smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC([NH3+])(CC)CNc1ccncc1Br ZINC000159922160 521650465 /nfs/dbraw/zinc/65/04/65/521650465.db2.gz CKAYOOXIXBDRLA-UHFFFAOYSA-N 1 0 272.190 2.774 10 70 CFIERO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1cccnc1 ZINC000161020842 522810284 /nfs/dbraw/zinc/81/02/84/522810284.db2.gz ICKVUKYZJSXGAB-UHFFFAOYSA-N 1 0 287.382 2.785 10 70 CFIERO CCn1cc(C2CC[NH+](CCc3ccncc3)CC2)cn1 ZINC000160637335 523356786 /nfs/dbraw/zinc/35/67/86/523356786.db2.gz GLNGBEMFQCRLRB-UHFFFAOYSA-N 1 0 284.407 2.720 10 70 CFIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000161306972 523601025 /nfs/dbraw/zinc/60/10/25/523601025.db2.gz BCFRAAHZJFUZHA-CQSZACIVSA-N 1 0 288.370 2.817 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000161024264 523663552 /nfs/dbraw/zinc/66/35/52/523663552.db2.gz TVALLXDTQYXOGS-IAGOWNOFSA-N 1 0 295.398 2.732 10 70 CFIERO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)n1 ZINC000159801107 524850052 /nfs/dbraw/zinc/85/00/52/524850052.db2.gz CFOYUYFMOJDACN-HOCLYGCPSA-N 1 0 292.423 2.703 10 70 CFIERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000161045877 526923975 /nfs/dbraw/zinc/92/39/75/526923975.db2.gz DGXMLKAIWYLISL-CQSZACIVSA-N 1 0 289.354 2.972 10 70 CFIERO Cn1nccc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000160521147 527599332 /nfs/dbraw/zinc/59/93/32/527599332.db2.gz UPPDEZYTBVFVFW-UHFFFAOYSA-N 1 0 273.355 2.939 10 70 CFIERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000217648767 539659963 /nfs/dbraw/zinc/65/99/63/539659963.db2.gz BDPGIJZGQXEEKZ-KZNAEPCWSA-N 1 0 288.435 2.544 10 70 CFIERO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000218295241 539690315 /nfs/dbraw/zinc/69/03/15/539690315.db2.gz LRJRWCROHZJRSY-NUEKZKHPSA-N 1 0 277.408 2.909 10 70 CFIERO [NH3+]C[C@H]1CCCN1C(=O)CSCc1cccc(Cl)c1 ZINC000160161572 188458203 /nfs/dbraw/zinc/45/82/03/188458203.db2.gz DBXANKRWDQIQOM-CYBMUJFWSA-N 1 0 298.839 2.523 10 70 CFIERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC000161246712 188517636 /nfs/dbraw/zinc/51/76/36/188517636.db2.gz REWOOSNNCGLANI-YGRLFVJLSA-N 1 0 284.350 2.872 10 70 CFIERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209500 540691439 /nfs/dbraw/zinc/69/14/39/540691439.db2.gz STJNBCPEQSDELR-JQWIXIFHSA-N 1 0 292.379 2.898 10 70 CFIERO CCSCC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000160088936 378747045 /nfs/dbraw/zinc/74/70/45/378747045.db2.gz WSCSFDOZEKRIFH-AWEZNQCLSA-N 1 0 279.453 2.877 10 70 CFIERO CCC[C@H](C(=O)N[C@H](C)c1ccccc1C)[NH+](C)C ZINC000161241895 378832463 /nfs/dbraw/zinc/83/24/63/378832463.db2.gz MMDWIPSXLWZWOV-UKRRQHHQSA-N 1 0 262.397 2.903 10 70 CFIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000161239814 378832689 /nfs/dbraw/zinc/83/26/89/378832689.db2.gz LJBDLXPJNDSCEF-RRFJBIMHSA-N 1 0 292.810 2.654 10 70 CFIERO CC(C)C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160609875 394366781 /nfs/dbraw/zinc/36/67/81/394366781.db2.gz