db2.gz BXROAKBTHNGYPP-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516948 918508063 /nfs/dbraw/zinc/50/80/63/918508063.db2.gz HHNYRCQPCBGRMS-NVXWUHKLSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628562 919219381 /nfs/dbraw/zinc/21/93/81/919219381.db2.gz MASRVBLGMRIOOF-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185356946 919544513 /nfs/dbraw/zinc/54/45/13/919544513.db2.gz BDJGQXJVIDOILA-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650868 919692522 /nfs/dbraw/zinc/69/25/22/919692522.db2.gz PXLSHOIMGPMGJE-HUUCEWRRSA-N 1 3 279.428 1.627 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001485918695 920575731 /nfs/dbraw/zinc/57/57/31/920575731.db2.gz CLMVMSRXDQZDSQ-UONOGXRCSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190666240 922108544 /nfs/dbraw/zinc/10/85/44/922108544.db2.gz KWQZUEKLHVWBRU-CVEARBPZSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001190666240 922108558 /nfs/dbraw/zinc/10/85/58/922108558.db2.gz KWQZUEKLHVWBRU-CVEARBPZSA-N 1 3 293.455 1.826 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342230 923011711 /nfs/dbraw/zinc/01/17/11/923011711.db2.gz AJGRYOIJQJNADF-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342230 923011724 /nfs/dbraw/zinc/01/17/24/923011724.db2.gz AJGRYOIJQJNADF-HUUCEWRRSA-N 1 3 277.412 1.027 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970160 923392263 /nfs/dbraw/zinc/39/22/63/923392263.db2.gz QAHPDXAIFYZUPV-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970160 923392275 /nfs/dbraw/zinc/39/22/75/923392275.db2.gz QAHPDXAIFYZUPV-OAHLLOKOSA-N 1 3 297.443 1.064 20 30 CDEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027733 923418179 /nfs/dbraw/zinc/41/81/79/923418179.db2.gz RSHBUEKRSVQHMK-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193027733 923418193 /nfs/dbraw/zinc/41/81/93/923418193.db2.gz RSHBUEKRSVQHMK-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026819 923418361 /nfs/dbraw/zinc/41/83/61/923418361.db2.gz MHXUPCPGIJJLGV-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026819 923418371 /nfs/dbraw/zinc/41/83/71/923418371.db2.gz MHXUPCPGIJJLGV-INIZCTEOSA-N 1 3 293.455 1.827 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@H]2C)CC1 ZINC001080992603 924673347 /nfs/dbraw/zinc/67/33/47/924673347.db2.gz RKWKYAUWGVITKG-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@H]2C)CC1 ZINC001080992603 924673351 /nfs/dbraw/zinc/67/33/51/924673351.db2.gz RKWKYAUWGVITKG-GDBMZVCRSA-N 1 3 291.439 1.178 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082740767 924990514 /nfs/dbraw/zinc/99/05/14/924990514.db2.gz FYNRHZYIAQUVSI-RBSFLKMASA-N 1 3 279.428 1.483 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787508 925859983 /nfs/dbraw/zinc/85/99/83/925859983.db2.gz AGSYBFJQSSNMDG-AWEZNQCLSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090558 937121903 /nfs/dbraw/zinc/12/19/03/937121903.db2.gz YGSWAMPRSOCANV-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090558 937121904 /nfs/dbraw/zinc/12/19/04/937121904.db2.gz YGSWAMPRSOCANV-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495905 928609854 /nfs/dbraw/zinc/60/98/54/928609854.db2.gz KVQKHPWTMXDBLI-AWEZNQCLSA-N 1 3 279.428 1.627 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649797 929000506 /nfs/dbraw/zinc/00/05/06/929000506.db2.gz DZDDEYMMDIKOLA-ILXRZTDVSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031228 930611761 /nfs/dbraw/zinc/61/17/61/930611761.db2.gz HPUZETQEPOBALV-RYUDHWBXSA-N 1 3 276.384 1.157 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879876 937480112 /nfs/dbraw/zinc/48/01/12/937480112.db2.gz OJEXVUOBHGYVRD-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879876 937480114 /nfs/dbraw/zinc/48/01/14/937480114.db2.gz OJEXVUOBHGYVRD-CVEARBPZSA-N 1 3 293.455 1.711 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226682 937651398 /nfs/dbraw/zinc/65/13/98/937651398.db2.gz NEYPHUCSOGTLQW-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226682 937651400 /nfs/dbraw/zinc/65/14/00/937651400.db2.gz NEYPHUCSOGTLQW-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001121916487 937889904 /nfs/dbraw/zinc/88/99/04/937889904.db2.gz AHCQRRZQCXKFRY-KGLIPLIRSA-N 1 3 265.401 1.367 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001158856448 938671194 /nfs/dbraw/zinc/67/11/94/938671194.db2.gz HJOVQHWMZJHHDA-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001158856448 938671195 /nfs/dbraw/zinc/67/11/95/938671195.db2.gz HJOVQHWMZJHHDA-OAHLLOKOSA-N 1 3 279.428 1.581 20 30 CDEDHO C=CCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931443 938761206 /nfs/dbraw/zinc/76/12/06/938761206.db2.gz CQSRWWPLDMIXNN-CQSZACIVSA-N 1 3 267.417 1.389 20 30 CDEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341299 940321959 /nfs/dbraw/zinc/32/19/59/940321959.db2.gz YFKQFKBMUFMPJK-AWEZNQCLSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209641249 940621936 /nfs/dbraw/zinc/62/19/36/940621936.db2.gz HVHTTZQYEZOCOY-HOTGVXAUSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210220784 940672293 /nfs/dbraw/zinc/67/22/93/940672293.db2.gz WTLGZGJOWRQEIL-AWEZNQCLSA-N 1 3 267.417 1.485 20 30 CDEDHO C#CC[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CCC[NH2+]1 ZINC001219027875 941301300 /nfs/dbraw/zinc/30/13/00/941301300.db2.gz GAIIDLOCRHJKEE-QGZVFWFLSA-N 1 3 299.374 1.253 20 30 CDEDHO N#Cc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])c2cccnc12 ZINC001219467885 941348560 /nfs/dbraw/zinc/34/85/60/941348560.db2.gz RNYIVIFWAJUQNU-ZDUSSCGKSA-N 1 3 297.362 1.501 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220885088 941481138 /nfs/dbraw/zinc/48/11/38/941481138.db2.gz XYZBYOKEBMAMTQ-STQMWFEESA-N 1 3 253.390 1.318 20 30 CDEDHO C#Cc1cccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001231664072 942967121 /nfs/dbraw/zinc/96/71/21/942967121.db2.gz VDTQNPAGNOOITL-UHFFFAOYSA-N 1 3 299.418 1.264 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266222097 944768523 /nfs/dbraw/zinc/76/85/23/944768523.db2.gz NPURXNCHXRFBCN-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266222097 944768527 /nfs/dbraw/zinc/76/85/27/944768527.db2.gz NPURXNCHXRFBCN-HZPDHXFCSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C[C@@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001253604145 951991583 /nfs/dbraw/zinc/99/15/83/951991583.db2.gz GTOCTUMFTILYOV-MRXNPFEDSA-N 1 3 290.407 1.150 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001326304795 954311544 /nfs/dbraw/zinc/31/15/44/954311544.db2.gz QYVPJHHPEHBOAI-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327145729 954734576 /nfs/dbraw/zinc/73/45/76/954734576.db2.gz GIYQAMNUCJSBPY-HZPDHXFCSA-N 1 3 293.455 1.567 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327145729 954734590 /nfs/dbraw/zinc/73/45/90/954734590.db2.gz GIYQAMNUCJSBPY-HZPDHXFCSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001340312123 962884233 /nfs/dbraw/zinc/88/42/33/962884233.db2.gz MAYIZURVVVLHSX-OLZOCXBDSA-N 1 3 253.390 1.318 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001341677726 963507726 /nfs/dbraw/zinc/50/77/26/963507726.db2.gz RKZKOWSDXRMARV-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001341677726 963507735 /nfs/dbraw/zinc/50/77/35/963507735.db2.gz RKZKOWSDXRMARV-STQMWFEESA-N 1 3 253.390 1.128 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133276189 1163624538 /nfs/dbraw/zinc/62/45/38/1163624538.db2.gz ZTGRZIZTOODQLU-HZPDHXFCSA-N 1 3 295.471 1.979 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133275892 1163624627 /nfs/dbraw/zinc/62/46/27/1163624627.db2.gz XYPDYYSRFHQREQ-CABCVRRESA-N 1 3 281.444 1.588 20 30 CDEDHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H](O)CC1(C#N)CC1 ZINC001575453562 1171176142 /nfs/dbraw/zinc/17/61/42/1171176142.db2.gz RQZWEQHMFFXIDF-STQMWFEESA-N 1 3 253.390 1.346 20 30 CDEDHO C[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CC[NH+](C)CC1 ZINC000594439164 342906732 /nfs/dbraw/zinc/90/67/32/342906732.db2.gz SWJAPEODEWDZSQ-JSGCOSHPSA-N 1 3 280.416 1.244 20 30 CDEDHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598722610 343884298 /nfs/dbraw/zinc/88/42/98/343884298.db2.gz BXGBIRSXFCNAFJ-HUUCEWRRSA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598722610 343884300 /nfs/dbraw/zinc/88/43/00/343884300.db2.gz BXGBIRSXFCNAFJ-HUUCEWRRSA-N 1 3 281.444 1.855 20 30 CDEDHO CC(C)CN1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598722610 343884302 /nfs/dbraw/zinc/88/43/02/343884302.db2.gz BXGBIRSXFCNAFJ-HUUCEWRRSA-N 1 3 281.444 1.855 20 30 CDEDHO C[NH+]=C(NCCN1CCCCCC1)NCc1ccco1 ZINC000264102682 362968043 /nfs/dbraw/zinc/96/80/43/362968043.db2.gz ZAOVONVNENXLNQ-UHFFFAOYSA-N 1 3 278.400 1.821 20 30 CDEDHO C=CCc1cc(CN(C)CCOCC[NH3+])cc(OC)c1O ZINC000629661562 363316417 /nfs/dbraw/zinc/31/64/17/363316417.db2.gz COIYWWYBENRDAI-UHFFFAOYSA-N 1 3 294.395 1.536 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000333571174 283058890 /nfs/dbraw/zinc/05/88/90/283058890.db2.gz UDOUDZWUMXFWDX-SYAUCNOPSA-N 1 3 277.412 1.646 20 30 CDEDHO C=CCOCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683150 364396601 /nfs/dbraw/zinc/39/66/01/364396601.db2.gz HPIZXLGLNPQATC-UHFFFAOYSA-N 1 3 261.369 1.796 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417518294 377790583 /nfs/dbraw/zinc/79/05/83/377790583.db2.gz BCLBPINBANOYHO-UKRRQHHQSA-N 1 3 294.443 1.467 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417536297 377899116 /nfs/dbraw/zinc/89/91/16/377899116.db2.gz KCUHBJZXXGKIJE-ZDUSSCGKSA-N 1 3 282.432 1.182 20 30 CDEDHO C=CCN1CCC(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237594373 390857239 /nfs/dbraw/zinc/85/72/39/390857239.db2.gz OMDGMYFDQGVKDQ-HUUCEWRRSA-N 1 3 293.455 1.779 20 30 CDEDHO CN(CCCO)C1CC[NH+](CCCCC#N)CC1 ZINC000115547333 390920009 /nfs/dbraw/zinc/92/00/09/390920009.db2.gz MVVGPFNHQHMTMB-UHFFFAOYSA-N 1 3 253.390 1.459 20 30 CDEDHO CN(CCC#N)C(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339437755 391302194 /nfs/dbraw/zinc/30/21/94/391302194.db2.gz GPJRADGWFQBWNM-MRXNPFEDSA-N 1 3 292.427 1.166 20 30 CDEDHO CN(CCC#N)C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339437755 391302198 /nfs/dbraw/zinc/30/21/98/391302198.db2.gz GPJRADGWFQBWNM-MRXNPFEDSA-N 1 3 292.427 1.166 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000345855254 391320472 /nfs/dbraw/zinc/32/04/72/391320472.db2.gz WTKJYPYJBBGRSQ-OLZOCXBDSA-N 1 3 251.374 1.917 20 30 CDEDHO CC(C#N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000345855254 391320474 /nfs/dbraw/zinc/32/04/74/391320474.db2.gz WTKJYPYJBBGRSQ-OLZOCXBDSA-N 1 3 251.374 1.917 20 30 CDEDHO CN1CC[NH+]=C1NCC1CCN(Cc2cccs2)CC1 ZINC000262479814 391792073 /nfs/dbraw/zinc/79/20/73/391792073.db2.gz CUIWPEJCENREFN-UHFFFAOYSA-N 1 3 292.452 1.851 20 30 CDEDHO C[N@@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497368 263055813 /nfs/dbraw/zinc/05/58/13/263055813.db2.gz JUDHBYLHEHLRCS-JKSUJKDBSA-N 1 3 296.374 1.308 20 30 CDEDHO C[N@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279497368 263055814 /nfs/dbraw/zinc/05/58/14/263055814.db2.gz JUDHBYLHEHLRCS-JKSUJKDBSA-N 1 3 296.374 1.308 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCSCC1 ZINC000262523727 330022994 /nfs/dbraw/zinc/02/29/94/330022994.db2.gz JRFYWYWQSGRURW-CYBMUJFWSA-N 1 3 284.473 1.518 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000263154257 330046318 /nfs/dbraw/zinc/04/63/18/330046318.db2.gz MOAGURMEFUTSTE-REWJHTLYSA-N 1 3 296.459 1.435 20 30 CDEDHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](N)CCCC#N ZINC000424134336 330266669 /nfs/dbraw/zinc/26/66/69/330266669.db2.gz NJSJEBWGQOPYOF-CHWSQXEVSA-N 1 3 268.405 1.100 20 30 CDEDHO C#CCCN1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000773117491 575784111 /nfs/dbraw/zinc/78/41/11/575784111.db2.gz RFENPJJVQHJYIT-CQSZACIVSA-N 1 3 293.455 1.757 20 30 CDEDHO C=C(C[NH+](C)C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000764152709 576782564 /nfs/dbraw/zinc/78/25/64/576782564.db2.gz SUSIPKWUNFVBLP-UHFFFAOYSA-N 1 3 265.401 1.191 20 30 CDEDHO C#CC[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965062920 612954247 /nfs/dbraw/zinc/95/42/47/612954247.db2.gz IQHUNUBBYPMPJL-DPGVGJJJSA-N 1 3 289.423 1.121 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969648137 612994527 /nfs/dbraw/zinc/99/45/27/612994527.db2.gz JJWMVSJGJLSZPA-GDBMZVCRSA-N 1 3 291.439 1.319 20 30 CDEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648137 612994529 /nfs/dbraw/zinc/99/45/29/612994529.db2.gz JJWMVSJGJLSZPA-GDBMZVCRSA-N 1 3 291.439 1.319 20 30 CDEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968149202 613333456 /nfs/dbraw/zinc/33/34/56/613333456.db2.gz CQISJQQWZZRVDI-GOEBONIOSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972335088 613628162 /nfs/dbraw/zinc/62/81/62/613628162.db2.gz MTOOOIRTVMDXCH-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972335088 613628163 /nfs/dbraw/zinc/62/81/63/613628163.db2.gz MTOOOIRTVMDXCH-KGLIPLIRSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977218624 613805916 /nfs/dbraw/zinc/80/59/16/613805916.db2.gz ZQWJCQKCBZEVFK-OAHLLOKOSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961949322 613839998 /nfs/dbraw/zinc/83/99/98/613839998.db2.gz VDAKQLOHTSOUJE-QXSJWSMHSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961949322 613839999 /nfs/dbraw/zinc/83/99/99/613839999.db2.gz VDAKQLOHTSOUJE-QXSJWSMHSA-N 1 3 291.439 1.482 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000965063998 613857891 /nfs/dbraw/zinc/85/78/91/613857891.db2.gz OZJWALQIBKZWIL-DPGVGJJJSA-N 1 3 291.439 1.531 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000970785938 613867151 /nfs/dbraw/zinc/86/71/51/613867151.db2.gz KHPNNJANCLPHRQ-MRXNPFEDSA-N 1 3 287.407 1.738 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000891522924 617459598 /nfs/dbraw/zinc/45/95/98/617459598.db2.gz YCPYGXNRZSFOCV-OAHLLOKOSA-N 1 3 294.443 1.420 20 30 CDEDHO CN1CCC[N@H+](CCCNCC#Cc2ccccc2)CC1 ZINC000893316921 617561904 /nfs/dbraw/zinc/56/19/04/617561904.db2.gz BTCKJJQRMXPIDY-UHFFFAOYSA-N 1 3 285.435 1.655 20 30 CDEDHO CN1CCC[N@@H+](CCCNCC#Cc2ccccc2)CC1 ZINC000893316921 617561906 /nfs/dbraw/zinc/56/19/06/617561906.db2.gz BTCKJJQRMXPIDY-UHFFFAOYSA-N 1 3 285.435 1.655 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911726217 629443795 /nfs/dbraw/zinc/44/37/95/629443795.db2.gz RTISKHSMFXUBEV-AVGNSLFASA-N 1 3 253.390 1.174 20 30 CDEDHO CC1(C)CCNCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001576446603 1171423629 /nfs/dbraw/zinc/42/36/29/1171423629.db2.gz UGRLCKKGQHQECP-ZDUSSCGKSA-N 1 3 265.401 1.505 20 30 CDEDHO CC1(C)CCNCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001576446603 1171423633 /nfs/dbraw/zinc/42/36/33/1171423633.db2.gz UGRLCKKGQHQECP-ZDUSSCGKSA-N 1 3 265.401 1.505 20 30 CDEDHO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001700754320 1177115232 /nfs/dbraw/zinc/11/52/32/1177115232.db2.gz QEHXCPWPSFMJBL-OLZOCXBDSA-N 1 3 255.406 1.195 20 30 CDEDHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001717459258 1180680251 /nfs/dbraw/zinc/68/02/51/1180680251.db2.gz WJYQFJOCOHDVJJ-AWEZNQCLSA-N 1 3 281.444 1.424 20 30 CDEDHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001722904286 1181489126 /nfs/dbraw/zinc/48/91/26/1181489126.db2.gz CAJPQIQAIHMHJR-KGLIPLIRSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001722904286 1181489130 /nfs/dbraw/zinc/48/91/30/1181489130.db2.gz CAJPQIQAIHMHJR-KGLIPLIRSA-N 1 3 269.433 1.585 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001725171915 1181903282 /nfs/dbraw/zinc/90/32/82/1181903282.db2.gz ONRTUWNTWWEPFQ-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001725171915 1181903286 /nfs/dbraw/zinc/90/32/86/1181903286.db2.gz ONRTUWNTWWEPFQ-CABCVRRESA-N 1 3 283.460 1.975 20 30 CDEDHO C=CC[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001734607412 1183842243 /nfs/dbraw/zinc/84/22/43/1183842243.db2.gz ROJYDESLFDJUIE-HNNXBMFYSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001752842208 1184929621 /nfs/dbraw/zinc/92/96/21/1184929621.db2.gz VSLFQJHLSRRXSU-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CCC ZINC001753038077 1185004194 /nfs/dbraw/zinc/00/41/94/1185004194.db2.gz OOPGLNODVBHQAF-INIZCTEOSA-N 1 3 293.455 1.712 20 30 CDEDHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)CCC ZINC001753038077 1185004201 /nfs/dbraw/zinc/00/42/01/1185004201.db2.gz OOPGLNODVBHQAF-INIZCTEOSA-N 1 3 293.455 1.712 20 30 CDEDHO C=CCN1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732433 1185717992 /nfs/dbraw/zinc/71/79/92/1185717992.db2.gz UQCHGVPKLKRRAE-INIZCTEOSA-N 1 3 291.439 1.487 20 30 CDEDHO C=CCC[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001755136176 1185828414 /nfs/dbraw/zinc/82/84/14/1185828414.db2.gz PHTSKOGUTIHPEX-UHFFFAOYSA-N 1 3 281.444 1.873 20 30 CDEDHO C#CC[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001755861854 1186093174 /nfs/dbraw/zinc/09/31/74/1186093174.db2.gz KVUVOFVMOMVKIQ-UHFFFAOYSA-N 1 3 279.428 1.177 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076324853 844094314 /nfs/dbraw/zinc/09/43/14/844094314.db2.gz DALMVAPJBWTBGE-JKSUJKDBSA-N 1 3 291.439 1.437 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001007370195 844332527 /nfs/dbraw/zinc/33/25/27/844332527.db2.gz XGNMTXBBFFGSKD-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001007370195 844332539 /nfs/dbraw/zinc/33/25/39/844332539.db2.gz XGNMTXBBFFGSKD-OWCLPIDISA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816420 844358585 /nfs/dbraw/zinc/35/85/85/844358585.db2.gz WNNJKCYYKFMJMK-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001072816420 844358596 /nfs/dbraw/zinc/35/85/96/844358596.db2.gz WNNJKCYYKFMJMK-UHFFFAOYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014628591 844366257 /nfs/dbraw/zinc/36/62/57/844366257.db2.gz JFANWBKXHQGPIF-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014628591 844366271 /nfs/dbraw/zinc/36/62/71/844366271.db2.gz JFANWBKXHQGPIF-LSDHHAIUSA-N 1 3 279.428 1.627 20 30 CDEDHO CNC(NCC1(N2CCC(OC)CC2)CCCC1)=[NH+]C ZINC000849006360 843873670 /nfs/dbraw/zinc/87/36/70/843873670.db2.gz CGXADDZCHOZYRI-UHFFFAOYSA-N 1 3 282.432 1.205 20 30 CDEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990761259 844004369 /nfs/dbraw/zinc/00/43/69/844004369.db2.gz IGDUFBOQOZCLGY-PNBKFKSVSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990761259 844004377 /nfs/dbraw/zinc/00/43/77/844004377.db2.gz IGDUFBOQOZCLGY-PNBKFKSVSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015391723 844675532 /nfs/dbraw/zinc/67/55/32/844675532.db2.gz KCCZQBVCBXCIQP-HZPDHXFCSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001015391723 844675537 /nfs/dbraw/zinc/67/55/37/844675537.db2.gz KCCZQBVCBXCIQP-HZPDHXFCSA-N 1 3 291.439 1.627 20 30 CDEDHO C=CCC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000883176051 845123941 /nfs/dbraw/zinc/12/39/41/845123941.db2.gz UTVKVIMTFAEMBN-JYJNAYRXSA-N 1 3 282.428 1.547 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038270055 845219158 /nfs/dbraw/zinc/21/91/58/845219158.db2.gz VPVQJSBEXXVNPX-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038270055 845219171 /nfs/dbraw/zinc/21/91/71/845219171.db2.gz VPVQJSBEXXVNPX-OWCLPIDISA-N 1 3 293.455 1.873 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032589224 845221349 /nfs/dbraw/zinc/22/13/49/845221349.db2.gz YROLOPMLLWTTQA-VGWMRTNUSA-N 1 3 291.439 1.578 20 30 CDEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032589224 845221371 /nfs/dbraw/zinc/22/13/71/845221371.db2.gz YROLOPMLLWTTQA-VGWMRTNUSA-N 1 3 291.439 1.578 20 30 CDEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001074877991 845412533 /nfs/dbraw/zinc/41/25/33/845412533.db2.gz VLKNQCNEBMGWIU-IHRRRGAJSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999408553 845492003 /nfs/dbraw/zinc/49/20/03/845492003.db2.gz LHSRXOOXPBQHAV-NFOMZHRRSA-N 1 3 279.428 1.483 20 30 CDEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028765633 846156405 /nfs/dbraw/zinc/15/64/05/846156405.db2.gz BMAMFEUGSDMTAX-XHSDSOJGSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028765633 846156409 /nfs/dbraw/zinc/15/64/09/846156409.db2.gz BMAMFEUGSDMTAX-XHSDSOJGSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744427 846170191 /nfs/dbraw/zinc/17/01/91/846170191.db2.gz OWHHHSYGWIRMIL-LSDHHAIUSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008298129 846409000 /nfs/dbraw/zinc/40/90/00/846409000.db2.gz HQRQZQIAIGVRRG-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008298129 846409004 /nfs/dbraw/zinc/40/90/04/846409004.db2.gz HQRQZQIAIGVRRG-JYJNAYRXSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979799 846550704 /nfs/dbraw/zinc/55/07/04/846550704.db2.gz MBBDFSBMPZMPAG-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C#CCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001072979799 846550713 /nfs/dbraw/zinc/55/07/13/846550713.db2.gz MBBDFSBMPZMPAG-HNNXBMFYSA-N 1 3 289.423 1.028 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989448910 846939709 /nfs/dbraw/zinc/93/97/09/846939709.db2.gz ABADEPFAMJXULM-HUUCEWRRSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997010005 847318622 /nfs/dbraw/zinc/31/86/22/847318622.db2.gz QCLFGHMPONORNB-AWEZNQCLSA-N 1 3 267.417 1.483 20 30 CDEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996993745 847584464 /nfs/dbraw/zinc/58/44/64/847584464.db2.gz DJBDVMOKQLYMLD-CYBMUJFWSA-N 1 3 299.846 1.804 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020588646 847835545 /nfs/dbraw/zinc/83/55/45/847835545.db2.gz IJOGLBZXODVPCQ-DRZSPHRISA-N 1 3 285.819 1.318 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020588646 847835552 /nfs/dbraw/zinc/83/55/52/847835552.db2.gz IJOGLBZXODVPCQ-DRZSPHRISA-N 1 3 285.819 1.318 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000303908298 847880478 /nfs/dbraw/zinc/88/04/78/847880478.db2.gz XLDXHNMTGHILFW-ZIAGYGMSSA-N 1 3 284.448 1.438 20 30 CDEDHO C=CC[NH+]1CCC(NC[C@@H](O)c2ccccn2)CC1 ZINC000853100023 848014966 /nfs/dbraw/zinc/01/49/66/848014966.db2.gz YCWVTWPNNRQQOA-OAHLLOKOSA-N 1 3 261.369 1.355 20 30 CDEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106244788 913704060 /nfs/dbraw/zinc/70/40/60/913704060.db2.gz RQUXHEXEZOIWLD-ZIAGYGMSSA-N 1 3 279.428 1.341 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250047 913716610 /nfs/dbraw/zinc/71/66/10/913716610.db2.gz XDUJOQGYJPMJDG-FVQBIDKESA-N 1 3 291.439 1.034 20 30 CDEDHO CC#CC[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167225376 894907835 /nfs/dbraw/zinc/90/78/35/894907835.db2.gz SWTZCFQVLDPKAS-OAHLLOKOSA-N 1 3 291.439 1.370 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)CN(CC)CC ZINC001270058750 904312852 /nfs/dbraw/zinc/31/28/52/904312852.db2.gz LUVHRNHBULBJMO-HUUCEWRRSA-N 1 3 297.418 1.270 20 30 CDEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=N)c1ccc(F)cn1)C2 ZINC001172104373 911254944 /nfs/dbraw/zinc/25/49/44/911254944.db2.gz FERYFYBTMIZPKN-XYYAHUGASA-N 1 3 276.359 1.941 20 30 CDEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=N)c1ccc(F)cn1)C2 ZINC001172104373 911254961 /nfs/dbraw/zinc/25/49/61/911254961.db2.gz FERYFYBTMIZPKN-XYYAHUGASA-N 1 3 276.359 1.941 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698199 915589282 /nfs/dbraw/zinc/58/92/82/915589282.db2.gz BJVLJCOLNNELIY-HNNXBMFYSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179539295 915880095 /nfs/dbraw/zinc/88/00/95/915880095.db2.gz UTNDMOFKKGBKJD-PMPSAXMXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179585727 915913548 /nfs/dbraw/zinc/91/35/48/915913548.db2.gz JWODFUPLNOMFQG-HNNXBMFYSA-N 1 3 281.444 1.780 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186364567 919999726 /nfs/dbraw/zinc/99/97/26/919999726.db2.gz PZIPOIVBZJXYPH-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186364567 919999732 /nfs/dbraw/zinc/99/97/32/919999732.db2.gz PZIPOIVBZJXYPH-KBPBESRZSA-N 1 3 265.401 1.095 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346171 920982098 /nfs/dbraw/zinc/98/20/98/920982098.db2.gz CKJYQZDOCAKINZ-MRXNPFEDSA-N 1 3 291.439 1.466 20 30 CDEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203037098 936711165 /nfs/dbraw/zinc/71/11/65/936711165.db2.gz RLLAPZRIQPPFEL-HUUCEWRRSA-N 1 3 289.423 1.121 20 30 CDEDHO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674742 922133132 /nfs/dbraw/zinc/13/31/32/922133132.db2.gz CXCYMAMJMJRFTR-OAHLLOKOSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190674742 922133139 /nfs/dbraw/zinc/13/31/39/922133139.db2.gz CXCYMAMJMJRFTR-OAHLLOKOSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219481 936746457 /nfs/dbraw/zinc/74/64/57/936746457.db2.gz GONYVDVRUYOKGK-JJXSEGSLSA-N 1 3 289.423 1.073 20 30 CDEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098219481 936746458 /nfs/dbraw/zinc/74/64/58/936746458.db2.gz GONYVDVRUYOKGK-JJXSEGSLSA-N 1 3 289.423 1.073 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342670 923015944 /nfs/dbraw/zinc/01/59/44/923015944.db2.gz JOLQAHLRNDXYPV-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001192342670 923015954 /nfs/dbraw/zinc/01/59/54/923015954.db2.gz JOLQAHLRNDXYPV-CVEARBPZSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCN(C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571921 923779392 /nfs/dbraw/zinc/77/93/92/923779392.db2.gz YEMYPRRLMAZZKO-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193621576 923812741 /nfs/dbraw/zinc/81/27/41/923812741.db2.gz HXKDPBZEJBRDMZ-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001193621576 923812748 /nfs/dbraw/zinc/81/27/48/923812748.db2.gz HXKDPBZEJBRDMZ-ZDUSSCGKSA-N 1 3 253.390 1.047 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001082943576 925035771 /nfs/dbraw/zinc/03/57/71/925035771.db2.gz PNWUFJBIRPKSQE-BZUAXINKSA-N 1 3 293.455 1.873 20 30 CDEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048848 937039357 /nfs/dbraw/zinc/03/93/57/937039357.db2.gz RALJLNRNNALGDR-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048848 937039359 /nfs/dbraw/zinc/03/93/59/937039359.db2.gz RALJLNRNNALGDR-BMFZPTHFSA-N 1 3 291.439 1.034 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001086102395 926706366 /nfs/dbraw/zinc/70/63/66/926706366.db2.gz UYDHMPRWZMIXPY-ZNMIVQPWSA-N 1 3 279.428 1.531 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086217065 926839956 /nfs/dbraw/zinc/83/99/56/926839956.db2.gz MGAGIIACOPBOAV-OWCLPIDISA-N 1 3 293.455 1.920 20 30 CDEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548447 929155051 /nfs/dbraw/zinc/15/50/51/929155051.db2.gz ZRMKIJHQFPEZIW-RDJZCZTQSA-N 1 3 293.455 1.733 20 30 CDEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583804 929798041 /nfs/dbraw/zinc/79/80/41/929798041.db2.gz ORTFRNKVSVKWFJ-KGLIPLIRSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135746072 930393744 /nfs/dbraw/zinc/39/37/44/930393744.db2.gz CVAGPAHKHJNPNZ-CABCVRRESA-N 1 3 299.459 1.404 20 30 CDEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255057 937653923 /nfs/dbraw/zinc/65/39/23/937653923.db2.gz IMNUGRYOBQZPIR-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255057 937653924 /nfs/dbraw/zinc/65/39/24/937653924.db2.gz IMNUGRYOBQZPIR-LSDHHAIUSA-N 1 3 279.428 1.178 20 30 CDEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156525727 938378759 /nfs/dbraw/zinc/37/87/59/938378759.db2.gz WMCIBCURYRAONM-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156525727 938378762 /nfs/dbraw/zinc/37/87/62/938378762.db2.gz WMCIBCURYRAONM-CQSZACIVSA-N 1 3 269.433 1.731 20 30 CDEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628788 938742235 /nfs/dbraw/zinc/74/22/35/938742235.db2.gz QJFQZLMSYBXBEE-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628788 938742236 /nfs/dbraw/zinc/74/22/36/938742236.db2.gz QJFQZLMSYBXBEE-INIZCTEOSA-N 1 3 291.439 1.795 20 30 CDEDHO CN(C)C1(CNc2cc(C#N)cc(C#N)c2)CC[NH+](C)CC1 ZINC001164213097 939430924 /nfs/dbraw/zinc/43/09/24/939430924.db2.gz OALVZGRQAHZDMP-UHFFFAOYSA-N 1 3 297.406 1.868 20 30 CDEDHO CN(C)/C=N/c1ccc(N2CC[C@H]([NH3+])C2)cc1C#N ZINC001164285968 939446638 /nfs/dbraw/zinc/44/66/38/939446638.db2.gz BWDQNFYCRUPNNL-VAKHEIKFSA-N 1 3 257.341 1.317 20 30 CDEDHO C=CCC[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464870 939566583 /nfs/dbraw/zinc/56/65/83/939566583.db2.gz NUVVJQWHPHBKMK-UHFFFAOYSA-N 1 3 293.455 1.923 20 30 CDEDHO C=CCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203715071 939701612 /nfs/dbraw/zinc/70/16/12/939701612.db2.gz ZPEXYWJXKWWGES-UHFFFAOYSA-N 1 3 265.401 1.239 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954320 940117274 /nfs/dbraw/zinc/11/72/74/940117274.db2.gz DJBLDBQFUYUFMF-UHFFFAOYSA-N 1 3 279.428 1.178 20 30 CDEDHO C[NH+](C)CC(C)(C)CN1CCC2SC(=O)C=C2C1 ZINC001207278917 940174421 /nfs/dbraw/zinc/17/44/21/940174421.db2.gz HAMIRBRPAZIICM-GFCCVEGCSA-N 1 3 268.426 1.848 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210421108 940690045 /nfs/dbraw/zinc/69/00/45/940690045.db2.gz MHDOREYQNBXDED-ZIAGYGMSSA-N 1 3 267.417 1.341 20 30 CDEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844914 940969400 /nfs/dbraw/zinc/96/94/00/940969400.db2.gz NYVOWCMWIBWEEV-OAGGEKHMSA-N 1 3 291.439 1.321 20 30 CDEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(CC#N)c1 ZINC001218987141 941297534 /nfs/dbraw/zinc/29/75/34/941297534.db2.gz CWWPUAPFMMVDNC-HNNXBMFYSA-N 1 3 288.395 1.750 20 30 CDEDHO CC#CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472973 941680135 /nfs/dbraw/zinc/68/01/35/941680135.db2.gz ZFVFGJBJNLFOAK-INIZCTEOSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227797899 942226754 /nfs/dbraw/zinc/22/67/54/942226754.db2.gz OVLIXXPEAIQZOZ-MRXNPFEDSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956753 942636670 /nfs/dbraw/zinc/63/66/70/942636670.db2.gz KRNGKRCUPIOWLC-KGLIPLIRSA-N 1 3 267.417 1.435 20 30 CDEDHO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001281956753 942636675 /nfs/dbraw/zinc/63/66/75/942636675.db2.gz KRNGKRCUPIOWLC-KGLIPLIRSA-N 1 3 267.417 1.435 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001265435514 944387553 /nfs/dbraw/zinc/38/75/53/944387553.db2.gz IJPRWIVVJPZVEC-GJZGRUSLSA-N 1 3 281.444 1.729 20 30 CDEDHO C#CCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256860968 948437317 /nfs/dbraw/zinc/43/73/17/948437317.db2.gz JHAXBLIEOHSIPH-UHFFFAOYSA-N 1 3 284.407 1.301 20 30 CDEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccccc2)CC1 ZINC001338491677 961837546 /nfs/dbraw/zinc/83/75/46/961837546.db2.gz LRQXGVPTFJKWNL-QGZVFWFLSA-N 1 3 272.392 1.797 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340351159 962903199 /nfs/dbraw/zinc/90/31/99/962903199.db2.gz NHMCEYCKFKSOOL-ZIAGYGMSSA-N 1 3 267.417 1.613 20 30 CDEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C ZINC001343303364 963947089 /nfs/dbraw/zinc/94/70/89/963947089.db2.gz WGMIQNKOLOQZOD-STQMWFEESA-N 1 3 253.390 1.271 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407879 968265307 /nfs/dbraw/zinc/26/53/07/968265307.db2.gz NAJZKINJMOTMNM-BCLQGDPASA-N 1 3 293.455 1.777 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200796521 968922536 /nfs/dbraw/zinc/92/25/36/968922536.db2.gz ZMEURLJAMYSBFH-HUUCEWRRSA-N 1 3 297.443 1.110 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001357491377 969607716 /nfs/dbraw/zinc/60/77/16/969607716.db2.gz XDVVVTDSMCDYET-HIFRSBDPSA-N 1 3 281.444 1.859 20 30 CDEDHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=CCN(C)CC1 ZINC000598724033 343885303 /nfs/dbraw/zinc/88/53/03/343885303.db2.gz LGXYCVBHLWBYEJ-JSGCOSHPSA-N 1 3 265.401 1.527 20 30 CDEDHO CC[C@@H](CNC(NCc1ccco1)=[NH+]C)N1CCCC1 ZINC000264050918 362952408 /nfs/dbraw/zinc/95/24/08/362952408.db2.gz MJSMRTWYSRFTNZ-ZDUSSCGKSA-N 1 3 278.400 1.819 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccnc1 ZINC000264076567 362959043 /nfs/dbraw/zinc/95/90/43/362959043.db2.gz HNWYYPMFBZRJFY-CQSZACIVSA-N 1 3 275.400 1.013 20 30 CDEDHO COCCNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264107354 362969650 /nfs/dbraw/zinc/96/96/50/362969650.db2.gz OBEIRRFRKPWUCK-UHFFFAOYSA-N 1 3 292.427 1.578 20 30 CDEDHO C=CCC[C@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000245947662 360772596 /nfs/dbraw/zinc/77/25/96/360772596.db2.gz BREHVUSXCXTUNC-INIZCTEOSA-N 1 3 283.460 1.271 20 30 CDEDHO C=CCC[C@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000245947662 360772601 /nfs/dbraw/zinc/77/26/01/360772601.db2.gz BREHVUSXCXTUNC-INIZCTEOSA-N 1 3 283.460 1.271 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247444500 361094708 /nfs/dbraw/zinc/09/47/08/361094708.db2.gz SGNRBOMHJDHAGO-GDBMZVCRSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247444500 361094713 /nfs/dbraw/zinc/09/47/13/361094713.db2.gz SGNRBOMHJDHAGO-GDBMZVCRSA-N 1 3 291.439 1.177 20 30 CDEDHO CN(CCC#N)C(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375760556 364726663 /nfs/dbraw/zinc/72/66/63/364726663.db2.gz FZUCCPCGPQXMGA-YIONKMFJSA-N 1 3 292.427 1.306 20 30 CDEDHO CN(CCC#N)C(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375760556 364726665 /nfs/dbraw/zinc/72/66/65/364726665.db2.gz FZUCCPCGPQXMGA-YIONKMFJSA-N 1 3 292.427 1.306 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000358810018 