KRMWOINXIKMVDP-ZDUSSCGKSA-N 1 0 262.401 2.797 10 70 CFIERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160226324 322334660 /nfs/dbraw/zinc/33/46/60/322334660.db2.gz KZBVDOGMHAMTFU-ZIAGYGMSSA-N 1 0 262.397 2.950 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC000160436374 322338031 /nfs/dbraw/zinc/33/80/31/322338031.db2.gz HNFPZTILGALOHG-CVEARBPZSA-N 1 0 296.455 2.572 10 70 CFIERO C[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000159608609 524385185 /nfs/dbraw/zinc/38/51/85/524385185.db2.gz QFQJNLJLFQQJIC-XJKSGUPXSA-N 1 0 288.391 2.788 10 70 CFIERO CC[N@H+](Cc1c(F)cccc1F)C[C@@](C)(O)CC ZINC000160814937 528761112 /nfs/dbraw/zinc/76/11/12/528761112.db2.gz YULYVHXGGBNIOK-AWEZNQCLSA-N 1 0 257.324 2.948 10 70 CFIERO C[C@H](C(=O)OC(C)(C)C)N(C)CCC[NH+]1CCCCC1 ZINC000161398452 232251930 /nfs/dbraw/zinc/25/19/30/232251930.db2.gz PYIXQXLKHLDSKJ-CQSZACIVSA-N 1 0 284.444 2.524 10 70 CFIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000217625417 539659568 /nfs/dbraw/zinc/65/95/68/539659568.db2.gz MTXPXVXELWOCSE-YSVLISHTSA-N 1 0 285.391 2.826 10 70 CFIERO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)ccc1F ZINC000218233654 539687739 /nfs/dbraw/zinc/68/77/39/539687739.db2.gz FFJMLGLGEFOULI-WCFLWFBJSA-N 1 0 267.344 2.788 10 70 CFIERO Cc1c(C[NH2+]C[C@H]2CCCc3ccccc32)cnn1C ZINC000159721310 188437963 /nfs/dbraw/zinc/43/79/63/188437963.db2.gz QEIZQDTZDPSQCY-OAHLLOKOSA-N 1 0 269.392 2.938 10 70 CFIERO CCC[C@@H]([NH3+])C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108339 378748342 /nfs/dbraw/zinc/74/83/42/378748342.db2.gz XEJGPRJMIZIONH-OAHLLOKOSA-N 1 0 292.423 2.607 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160775913 378797930 /nfs/dbraw/zinc/79/79/30/378797930.db2.gz NFYFTJCOTXMWNL-HOCLYGCPSA-N 1 0 263.381 2.646 10 70 CFIERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)[NH+](C)C ZINC000161248685 378833903 /nfs/dbraw/zinc/83/39/03/378833903.db2.gz MBLJTKYIBZNVBE-YGRLFVJLSA-N 1 0 284.350 2.872 10 70 CFIERO CCC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)[NH+](C)C ZINC000161170564 276282127 /nfs/dbraw/zinc/28/21/27/276282127.db2.gz WFRQEMSYXHGOQP-GOEBONIOSA-N 1 0 276.424 2.854 10 70 CFIERO C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000159770088 298377073 /nfs/dbraw/zinc/37/70/73/298377073.db2.gz HMHJXLDFIOHPPY-AGIUHOORSA-N 1 0 254.418 2.835 10 70 CFIERO CCC[C@H](C(=O)NCC1(c2ccccc2)CCC1)[NH+](C)C ZINC000161369861 322351047 /nfs/dbraw/zinc/35/10/47/322351047.db2.gz YPISMYIVNCRNJC-MRXNPFEDSA-N 1 0 288.435 2.955 10 70 CFIERO COc1c(C[NH2+]C[C@H]2CCC[C@H](C)C2)c(C)nn1C ZINC000218238252 521832917 /nfs/dbraw/zinc/83/29/17/521832917.db2.gz TWZKONKHZPJMSC-AAEUAGOBSA-N 1 0 265.401 2.653 10 70 CFIERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(CO)CCCC2)c1C ZINC000160112590 523659674 /nfs/dbraw/zinc/65/96/74/523659674.db2.gz XHWZREXRTMJCCZ-GFCCVEGCSA-N 1 0 279.428 2.723 10 70 CFIERO C[C@@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159917158 