367906520 /nfs/dbraw/zinc/90/65/20/367906520.db2.gz IFWKJEHCDBNIHN-CQSZACIVSA-N 1 3 296.459 1.666 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000065412482 368295119 /nfs/dbraw/zinc/29/51/19/368295119.db2.gz LDDJLOHPPCFGTC-UHFFFAOYSA-N 1 3 277.412 1.774 20 30 CDEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000132339059 375503914 /nfs/dbraw/zinc/50/39/14/375503914.db2.gz HSGSZCIMELVRMW-HUUCEWRRSA-N 1 3 254.418 1.977 20 30 CDEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000132339059 375503921 /nfs/dbraw/zinc/50/39/21/375503921.db2.gz HSGSZCIMELVRMW-HUUCEWRRSA-N 1 3 254.418 1.977 20 30 CDEDHO C=C[C@H](CO)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000289873335 378351263 /nfs/dbraw/zinc/35/12/63/378351263.db2.gz RPKWUOOTQMEBQS-UKRRQHHQSA-N 1 3 278.396 1.825 20 30 CDEDHO CN(C)CCOc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000104163117 390485852 /nfs/dbraw/zinc/48/58/52/390485852.db2.gz BAZXUEJPMGRJKR-UHFFFAOYSA-N 1 3 292.427 1.830 20 30 CDEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350953515 391013818 /nfs/dbraw/zinc/01/38/18/391013818.db2.gz WKPUKEQXFPFKMH-HNNXBMFYSA-N 1 3 293.455 1.849 20 30 CDEDHO C#CCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373076845 391104689 /nfs/dbraw/zinc/10/46/89/391104689.db2.gz WPBLXWSTAZGGMG-ZIAGYGMSSA-N 1 3 250.386 1.441 20 30 CDEDHO C[C@H]1C[NH+]=C(NCC2CCN(c3ccncc3)CC2)N1 ZINC000262665297 391809342 /nfs/dbraw/zinc/80/93/42/391809342.db2.gz OKLFCWHOLNAKFW-LBPRGKRZSA-N 1 3 273.384 1.235 20 30 CDEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000262690841 131251771 /nfs/dbraw/zinc/25/17/71/131251771.db2.gz ZKETVNLKVABJOF-OWCLPIDISA-N 1 3 293.455 1.929 20 30 CDEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273316279 263015478 /nfs/dbraw/zinc/01/54/78/263015478.db2.gz DLEQFISJFSRYTA-UHFFFAOYSA-N 1 3 290.411 1.536 20 30 CDEDHO C=CCOc1ccc(CNC[C@H](C)C[NH3+])cc1OC ZINC000414892053 263102570 /nfs/dbraw/zinc/10/25/70/263102570.db2.gz WSVAIFIBJOFSHO-GFCCVEGCSA-N 1 3 264.369 1.944 20 30 CDEDHO C=CCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290786 423920378 /nfs/dbraw/zinc/92/03/78/423920378.db2.gz KKRJTRHPGLTKHN-UKRRQHHQSA-N 1 3 279.428 1.389 20 30 CDEDHO CNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000172838238 329139221 /nfs/dbraw/zinc/13/92/21/329139221.db2.gz MRZKVRAHCQLEDS-JQWIXIFHSA-N 1 3 266.414 1.665 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000134596534 329659787 /nfs/dbraw/zinc/65/97/87/329659787.db2.gz ILRVJADZJVUDIE-HNNXBMFYSA-N 1 3 265.401 1.285 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262432009 330010288 /nfs/dbraw/zinc/01/02/88/330010288.db2.gz SPAYPZHXLJWMHL-RYUDHWBXSA-N 1 3 270.446 1.271 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@]1(C)C(C)C ZINC000263072300 330042193 /nfs/dbraw/zinc/04/21/93/330042193.db2.gz GWFZXJUUICTGOW-IPYPFGDCSA-N 1 3 266.433 1.810 20 30 CDEDHO C=CC[C@H](CO)CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423014524 330165268 /nfs/dbraw/zinc/16/52/68/330165268.db2.gz INKBBMKFSAULPX-KBMXLJTQSA-N 1 3 262.397 1.719 20 30 CDEDHO N#CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000424078848 330221385 /nfs/dbraw/zinc/22/13/85/330221385.db2.gz QKQPQSKBSRMELT-OLZOCXBDSA-N 1 3 266.389 1.031 20 30 CDEDHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424132421 330264940 /nfs/dbraw/zinc/26/49/40/330264940.db2.gz KNCHYRYKRBJBJN-HNNXBMFYSA-N 1 3 294.443 1.588 20 30 CDEDHO CC[NH+]1CCC(CCNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424136250 330272343 /nfs/dbraw/zinc/27/23/43/330272343.db2.gz AEXJLJDARPASRM-CQSZACIVSA-N 1 3 280.416 1.246 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000424139302 330278985 /nfs/dbraw/zinc/27/89/85/330278985.db2.gz ADLXGOGTNNLASA-KGLIPLIRSA-N 1 3 278.400 1.094 20 30 CDEDHO C[C@@H]1CCC[C@@](CNC(=O)[C@H](N)CCCC#N)([NH+](C)C)C1 ZINC000424164193 330308225 /nfs/dbraw/zinc/30/82/25/330308225.db2.gz YMADJSPKQRKGNG-IIAWOOMASA-N 1 3 294.443 1.634 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491692039 332288540 /nfs/dbraw/zinc/28/85/40/332288540.db2.gz HPKIWWXIDNGPEX-CABCVRRESA-N 1 3 294.443 1.066 20 30 CDEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491692039 332288541 /nfs/dbraw/zinc/28/85/41/332288541.db2.gz HPKIWWXIDNGPEX-CABCVRRESA-N 1 3 294.443 1.066 20 30 CDEDHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001754920214 1159488383 /nfs/dbraw/zinc/48/83/83/1159488383.db2.gz XBDXLIPULUDOJC-HNNXBMFYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669465265 483172979 /nfs/dbraw/zinc/17/29/79/483172979.db2.gz OEUQCXGGVLGVMQ-DZGCQCFKSA-N 1 3 292.427 1.030 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971201496 613289790 /nfs/dbraw/zinc/28/97/90/613289790.db2.gz OKYDBNJBWOFABT-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971201496 613289792 /nfs/dbraw/zinc/28/97/92/613289792.db2.gz OKYDBNJBWOFABT-KBPBESRZSA-N 1 3 265.401 1.189 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970747188 613298728 /nfs/dbraw/zinc/29/87/28/613298728.db2.gz TYMXGJZEHUEFFT-CYBMUJFWSA-N 1 3 277.412 1.095 20 30 CDEDHO C=C(C)CN1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248183 1163210815 /nfs/dbraw/zinc/21/08/15/1163210815.db2.gz CRBJARMAVIAXDZ-CABCVRRESA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)CN1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423892 1163277076 /nfs/dbraw/zinc/27/70/76/1163277076.db2.gz CPUIQZKWAJJMRK-LSDHHAIUSA-N 1 3 297.443 1.110 20 30 CDEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133183373 1163599117 /nfs/dbraw/zinc/59/91/17/1163599117.db2.gz ZMACWHLFPOZVKW-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001755029752 1185791167 /nfs/dbraw/zinc/79/11/67/1185791167.db2.gz PXFDTBDZNAYLGE-HZPDHXFCSA-N 1 3 293.455 1.711 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001755311706 1185910951 /nfs/dbraw/zinc/91/09/51/1185910951.db2.gz ULSWXEXRFYMJMZ-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001755311706 1185910956 /nfs/dbraw/zinc/91/09/56/1185910956.db2.gz ULSWXEXRFYMJMZ-CQSZACIVSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022809250 697810769 /nfs/dbraw/zinc/81/07/69/697810769.db2.gz HSIBZVOPZAMBKS-OKILXGFUSA-N 1 3 299.846 1.708 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834343 698561494 /nfs/dbraw/zinc/56/14/94/698561494.db2.gz SZLZGUXNPPRWCA-OAHLLOKOSA-N 1 3 277.412 1.095 20 30 CDEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033834351 698830713 /nfs/dbraw/zinc/83/07/13/698830713.db2.gz OZXYIAYERQSCOO-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033834351 698830715 /nfs/dbraw/zinc/83/07/15/698830715.db2.gz OZXYIAYERQSCOO-OWCLPIDISA-N 1 3 291.439 1.273 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989480843 705006694 /nfs/dbraw/zinc/00/66/94/705006694.db2.gz MBESIYKJHYUOMA-OAHLLOKOSA-N 1 3 279.428 1.439 20 30 CDEDHO C=C(C)CN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989480843 705006702 /nfs/dbraw/zinc/00/67/02/705006702.db2.gz MBESIYKJHYUOMA-OAHLLOKOSA-N 1 3 279.428 1.439 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(C)C)C2)CC1 ZINC001023128224 705028594 /nfs/dbraw/zinc/02/85/94/705028594.db2.gz VFJIVCRYLMZEIY-IYBDPMFKSA-N 1 3 291.439 1.224 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001401173 705033326 /nfs/dbraw/zinc/03/33/26/705033326.db2.gz BXQKBVGJVMBUFM-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001401173 705033334 /nfs/dbraw/zinc/03/33/34/705033334.db2.gz BXQKBVGJVMBUFM-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035797264 848450694 /nfs/dbraw/zinc/45/06/94/848450694.db2.gz HFYZJHPKMGAPPP-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035797264 848450702 /nfs/dbraw/zinc/45/07/02/848450702.db2.gz HFYZJHPKMGAPPP-HNNXBMFYSA-N 1 3 291.439 1.581 20 30 CDEDHO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000998995922 848815891 /nfs/dbraw/zinc/81/58/91/848815891.db2.gz WEPFMVOGBDSEDR-JXQTWKCFSA-N 1 3 299.846 1.802 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533053 848925763 /nfs/dbraw/zinc/92/57/63/848925763.db2.gz LZVSJPMWFQOULQ-OAGGEKHMSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533053 848925769 /nfs/dbraw/zinc/92/57/69/848925769.db2.gz LZVSJPMWFQOULQ-OAGGEKHMSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533053 848925777 /nfs/dbraw/zinc/92/57/77/848925777.db2.gz LZVSJPMWFQOULQ-OAGGEKHMSA-N 1 3 293.455 1.824 20 30 CDEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023376937 849292763 /nfs/dbraw/zinc/29/27/63/849292763.db2.gz BZCJYTXVYHJITL-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023376937 849292775 /nfs/dbraw/zinc/29/27/75/849292775.db2.gz BZCJYTXVYHJITL-BZUAXINKSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001031666614 849332755 /nfs/dbraw/zinc/33/27/55/849332755.db2.gz QRILSBPNCZCEBS-OAHLLOKOSA-N 1 3 279.428 1.483 20 30 CDEDHO C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001054664286 849551706 /nfs/dbraw/zinc/55/17/06/849551706.db2.gz XRJOGXZSUANRTJ-CABCVRRESA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000876718671 849665531 /nfs/dbraw/zinc/66/55/31/849665531.db2.gz YCXATYLLNAWMHS-CQSZACIVSA-N 1 3 295.814 1.834 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209634088 894796856 /nfs/dbraw/zinc/79/68/56/894796856.db2.gz ZZNZVARGXGPJDA-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189653846 921609206 /nfs/dbraw/zinc/60/92/06/921609206.db2.gz ZIOBVIRBUSGUAL-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189653846 921609207 /nfs/dbraw/zinc/60/92/07/921609207.db2.gz ZIOBVIRBUSGUAL-UONOGXRCSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001127082309 911317256 /nfs/dbraw/zinc/31/72/56/911317256.db2.gz PJBXXQJVNFMZNZ-AWEZNQCLSA-N 1 3 267.417 1.531 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181800760 917383822 /nfs/dbraw/zinc/38/38/22/917383822.db2.gz AEPWYXRXBICDLR-HLLBOEOZSA-N 1 3 295.471 1.833 20 30 CDEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183517122 918508082 /nfs/dbraw/zinc/50/80/82/918508082.db2.gz QDXGYUUJFQOBDE-NVXWUHKLSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185361332 919546214 /nfs/dbraw/zinc/54/62/14/919546214.db2.gz YHKKQOGKWHYLTB-JKSUJKDBSA-N 1 3 293.455 1.426 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001186074907 919857969 /nfs/dbraw/zinc/85/79/69/919857969.db2.gz KQZIUDOMGVDRDJ-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098393864 936750254 /nfs/dbraw/zinc/75/02/54/936750254.db2.gz FEVLCCLWTACSHV-TUVASFSCSA-N 1 3 277.412 1.236 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098393864 936750256 /nfs/dbraw/zinc/75/02/56/936750256.db2.gz FEVLCCLWTACSHV-TUVASFSCSA-N 1 3 277.412 1.236 20 30 CDEDHO C=CCCCCC[C@H](N)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219243 936930422 /nfs/dbraw/zinc/93/04/22/936930422.db2.gz PCOSXHJLHSHTHI-RFQIPJPRSA-N 1 3 265.401 1.126 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC/C=C/CC)CC1 ZINC001152323945 925103362 /nfs/dbraw/zinc/10/33/62/925103362.db2.gz IBPSZXFYVHJSAB-AATRIKPKSA-N 1 3 291.439 1.394 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085784336 926395020 /nfs/dbraw/zinc/39/50/20/926395020.db2.gz RJUXTFVCYLDSBH-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085784336 926395024 /nfs/dbraw/zinc/39/50/24/926395024.db2.gz RJUXTFVCYLDSBH-HRCADAONSA-N 1 3 293.455 1.826 20 30 CDEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCC)C2 ZINC001108803097 928637171 /nfs/dbraw/zinc/63/71/71/928637171.db2.gz WJZCDYZOBVKMCP-XHSDSOJGSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583805 929798239 /nfs/dbraw/zinc/79/82/39/929798239.db2.gz ORTFRNKVSVKWFJ-UONOGXRCSA-N 1 3 281.444 1.920 20 30 CDEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900598 937687087 /nfs/dbraw/zinc/68/70/87/937687087.db2.gz ZZIQHVRBPPUHCJ-OAHLLOKOSA-N 1 3 299.459 1.357 20 30 CDEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900598 937687089 /nfs/dbraw/zinc/68/70/89/937687089.db2.gz ZZIQHVRBPPUHCJ-OAHLLOKOSA-N 1 3 299.459 1.357 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC001121909956 937889366 /nfs/dbraw/zinc/88/93/66/937889366.db2.gz DMIPJUPEUSONNX-KGLIPLIRSA-N 1 3 267.417 1.518 20 30 CDEDHO CC#CCN(CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098677 938454168 /nfs/dbraw/zinc/45/41/68/938454168.db2.gz SCMLXDOUNKFWDV-MRXNPFEDSA-N 1 3 293.455 1.712 20 30 CDEDHO N#Cc1c2c(sc1N=C1CCC[NH2+]CC1)CNCC2 ZINC001159159698 938706837 /nfs/dbraw/zinc/70/68/37/938706837.db2.gz OREQFWCHSHRWPG-UHFFFAOYSA-N 1 3 274.393 1.945 20 30 CDEDHO C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160405915 938785021 /nfs/dbraw/zinc/78/50/21/938785021.db2.gz FPTNAQRCAAWIID-INIZCTEOSA-N 1 3 293.455 1.897 20 30 CDEDHO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001160405915 938785022 /nfs/dbraw/zinc/78/50/22/938785022.db2.gz FPTNAQRCAAWIID-INIZCTEOSA-N 1 3 293.455 1.897 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866934 938834654 /nfs/dbraw/zinc/83/46/54/938834654.db2.gz DNHDSYPLPXIVOW-ZIAGYGMSSA-N 1 3 299.846 1.852 20 30 CDEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866934 938834655 /nfs/dbraw/zinc/83/46/55/938834655.db2.gz DNHDSYPLPXIVOW-ZIAGYGMSSA-N 1 3 299.846 1.852 20 30 CDEDHO C#CCN1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021052 938857857 /nfs/dbraw/zinc/85/78/57/938857857.db2.gz KCDJTNJMBWELRF-UHFFFAOYSA-N 1 3 289.423 1.100 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc(CC#N)c(C)n1 ZINC001163129023 939207418 /nfs/dbraw/zinc/20/74/18/939207418.db2.gz RWPDWQTTXIYVNI-UHFFFAOYSA-N 1 3 288.399 1.734 20 30 CDEDHO COc1cc(C#N)ccc1CN1CCC(C[NH3+])CC1 ZINC001205046726 939818184 /nfs/dbraw/zinc/81/81/84/939818184.db2.gz KCXZHFLHLCBJBO-UHFFFAOYSA-N 1 3 259.353 1.738 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469502 939892681 /nfs/dbraw/zinc/89/26/81/939892681.db2.gz ISRNCLYGQHNBLX-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO C#CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206175768 939992169 /nfs/dbraw/zinc/99/21/69/939992169.db2.gz BDKIHEZFURWOKG-OAHLLOKOSA-N 1 3 279.428 1.034 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206176957 939992262 /nfs/dbraw/zinc/99/22/62/939992262.db2.gz WOCVINKDGMULKG-MRXNPFEDSA-N 1 3 293.455 1.424 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274508 940010325 /nfs/dbraw/zinc/01/03/25/940010325.db2.gz ISUFNLGUOZOQBI-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274640 940010428 /nfs/dbraw/zinc/01/04/28/940010428.db2.gz KVGSFEGDSLVLKM-CQSZACIVSA-N 1 3 279.428 1.485 20 30 CDEDHO CC#CC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331612 940321070 /nfs/dbraw/zinc/32/10/70/940321070.db2.gz VDIUCUYNZWQJDC-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCC[C@H](C)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258732738 945397446 /nfs/dbraw/zinc/39/74/46/945397446.db2.gz POMPSSXDEKHPOJ-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO C=CCC[C@H](C)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001258732738 945397457 /nfs/dbraw/zinc/39/74/57/945397457.db2.gz POMPSSXDEKHPOJ-AWEZNQCLSA-N 1 3 267.417 1.437 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210283629 940678397 /nfs/dbraw/zinc/67/83/97/940678397.db2.gz QBYYCRAWHNSVTL-INIZCTEOSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215557796 940894157 /nfs/dbraw/zinc/89/41/57/940894157.db2.gz CWAUBCOCCLEVJE-ZIAGYGMSSA-N 1 3 281.444 1.587 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218871712 941281960 /nfs/dbraw/zinc/28/19/60/941281960.db2.gz QHVHJWUECLMGJY-ABAIWWIYSA-N 1 3 286.379 1.579 20 30 CDEDHO CC(C)(NC(=O)[C@@H](N)CCCC[NH3+])c1ccc(C#N)cc1 ZINC001219989846 941402277 /nfs/dbraw/zinc/40/22/77/941402277.db2.gz RYACHGHDYFZTAB-AWEZNQCLSA-N 1 3 288.395 1.366 20 30 CDEDHO C=CCCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220484875 941450785 /nfs/dbraw/zinc/45/07/85/941450785.db2.gz YMRBDDPJTRWULY-ZDUSSCGKSA-N 1 3 255.406 1.564 20 30 CDEDHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC001277951534 944189714 /nfs/dbraw/zinc/18/97/14/944189714.db2.gz LDSPKFWUPQWANH-MQVJKMGUSA-N 1 3 278.444 1.827 20 30 CDEDHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC#N ZINC001277951534 944189716 /nfs/dbraw/zinc/18/97/16/944189716.db2.gz LDSPKFWUPQWANH-MQVJKMGUSA-N 1 3 278.444 1.827 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258719332 945389961 /nfs/dbraw/zinc/38/99/61/945389961.db2.gz BATSZBCFYAIFAH-OAHLLOKOSA-N 1 3 253.434 1.957 20 30 CDEDHO C=C[C@@](C)(O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001252580279 951473639 /nfs/dbraw/zinc/47/36/39/951473639.db2.gz BPUMSWOVDXYLRJ-OAHLLOKOSA-N 1 3 252.402 1.920 20 30 CDEDHO C=C[C@@](C)(O)CNC1CC[NH+](C2CCCC2)CC1 ZINC001252580279 951473649 /nfs/dbraw/zinc/47/36/49/951473649.db2.gz BPUMSWOVDXYLRJ-OAHLLOKOSA-N 1 3 252.402 1.920 20 30 CDEDHO CC(C)(C)[NH2+]C[C@@H](O)CN1CCC2SC(=O)C=C2C1 ZINC001253389338 951873176 /nfs/dbraw/zinc/87/31/76/951873176.db2.gz ZQMVVVDJBTVCLI-NEPJUHHUSA-N 1 3 284.425 1.010 20 30 CDEDHO C=C[C@H](O)CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253581048 951971359 /nfs/dbraw/zinc/97/13/59/951971359.db2.gz GDSVCHLEHDEPAQ-CABCVRRESA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253581048 951971364 /nfs/dbraw/zinc/97/13/64/951971364.db2.gz GDSVCHLEHDEPAQ-CABCVRRESA-N 1 3 252.402 1.874 20 30 CDEDHO C=C[C@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253581048 951971368 /nfs/dbraw/zinc/97/13/68/951971368.db2.gz GDSVCHLEHDEPAQ-CABCVRRESA-N 1 3 252.402 1.874 20 30 CDEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001324235001 961250089 /nfs/dbraw/zinc/25/00/89/961250089.db2.gz KGJQDQDUZMXKLJ-DZGCQCFKSA-N 1 3 290.411 1.888 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676020 968926846 /nfs/dbraw/zinc/92/68/46/968926846.db2.gz HHBFGRCQKOHJOM-QQFBHYJXSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CCC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678692 968932165 /nfs/dbraw/zinc/93/21/65/968932165.db2.gz TYGCXBBJHQGFPI-WLYUNCDWSA-N 1 3 279.428 1.389 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888919 1163501654 /nfs/dbraw/zinc/50/16/54/1163501654.db2.gz SUPDNDDQNOZXIO-CABCVRRESA-N 1 3 291.439 1.178 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133434165 1163721428 /nfs/dbraw/zinc/72/14/28/1163721428.db2.gz JKSQVBGDNXIKCK-CYBMUJFWSA-N 1 3 255.406 1.245 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCNC3)CC2)cc1 ZINC000591576991 342637592 /nfs/dbraw/zinc/63/75/92/342637592.db2.gz VYUPOQQQSLKJGP-SFHVURJKSA-N 1 3 298.434 1.864 20 30 CDEDHO N#Cc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000591576991 342637593 /nfs/dbraw/zinc/63/75/93/342637593.db2.gz VYUPOQQQSLKJGP-SFHVURJKSA-N 1 3 298.434 1.864 20 30 CDEDHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598718388 343882742 /nfs/dbraw/zinc/88/27/42/343882742.db2.gz AVASOMSYCUSHIS-UONOGXRCSA-N 1 3 267.417 1.609 20 30 CDEDHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598718388 343882746 /nfs/dbraw/zinc/88/27/46/343882746.db2.gz AVASOMSYCUSHIS-UONOGXRCSA-N 1 3 267.417 1.609 20 30 CDEDHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598718388 343882748 /nfs/dbraw/zinc/88/27/48/343882748.db2.gz AVASOMSYCUSHIS-UONOGXRCSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@@H](CCC#N)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000602476684 344444704 /nfs/dbraw/zinc/44/47/04/344444704.db2.gz UQOLWRMLDWDMKF-AWEZNQCLSA-N 1 3 267.417 1.969 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@H](C)[NH2+]CCC)CC1 ZINC000449123117 362626049 /nfs/dbraw/zinc/62/60/49/362626049.db2.gz MQKTUIVVCMKXEX-GFCCVEGCSA-N 1 3 253.390 1.141 20 30 CDEDHO CC[C@H](C)NC(=[NH2+])NCc1ccc(OCCN(C)C)cc1 ZINC000264100167 362967354 /nfs/dbraw/zinc/96/73/54/362967354.db2.gz MNWPCQCSNXGDDW-ZDUSSCGKSA-N 1 3 292.427 1.830 20 30 CDEDHO CN(C)C(=[NH+]CCCN(C)Cc1ccccc1)N(C)C ZINC000264107421 362969386 /nfs/dbraw/zinc/96/93/86/362969386.db2.gz OCKORTLQINXMNR-UHFFFAOYSA-N 1 3 276.428 1.988 20 30 CDEDHO CN1CCC(O)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353235570 282713020 /nfs/dbraw/zinc/71/30/20/282713020.db2.gz BWWVFZZWIQYSKN-MRXNPFEDSA-N 1 3 285.391 1.592 20 30 CDEDHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000567608586 371062604 /nfs/dbraw/zinc/06/26/04/371062604.db2.gz CSEVNHBWNASPRE-HNNXBMFYSA-N 1 3 294.443 1.586 20 30 CDEDHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000567608586 371062606 /nfs/dbraw/zinc/06/26/06/371062606.db2.gz CSEVNHBWNASPRE-HNNXBMFYSA-N 1 3 294.443 1.586 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417532859 377866065 /nfs/dbraw/zinc/86/60/65/377866065.db2.gz FQDJGPDYKWSXBE-UHFFFAOYSA-N 1 3 294.443 1.407 20 30 CDEDHO C=C[C@@H](CO)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000289995669 378357146 /nfs/dbraw/zinc/35/71/46/378357146.db2.gz YUGNFAVVXBPBOQ-ZFWWWQNUSA-N 1 3 278.396 1.825 20 30 CDEDHO N#Cc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000383522354 378660648 /nfs/dbraw/zinc/66/06/48/378660648.db2.gz IPSGCPLKVSWBDJ-MRXNPFEDSA-N 1 3 270.380 1.038 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309667231 391267621 /nfs/dbraw/zinc/26/76/21/391267621.db2.gz ACKDZMXOAWMUPN-ZFWWWQNUSA-N 1 3 271.364 1.784 20 30 CDEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309667231 391267626 /nfs/dbraw/zinc/26/76/26/391267626.db2.gz ACKDZMXOAWMUPN-ZFWWWQNUSA-N 1 3 271.364 1.784 20 30 CDEDHO N#Cc1ccc(N2CCC(NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000423321632 392962401 /nfs/dbraw/zinc/96/24/01/392962401.db2.gz NFXUFJCYHLKPSP-QGZVFWFLSA-N 1 3 284.407 1.854 20 30 CDEDHO N#Cc1ccc(CN2CCC([NH2+]CC3(N)CCC3)CC2)cc1 ZINC000423322827 392963019 /nfs/dbraw/zinc/96/30/19/392963019.db2.gz ITCJYNIHCPQENT-UHFFFAOYSA-N 1 3 298.434 1.994 20 30 CDEDHO N#Cc1ccc(CN2CCC(NCC3([NH3+])CCC3)CC2)cc1 ZINC000423322827 392963024 /nfs/dbraw/zinc/96/30/24/392963024.db2.gz ITCJYNIHCPQENT-UHFFFAOYSA-N 1 3 298.434 1.994 20 30 CDEDHO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)C#N)CC1 ZINC000347491732 226165591 /nfs/dbraw/zinc/16/55/91/226165591.db2.gz KOWHGQWICDQXJS-CQSZACIVSA-N 1 3 295.427 1.743 20 30 CDEDHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(C)C#N)CC1 ZINC000347491732 226165594 /nfs/dbraw/zinc/16/55/94/226165594.db2.gz KOWHGQWICDQXJS-CQSZACIVSA-N 1 3 295.427 1.743 20 30 CDEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000333571171 228205344 /nfs/dbraw/zinc/20/53/44/228205344.db2.gz UDOUDZWUMXFWDX-BVUBDWEXSA-N 1 3 277.412 1.646 20 30 CDEDHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000448422558 261150120 /nfs/dbraw/zinc/15/01/20/261150120.db2.gz YFBJIQFOIZNCAY-CHWSQXEVSA-N 1 3 251.374 1.630 20 30 CDEDHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000448422558 261150121 /nfs/dbraw/zinc/15/01/21/261150121.db2.gz YFBJIQFOIZNCAY-CHWSQXEVSA-N 1 3 251.374 1.630 20 30 CDEDHO C[NH+]=C(NCc1ccn(C)c1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158524329 261166264 /nfs/dbraw/zinc/16/62/64/261166264.db2.gz JVKKOFZEOPOVKF-ZFWWWQNUSA-N 1 3 291.443 1.419 20 30 CDEDHO C[NH+](C)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279332569 263054839 /nfs/dbraw/zinc/05/48/39/263054839.db2.gz AXLPKEPUYQQEIU-HNNXBMFYSA-N 1 3 298.390 1.697 20 30 CDEDHO CSC1(CNC[C@@H](C#N)CCC#N)CC[NH+](C)CC1 ZINC000562911320 327524013 /nfs/dbraw/zinc/52/40/13/327524013.db2.gz KMQZXJMKDITIMI-CYBMUJFWSA-N 1 3 280.441 1.847 20 30 CDEDHO CN(C)CC1(CNC(=[NH2+])NC2CCC2)CCCC1 ZINC000263035099 330039955 /nfs/dbraw/zinc/03/99/55/330039955.db2.gz BSCUJBZNRSNJRU-UHFFFAOYSA-N 1 3 252.406 1.565 20 30 CDEDHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424188802 330322094 /nfs/dbraw/zinc/32/20/94/330322094.db2.gz JXZGUTYZLVNCKO-HNNXBMFYSA-N 1 3 288.395 1.386 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899455 1161037630 /nfs/dbraw/zinc/03/76/30/1161037630.db2.gz HIHIEQQRPHEPCE-HIFRSBDPSA-N 1 3 279.428 1.483 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000334906752 526430704 /nfs/dbraw/zinc/43/07/04/526430704.db2.gz LSUGYCGMWPSFBU-OLZOCXBDSA-N 1 3 280.416 1.029 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000334906754 526431212 /nfs/dbraw/zinc/43/12/12/526431212.db2.gz LSUGYCGMWPSFBU-QWHCGFSZSA-N 1 3 280.416 1.029 20 30 CDEDHO C#CCOc1ccc([C@@H](C)NCCOCC[NH+](C)C)cc1 ZINC000774380589 575201799 /nfs/dbraw/zinc/20/17/99/575201799.db2.gz IGLYGWHYGVDFAJ-OAHLLOKOSA-N 1 3 290.407 1.927 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972258621 613284114 /nfs/dbraw/zinc/28/41/14/613284114.db2.gz QQQPFXAAXDHWOF-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972258621 613284115 /nfs/dbraw/zinc/28/41/15/613284115.db2.gz QQQPFXAAXDHWOF-HUUCEWRRSA-N 1 3 281.444 1.681 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691874 613302326 /nfs/dbraw/zinc/30/23/26/613302326.db2.gz YZVUBYMLWIFYPZ-CWRNSKLLSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969691874 613302327 /nfs/dbraw/zinc/30/23/27/613302327.db2.gz YZVUBYMLWIFYPZ-CWRNSKLLSA-N 1 3 293.455 1.729 20 30 CDEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000961768618 613344294 /nfs/dbraw/zinc/34/42/94/613344294.db2.gz COGZCMNLAUEZGT-TTZDDIAXSA-N 1 3 277.412 1.093 20 30 CDEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC000961768618 613344295 /nfs/dbraw/zinc/34/42/95/613344295.db2.gz COGZCMNLAUEZGT-TTZDDIAXSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CCCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543890 613492169 /nfs/dbraw/zinc/49/21/69/613492169.db2.gz KYXIEQIQUGUOFB-UHFFFAOYSA-N 1 3 291.439 1.725 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972176040 613617436 /nfs/dbraw/zinc/61/74/36/613617436.db2.gz ISHUXMBEEYOXDL-SOUVJXGZSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000972176040 613617438 /nfs/dbraw/zinc/61/74/38/613617438.db2.gz ISHUXMBEEYOXDL-SOUVJXGZSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981813358 613679257 /nfs/dbraw/zinc/67/92/57/613679257.db2.gz JKYCSTNMXYJVGQ-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981813358 613679258 /nfs/dbraw/zinc/67/92/58/613679258.db2.gz JKYCSTNMXYJVGQ-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000961560413 613839769 /nfs/dbraw/zinc/83/97/69/613839769.db2.gz SLXUVKBMTIASME-CAOSSQGBSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961560413 613839770 /nfs/dbraw/zinc/83/97/70/613839770.db2.gz SLXUVKBMTIASME-CAOSSQGBSA-N 1 3 291.439 1.341 20 30 CDEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1CC ZINC000962767089 613840040 /nfs/dbraw/zinc/84/00/40/613840040.db2.gz UREPQVKHVDXBGP-BARDWOONSA-N 1 3 277.412 1.093 20 30 CDEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1CC ZINC000962767089 613840041 /nfs/dbraw/zinc/84/00/41/613840041.db2.gz UREPQVKHVDXBGP-BARDWOONSA-N 1 3 277.412 1.093 20 30 CDEDHO O=C1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCN1[O-] ZINC000895158924 619375428 /nfs/dbraw/zinc/37/54/28/619375428.db2.gz QVOXKQIGAKISSL-AWEZNQCLSA-N 1 3 290.367 1.020 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911788994 629513561 /nfs/dbraw/zinc/51/35/61/629513561.db2.gz FVECFFUOOGTAFX-CQSZACIVSA-N 1 3 273.380 1.954 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911875802 629603041 /nfs/dbraw/zinc/60/30/41/629603041.db2.gz ULUDYFLIJYSKMH-AWEZNQCLSA-N 1 3 283.416 1.026 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)OC(C)C ZINC000154576951 632302283 /nfs/dbraw/zinc/30/22/83/632302283.db2.gz FAPFVTPHQZLKAR-ZDUSSCGKSA-N 1 3 298.431 1.107 20 30 CDEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435952 1162473568 /nfs/dbraw/zinc/47/35/68/1162473568.db2.gz KPKFQJXCTJSEME-GXTWGEPZSA-N 1 3 267.417 1.387 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908452 1163960357 /nfs/dbraw/zinc/96/03/57/1163960357.db2.gz RTULVFVCEHJMAJ-UHFFFAOYSA-N 1 3 269.433 1.636 20 30 CDEDHO C=CCC[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206653495 1167102035 /nfs/dbraw/zinc/10/20/35/1167102035.db2.gz GKFSCKGGLOWHGO-UHFFFAOYSA-N 1 3 281.444 1.733 20 30 CDEDHO CC#CC[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001752850769 1184934099 /nfs/dbraw/zinc/93/40/99/1184934099.db2.gz LUFJLMIMTYBZGB-UHFFFAOYSA-N 1 3 291.439 1.511 20 30 CDEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001753756093 1185328710 /nfs/dbraw/zinc/32/87/10/1185328710.db2.gz ZRFXMVNJAQBOBB-GOEBONIOSA-N 1 3 293.455 1.873 20 30 CDEDHO C#CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCC1 ZINC001754980615 1185778141 /nfs/dbraw/zinc/77/81/41/1185778141.db2.gz KFCACUPSMCHQFS-UHFFFAOYSA-N 1 3 291.439 1.513 20 30 CDEDHO CC#CC[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001755278866 1185887920 /nfs/dbraw/zinc/88/79/20/1185887920.db2.gz ULYLRTQDPZZXJD-UHFFFAOYSA-N 1 3 293.455 1.709 20 30 CDEDHO C#CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001755849018 1186089345 /nfs/dbraw/zinc/08/93/45/1186089345.db2.gz UTTQOOUYEOILGM-AWEZNQCLSA-N 1 3 291.439 1.321 20 30 CDEDHO CC#CCN1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573432 705322886 /nfs/dbraw/zinc/32/28/86/705322886.db2.gz ZSLTVTIPHIBPFE-OAHLLOKOSA-N 1 3 291.439 1.180 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038339791 705593518 /nfs/dbraw/zinc/59/35/18/705593518.db2.gz JVXAYOVGVMKCPF-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038339791 705593524 /nfs/dbraw/zinc/59/35/24/705593524.db2.gz JVXAYOVGVMKCPF-HOTGVXAUSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027442316 705689754 /nfs/dbraw/zinc/68/97/54/705689754.db2.gz DESAPPUWDQCXTD-GJZGRUSLSA-N 1 3 279.428 1.435 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027442316 705689757 /nfs/dbraw/zinc/68/97/57/705689757.db2.gz DESAPPUWDQCXTD-GJZGRUSLSA-N 1 3 279.428 1.435 20 30 CDEDHO CCCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000303897924 706074018 /nfs/dbraw/zinc/07/40/18/706074018.db2.gz QVIQVQCYJWNYOF-STQMWFEESA-N 1 3 254.422 1.954 20 30 CDEDHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886010435 706172645 /nfs/dbraw/zinc/17/26/45/706172645.db2.gz JDRCSSRGTVAPAO-ZIAGYGMSSA-N 1 3 265.401 1.315 20 30 CDEDHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886010435 706172646 /nfs/dbraw/zinc/17/26/46/706172646.db2.gz JDRCSSRGTVAPAO-ZIAGYGMSSA-N 1 3 265.401 1.315 20 30 CDEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862998 706225551 /nfs/dbraw/zinc/22/55/51/706225551.db2.gz CTTDALAZULVOHP-OWCLPIDISA-N 1 3 291.439 1.293 20 30 CDEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862998 706225552 /nfs/dbraw/zinc/22/55/52/706225552.db2.gz CTTDALAZULVOHP-OWCLPIDISA-N 1 3 291.439 1.293 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000303895543 709815878 /nfs/dbraw/zinc/81/58/78/709815878.db2.gz TYSYCZYKAPSIEX-CYBMUJFWSA-N 1 3 254.422 1.954 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CC)CC2)CC1 ZINC001001470877 709892265 /nfs/dbraw/zinc/89/22/65/709892265.db2.gz AIOIANBYRYNPAC-UHFFFAOYSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CC)CC2)CC1 ZINC001001470877 709892267 /nfs/dbraw/zinc/89/22/67/709892267.db2.gz AIOIANBYRYNPAC-UHFFFAOYSA-N 1 3 289.423 1.100 20 30 CDEDHO C#CCN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766900 709913810 /nfs/dbraw/zinc/91/38/10/709913810.db2.gz PJYFRNZPYUMQTG-MRXNPFEDSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441582 709937119 /nfs/dbraw/zinc/93/71/19/709937119.db2.gz GNVAROCWCAYYAP-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441582 709937131 /nfs/dbraw/zinc/93/71/31/709937131.db2.gz GNVAROCWCAYYAP-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO CCOCCCNC(=[NH2+])NC[C@H](CC)N1CCCC1 ZINC000303900890 710229753 /nfs/dbraw/zinc/22/97/53/710229753.db2.gz SKZODLMYJLWNRX-ZDUSSCGKSA-N 1 3 270.421 1.192 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOC(C)C ZINC000303695840 710830518 /nfs/dbraw/zinc/83/05/18/710830518.db2.gz DRUJDOHDDTVGFH-CYBMUJFWSA-N 1 3 270.421 1.190 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027443378 711455002 /nfs/dbraw/zinc/45/50/02/711455002.db2.gz LDBDKXYUKDIUQT-HZPDHXFCSA-N 1 3 293.455 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027443378 711455005 /nfs/dbraw/zinc/45/50/05/711455005.db2.gz LDBDKXYUKDIUQT-HZPDHXFCSA-N 1 3 293.455 1.826 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001028333262 711679245 /nfs/dbraw/zinc/67/92/45/711679245.db2.gz IAVQLKCKFYOYBP-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001028333262 711679246 /nfs/dbraw/zinc/67/92/46/711679246.db2.gz IAVQLKCKFYOYBP-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N1CCSCC1)N1CCC[C@@H](C)C1 ZINC000104168020 711783515 /nfs/dbraw/zinc/78/35/15/711783515.db2.gz LQIWCIHUWSAHRW-OLZOCXBDSA-N 1 3 284.473 1.470 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001074885642 711788978 /nfs/dbraw/zinc/78/89/78/711788978.db2.gz PWIIGIQTJRMNCM-IHRRRGAJSA-N 1 3 267.417 1.482 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987521681 711795655 /nfs/dbraw/zinc/79/56/55/711795655.db2.gz CZOKBPFQFPJESR-KBPBESRZSA-N 1 3 265.401 1.237 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015119678 711809861 /nfs/dbraw/zinc/80/98/61/711809861.db2.gz MNUYLCUUZWWMTG-ZDUSSCGKSA-N 1 3 270.336 1.324 20 30 CDEDHO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001015119678 