524261272 /nfs/dbraw/zinc/26/12/72/524261272.db2.gz JATKATKYWRBAPD-CYBMUJFWSA-N 1 0 250.361 2.742 10 70 CFIERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1nnc2ccccn21 ZINC000217641027 525633697 /nfs/dbraw/zinc/63/36/97/525633697.db2.gz CXBIXMMJZIQXLV-YNEHKIRRSA-N 1 0 258.369 2.959 10 70 CFIERO c1cc(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n[nH]1 ZINC000160546543 526418374 /nfs/dbraw/zinc/41/83/74/526418374.db2.gz KZNDEXCUIOHJGC-UHFFFAOYSA-N 1 0 299.374 2.561 10 70 CFIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1nc2ccccc2n1C ZINC000217642326 539660361 /nfs/dbraw/zinc/66/03/61/539660361.db2.gz PEVPSLDGRIXOMR-RWMBFGLXSA-N 1 0 273.380 2.527 10 70 CFIERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000217677565 539661640 /nfs/dbraw/zinc/66/16/40/539661640.db2.gz ZHBUFWUHTFZTIZ-AEGPPILISA-N 1 0 263.381 2.519 10 70 CFIERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217660206 539662087 /nfs/dbraw/zinc/66/20/87/539662087.db2.gz OTHPCMNCILZLNT-BFHYXJOUSA-N 1 0 263.381 2.958 10 70 CFIERO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000160232802 188461167 /nfs/dbraw/zinc/46/11/67/188461167.db2.gz OJQOLKUDZNKBQI-OUAUKWLOSA-N 1 0 299.201 2.657 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H]1CCCc2sccc21)[NH+](C)C ZINC000159982112 188449982 /nfs/dbraw/zinc/44/99/82/188449982.db2.gz DBKPFCCIOSTALI-OLZOCXBDSA-N 1 0 280.437 2.972 10 70 CFIERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000159940005 540665154 /nfs/dbraw/zinc/66/51/54/540665154.db2.gz XKMPANVSVLVLAW-AEGPPILISA-N 1 0 260.381 2.547 10 70 CFIERO [NH3+]C[C@@H]1CCCN1C(=O)CSCc1cccc(Cl)c1 ZINC000160161695 378751775 /nfs/dbraw/zinc/75/17/75/378751775.db2.gz DBXANKRWDQIQOM-ZDUSSCGKSA-N 1 0 298.839 2.523 10 70 CFIERO Cc1c(C[NH2+]C[C@@H]2CCCc3ccccc32)cnn1C ZINC000159721190 378725951 /nfs/dbraw/zinc/72/59/51/378725951.db2.gz QEIZQDTZDPSQCY-HNNXBMFYSA-N 1 0 269.392 2.938 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC000160423922 378771883 /nfs/dbraw/zinc/77/18/83/378771883.db2.gz SATDZYZFCXXVHA-MRXNPFEDSA-N 1 0 292.398 2.605 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccsc1 ZINC000160541966 378781089 /nfs/dbraw/zinc/78/10/89/378781089.db2.gz PQRZEIIDGCLUJW-CQSZACIVSA-N 1 0 280.437 2.527 10 70 CFIERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000160637829 378788230 /nfs/dbraw/zinc/78/82/30/378788230.db2.gz RIIKLSISVYVXRV-LSDHHAIUSA-N 1 0 283.799 2.874 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccccc1C)[NH+](C)C ZINC000161241535 378832816 /nfs/dbraw/zinc/83/28/16/378832816.db2.gz MMDWIPSXLWZWOV-ZFWWWQNUSA-N 1 0 262.397 2.903 10 70 CFIERO Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160918648 378809097 /nfs/dbraw/zinc/80/90/97/378809097.db2.gz NCKZQOFCSLFUSP-KZNAEPCWSA-N 1 0 289.419 2.655 10 70 CFIERO CCC[C@@H](C(=O)Nc1cnc2ccccc2c1)[NH+](C)C ZINC000161383226 378843243 /nfs/dbraw/zinc/84/32/43/378843243.db2.gz CEISJADMLLIERD-HNNXBMFYSA-N 1 0 271.364 2.904 10 70 CFIERO