711809862 /nfs/dbraw/zinc/80/98/62/711809862.db2.gz MNUYLCUUZWWMTG-ZDUSSCGKSA-N 1 3 270.336 1.324 20 30 CDEDHO C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001015119678 711809863 /nfs/dbraw/zinc/80/98/63/711809863.db2.gz MNUYLCUUZWWMTG-ZDUSSCGKSA-N 1 3 270.336 1.324 20 30 CDEDHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000886573383 711812754 /nfs/dbraw/zinc/81/27/54/711812754.db2.gz HGSRMDQJGLRKBE-UHFFFAOYSA-N 1 3 293.455 1.520 20 30 CDEDHO C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001040639026 711820831 /nfs/dbraw/zinc/82/08/31/711820831.db2.gz WVBBZGCPBVCBBZ-OAHLLOKOSA-N 1 3 289.423 1.028 20 30 CDEDHO CC#CC[C@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001574971876 1167643750 /nfs/dbraw/zinc/64/37/50/1167643750.db2.gz JFNLMUNQGKLUMK-GJZGRUSLSA-N 1 3 279.428 1.498 20 30 CDEDHO CC#CC[C@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001574971876 1167643753 /nfs/dbraw/zinc/64/37/53/1167643753.db2.gz JFNLMUNQGKLUMK-GJZGRUSLSA-N 1 3 279.428 1.498 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037410 912513875 /nfs/dbraw/zinc/51/38/75/912513875.db2.gz CUQMCCXZDRGEEZ-MCIONIFRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037410 912513887 /nfs/dbraw/zinc/51/38/87/912513887.db2.gz CUQMCCXZDRGEEZ-MCIONIFRSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247087 913708505 /nfs/dbraw/zinc/70/85/05/913708505.db2.gz VAEAZZKHNCSNMI-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673128 914125007 /nfs/dbraw/zinc/12/50/07/914125007.db2.gz CYLKMAFNIAIRMC-OAGGEKHMSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753924 914259565 /nfs/dbraw/zinc/25/95/65/914259565.db2.gz OMCVUGFIXYESNI-CQSZACIVSA-N 1 3 267.417 1.224 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098000 901328657 /nfs/dbraw/zinc/32/86/57/901328657.db2.gz JJZVWHKZACTTAA-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098000 901328664 /nfs/dbraw/zinc/32/86/64/901328664.db2.gz JJZVWHKZACTTAA-JYJNAYRXSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001270293460 904511145 /nfs/dbraw/zinc/51/11/45/904511145.db2.gz RERBTMFHCFGGDC-KGLIPLIRSA-N 1 3 267.417 1.339 20 30 CDEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573784 905698241 /nfs/dbraw/zinc/69/82/41/905698241.db2.gz DTVKOGQMUIFMLD-HRCADAONSA-N 1 3 291.439 1.483 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001088334617 906945349 /nfs/dbraw/zinc/94/53/49/906945349.db2.gz MHMUBMYOWZKIEZ-HUUCEWRRSA-N 1 3 279.428 1.321 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001088390351 907091346 /nfs/dbraw/zinc/09/13/46/907091346.db2.gz LTMVABPARAKGAD-AWEZNQCLSA-N 1 3 290.411 1.889 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179744243 915963247 /nfs/dbraw/zinc/96/32/47/915963247.db2.gz JMZSDVASJYLDCN-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179983248 916102795 /nfs/dbraw/zinc/10/27/95/916102795.db2.gz QYEFVGMIQCKVRI-KBPBESRZSA-N 1 3 267.417 1.483 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637936 917997721 /nfs/dbraw/zinc/99/77/21/917997721.db2.gz SBBKBTIVJXBREL-IJEWVQPXSA-N 1 3 281.444 1.587 20 30 CDEDHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273487484 919192663 /nfs/dbraw/zinc/19/26/63/919192663.db2.gz LGWXICLKGLYJFP-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001273487484 919192670 /nfs/dbraw/zinc/19/26/70/919192670.db2.gz LGWXICLKGLYJFP-HUUCEWRRSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001005663185 922775843 /nfs/dbraw/zinc/77/58/43/922775843.db2.gz UPIJFSFHZLCMSG-UHFFFAOYSA-N 1 3 291.439 1.724 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192969155 923391105 /nfs/dbraw/zinc/39/11/05/923391105.db2.gz HOZMGLDIESZJJH-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192969155 923391111 /nfs/dbraw/zinc/39/11/11/923391111.db2.gz HOZMGLDIESZJJH-HNNXBMFYSA-N 1 3 281.444 1.827 20 30 CDEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048913 937039124 /nfs/dbraw/zinc/03/91/24/937039124.db2.gz UTMHUHCIFINEGU-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048913 937039126 /nfs/dbraw/zinc/03/91/26/937039126.db2.gz UTMHUHCIFINEGU-BMFZPTHFSA-N 1 3 293.455 1.587 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649736 929000237 /nfs/dbraw/zinc/00/02/37/929000237.db2.gz BHACBZFIVKTPCO-ILXRZTDVSA-N 1 3 291.439 1.626 20 30 CDEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114997934 937315403 /nfs/dbraw/zinc/31/54/03/937315403.db2.gz NWGLTNKQVOWZAO-AIANPOQGSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(CC)CC ZINC001114997934 937315406 /nfs/dbraw/zinc/31/54/06/937315406.db2.gz NWGLTNKQVOWZAO-AIANPOQGSA-N 1 3 293.455 1.729 20 30 CDEDHO C=CCCCCC[NH2+]CCNC(=O)CN(CC)CC ZINC001135511352 930243525 /nfs/dbraw/zinc/24/35/25/930243525.db2.gz ODHUBQBXGHHNEV-UHFFFAOYSA-N 1 3 269.433 1.780 20 30 CDEDHO CCCCN(CC#N)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160728904 932055169 /nfs/dbraw/zinc/05/51/69/932055169.db2.gz GPRINGZSOGNWHM-ZDUSSCGKSA-N 1 3 268.405 1.198 20 30 CDEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238611 932090401 /nfs/dbraw/zinc/09/04/01/932090401.db2.gz WPYGYBUTGYTZPO-CQSZACIVSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CC[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121260377 937864271 /nfs/dbraw/zinc/86/42/71/937864271.db2.gz BIBVCIGDDJSMAW-LETWWHAPSA-N 1 3 293.455 1.776 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001121914573 937890105 /nfs/dbraw/zinc/89/01/05/937890105.db2.gz XKFHVVMJCWNSOC-ILXRZTDVSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001121914573 937890107 /nfs/dbraw/zinc/89/01/07/937890107.db2.gz XKFHVVMJCWNSOC-ILXRZTDVSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001121922426 937890591 /nfs/dbraw/zinc/89/05/91/937890591.db2.gz IZQFYQJRRSQNMN-STQMWFEESA-N 1 3 269.433 1.763 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001122136444 937907878 /nfs/dbraw/zinc/90/78/78/937907878.db2.gz JVARKKDNWLPUDF-UONOGXRCSA-N 1 3 281.444 1.907 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001122136444 937907879 /nfs/dbraw/zinc/90/78/79/937907879.db2.gz JVARKKDNWLPUDF-UONOGXRCSA-N 1 3 281.444 1.907 20 30 CDEDHO N#Cc1c(Cl)nccc1C(F)(F)N[C@H](N)CCC[NH3+] ZINC001159778916 938752136 /nfs/dbraw/zinc/75/21/36/938752136.db2.gz BSOGHNGOSXSZMZ-VIFPVBQESA-N 1 3 289.717 1.269 20 30 CDEDHO C=C(C)C[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161879187 938939596 /nfs/dbraw/zinc/93/95/96/938939596.db2.gz IWCXEHBYWWCMCD-UHFFFAOYSA-N 1 3 291.439 1.797 20 30 CDEDHO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161879187 938939598 /nfs/dbraw/zinc/93/95/98/938939598.db2.gz IWCXEHBYWWCMCD-UHFFFAOYSA-N 1 3 291.439 1.797 20 30 CDEDHO C#CCC[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890232 940108081 /nfs/dbraw/zinc/10/80/81/940108081.db2.gz HLEJQXGLOJENJT-UHFFFAOYSA-N 1 3 279.428 1.180 20 30 CDEDHO C[N@@H+]1CCC[C@@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611968 940352181 /nfs/dbraw/zinc/35/21/81/940352181.db2.gz YYZMHFJKRACNRG-DGCLKSJQSA-N 1 3 266.410 1.602 20 30 CDEDHO C[N@H+]1CCC[C@@H](CN2CCC3SC(=O)C=C3C2)C1 ZINC001208611968 940352187 /nfs/dbraw/zinc/35/21/87/940352187.db2.gz YYZMHFJKRACNRG-DGCLKSJQSA-N 1 3 266.410 1.602 20 30 CDEDHO CC#CC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689049 940625622 /nfs/dbraw/zinc/62/56/22/940625622.db2.gz JBSPXEDGYQPCQO-HNNXBMFYSA-N 1 3 293.455 1.568 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001210315478 940682574 /nfs/dbraw/zinc/68/25/74/940682574.db2.gz NYXXJDYXSBXWCV-ZBFHGGJFSA-N 1 3 280.412 1.960 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC001220868417 941478439 /nfs/dbraw/zinc/47/84/39/941478439.db2.gz IOLMURWLYNCOCH-KGLIPLIRSA-N 1 3 265.401 1.143 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228623931 942343602 /nfs/dbraw/zinc/34/36/02/942343602.db2.gz NIPYWRMPPJFRDM-HUUCEWRRSA-N 1 3 293.455 1.615 20 30 CDEDHO C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860235 948485864 /nfs/dbraw/zinc/48/58/64/948485864.db2.gz NMYLCDAORFOGSC-QIXHYMPYSA-N 1 3 285.391 1.395 20 30 CDEDHO C=C[C@@H](O)CN[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001253606073 951991345 /nfs/dbraw/zinc/99/13/45/951991345.db2.gz YVVBKYKRYUVVPZ-WCVJEAGWSA-N 1 3 258.365 1.253 20 30 CDEDHO C=C[C@@H](O)CN[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001253606073 951991352 /nfs/dbraw/zinc/99/13/52/951991352.db2.gz YVVBKYKRYUVVPZ-WCVJEAGWSA-N 1 3 258.365 1.253 20 30 CDEDHO CC(C)[N@H+](C)CCNCCC(=O)Nc1cccc(C#N)c1 ZINC001336775286 960572556 /nfs/dbraw/zinc/57/25/56/960572556.db2.gz ZJTCAQVLCQATAY-UHFFFAOYSA-N 1 3 288.395 1.817 20 30 CDEDHO CC(C)[N@@H+](C)CCNCCC(=O)Nc1cccc(C#N)c1 ZINC001336775286 960572572 /nfs/dbraw/zinc/57/25/72/960572572.db2.gz ZJTCAQVLCQATAY-UHFFFAOYSA-N 1 3 288.395 1.817 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001340042195 962704643 /nfs/dbraw/zinc/70/46/43/962704643.db2.gz UYLRIHDZJILXHQ-MJBXVCDLSA-N 1 3 265.401 1.413 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001340042195 962704654 /nfs/dbraw/zinc/70/46/54/962704654.db2.gz UYLRIHDZJILXHQ-MJBXVCDLSA-N 1 3 265.401 1.413 20 30 CDEDHO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100442440 968365533 /nfs/dbraw/zinc/36/55/33/968365533.db2.gz HORMVHLWEWYOSP-JXQTWKCFSA-N 1 3 267.417 1.387 20 30 CDEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683554 968943398 /nfs/dbraw/zinc/94/33/98/968943398.db2.gz HFOPNDPGFJOWAI-NRXISQOPSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100685132 968946398 /nfs/dbraw/zinc/94/63/98/968946398.db2.gz AMQWXFICOXRJAU-NRXISQOPSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001357474930 969602481 /nfs/dbraw/zinc/60/24/81/969602481.db2.gz SFZGGGKGMNSHRC-ILXRZTDVSA-N 1 3 295.427 1.025 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357991795 969676947 /nfs/dbraw/zinc/67/69/47/969676947.db2.gz DQKQPNXVROQJHA-XJFOESAGSA-N 1 3 265.401 1.317 20 30 CDEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133191662 1163602975 /nfs/dbraw/zinc/60/29/75/1163602975.db2.gz RFBUUDYBFCSMSC-HUUCEWRRSA-N 1 3 279.428 1.036 20 30 CDEDHO CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001570116965 1170086059 /nfs/dbraw/zinc/08/60/59/1170086059.db2.gz RPIXKVNJGCGUHA-CQSZACIVSA-N 1 3 279.428 1.224 20 30 CDEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001570534270 1170181623 /nfs/dbraw/zinc/18/16/23/1170181623.db2.gz FZFLXPIJWPQEJF-LSDHHAIUSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001570534270 1170181630 /nfs/dbraw/zinc/18/16/30/1170181630.db2.gz FZFLXPIJWPQEJF-LSDHHAIUSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001574851579 1171023352 /nfs/dbraw/zinc/02/33/52/1171023352.db2.gz HWHISEHIMXLCNK-AXFHLTTASA-N 1 3 273.808 1.301 20 30 CDEDHO CC[NH+](CC)CCCNC[C@@H](O)CC(C)(C)C#N ZINC000598705057 343877283 /nfs/dbraw/zinc/87/72/83/343877283.db2.gz XSKQKYVMPAQHGD-ZDUSSCGKSA-N 1 3 255.406 1.609 20 30 CDEDHO CCN(CC)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598705057 343877284 /nfs/dbraw/zinc/87/72/84/343877284.db2.gz XSKQKYVMPAQHGD-ZDUSSCGKSA-N 1 3 255.406 1.609 20 30 CDEDHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598718389 343882654 /nfs/dbraw/zinc/88/26/54/343882654.db2.gz AVASOMSYCUSHIS-ZIAGYGMSSA-N 1 3 267.417 1.609 20 30 CDEDHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598718389 343882656 /nfs/dbraw/zinc/88/26/56/343882656.db2.gz AVASOMSYCUSHIS-ZIAGYGMSSA-N 1 3 267.417 1.609 20 30 CDEDHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598718389 343882657 /nfs/dbraw/zinc/88/26/57/343882657.db2.gz AVASOMSYCUSHIS-ZIAGYGMSSA-N 1 3 267.417 1.609 20 30 CDEDHO C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CN1CCCCC1 ZINC000598721131 343883753 /nfs/dbraw/zinc/88/37/53/343883753.db2.gz SQGCEYKYFVFIIM-GJZGRUSLSA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000598721131 343883756 /nfs/dbraw/zinc/88/37/56/343883756.db2.gz SQGCEYKYFVFIIM-GJZGRUSLSA-N 1 3 281.444 1.999 20 30 CDEDHO N#C[C@H]1CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000601966171 344298492 /nfs/dbraw/zinc/29/84/92/344298492.db2.gz QEVGKGKMMOFZPO-KSZLIROESA-N 1 3 299.418 1.905 20 30 CDEDHO N#C[C@H]1CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000601966171 344298494 /nfs/dbraw/zinc/29/84/94/344298494.db2.gz QEVGKGKMMOFZPO-KSZLIROESA-N 1 3 299.418 1.905 20 30 CDEDHO C=CCC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353158740 346062286 /nfs/dbraw/zinc/06/22/86/346062286.db2.gz ZTZBMGXLVQYKHM-IXXDHKBRSA-N 1 3 252.402 1.871 20 30 CDEDHO C=CCC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353158740 346062287 /nfs/dbraw/zinc/06/22/87/346062287.db2.gz ZTZBMGXLVQYKHM-IXXDHKBRSA-N 1 3 252.402 1.871 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000065447574 363275671 /nfs/dbraw/zinc/27/56/71/363275671.db2.gz INKOWLGOCSEYSR-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C#CCN1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000065447574 363275673 /nfs/dbraw/zinc/27/56/73/363275673.db2.gz INKOWLGOCSEYSR-HNNXBMFYSA-N 1 3 291.439 1.322 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN2CCC(C)(C)C2)CC1 ZINC000578141159 372313421 /nfs/dbraw/zinc/31/34/21/372313421.db2.gz AXSKEAPQRUIHFV-UHFFFAOYSA-N 1 3 279.428 1.485 20 30 CDEDHO CN(CCCNC1=[NH+]CCN1C)Cc1ccccc1 ZINC000284992328 391987872 /nfs/dbraw/zinc/98/78/72/391987872.db2.gz HNUYNKFDRKRSBF-UHFFFAOYSA-N 1 3 260.385 1.400 20 30 CDEDHO C[NH+]=C(NCc1ccco1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158356728 261163719 /nfs/dbraw/zinc/16/37/19/261163719.db2.gz GWOHDYFMUBRRGL-JSGCOSHPSA-N 1 3 278.400 1.673 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC000106034080 261320539 /nfs/dbraw/zinc/32/05/39/261320539.db2.gz XWIMNWMXIVRFCA-UHFFFAOYSA-N 1 3 267.417 1.483 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1nccs1 ZINC000273355930 263015973 /nfs/dbraw/zinc/01/59/73/263015973.db2.gz BYUCPUWRAHXMCM-NEPJUHHUSA-N 1 3 295.456 1.635 20 30 CDEDHO CN(C)CCOc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000273377831 263016262 /nfs/dbraw/zinc/01/62/62/263016262.db2.gz WYVYGPRQOLCYQR-UHFFFAOYSA-N 1 3 290.411 1.536 20 30 CDEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000280821562 263064353 /nfs/dbraw/zinc/06/43/53/263064353.db2.gz NHALNKXPGBZOTC-IUODEOHRSA-N 1 3 284.363 1.307 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cscc1C ZINC000262752246 330029263 /nfs/dbraw/zinc/02/92/63/330029263.db2.gz CGEXEEKVNKJLDW-ZDUSSCGKSA-N 1 3 280.441 1.945 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC1(F)F ZINC000263177442 330047513 /nfs/dbraw/zinc/04/75/13/330047513.db2.gz SWKLYPRCNQCEAP-NWDGAFQWSA-N 1 3 288.386 1.810 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CCCC1(C)C ZINC000263209199 330049185 /nfs/dbraw/zinc/04/91/85/330049185.db2.gz YTZXRHBAMIKTMK-XJKSGUPXSA-N 1 3 296.459 1.316 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424148055 330294897 /nfs/dbraw/zinc/29/48/97/330294897.db2.gz SZBSKDYCCUDKOB-CABCVRRESA-N 1 3 292.427 1.388 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424148055 330294898 /nfs/dbraw/zinc/29/48/98/330294898.db2.gz SZBSKDYCCUDKOB-CABCVRRESA-N 1 3 292.427 1.388 20 30 CDEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000491209481 332166167 /nfs/dbraw/zinc/16/61/67/332166167.db2.gz HVDBBORGSLXGFH-BZUAXINKSA-N 1 3 263.429 1.404 20 30 CDEDHO CC[C@@]1(NCC#CC[NH2+][C@]2(CC)CCOC2)CCOC1 ZINC000671243688 483198467 /nfs/dbraw/zinc/19/84/67/483198467.db2.gz JKXYFMQSBOSJJN-HZPDHXFCSA-N 1 3 280.412 1.307 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792755 612996501 /nfs/dbraw/zinc/99/65/01/612996501.db2.gz KNZLGGCJEPALDZ-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969792755 612996503 /nfs/dbraw/zinc/99/65/03/612996503.db2.gz KNZLGGCJEPALDZ-HOCLYGCPSA-N 1 3 291.439 1.321 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969705723 612996823 /nfs/dbraw/zinc/99/68/23/612996823.db2.gz BEOFYPKYOZISHZ-CWRNSKLLSA-N 1 3 291.439 1.177 20 30 CDEDHO C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969705723 612996824 /nfs/dbraw/zinc/99/68/24/612996824.db2.gz BEOFYPKYOZISHZ-CWRNSKLLSA-N 1 3 291.439 1.177 20 30 CDEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969676806 613298920 /nfs/dbraw/zinc/29/89/20/613298920.db2.gz JBEVNPJCKDNMQR-CZUORRHYSA-N 1 3 291.439 1.341 20 30 CDEDHO CC#CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947934267 613577644 /nfs/dbraw/zinc/57/76/44/613577644.db2.gz JWOBCHABAFALTF-LSDHHAIUSA-N 1 3 289.423 1.075 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971781395 613630990 /nfs/dbraw/zinc/63/09/90/613630990.db2.gz JCBNHLYEKBWEGH-QWHCGFSZSA-N 1 3 253.390 1.045 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971781395 613630992 /nfs/dbraw/zinc/63/09/92/613630992.db2.gz JCBNHLYEKBWEGH-QWHCGFSZSA-N 1 3 253.390 1.045 20 30 CDEDHO CCO[C@@H](CC[NH+](C)C)CNCC#Cc1ccccc1 ZINC000893364090 617689859 /nfs/dbraw/zinc/68/98/59/617689859.db2.gz RSSKCCHZUGKYCN-KRWDZBQOSA-N 1 3 274.408 1.985 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674586 629404984 /nfs/dbraw/zinc/40/49/84/629404984.db2.gz VGAKANAQTVJYHD-KBPBESRZSA-N 1 3 269.433 1.933 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911875803 629602667 /nfs/dbraw/zinc/60/26/67/629602667.db2.gz ULUDYFLIJYSKMH-CQSZACIVSA-N 1 3 283.416 1.026 20 30 CDEDHO C=C(C)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232716 1158546305 /nfs/dbraw/zinc/54/63/05/1158546305.db2.gz NOGBDKHRFBWOGY-OAHLLOKOSA-N 1 3 293.455 1.780 20 30 CDEDHO C=CCCC[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130427336 1162622970 /nfs/dbraw/zinc/62/29/70/1162622970.db2.gz LYIPMPKEJCVXCG-UHFFFAOYSA-N 1 3 255.406 1.389 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133905471 1163958299 /nfs/dbraw/zinc/95/82/99/1163958299.db2.gz BCESLJXYWNENTE-UHFFFAOYSA-N 1 3 269.433 1.636 20 30 CDEDHO C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001753460317 1184544386 /nfs/dbraw/zinc/54/43/86/1184544386.db2.gz VSRBEFCIOJUEKN-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001753460317 1184544390 /nfs/dbraw/zinc/54/43/90/1184544390.db2.gz VSRBEFCIOJUEKN-HOTGVXAUSA-N 1 3 291.439 1.274 20 30 CDEDHO C=C(C)C[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001753265308 1185135887 /nfs/dbraw/zinc/13/58/87/1185135887.db2.gz ALZJSZCRSDMDQQ-UHFFFAOYSA-N 1 3 289.423 1.986 20 30 CDEDHO C#CCN(C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001755045749 1185798031 /nfs/dbraw/zinc/79/80/31/1185798031.db2.gz HCRRKNXTUWTJNE-UHFFFAOYSA-N 1 3 279.428 1.132 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526213 711854678 /nfs/dbraw/zinc/85/46/78/711854678.db2.gz VYXUTCPAPSRRMI-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526213 711854680 /nfs/dbraw/zinc/85/46/80/711854680.db2.gz VYXUTCPAPSRRMI-KGLIPLIRSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999402132 711914165 /nfs/dbraw/zinc/91/41/65/711914165.db2.gz DSHANQSDPVEJIH-XGNXJENSSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999402132 711914167 /nfs/dbraw/zinc/91/41/67/711914167.db2.gz DSHANQSDPVEJIH-XGNXJENSSA-N 1 3 299.846 1.660 20 30 CDEDHO C#CCN1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029005129 711949465 /nfs/dbraw/zinc/94/94/65/711949465.db2.gz WUOWAZUVVGJMOV-HNNXBMFYSA-N 1 3 299.418 1.433 20 30 CDEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999373486 712181203 /nfs/dbraw/zinc/18/12/03/712181203.db2.gz QHIZNWXTUWEWCI-KBPBESRZSA-N 1 3 265.401 1.093 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016330742 712208328 /nfs/dbraw/zinc/20/83/28/712208328.db2.gz UZFWMCYVXLUCSE-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016330742 712208329 /nfs/dbraw/zinc/20/83/29/712208329.db2.gz UZFWMCYVXLUCSE-MRXNPFEDSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001020146188 712384580 /nfs/dbraw/zinc/38/45/80/712384580.db2.gz XCNGGOBDSDHIOP-MGPQQGTHSA-N 1 3 265.401 1.282 20 30 CDEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562132 712388442 /nfs/dbraw/zinc/38/84/42/712388442.db2.gz JAVWBZHJDVSXHO-LSDHHAIUSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562132 712388443 /nfs/dbraw/zinc/38/84/43/712388443.db2.gz JAVWBZHJDVSXHO-LSDHHAIUSA-N 1 3 281.444 1.681 20 30 CDEDHO C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005185076 712405023 /nfs/dbraw/zinc/40/50/23/712405023.db2.gz PJSXZKFOOZGKKH-HNNXBMFYSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCC[N@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728122 712509611 /nfs/dbraw/zinc/50/96/11/712509611.db2.gz BNUFIAKDBVLFIN-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C=CCC[N@@H+]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728122 712509613 /nfs/dbraw/zinc/50/96/13/712509613.db2.gz BNUFIAKDBVLFIN-HZPDHXFCSA-N 1 3 293.455 1.970 20 30 CDEDHO C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001026503332 712697929 /nfs/dbraw/zinc/69/79/29/712697929.db2.gz SMRNGQCRZOHRCJ-UYSNPLJNSA-N 1 3 291.439 1.511 20 30 CDEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303891320 712787802 /nfs/dbraw/zinc/78/78/02/712787802.db2.gz QPPLJOJBJJAKII-ZIAGYGMSSA-N 1 3 284.448 1.580 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001368748507 959101054 /nfs/dbraw/zinc/10/10/54/959101054.db2.gz GKCLMWJDUXACSK-STQMWFEESA-N 1 3 289.851 1.810 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255796 913733689 /nfs/dbraw/zinc/73/36/89/913733689.db2.gz JNROYHCARHEORX-HUUCEWRRSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167487073 896150828 /nfs/dbraw/zinc/15/08/28/896150828.db2.gz YZGIJKDCKNLXBO-UHFFFAOYSA-N 1 3 267.417 1.390 20 30 CDEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676356 898873529 /nfs/dbraw/zinc/87/35/29/898873529.db2.gz GQMCKJOAVTXEPE-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCC=C)CC1 ZINC001176926090 914360702 /nfs/dbraw/zinc/36/07/02/914360702.db2.gz GKXZAVGZAJXZFP-UHFFFAOYSA-N 1 3 291.439 1.394 20 30 CDEDHO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001267958408 900072493 /nfs/dbraw/zinc/07/24/93/900072493.db2.gz LFMFASLCPXYAJR-CHWSQXEVSA-N 1 3 253.390 1.093 20 30 CDEDHO C#CCN(C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027602922 900660208 /nfs/dbraw/zinc/66/02/08/900660208.db2.gz BCQMZNRVUNNELN-INIZCTEOSA-N 1 3 291.439 1.274 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025683 906678377 /nfs/dbraw/zinc/67/83/77/906678377.db2.gz BEKRARLTTOYPNG-LBPRGKRZSA-N 1 3 263.389 1.279 20 30 CDEDHO COCCC1([NH3+])CCN([C@H](C)CCCC#N)CC1 ZINC001172492928 911730025 /nfs/dbraw/zinc/73/00/25/911730025.db2.gz QCUVTOGJIMCDDX-CYBMUJFWSA-N 1 3 253.390 1.899 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728973 915163259 /nfs/dbraw/zinc/16/32/59/915163259.db2.gz FEVGTYIUKUIRHV-MRXNPFEDSA-N 1 3 291.439 1.036 20 30 CDEDHO C#CCCN1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728973 915163268 /nfs/dbraw/zinc/16/32/68/915163268.db2.gz FEVGTYIUKUIRHV-MRXNPFEDSA-N 1 3 291.439 1.036 20 30 CDEDHO C=CCN1CCC(NC(=O)CCCCCC[NH3+])CC1 ZINC000237980523 915459426 /nfs/dbraw/zinc/45/94/26/915459426.db2.gz FFDZFSYAVAKENH-UHFFFAOYSA-N 1 3 267.417 1.662 20 30 CDEDHO C#CC[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179846746 916012239 /nfs/dbraw/zinc/01/22/39/916012239.db2.gz RZHMLBULRDAJLH-UHFFFAOYSA-N 1 3 267.417 1.228 20 30 CDEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182614813 918022025 /nfs/dbraw/zinc/02/20/25/918022025.db2.gz SAIWEKVMWBPMGG-BFYDXBDKSA-N 1 3 293.455 1.588 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995920949 918184708 /nfs/dbraw/zinc/18/47/08/918184708.db2.gz WOVKYGNWKXXFMI-OAHLLOKOSA-N 1 3 293.455 1.873 20 30 CDEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107615145 918495597 /nfs/dbraw/zinc/49/55/97/918495597.db2.gz SBVYDOAVNRDFQH-NVXWUHKLSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107615145 918495604 /nfs/dbraw/zinc/49/56/04/918495604.db2.gz SBVYDOAVNRDFQH-NVXWUHKLSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181212 936556551 /nfs/dbraw/zinc/55/65/51/936556551.db2.gz GDPQHDKENSBXBX-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050181212 936556553 /nfs/dbraw/zinc/55/65/53/936556553.db2.gz GDPQHDKENSBXBX-HRCADAONSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185716095 919727294 /nfs/dbraw/zinc/72/72/94/919727294.db2.gz PHBJMGQTWCDYLW-KGLIPLIRSA-N 1 3 267.417 1.483 20 30 CDEDHO CC#CCN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186739421 920153705 /nfs/dbraw/zinc/15/37/05/920153705.db2.gz QRKAJKUCVHHGNM-MRXNPFEDSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814397 936710386 /nfs/dbraw/zinc/71/03/86/936710386.db2.gz CJLSWHBZSHNFRX-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814397 936710387 /nfs/dbraw/zinc/71/03/87/936710387.db2.gz CJLSWHBZSHNFRX-OAHLLOKOSA-N 1 3 291.439 1.437 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223365 936747198 /nfs/dbraw/zinc/74/71/98/936747198.db2.gz IIPBTBLALHSWSC-KFWWJZLASA-N 1 3 289.423 1.380 20 30 CDEDHO C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034277910 922578197 /nfs/dbraw/zinc/57/81/97/922578197.db2.gz UGNUJVWADQCYAT-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034277910 922578208 /nfs/dbraw/zinc/57/82/08/922578208.db2.gz UGNUJVWADQCYAT-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034277910 922578223 /nfs/dbraw/zinc/57/82/23/922578223.db2.gz UGNUJVWADQCYAT-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034277910 922578232 /nfs/dbraw/zinc/57/82/32/922578232.db2.gz UGNUJVWADQCYAT-HUUCEWRRSA-N 1 3 277.412 1.075 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491073245 936852080 /nfs/dbraw/zinc/85/20/80/936852080.db2.gz HWXSMMDYUPGMPQ-MJBXVCDLSA-N 1 3 267.417 1.386 20 30 CDEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001085217620 925810314 /nfs/dbraw/zinc/81/03/14/925810314.db2.gz JSKUICNBDCNTIX-BZUAXINKSA-N 1 3 291.439 1.511 20 30 CDEDHO CC#CC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038246 926190351 /nfs/dbraw/zinc/19/03/51/926190351.db2.gz WTOSLXHQNPFVRZ-UHFFFAOYSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192298 937223047 /nfs/dbraw/zinc/22/30/47/937223047.db2.gz CTLZQXFWNNWWHA-HNNXBMFYSA-N 1 3 297.443 1.111 20 30 CDEDHO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481350 930218416 /nfs/dbraw/zinc/21/84/16/930218416.db2.gz UAUBLWLXNNBKES-CABCVRRESA-N 1 3 295.471 1.861 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006410972 930920883 /nfs/dbraw/zinc/92/08/83/930920883.db2.gz MWSTYBLVBQOFHD-CYBMUJFWSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006410972 930920890 /nfs/dbraw/zinc/92/08/90/930920890.db2.gz MWSTYBLVBQOFHD-CYBMUJFWSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238610 932089572 /nfs/dbraw/zinc/08/95/72/932089572.db2.gz WPYGYBUTGYTZPO-AWEZNQCLSA-N 1 3 281.444 1.921 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148646615 932758498 /nfs/dbraw/zinc/75/84/98/932758498.db2.gz FKJKAFRXEUQYRS-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C=CCN1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148646615 932758504 /nfs/dbraw/zinc/75/85/04/932758504.db2.gz FKJKAFRXEUQYRS-UHFFFAOYSA-N 1 3 279.428 1.439 20 30 CDEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091782942 932884775 /nfs/dbraw/zinc/88/47/75/932884775.db2.gz MPTBSCCRNCDRGU-INMHGKMJSA-N 1 3 291.439 1.130 20 30 CDEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091782942 932884779 /nfs/dbraw/zinc/88/47/79/932884779.db2.gz MPTBSCCRNCDRGU-INMHGKMJSA-N 1 3 291.439 1.130 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959660 933202166 /nfs/dbraw/zinc/20/21/66/933202166.db2.gz VRTJQSYFMKPVMU-KFWWJZLASA-N 1 3 279.428 1.626 20 30 CDEDHO C[C@@H]1CN(CCCC[NH2+]C[C@H](C#N)CCC#N)C[C@H](C)O1 ZINC001120480899 937802551 /nfs/dbraw/zinc/80/25/51/937802551.db2.gz GYXPYDMQVVQPBJ-XHSDSOJGSA-N 1 3 292.427 1.909 20 30 CDEDHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC#CCN(C)C ZINC001120491779 937803315 /nfs/dbraw/zinc/80/33/15/937803315.db2.gz CVJPUASXHOPYDG-MRXNPFEDSA-N 1 3 290.407 1.198 20 30 CDEDHO C#CCCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930172 935593339 /nfs/dbraw/zinc/59/33/39/935593339.db2.gz JDRQQSVMXUWDFG-INIZCTEOSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533055 936153209 /nfs/dbraw/zinc/15/32/09/936153209.db2.gz LZVSJPMWFQOULQ-XHSDSOJGSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001049533055 936153211 /nfs/dbraw/zinc/15/32/11/936153211.db2.gz LZVSJPMWFQOULQ-XHSDSOJGSA-N 1 3 293.455 1.824 20 30 CDEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533055 936153214 /nfs/dbraw/zinc/15/32/14/936153214.db2.gz LZVSJPMWFQOULQ-XHSDSOJGSA-N 1 3 293.455 1.824 20 30 CDEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242546 937915063 /nfs/dbraw/zinc/91/50/63/937915063.db2.gz IAFUONQJHZUPJQ-UHFFFAOYSA-N 1 3 293.455 1.920 20 30 CDEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118548 938457010 /nfs/dbraw/zinc/45/70/10/938457010.db2.gz HZJDXRBMWMUJJD-HZPDHXFCSA-N 1 3 293.455 1.567 20 30 CDEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915772 938759939 /nfs/dbraw/zinc/75/99/39/938759939.db2.gz NQSBCOOEVINGPV-HIFRSBDPSA-N 1 3 281.444 1.777 20 30 CDEDHO C=CC[N@@H+]1CCC[C@H]1CNc1cc2c(nn1)CCNC2 ZINC001160954476 938850211 /nfs/dbraw/zinc/85/02/11/938850211.db2.gz VFTVAXVTJDHTHZ-ZDUSSCGKSA-N 1 3 273.384 1.185 20 30 CDEDHO C=CC[N@H+]1CCC[C@H]1CNc1cc2c(nn1)CCNC2 ZINC001160954476 938850213 /nfs/dbraw/zinc/85/02/13/938850213.db2.gz VFTVAXVTJDHTHZ-ZDUSSCGKSA-N 1 3 273.384 1.185 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161870076 938938001 /nfs/dbraw/zinc/93/80/01/938938001.db2.gz URWMSJMQQRJPFS-INIZCTEOSA-N 1 3 289.423 1.100 20 30 CDEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161870076 938938002 /nfs/dbraw/zinc/93/80/02/938938002.db2.gz URWMSJMQQRJPFS-INIZCTEOSA-N 1 3 289.423 1.100 20 30 CDEDHO CC#CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687266 939626972 /nfs/dbraw/zinc/62/69/72/939626972.db2.gz LHOWZXYSKWZGOH-INIZCTEOSA-N 1 3 297.418 1.318 20 30 CDEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206301665 940013123 /nfs/dbraw/zinc/01/31/23/940013123.db2.gz OMLYQPYYGHWDKN-HNNXBMFYSA-N 1 3 281.444 1.731 20 30 CDEDHO Cn1cc(CN2CCC3(C[NH+](C)C3)CC2)cc1C#N ZINC001207108389 940151051 /nfs/dbraw/zinc/15/10/51/940151051.db2.gz AROLULJAEWATIF-UHFFFAOYSA-N 1 3 258.369 1.424 20 30 CDEDHO C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218871980 941282003 /nfs/dbraw/zinc/28/20/03/941282003.db2.gz ZAXFKRVYXULQLB-GWCFXTLKSA-N 1 3 260.341 1.318 20 30 CDEDHO C[C@H](C#N)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218871290 941282340 /nfs/dbraw/zinc/28/23/40/941282340.db2.gz KJULHNVFSPTGHK-SUYBPPKGSA-N 1 3 298.390 1.451 20 30 CDEDHO N#C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001219557451 941355453 /nfs/dbraw/zinc/35/54/53/941355453.db2.gz AKBVGAJJWMYYQL-CABCVRRESA-N 1 3 298.390 1.242 20 30 CDEDHO N#C[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001219557451 941355455 /nfs/dbraw/zinc/35/54/55/941355455.db2.gz AKBVGAJJWMYYQL-CABCVRRESA-N 1 3 298.390 1.242 20 30 CDEDHO C#CCN1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223962128 941710022 /nfs/dbraw/zinc/71/00/22/941710022.db2.gz GXYDPALYRAVYEQ-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C#CCN1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223962128 941710026 /nfs/dbraw/zinc/71/00/26/941710026.db2.gz GXYDPALYRAVYEQ-CVEARBPZSA-N 1 3 291.439 1.274 20 30 CDEDHO C=CC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001224003770 941713949 /nfs/dbraw/zinc/71/39/49/941713949.db2.gz ZBBKIOTZBYNIPB-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226941947 942097348 /nfs/dbraw/zinc/09/73/48/942097348.db2.gz KNTLUKDLUOJBPJ-OAGGEKHMSA-N 1 3 293.455 1.613 20 30 CDEDHO C=CC[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001265743148 944486184 /nfs/dbraw/zinc/48/61/84/944486184.db2.gz DBSIJVFJLDAMOZ-JXQTWKCFSA-N 1 3 267.417 1.530 20 30 CDEDHO C=CCOC1CCC(N2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246638312 948375487 /nfs/dbraw/zinc/37/54/87/948375487.db2.gz RWMJTVUHAQLDHO-GPANFISMSA-N 1 3 279.428 1.138 20 30 CDEDHO N#CC1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCC1 ZINC001256676406 948388011 /nfs/dbraw/zinc/38/80/11/948388011.db2.gz CFFRZXOKJCUWHE-UHFFFAOYSA-N 1 3 277.412 1.913 20 30 CDEDHO N#Cc1cc(F)cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247828217 948802783 /nfs/dbraw/zinc/80/27/83/948802783.db2.gz BRBWUMJFRFUWAV-GFCCVEGCSA-N 1 3 299.309 1.024 20 30 CDEDHO C=C[C@@](C)(O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252580035 951474934 /nfs/dbraw/zinc/47/49/34/951474934.db2.gz PNBBNJRUINMXRG-QGZVFWFLSA-N 1 3 289.423 1.820 20 30 CDEDHO C=C(Cl)CN[C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001366485531 956867928 /nfs/dbraw/zinc/86/79/28/956867928.db2.gz IQCVQIGNXNVZOS-GFCCVEGCSA-N 1 3 287.835 1.565 20 30 CDEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001317137703 957296963 /nfs/dbraw/zinc/29/69/63/957296963.db2.gz IBBWCOYQPIHHKJ-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001317137703 957296972 /nfs/dbraw/zinc/29/69/72/957296972.db2.gz