CC(C)[C@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159724690 322327552 /nfs/dbraw/zinc/32/75/52/322327552.db2.gz QQGDZOROQHKFRN-AWEZNQCLSA-N 1 0 283.460 2.794 10 70 CFIERO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000161133536 322347526 /nfs/dbraw/zinc/34/75/26/322347526.db2.gz QQWYOVVMNDBBHI-SJORKVTESA-N 1 0 290.451 2.757 10 70 CFIERO CCC[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)C ZINC000161266360 322349865 /nfs/dbraw/zinc/34/98/65/322349865.db2.gz MFMLQHMSALZULP-AWEZNQCLSA-N 1 0 252.402 2.723 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000161420670 523491936 /nfs/dbraw/zinc/49/19/36/523491936.db2.gz XWEXTKDWAQABQR-KRWDZBQOSA-N 1 0 276.424 2.748 10 70 CFIERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160231876 523986564 /nfs/dbraw/zinc/98/65/64/523986564.db2.gz FEVJPQCIOIQCEA-BFHYXJOUSA-N 1 0 262.397 2.949 10 70 CFIERO [NH3+]Cc1ccc(CNc2nnc(C(F)(F)F)s2)cc1 ZINC000160293887 348016966 /nfs/dbraw/zinc/01/69/66/348016966.db2.gz YHTKVIUNKDKLAL-UHFFFAOYSA-N 1 0 288.298 2.628 10 70 CFIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000217625566 539659104 /nfs/dbraw/zinc/65/91/04/539659104.db2.gz MTXPXVXELWOCSE-JLJPHGGASA-N 1 0 285.391 2.826 10 70 CFIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000217641586 539659144 /nfs/dbraw/zinc/65/91/44/539659144.db2.gz MGNZECMXHLWACQ-AEGPPILISA-N 1 0 291.391 2.802 10 70 CFIERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1OC ZINC000217618369 539659172 /nfs/dbraw/zinc/65/91/72/539659172.db2.gz ATHVLOJLGMBHCC-AEGPPILISA-N 1 0 293.407 2.528 10 70 CFIERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000217677401 539661694 /nfs/dbraw/zinc/66/16/94/539661694.db2.gz ZHBUFWUHTFZTIZ-NWANDNLSSA-N 1 0 263.381 2.519 10 70 CFIERO CC(C)[N@H+](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159999757 378741564 /nfs/dbraw/zinc/74/15/64/378741564.db2.gz SYWLWKIIQJYHAF-AWEZNQCLSA-N 1 0 290.407 2.745 10 70 CFIERO CCCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160511476 394366392 /nfs/dbraw/zinc/36/63/92/394366392.db2.gz XWSXJBHBRFWDNB-CQSZACIVSA-N 1 0 254.418 2.803 10 70 CFIERO CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159551286 276409084 /nfs/dbraw/zinc/40/90/84/276409084.db2.gz NKBSRYRMJCCAFA-KBPBESRZSA-N 1 0 290.407 2.745 10 70 CFIERO CCC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000160366033 322336760 /nfs/dbraw/zinc/33/67/60/322336760.db2.gz XLSBUBWQZJASDL-HOTGVXAUSA-N 1 0 274.408 2.911 10 70 CFIERO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160572265 322340073 /nfs/dbraw/zinc/34/00/73/322340073.db2.gz BSPBFVBUAOOIME-JKSUJKDBSA-N 1 0 278.440 2.805 10 70 CFIERO CCCC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160189199 519876587 /nfs/dbraw/zinc/87/65/87/519876587.db2.gz AFFHBCULKYQJRL-HNNXBMFYSA-N 1 0 266.429 2.947 10 70 CFIERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000159603880 522523422 /nfs/dbraw/zinc/52/34/22/522523422.db2.gz HIPBWMXZMZEUSL-KBPBESRZSA-N 