IBBWCOYQPIHHKJ-HUUCEWRRSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001353495985 968019921 /nfs/dbraw/zinc/01/99/21/968019921.db2.gz QOLBWSOXQLSUFD-ZIAGYGMSSA-N 1 3 267.417 1.470 20 30 CDEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001353495985 968019932 /nfs/dbraw/zinc/01/99/32/968019932.db2.gz QOLBWSOXQLSUFD-ZIAGYGMSSA-N 1 3 267.417 1.470 20 30 CDEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133178662 1163596693 /nfs/dbraw/zinc/59/66/93/1163596693.db2.gz VWXHWIYSOFVRHH-CVEARBPZSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133275893 1163624232 /nfs/dbraw/zinc/62/42/32/1163624232.db2.gz XYPDYYSRFHQREQ-GJZGRUSLSA-N 1 3 281.444 1.588 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001574852435 1171026212 /nfs/dbraw/zinc/02/62/12/1171026212.db2.gz SNOHMXFKEQZPOS-OLZOCXBDSA-N 1 3 285.819 1.589 20 30 CDEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001574852435 1171026220 /nfs/dbraw/zinc/02/62/20/1171026220.db2.gz SNOHMXFKEQZPOS-OLZOCXBDSA-N 1 3 285.819 1.589 20 30 CDEDHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H](O)CC2(C#N)CC2)C1 ZINC001576117418 1171335423 /nfs/dbraw/zinc/33/54/23/1171335423.db2.gz OGYQWJOKOAQRCT-RWMBFGLXSA-N 1 3 251.374 1.100 20 30 CDEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000591570698 342637301 /nfs/dbraw/zinc/63/73/01/342637301.db2.gz CETVTISEHIRTKD-YESZJQIVSA-N 1 3 290.455 1.875 20 30 CDEDHO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440245 342907000 /nfs/dbraw/zinc/90/70/00/342907000.db2.gz AXEQVHNMGZJZNA-KBPBESRZSA-N 1 3 280.416 1.246 20 30 CDEDHO C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440245 342907002 /nfs/dbraw/zinc/90/70/02/342907002.db2.gz AXEQVHNMGZJZNA-KBPBESRZSA-N 1 3 280.416 1.246 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000595960002 343196581 /nfs/dbraw/zinc/19/65/81/343196581.db2.gz RMWXKYQXOPVZKK-MJBXVCDLSA-N 1 3 278.400 1.141 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000595960002 343196584 /nfs/dbraw/zinc/19/65/84/343196584.db2.gz RMWXKYQXOPVZKK-MJBXVCDLSA-N 1 3 278.400 1.141 20 30 CDEDHO COc1cc(CNCCOCCC[NH3+])ccc1C#N ZINC000600777678 349879251 /nfs/dbraw/zinc/87/92/51/349879251.db2.gz VTVQBBOFQHDIBS-UHFFFAOYSA-N 1 3 263.341 1.022 20 30 CDEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719849 343883201 /nfs/dbraw/zinc/88/32/01/343883201.db2.gz KAJKELSYPWMAKE-GJZGRUSLSA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719849 343883203 /nfs/dbraw/zinc/88/32/03/343883203.db2.gz KAJKELSYPWMAKE-GJZGRUSLSA-N 1 3 281.444 1.997 20 30 CDEDHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598719849 343883206 /nfs/dbraw/zinc/88/32/06/343883206.db2.gz KAJKELSYPWMAKE-GJZGRUSLSA-N 1 3 281.444 1.997 20 30 CDEDHO CN(C)CCN(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000598918728 343926225 /nfs/dbraw/zinc/92/62/25/343926225.db2.gz XOBXQQDLHLFRPN-UHFFFAOYSA-N 1 3 280.460 1.932 20 30 CDEDHO C[C@H](CCC#N)C[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000602671634 344523186 /nfs/dbraw/zinc/52/31/86/344523186.db2.gz VZLQFWUQSWKWOA-OAHLLOKOSA-N 1 3 294.443 1.508 20 30 CDEDHO CN(CCN(C)C1CC[NH+](C)CC1)CC1(CC#N)CC1 ZINC000602797696 344588521 /nfs/dbraw/zinc/58/85/21/344588521.db2.gz JTIKOIWBPHFYCB-UHFFFAOYSA-N 1 3 278.444 1.638 20 30 CDEDHO CN(C)Cc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000264111826 362969824 /nfs/dbraw/zinc/96/98/24/362969824.db2.gz RDVTZDQOAAIQCN-UHFFFAOYSA-N 1 3 262.401 1.951 20 30 CDEDHO C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC001579440539 1172181057 /nfs/dbraw/zinc/18/10/57/1172181057.db2.gz JNFWQWYPQHRKFQ-TZMCWYRMSA-N 1 3 259.353 1.464 20 30 CDEDHO C[NH+](C)C1CCN(CCNCc2cc(C#N)cs2)CC1 ZINC000176989510 372092497 /nfs/dbraw/zinc/09/24/97/372092497.db2.gz KXLZQYACTFNPMR-UHFFFAOYSA-N 1 3 292.452 1.735 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC000579491517 372577311 /nfs/dbraw/zinc/57/73/11/372577311.db2.gz DNCYKHNYDMFBMZ-ZDUSSCGKSA-N 1 3 265.401 1.095 20 30 CDEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291505 376000728 /nfs/dbraw/zinc/00/07/28/376000728.db2.gz KHTWTGPFXOSYQU-INIZCTEOSA-N 1 3 286.423 1.989 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000417518551 377804632 /nfs/dbraw/zinc/80/46/32/377804632.db2.gz CFBOJMVDDNXTMG-UHFFFAOYSA-N 1 3 294.443 1.468 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)N2CCNC[C@@H]2CCC)CC1 ZINC000417529542 377883009 /nfs/dbraw/zinc/88/30/09/377883009.db2.gz PYTMVDSWRCXNPJ-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO C=CCN1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417534901 377893607 /nfs/dbraw/zinc/89/36/07/377893607.db2.gz WIAOMGHLOCQKCK-CQSZACIVSA-N 1 3 294.443 1.468 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C[NH3+])CCCC)CC1 ZINC000417536784 377899890 /nfs/dbraw/zinc/89/98/90/377899890.db2.gz LGSDJIMDMBEUBW-HNNXBMFYSA-N 1 3 296.459 1.844 20 30 CDEDHO C=CCOCCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000339061520 391248829 /nfs/dbraw/zinc/24/88/29/391248829.db2.gz LUAHZPCNKYEPQW-OAHLLOKOSA-N 1 3 281.444 1.289 20 30 CDEDHO C=CCOCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000339061520 391248830 /nfs/dbraw/zinc/24/88/30/391248830.db2.gz LUAHZPCNKYEPQW-OAHLLOKOSA-N 1 3 281.444 1.289 20 30 CDEDHO C=CCOCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000339061520 391248831 /nfs/dbraw/zinc/24/88/31/391248831.db2.gz LUAHZPCNKYEPQW-OAHLLOKOSA-N 1 3 281.444 1.289 20 30 CDEDHO CN(C)CCN(C)CCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000339206726 391269476 /nfs/dbraw/zinc/26/94/76/391269476.db2.gz XFNGDHYTVKHJAS-CABCVRRESA-N 1 3 266.433 1.494 20 30 CDEDHO CN(C)CCN(C)CCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000339206726 391269478 /nfs/dbraw/zinc/26/94/78/391269478.db2.gz XFNGDHYTVKHJAS-CABCVRRESA-N 1 3 266.433 1.494 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779906 391312518 /nfs/dbraw/zinc/31/25/18/391312518.db2.gz MCIVSYTVZWHKMA-XQHKEYJVSA-N 1 3 251.374 1.629 20 30 CDEDHO CC(C#N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345779906 391312521 /nfs/dbraw/zinc/31/25/21/391312521.db2.gz MCIVSYTVZWHKMA-XQHKEYJVSA-N 1 3 251.374 1.629 20 30 CDEDHO CN(CCCNC(=[NH2+])N(C)C1CC1)Cc1ccccc1 ZINC000273325695 263015421 /nfs/dbraw/zinc/01/54/21/263015421.db2.gz HQJGTYZVITUDFI-UHFFFAOYSA-N 1 3 274.412 1.917 20 30 CDEDHO CN(C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288804728 263106103 /nfs/dbraw/zinc/10/61/03/263106103.db2.gz ZOEDWZMTIMPZDD-UHFFFAOYSA-N 1 3 256.300 1.643 20 30 CDEDHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185881479 329334394 /nfs/dbraw/zinc/33/43/94/329334394.db2.gz ATYPTMXMIVOHRM-JKSUJKDBSA-N 1 3 278.444 1.686 20 30 CDEDHO COC1CCN(C2(CNC3=[NH+]CCN3C)CCCC2)CC1 ZINC000262673670 330025915 /nfs/dbraw/zinc/02/59/15/330025915.db2.gz SGIKHDKIZYCDPH-UHFFFAOYSA-N 1 3 294.443 1.301 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)cc1C ZINC000263050484 330040868 /nfs/dbraw/zinc/04/08/68/330040868.db2.gz DKMDSIXDODAIRT-OAHLLOKOSA-N 1 3 289.427 1.587 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1=CCCCC1 ZINC000263153250 330046124 /nfs/dbraw/zinc/04/61/24/330046124.db2.gz PSOQHTDLRYRSRX-CQSZACIVSA-N 1 3 264.417 1.875 20 30 CDEDHO C[C@@H]1CCCN(C(=[NH2+])NCC2=CCN(C)CC2)C1 ZINC000263195123 330048507 /nfs/dbraw/zinc/04/85/07/330048507.db2.gz ZVWUHXYUXHRYIS-GFCCVEGCSA-N 1 3 250.390 1.295 20 30 CDEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423014152 330165299 /nfs/dbraw/zinc/16/52/99/330165299.db2.gz HLQNLDMMVKIAAJ-LJISPDSOSA-N 1 3 252.402 1.681 20 30 CDEDHO C[NH+](C)CC[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000424147558 330293921 /nfs/dbraw/zinc/29/39/21/330293921.db2.gz ROVCHRFMKNVQAW-STQMWFEESA-N 1 3 282.432 1.490 20 30 CDEDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)CCCC#N ZINC000424159219 330306167 /nfs/dbraw/zinc/30/61/67/330306167.db2.gz VDSYQUAJBSZSER-RDBSUJKOSA-N 1 3 278.400 1.093 20 30 CDEDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)CCCC#N ZINC000424159219 330306168 /nfs/dbraw/zinc/30/61/68/330306168.db2.gz VDSYQUAJBSZSER-RDBSUJKOSA-N 1 3 278.400 1.093 20 30 CDEDHO C#CC(C)(C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000491210109 332166772 /nfs/dbraw/zinc/16/67/72/332166772.db2.gz QBBVAIUIPGHEHW-UHFFFAOYSA-N 1 3 265.445 1.746 20 30 CDEDHO C#CC(C)(C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000491210109 332166774 /nfs/dbraw/zinc/16/67/74/332166774.db2.gz QBBVAIUIPGHEHW-UHFFFAOYSA-N 1 3 265.445 1.746 20 30 CDEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC000747404410 576868641 /nfs/dbraw/zinc/86/86/41/576868641.db2.gz JTDQVNATWDFWAU-INIZCTEOSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948240487 613179233 /nfs/dbraw/zinc/17/92/33/613179233.db2.gz GMVCGDAAVABFAJ-LSDHHAIUSA-N 1 3 277.412 1.027 20 30 CDEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948240487 613179234 /nfs/dbraw/zinc/17/92/34/613179234.db2.gz GMVCGDAAVABFAJ-LSDHHAIUSA-N 1 3 277.412 1.027 20 30 CDEDHO C=C(C)CN1CCC(NC(=O)N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000891520211 617458522 /nfs/dbraw/zinc/45/85/22/617458522.db2.gz GGTIFCNFANSERD-HNNXBMFYSA-N 1 3 294.443 1.420 20 30 CDEDHO CC(C)[NH+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912509616 630049732 /nfs/dbraw/zinc/04/97/32/630049732.db2.gz LTCQIAAZPGOILX-ZIAGYGMSSA-N 1 3 296.459 1.592 20 30 CDEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181561 1163597567 /nfs/dbraw/zinc/59/75/67/1163597567.db2.gz CYRCKXJEDAFOAY-CVEARBPZSA-N 1 3 295.471 1.979 20 30 CDEDHO COCC#CCN1CCC2(C[NH2+][C@H]2C(C)C)CC1 ZINC001578948755 1172059085 /nfs/dbraw/zinc/05/90/85/1172059085.db2.gz GCJFOHSNPZAZBR-AWEZNQCLSA-N 1 3 250.386 1.346 20 30 CDEDHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001753786697 1185334630 /nfs/dbraw/zinc/33/46/30/1185334630.db2.gz ZWJZCYXOVHZRKW-OAHLLOKOSA-N 1 3 288.395 1.336 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001754051317 1185442633 /nfs/dbraw/zinc/44/26/33/1185442633.db2.gz GTBKDRUWDFLBNL-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CCNCCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001754051317 1185442637 /nfs/dbraw/zinc/44/26/37/1185442637.db2.gz GTBKDRUWDFLBNL-HOTGVXAUSA-N 1 3 291.439 1.465 20 30 CDEDHO CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001755502662 1185973830 /nfs/dbraw/zinc/97/38/30/1185973830.db2.gz KEDWTJRRJXHAEH-CQSZACIVSA-N 1 3 279.428 1.369 20 30 CDEDHO C#CCN1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992149932 912752268 /nfs/dbraw/zinc/75/22/68/912752268.db2.gz GNDQNEQZQXRDFG-NVXWUHKLSA-N 1 3 289.423 1.075 20 30 CDEDHO CCCCCCCC[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001121931092 913250848 /nfs/dbraw/zinc/25/08/48/913250848.db2.gz CUVQZLJMYFYBKD-UONOGXRCSA-N 1 3 285.432 1.250 20 30 CDEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175766722 913778664 /nfs/dbraw/zinc/77/86/64/913778664.db2.gz ACAQAJSQNKAXHQ-AWEZNQCLSA-N 1 3 267.417 1.226 20 30 CDEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330823 894160187 /nfs/dbraw/zinc/16/01/87/894160187.db2.gz GLILCOXJFUFWCH-CQSZACIVSA-N 1 3 277.412 1.075 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312299 913850858 /nfs/dbraw/zinc/85/08/58/913850858.db2.gz BETIKPOLVNOBRC-RBSFLKMASA-N 1 3 281.444 1.587 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336570 913859820 /nfs/dbraw/zinc/85/98/20/913859820.db2.gz UOZARYJCAVPHMP-HUUCEWRRSA-N 1 3 295.471 1.977 20 30 CDEDHO C#CC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209659429 894802964 /nfs/dbraw/zinc/80/29/64/894802964.db2.gz DGUWQIYUHMDVAP-AWEZNQCLSA-N 1 3 279.428 1.178 20 30 CDEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001021091217 895101078 /nfs/dbraw/zinc/10/10/78/895101078.db2.gz TUQKHOYZPHSYRT-WKILWMFISA-N 1 3 287.407 1.785 20 30 CDEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666266 914115682 /nfs/dbraw/zinc/11/56/82/914115682.db2.gz IMZXHJVKMHJNFE-ARFHVFGLSA-N 1 3 293.455 1.588 20 30 CDEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104638835 898827071 /nfs/dbraw/zinc/82/70/71/898827071.db2.gz FTWRJOOXWCAXBS-BZUAXINKSA-N 1 3 293.455 1.280 20 30 CDEDHO C#CCCN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758190 914396060 /nfs/dbraw/zinc/39/60/60/914396060.db2.gz IDSWOCBZLTUPNJ-GDBMZVCRSA-N 1 3 291.439 1.321 20 30 CDEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027578643 900621174 /nfs/dbraw/zinc/62/11/74/900621174.db2.gz PODCJMQXEDJYII-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027578643 900621178 /nfs/dbraw/zinc/62/11/78/900621178.db2.gz PODCJMQXEDJYII-CABCVRRESA-N 1 3 281.444 1.826 20 30 CDEDHO CC(C)CNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000262011267 904796248 /nfs/dbraw/zinc/79/62/48/904796248.db2.gz UIDHZJQYSSXBMM-STQMWFEESA-N 1 3 254.422 1.810 20 30 CDEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095257 906302909 /nfs/dbraw/zinc/30/29/09/906302909.db2.gz CRQNEGXCYZUSRR-OWCLPIDISA-N 1 3 293.455 1.539 20 30 CDEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095257 906302927 /nfs/dbraw/zinc/30/29/27/906302927.db2.gz CRQNEGXCYZUSRR-OWCLPIDISA-N 1 3 293.455 1.539 20 30 CDEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985653307 906958335 /nfs/dbraw/zinc/95/83/35/906958335.db2.gz LCTJWTPEEVPJQF-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985653307 906958343 /nfs/dbraw/zinc/95/83/43/906958343.db2.gz LCTJWTPEEVPJQF-HNNXBMFYSA-N 1 3 293.455 1.827 20 30 CDEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400823 921474026 /nfs/dbraw/zinc/47/40/26/921474026.db2.gz OLWJLKQTVDFMTR-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189400823 921474029 /nfs/dbraw/zinc/47/40/29/921474029.db2.gz OLWJLKQTVDFMTR-LSDHHAIUSA-N 1 3 279.428 1.580 20 30 CDEDHO C=CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698200 915587246 /nfs/dbraw/zinc/58/72/46/915587246.db2.gz BJVLJCOLNNELIY-OAHLLOKOSA-N 1 3 281.444 1.779 20 30 CDEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131404 916149354 /nfs/dbraw/zinc/14/93/54/916149354.db2.gz CCNJOWNMLWXWAK-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO CCN(CC)C(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000303890237 935047350 /nfs/dbraw/zinc/04/73/50/935047350.db2.gz MMAZAAJMKOZLCE-STQMWFEESA-N 1 3 254.422 1.906 20 30 CDEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC000996313527 918245549 /nfs/dbraw/zinc/24/55/49/918245549.db2.gz DPNHZZXNIYKKRL-QWHCGFSZSA-N 1 3 267.417 1.339 20 30 CDEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001000199186 936526668 /nfs/dbraw/zinc/52/66/68/936526668.db2.gz NWERCVKORPJAJY-OAHLLOKOSA-N 1 3 293.455 1.875 20 30 CDEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185356948 919544345 /nfs/dbraw/zinc/54/43/45/919544345.db2.gz BDJGQXJVIDOILA-HZPDHXFCSA-N 1 3 293.455 1.426 20 30 CDEDHO C=CC[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999404188 919752480 /nfs/dbraw/zinc/75/24/80/919752480.db2.gz TYEWOZVLVKZMRL-IYXRBSQSSA-N 1 3 265.401 1.093 20 30 CDEDHO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185751018 919752814 /nfs/dbraw/zinc/75/28/14/919752814.db2.gz NOHPEOKZQLTCQP-CVEARBPZSA-N 1 3 295.471 1.977 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999683120 919777157 /nfs/dbraw/zinc/77/71/57/919777157.db2.gz WKHASLNDZNVAEZ-IYXRBSQSSA-N 1 3 299.846 1.660 20 30 CDEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999683120 919777172 /nfs/dbraw/zinc/77/71/72/919777172.db2.gz WKHASLNDZNVAEZ-IYXRBSQSSA-N 1 3 299.846 1.660 20 30 CDEDHO C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192384833 923050966 /nfs/dbraw/zinc/05/09/66/923050966.db2.gz AIMMRKSMTGJAGQ-CABCVRRESA-N 1 3 297.443 1.062 20 30 CDEDHO C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001192384833 923050981 /nfs/dbraw/zinc/05/09/81/923050981.db2.gz AIMMRKSMTGJAGQ-CABCVRRESA-N 1 3 297.443 1.062 20 30 CDEDHO C=CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036055972 923094357 /nfs/dbraw/zinc/09/43/57/923094357.db2.gz SECJLUQZIFSPMW-ZIAGYGMSSA-N 1 3 279.428 1.483 20 30 CDEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283954 924160101 /nfs/dbraw/zinc/16/01/01/924160101.db2.gz CQANSVXUXUSZDN-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194283954 924160110 /nfs/dbraw/zinc/16/01/10/924160110.db2.gz CQANSVXUXUSZDN-HNNXBMFYSA-N 1 3 281.444 1.826 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001080310867 924535367 /nfs/dbraw/zinc/53/53/67/924535367.db2.gz HLSATBCWTTWZDI-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310867 924535375 /nfs/dbraw/zinc/53/53/75/924535375.db2.gz HLSATBCWTTWZDI-BZUAXINKSA-N 1 3 293.455 1.731 20 30 CDEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787827 925859561 /nfs/dbraw/zinc/85/95/61/925859561.db2.gz DTSCFFPNAYKQMG-OAHLLOKOSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085973031 926563408 /nfs/dbraw/zinc/56/34/08/926563408.db2.gz NFQCVRWCTMXEMP-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085973031 926563414 /nfs/dbraw/zinc/56/34/14/926563414.db2.gz NFQCVRWCTMXEMP-ZIAGYGMSSA-N 1 3 265.401 1.047 20 30 CDEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653520 929000771 /nfs/dbraw/zinc/00/07/71/929000771.db2.gz VRTJQSYFMKPVMU-ILXRZTDVSA-N 1 3 279.428 1.626 20 30 CDEDHO c1nncn1N=C1CCOC[C@@H]1C[NH+]1CCCCC1 ZINC000787143768 929319132 /nfs/dbraw/zinc/31/91/32/929319132.db2.gz BNTQIMJFZIHVTI-LBPRGKRZSA-N 1 3 263.345 1.005 20 30 CDEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135977759 930587747 /nfs/dbraw/zinc/58/77/47/930587747.db2.gz YNSWLUKOOSSACE-QWHCGFSZSA-N 1 3 289.851 1.954 20 30 CDEDHO C#CC[C@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000886357435 930870193 /nfs/dbraw/zinc/87/01/93/930870193.db2.gz GXCWPOUBUVRKGY-HNNXBMFYSA-N 1 3 291.439 1.321 20 30 CDEDHO C=CCCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274974305 931621704 /nfs/dbraw/zinc/62/17/04/931621704.db2.gz GOPKTUPYZBSINC-IYBDPMFKSA-N 1 3 281.444 1.289 20 30 CDEDHO C=CCN1CCC[C@H]1CNC(=O)C1CC[NH+](CC)CC1 ZINC001146792606 932316757 /nfs/dbraw/zinc/31/67/57/932316757.db2.gz GXKMGXBJCKNKGT-HNNXBMFYSA-N 1 3 279.428 1.485 20 30 CDEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304706544 935086323 /nfs/dbraw/zinc/08/63/23/935086323.db2.gz KWYPKWOCVBODFK-CHWSQXEVSA-N 1 3 284.448 1.436 20 30 CDEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663245 935188333 /nfs/dbraw/zinc/18/83/33/935188333.db2.gz NMQCMBITFPIQNM-OAHLLOKOSA-N 1 3 279.428 1.485 20 30 CDEDHO C[C@@H](CNC(=[NH2+])N(C)C1CC1)N1CCC[C@@H](C)C1 ZINC000305807909 935218318 /nfs/dbraw/zinc/21/83/18/935218318.db2.gz HJSIEGRVWZAYIO-NEPJUHHUSA-N 1 3 252.406 1.516 20 30 CDEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386701 935703622 /nfs/dbraw/zinc/70/36/22/935703622.db2.gz TZVUMDCUNJYOOX-AWEZNQCLSA-N 1 3 279.428 1.485 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569868 935960269 /nfs/dbraw/zinc/96/02/69/935960269.db2.gz PFKCGMTYIZLPNM-ZOBUZTSGSA-N 1 3 293.455 1.873 20 30 CDEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569868 935960271 /nfs/dbraw/zinc/96/02/71/935960271.db2.gz PFKCGMTYIZLPNM-ZOBUZTSGSA-N 1 3 293.455 1.873 20 30 CDEDHO CCOCCC[N@@H+]1CC[C@H](NCCO[C@H](C)C#N)[C@@H](C)C1 ZINC000801943177 936017902 /nfs/dbraw/zinc/01/79/02/936017902.db2.gz MNWSLDXNQDHARJ-XHSDSOJGSA-N 1 3 297.443 1.642 20 30 CDEDHO CCOCCC[N@H+]1CC[C@H](NCCO[C@H](C)C#N)[C@@H](C)C1 ZINC000801943177 936017906 /nfs/dbraw/zinc/01/79/06/936017906.db2.gz MNWSLDXNQDHARJ-XHSDSOJGSA-N 1 3 297.443 1.642 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@H]([NH3+])C[C@H](C)CC)CC1 ZINC001121998376 937897978 /nfs/dbraw/zinc/89/79/78/937897978.db2.gz XLHMCOJRBCWJHH-TZMCWYRMSA-N 1 3 267.417 1.517 20 30 CDEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(C#N)cc(Cl)n1 ZINC001163122111 939204244 /nfs/dbraw/zinc/20/42/44/939204244.db2.gz BNSZRSDWLAEHGH-UHFFFAOYSA-N 1 3 294.790 1.885 20 30 CDEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCC)C12CCC2 ZINC001203651345 939699703 /nfs/dbraw/zinc/69/97/03/939699703.db2.gz NBCBLCIAQUTHEA-LSDHHAIUSA-N 1 3 293.455 1.921 20 30 CDEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461860 939890741 /nfs/dbraw/zinc/89/07/41/939890741.db2.gz QECQSPMTOJAROA-OAHLLOKOSA-N 1 3 279.428 1.341 20 30 CDEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414496 940330609 /nfs/dbraw/zinc/33/06/09/940330609.db2.gz RFBATQGOTQOROV-HUUCEWRRSA-N 1 3 281.444 1.873 20 30 CDEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209632975 940620498 /nfs/dbraw/zinc/62/04/98/940620498.db2.gz QNAPSSDQAZAOOC-GJZGRUSLSA-N 1 3 279.428 1.627 20 30 CDEDHO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218629136 941247678 /nfs/dbraw/zinc/24/76/78/941247678.db2.gz XQHLMNKCNPLQHF-NSHDSACASA-N 1 3 296.330 1.052 20 30 CDEDHO CCc1cc(NC(=O)[C@H](N)CCC[NH3+])cc(CC)c1C#N ZINC001219112515 941309638 /nfs/dbraw/zinc/30/96/38/941309638.db2.gz KEULZIVMCLEAHN-OAHLLOKOSA-N 1 3 288.395 1.688 20 30 CDEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221292935 941514051 /nfs/dbraw/zinc/51/40/51/941514051.db2.gz WNKJJXDYIBNVCM-ZFWWWQNUSA-N 1 3 292.427 1.305 20 30 CDEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221292935 941514053 /nfs/dbraw/zinc/51/40/53/941514053.db2.gz WNKJJXDYIBNVCM-ZFWWWQNUSA-N 1 3 292.427 1.305 20 30 CDEDHO C=C(C)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223457938 941679116 /nfs/dbraw/zinc/67/91/16/941679116.db2.gz UBDZMTUGABQTPW-UHFFFAOYSA-N 1 3 293.455 1.875 20 30 CDEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001263111186 943751672 /nfs/dbraw/zinc/75/16/72/943751672.db2.gz VBENSUUWHDKLJF-AWEZNQCLSA-N 1 3 267.417 1.659 20 30 CDEDHO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCCN(C)CC1 ZINC001254507489 947470695 /nfs/dbraw/zinc/47/06/95/947470695.db2.gz CABHFYBNIRKOSN-GJZGRUSLSA-N 1 3 251.418 1.711 20 30 CDEDHO C=C[C@@](C)(O)CN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252549295 951437598 /nfs/dbraw/zinc/43/75/98/951437598.db2.gz HZQLANCXGLYYDC-IAGOWNOFSA-N 1 3 296.455 1.746 20 30 CDEDHO C=C[C@@](C)(O)CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252549295 951437606 /nfs/dbraw/zinc/43/76/06/951437606.db2.gz HZQLANCXGLYYDC-IAGOWNOFSA-N 1 3 296.455 1.746 20 30 CDEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495208189 972437096 /nfs/dbraw/zinc/43/70/96/972437096.db2.gz BQPYMDOABYKAMD-CYBMUJFWSA-N 1 3 299.846 1.709 20 30 CDEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001495208189 972437097 /nfs/dbraw/zinc/43/70/97/972437097.db2.gz BQPYMDOABYKAMD-CYBMUJFWSA-N 1 3 299.846 1.709 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001340805810 963133633 /nfs/dbraw/zinc/13/36/33/963133633.db2.gz AVYXULYSABPHOC-KGLIPLIRSA-N 1 3 267.417 1.661 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001353726298 968187733 /nfs/dbraw/zinc/18/77/33/968187733.db2.gz AFNZBRGRRGBILE-IHRRRGAJSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001353726298 968187739 /nfs/dbraw/zinc/18/77/39/968187739.db2.gz AFNZBRGRRGBILE-IHRRRGAJSA-N 1 3 267.417 1.469 20 30 CDEDHO C=CC[NH2+]C1CC(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001100730753 969031472 /nfs/dbraw/zinc/03/14/72/969031472.db2.gz NWOKBNMHUGFREQ-FHERZECASA-N 1 3 293.455 1.921 20 30 CDEDHO C#Cc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000849037970 969422871 /nfs/dbraw/zinc/42/28/71/969422871.db2.gz DJIQRRKHRZDSFM-MRXNPFEDSA-N 1 3 284.407 1.766 20 30 CDEDHO CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001358259674 969714426 /nfs/dbraw/zinc/71/44/26/969714426.db2.gz RDQRKXWVRKKCDY-HZSPNIEDSA-N 1 3 269.433 1.870 20 30 CDEDHO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888920 1163501786 /nfs/dbraw/zinc/50/17/86/1163501786.db2.gz SUPDNDDQNOZXIO-GJZGRUSLSA-N 1 3 291.439 1.178 20 30 CDEDHO C=CC[C@H](CO)C[NH2+]Cc1cc2c(s1)CCNC2 ZINC001574888432 1171036933 /nfs/dbraw/zinc/03/69/33/1171036933.db2.gz DNPAKXKXKLTIPR-NSHDSACASA-N 1 3 266.410 1.668 20 30 CDEDHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1(C)C ZINC000442869148 362098810 /nfs/dbraw/zinc/09/88/10/362098810.db2.gz IKFBLPRXSZXVDN-HUUCEWRRSA-N 1 3 278.444 1.684 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595992427 343213325 /nfs/dbraw/zinc/21/33/25/343213325.db2.gz QSUUMVLQAMFALP-CABCVRRESA-N 1 3 292.427 1.246 20 30 CDEDHO N#CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992427 343213327 /nfs/dbraw/zinc/21/33/27/343213327.db2.gz QSUUMVLQAMFALP-CABCVRRESA-N 1 3 292.427 1.246 20 30 CDEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000090106749 342395523 /nfs/dbraw/zinc/39/55/23/342395523.db2.gz MQVMZLHNEVSGSG-CJNGLKHVSA-N 1 3 273.380 1.867 20 30 CDEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000090106749 342395524 /nfs/dbraw/zinc/39/55/24/342395524.db2.gz MQVMZLHNEVSGSG-CJNGLKHVSA-N 1 3 273.380 1.867 20 30 CDEDHO C[NH+](C)CC1(CNC[C@@H](O)CC(C)(C)C#N)CCCC1 ZINC000598722821 343884808 /nfs/dbraw/zinc/88/48/08/343884808.db2.gz BKCUPJPJZCAMDF-AWEZNQCLSA-N 1 3 281.444 1.999 20 30 CDEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000602526055 344454034 /nfs/dbraw/zinc/45/40/34/344454034.db2.gz OCITYELSZAKAJN-CABCVRRESA-N 1 3 295.427 1.132 20 30 CDEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612972176 347349637 /nfs/dbraw/zinc/34/96/37/347349637.db2.gz YXGPMTPRSNACPC-CQSZACIVSA-N 1 3 292.427 1.078 20 30 CDEDHO C#CCN(C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000491663450 347585930 /nfs/dbraw/zinc/58/59/30/347585930.db2.gz MVWAJXNHJFYCDA-MRXNPFEDSA-N 1 3 293.455 1.568 20 30 CDEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(O)c1 ZINC000264079363 362960218 /nfs/dbraw/zinc/96/02/18/362960218.db2.gz IFDZDILQWXVMEC-ZDUSSCGKSA-N 1 3 276.384 1.281 20 30 CDEDHO CN(CCC(=O)N(C)CCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000092797670 360285838 /nfs/dbraw/zinc/28/58/38/360285838.db2.gz ZONLCKAJUAWZJE-CQSZACIVSA-N 1 3 280.416 1.022 20 30 CDEDHO CN(CCC(=O)N(C)CCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092797670 360285843 /nfs/dbraw/zinc/28/58/43/360285843.db2.gz ZONLCKAJUAWZJE-CQSZACIVSA-N 1 3 280.416 1.022 20 30 CDEDHO C=CCN(CC=C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431032494 360972710 /nfs/dbraw/zinc/97/27/10/360972710.db2.gz JQAUKBCPYBJJIO-UHFFFAOYSA-N 1 3 277.412 1.263 20 30 CDEDHO COc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1C#N ZINC000414800106 241394603 /nfs/dbraw/zinc/39/46/03/241394603.db2.gz KSFFKFMCQAWGJA-GXTWGEPZSA-N 1 3 259.353 1.784 20 30 CDEDHO CN1CCC(O)(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000330664402 203092422 /nfs/dbraw/zinc/09/24/22/203092422.db2.gz FZKUJPJRBLWNFB-UHFFFAOYSA-N 1 3 265.382 1.166 20 30 CDEDHO N#CCC[C@H](C#N)CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000582421095 370617703 /nfs/dbraw/zinc/61/77/03/370617703.db2.gz WNIFMGJKNJYGDI-HUUCEWRRSA-N 1 3 278.400 1.256 20 30 CDEDHO N#CCC[C@H](C#N)CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000582421095 370617706 /nfs/dbraw/zinc/61/77/06/370617706.db2.gz WNIFMGJKNJYGDI-HUUCEWRRSA-N 1 3 278.400 1.256 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CCC[C@@H](C)C1 ZINC000249855918 261258827 /nfs/dbraw/zinc/25/88/27/261258827.db2.gz DDBMWWNWCPSALE-MGPQQGTHSA-N 1 3 282.432 1.190 20 30 CDEDHO C[C@@H](CCNC1=[NH+]C[C@@H](C)N1)N(C)Cc1ccccc1 ZINC000285041653 377738965 /nfs/dbraw/zinc/73/89/65/377738965.db2.gz KOABOAUQECMVDU-KGLIPLIRSA-N 1 3 274.412 1.834 20 30 CDEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000336506064 391165953 /nfs/dbraw/zinc/16/59/53/391165953.db2.gz WZGPHKURWGFFSH-UHFFFAOYSA-N 1 3 294.443 1.374 20 30 CDEDHO C[C@@H](CN)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423306846 392960196 /nfs/dbraw/zinc/96/01/96/392960196.db2.gz MDELLVCCEYZCDU-AWEZNQCLSA-N 1 3 286.423 1.707 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357811198 266369421 /nfs/dbraw/zinc/36/94/21/266369421.db2.gz DXXKSPSVGGPHOX-FRRDWIJNSA-N 1 3 251.374 1.630 20 30 CDEDHO CC(C#N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357811198 266369425 /nfs/dbraw/zinc/36/94/25/266369425.db2.gz DXXKSPSVGGPHOX-FRRDWIJNSA-N 1 3 251.374 1.630 20 30 CDEDHO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC000171714449 329078937 /nfs/dbraw/zinc/07/89/37/329078937.db2.gz ZUHJALBWONAHRY-OAHLLOKOSA-N 1 3 279.428 1.627 20 30 CDEDHO C=CCN1CCC(NC(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000134596513 329659803 /nfs/dbraw/zinc/65/98/03/329659803.db2.gz ILRVJADZJVUDIE-OAHLLOKOSA-N 1 3 265.401 1.285 20 30 CDEDHO C=CCN1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422857958 330157940 /nfs/dbraw/zinc/15/79/40/330157940.db2.gz HUWMJQXIQMDZGK-DZGCQCFKSA-N 1 3 251.418 1.615 20 30 CDEDHO N#CCCC[C@H](N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000424127367 330259300 /nfs/dbraw/zinc/25/93/00/330259300.db2.gz CREABCHCSWUOMO-HNNXBMFYSA-N 1 3 292.427 1.342 20 30 CDEDHO C[C@@H]1CCC[C@](CNC(=O)[C@@H](N)CCCC#N)([NH+](C)C)C1 ZINC000424164195 330308202 /nfs/dbraw/zinc/30/82/02/330308202.db2.gz YMADJSPKQRKGNG-YCPHGPKFSA-N 1 3 294.443 1.634 20 30 CDEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000491252163 332174248 /nfs/dbraw/zinc/17/42/48/332174248.db2.gz FXNRSYWCZKGONI-UHFFFAOYSA-N 1 3 294.443 1.114 20 30 CDEDHO C#CCNC(=O)CCNCCC[N@@H+](C)Cc1ccccc1 ZINC000491753898 332329179 /nfs/dbraw/zinc/32/91/79/332329179.db2.gz QJQHSMSHEAPYCA-UHFFFAOYSA-N 1 3 287.407 1.238 20 30 CDEDHO C#CCNC(=O)CCNCCC[N@H+](C)Cc1ccccc1 ZINC000491753898 332329180 /nfs/dbraw/zinc/32/91/80/332329180.db2.gz QJQHSMSHEAPYCA-UHFFFAOYSA-N 1 3 287.407 1.238 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024929 1159504952 /nfs/dbraw/zinc/50/49/52/1159504952.db2.gz LLIRYCZVXSFOHR-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C#CCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755024929 1159504955 /nfs/dbraw/zinc/50/49/55/1159504955.db2.gz LLIRYCZVXSFOHR-JKSUJKDBSA-N 1 3 291.439 1.465 20 30 CDEDHO C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CCC(C)CC1 ZINC000261699443 1159943914 /nfs/dbraw/zinc/94/39/14/1159943914.db2.gz CHKNUOQBRJVRBD-ZIAGYGMSSA-N 1 3 282.432 1.190 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)CC1 ZINC000669465242 483172933 /nfs/dbraw/zinc/17/29/33/483172933.db2.gz DGRGJIQKJSGHGU-DZGCQCFKSA-N 1 3 294.443 1.406 20 30 CDEDHO C#CCCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000760215575 576466853 /nfs/dbraw/zinc/46/68/53/576466853.db2.gz HTNUAGLMPREESR-INIZCTEOSA-N 1 3 293.455 1.664 20 30 CDEDHO C#CCCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000760215575 576466855 /nfs/dbraw/zinc/46/68/55/576466855.db2.gz HTNUAGLMPREESR-INIZCTEOSA-N 1 3 293.455 1.664 20 30 CDEDHO C=C(C)CN1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690049436 1175359399 /nfs/dbraw/zinc/35/93/99/1175359399.db2.gz SCPBJJQUJXAPDL-HNNXBMFYSA-N 1 3 281.444 1.875 20 30 CDEDHO C#CC[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000963912993 612955444 /nfs/dbraw/zinc/95/54/44/612955444.db2.gz SEUDBYIMUGFDCM-QQFBHYJXSA-N 1 3 291.439 1.463 20 30 CDEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960519941 613837072 /nfs/dbraw/zinc/83/70/72/613837072.db2.gz NKSXMEQOZBEARF-FICVDOATSA-N 1 3 289.423 1.095 20 30 CDEDHO C=CCN1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891521506 617460000 /nfs/dbraw/zinc/46/00/00/617460000.db2.gz HTZNSLYJPTVSOD-AWEZNQCLSA-N 1 3 294.443 1.550 20 30 CDEDHO C=C(C)CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947362 1162511389 /nfs/dbraw/zinc/51/13/89/1162511389.db2.gz WWCFWVGNGANVSB-ZDUSSCGKSA-N 1 3 255.406 1.245 20 30 CDEDHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001130197038 1162568425 /nfs/dbraw/zinc/56/84/25/1162568425.db2.gz BOTNWWXSDDHYKZ-CYBMUJFWSA-N 1 3 294.424 1.166 20 30 CDEDHO C=CCN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273232 1163224608 /nfs/dbraw/zinc/22/46/08/1163224608.db2.gz FGBPGYACIDDCMS-QWHCGFSZSA-N 1 3 253.390 1.093 20 30 CDEDHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000877200602 1165993620 /nfs/dbraw/zinc/99/36/20/1165993620.db2.gz MQOZWLBECFWLJX-HNNXBMFYSA-N 1 3 294.443 1.634 20 30 CDEDHO C=CC1(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[NH2+]C1 ZINC001574881079 1171036452 /nfs/dbraw/zinc/03/64/52/1171036452.db2.gz ZJVFFLOEAQNPKP-INIZCTEOSA-N 1 3 299.418 1.543 20 30 CDEDHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001714236624 1179037872 /nfs/dbraw/zinc/03/78/72/1179037872.db2.gz UWJWWZDVCAJCGI-HOTGVXAUSA-N 1 3 293.455 1.568 20 30 CDEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001717201986 1180570100 /nfs/dbraw/zinc/57/01/00/1180570100.db2.gz MGEWOWADXHNESQ-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001717201986 1180570104 /nfs/dbraw/zinc/57/01/04/1180570104.db2.gz MGEWOWADXHNESQ-LSDHHAIUSA-N 1 3 281.444 1.873 20 30 CDEDHO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001734329171 1183734929 /nfs/dbraw/zinc/73/49/29/1183734929.db2.gz CLMVMSRXDQZDSQ-KBPBESRZSA-N 1 3 269.433 1.585 20 30 CDEDHO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001755478800 1185964006 /nfs/dbraw/zinc/96/40/06/1185964006.db2.gz QBASVLMFVWVHIT-HDJSIYSDSA-N 1 3 281.444 1.635 20 30 CDEDHO