1 0 284.407 2.815 10 70 CFIERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1csc(C)n1 ZINC000218134945 523310359 /nfs/dbraw/zinc/31/03/59/523310359.db2.gz PQHUZIXYAYBCBH-JKSUJKDBSA-N 1 0 293.480 2.943 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000161024153 523493918 /nfs/dbraw/zinc/49/39/18/523493918.db2.gz TVALLXDTQYXOGS-SJORKVTESA-N 1 0 295.398 2.732 10 70 CFIERO Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)c1 ZINC000160251377 524875910 /nfs/dbraw/zinc/87/59/10/524875910.db2.gz VEBTVXCHZWQWSD-UONOGXRCSA-N 1 0 262.397 2.806 10 70 CFIERO COc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000160655629 525935795 /nfs/dbraw/zinc/93/57/95/525935795.db2.gz PRNKDFPURNGGLB-UHFFFAOYSA-N 1 0 271.364 2.798 10 70 CFIERO Cc1nc(CCN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cs1 ZINC000218133489 526814145 /nfs/dbraw/zinc/81/41/45/526814145.db2.gz PTUIRIWDHJORTB-WFASDCNBSA-N 1 0 279.453 2.553 10 70 CFIERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160964414 527448970 /nfs/dbraw/zinc/44/89/70/527448970.db2.gz BHWLRHBMOSWVDJ-OAHLLOKOSA-N 1 0 295.390 2.504 10 70 CFIERO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159371901 527525416 /nfs/dbraw/zinc/52/54/16/527525416.db2.gz PLWFRQPWVJASJL-SJORKVTESA-N 1 0 290.451 2.946 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000161464216 529373816 /nfs/dbraw/zinc/37/38/16/529373816.db2.gz BXFSYTQQWXTCAS-ROUUACIJSA-N 1 0 291.435 2.871 10 70 CFIERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000159940141 540665119 /nfs/dbraw/zinc/66/51/19/540665119.db2.gz XKMPANVSVLVLAW-QEJZJMRPSA-N 1 0 260.381 2.547 10 70 CFIERO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159372173 283928042 /nfs/dbraw/zinc/92/80/42/283928042.db2.gz PLWFRQPWVJASJL-IAGOWNOFSA-N 1 0 290.451 2.946 10 70 CFIERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccs1 ZINC000160268829 378760983 /nfs/dbraw/zinc/76/09/83/378760983.db2.gz XUEMWLHZVDLJQI-FRRDWIJNSA-N 1 0 278.421 2.547 10 70 CFIERO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@](C)(O)CC ZINC000160462924 378774342 /nfs/dbraw/zinc/77/43/42/378774342.db2.gz KGTSYYHKFLSFDH-KRWDZBQOSA-N 1 0 292.423 2.807 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000160678420 378791691 /nfs/dbraw/zinc/79/16/91/378791691.db2.gz SPOGDWCZMZHKPK-QGZVFWFLSA-N 1 0 277.408 2.938 10 70 CFIERO CCC[C@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)[NH+](C)C ZINC000161248789 378833631 /nfs/dbraw/zinc/83/36/31/378833631.db2.gz MBLJTKYIBZNVBE-QMTHXVAHSA-N 1 0 284.350 2.872 10 70 CFIERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1OC(C)(C)C ZINC000160945535 378811670 /nfs/dbraw/zinc/81/16/70/378811670.db2.gz BFLIBKJHYOFIFB-NSHDSACASA-N 1 0 264.369 2.930 10 70 CFIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161339351 378841523 /nfs/dbraw/zinc/84/15/23/378841523.db2.gz VAOIMIXDNOUDJJ-JQFCIGGWSA-N 1 0 290.451 2.803 10 70 CFIERO CC(C)[N@H+](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159999613 394365925 /nfs/dbraw/zinc/36/59/25/394365925.db2.gz SYWLWKIIQJYHAF-CQSZACIVSA-N 1 0 290.407 2.745 10 70 CFIERO C[C@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)c2ccsc2S1 ZINC000217001359 280011223 /nfs/dbraw/zinc/01/12/23/280011223.db2.gz HNOKDQHVVDLIJJ-GVXVVHGQSA-N 1 0 298.477 2.594 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC000160436514 322337992 /nfs/dbraw/zinc/33/79/92/322337992.db2.gz HNFPZTILGALOHG-HZPDHXFCSA-N 1 0 296.455 2.572 10 70 CFIERO CCC[C@@H](C(=O)NCCCC1CCCC1)[NH+](C)C ZINC000161457733 322351891 /nfs/dbraw/zinc/35/18/91/322351891.db2.gz IKHIFGNJVYDSDU-AWEZNQCLSA-N 1 0 254.418 2.803 10 70 CFIERO CCN1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218128040 521648722 /nfs/dbraw/zinc/64/87/22/521648722.db2.gz KNIMOQBQIASDNQ-HNNXBMFYSA-N 1 0 257.381 2.742 10 70 CFIERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000159603748 522531050 /nfs/dbraw/zinc/53/10/50/522531050.db2.gz HIPBWMXZMZEUSL-UONOGXRCSA-N 1 0 284.407 2.815 10 70 CFIERO COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000160519081 524025738 /nfs/dbraw/zinc/02/57/38/524025738.db2.gz WCSWKDUXPJZCJJ-UHFFFAOYSA-N 1 0 285.391 2.808 10 70 CFIERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)c1 ZINC000160115609 526266089 /nfs/dbraw/zinc/26/60/89/526266089.db2.gz WVPWVKHLAOUNLV-OAHLLOKOSA-N 1 0 295.390 2.676 10 70 CFIERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000161045763 526920499 /nfs/dbraw/zinc/92/04/99/526920499.db2.gz DGXMLKAIWYLISL-AWEZNQCLSA-N 1 0 289.354 2.972 10 70 CFIERO CC[C@](C)(O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000161109811 529373145 /nfs/dbraw/zinc/37/31/45/529373145.db2.gz DUKWRJCIXXKJQY-AWEZNQCLSA-N 1 0 255.789 2.975 10 70 CFIERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000160004333 540666994 /nfs/dbraw/zinc/66/69/94/540666994.db2.gz BYCJVKANKRPUGR-VHRBIJSZSA-N 1 0 280.799 2.892 10 70 CFIERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209125 540691337 /nfs/dbraw/zinc/69/13/37/540691337.db2.gz STJNBCPEQSDELR-ZYHUDNBSSA-N 1 0 292.379 2.898 10 70 CFIERO COc1c(C[NH2+]Cc2cc(C)cc(C)c2)c(C)nn1C ZINC000160187493 541408194 /nfs/dbraw/zinc/40/81/94/541408194.db2.gz XOWCHZADHIHPHD-UHFFFAOYSA-N 1 0 273.380 2.644 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000160424699 378772208 /nfs/dbraw/zinc/77/22/08/378772208.db2.gz UFIHYLQXGJFLDH-KBPBESRZSA-N 1 0 266.429 2.837 10 70 CFIERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1OC(C)(C)C ZINC000160945661 378812135 /nfs/dbraw/zinc/81/21/35/378812135.db2.gz BFLIBKJHYOFIFB-LLVKDONJSA-N 1 0 264.369 2.930 10 70 CFIERO Cc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000217698927 382787422 /nfs/dbraw/zinc/78/74/22/382787422.db2.gz UJBHYFDRGIJGRW-HOTGVXAUSA-N 1 0 274.408 2.725 10 70 CFIERO C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000218011395 298646169 /nfs/dbraw/zinc/64/61/69/298646169.db2.gz KJWMZGVXXAOIEO-RBSFLKMASA-N 1 0 268.445 2.512 10 70 CFIERO Cc1ccc(C[C@H](C)N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000159636724 301593594 /nfs/dbraw/zinc/59/35/94/301593594.db2.gz CGEHFLPRFMALBK-XIRDDKMYSA-N 1 0 288.435 2.902 10 70 CFIERO CCC[C@H]([NH2+]CCn1cc(C)cn1)c1ccccn1 ZINC000159393386 322322257 /nfs/dbraw/zinc/32/22/57/322322257.db2.gz LIWQQHOVQKDMNA-AWEZNQCLSA-N 1 0 258.369 2.718 10 70 CFIERO CCC[C@H](C(=O)NCCCC1CCCC1)[NH+](C)C ZINC000161457845 322352052 /nfs/dbraw/zinc/35/20/52/322352052.db2.gz IKHIFGNJVYDSDU-CQSZACIVSA-N 1 0 254.418 2.803 10 70 CFIERO CC(C)C[C@H](C[NH3+])Nc1ccncc1Br ZINC000159903159 519347496 /nfs/dbraw/zinc/34/74/96/519347496.db2.gz MHKMZEWLABBIHV-SECBINFHSA-N 1 0 272.190 2.629 10 70 CFIERO COC(=O)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160533400 522005008 /nfs/dbraw/zinc/00/50/08/522005008.db2.gz XWXCPXKVUIINRA-UHFFFAOYSA-N 1 0 299.374 2.576 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000160770029 523491796 /nfs/dbraw/zinc/49/17/96/523491796.db2.gz LBSFYCHQPJHRJV-HNNXBMFYSA-N 1 0 255.402 2.571 10 70 CFIERO Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000159636469 524675049 /nfs/dbraw/zinc/67/50/49/524675049.db2.gz CGEHFLPRFMALBK-UAGQMJEPSA-N 1 0 288.435 2.902 10 70 CFIERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000161047480 526923646 /nfs/dbraw/zinc/92/36/46/526923646.db2.gz CRGXOYVLYDBKTL-CQSZACIVSA-N 1 0 289.354 2.972 10 70 CFIERO CC[C@@](C)(O)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000160819868 529507986 /nfs/dbraw/zinc/50/79/86/529507986.db2.gz APVNYOIMLUZVLP-MRXNPFEDSA-N 1 0 265.397 2.905 10 70 CFIERO CCCn1nccc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000159981176 540666184 /nfs/dbraw/zinc/66/61/84/540666184.db2.gz MVUCGFXQHZQOMK-QGZVFWFLSA-N 1 0 286.423 2.686 10 70 CFIERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161199367 540690823 /nfs/dbraw/zinc/69/08/23/540690823.db2.gz JYDCUVRHROGXAT-LBPRGKRZSA-N 1 0 292.379 2.994 10 70 CFIERO CCC[C@H]([NH3+])C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108219 378749004 /nfs/dbraw/zinc/74/90/04/378749004.db2.gz XEJGPRJMIZIONH-HNNXBMFYSA-N 1 0 292.423 2.607 10 70 CFIERO CC(C)C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160609738 378786327 /nfs/dbraw/zinc/78/63/27/378786327.db2.gz KRMWOINXIKMVDP-CYBMUJFWSA-N 1 0 262.401 2.797 10 70 CFIERO CCc1ccc([C@H]2CCCC[N@@H+]2CC(OC)OC)o1 ZINC000161236239 378832831 /nfs/dbraw/zinc/83/28/31/378832831.db2.gz PDWKTTRUXKJJNX-CYBMUJFWSA-N 1 0 267.369 2.988 10 70 CFIERO CCC[C@H](C(=O)NCc1ccccc1COCC)[NH+](C)C ZINC000161498558 378850968 /nfs/dbraw/zinc/85/09/68/378850968.db2.gz MDKXRAFZZHAEDT-MRXNPFEDSA-N 1 0 292.423 2.570 10 70 CFIERO CCC[C@@H](C(=O)N1CCC[C@@H](CC)CC1)[NH+](C)C ZINC000160791645 322343132 /nfs/dbraw/zinc/34/31/32/322343132.db2.gz OOZWKOFUQSRLPN-KGLIPLIRSA-N 1 0 254.418 2.755 10 70 CFIERO CCC[C@H](C(=O)N[C@H](C)c1ccc(OC)c(F)c1)[NH+](C)C ZINC000161284641 322349888 /nfs/dbraw/zinc/34/98/88/322349888.db2.gz SEYGJIZNGAVRJI-BXUZGUMPSA-N 1 0 296.386 2.742 10 70 CFIERO CCC[C@@H](C(=O)NCc1ccc(C)cc1C)[NH+](C)C ZINC000161478500 322352317 /nfs/dbraw/zinc/35/23/17/322352317.db2.gz POHRHDMLJRCIEO-HNNXBMFYSA-N 1 0 262.397 2.650 10 70 CFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000161412066 523604206 /nfs/dbraw/zinc/60/42/06/523604206.db2.gz VRLCXIPDAAROMQ-HNNXBMFYSA-N 1 0 294.443 2.540 10 70 CFIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000161338333 523607047 /nfs/dbraw/zinc/60/70/47/523607047.db2.gz XTKXLDHIFHXACU-HNNXBMFYSA-N 1 0 270.380 2.678 10 70 CFIERO CC[C@@](C)(O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000161109935 529508332 /nfs/dbraw/zinc/50/83/32/529508332.db2.gz DUKWRJCIXXKJQY-CQSZACIVSA-N 1 0 255.789 2.975 10 70 CFIERO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000159718901 378726548 /nfs/dbraw/zinc/72/65/48/378726548.db2.gz PUCNRLWROLIVHK-INIZCTEOSA-N 1 0 297.402 2.791 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160424443 378772182 /nfs/dbraw/zinc/77/21/82/378772182.db2.gz UFIHYLQXGJFLDH-KGLIPLIRSA-N 1 0 266.429 2.837 10 70 CFIERO Cc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C)c1 ZINC000160238694 322335010 /nfs/dbraw/zinc/33/50/10/322335010.db2.gz URBDGDRRLLYHCD-UONOGXRCSA-N 1 0 262.397 2.806 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCCC1 ZINC000160541443 322339441 /nfs/dbraw/zinc/33/94/41/322339441.db2.gz WJDRCKXELMRABE-OAHLLOKOSA-N 1 0 266.429 2.803 10 70 CFIERO CCCC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000160720120 322341648 /nfs/dbraw/zinc/34/16/48/322341648.db2.gz NAJZFSVWAFASES-INIZCTEOSA-N 1 0 288.435 2.856 10 70 CFIERO CCC[C@H](C(=O)N1CCC[C@@H](CC)CC1)[NH+](C)C ZINC000160791785 322343060 /nfs/dbraw/zinc/34/30/60/322343060.db2.gz OOZWKOFUQSRLPN-ZIAGYGMSSA-N 1 0 254.418 2.755 10 70 CFIERO CCC[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+](C)C ZINC000161445019 322351847 /nfs/dbraw/zinc/35/18/47/322351847.db2.gz MFUYOZLNRCWIPN-INIZCTEOSA-N 1 0 287.407 2.557 10 70 CFIERO COc1c(C[NH2+]CCCC2CCCC2)c(C)nn1C ZINC000218213374 521833904 /nfs/dbraw/zinc/83/39/04/521833904.db2.gz HDIGPMDCTLUQOQ-UHFFFAOYSA-N 1 0 265.401 2.797 10 70 CFIERO CCn1cc(C2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000160469489 523357855 /nfs/dbraw/zinc/35/78/55/523357855.db2.gz BGDAETSHXGUFSQ-UHFFFAOYSA-N 1 0 270.380 2.678 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161130842 523495624 /nfs/dbraw/zinc/49/56/24/523495624.db2.gz WKEGEAVTQGUWMA-INIZCTEOSA-N 1 0 281.371 2.830 10 70 CFIERO CCn1cnnc1[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC000161274093 523604611 /nfs/dbraw/zinc/60/46/11/523604611.db2.gz STYXZTRXBAUVGT-ZDUSSCGKSA-N 1 0 250.390 2.524 10 70 CFIERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159630801 525131509 /nfs/dbraw/zinc/13/15/09/525131509.db2.gz YNRQCVQSBDAMBF-MWLCHTKSSA-N 1 0 284.762 2.798 10 70 CFIERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000159983956 348015315 /nfs/dbraw/zinc/01/53/15/348015315.db2.gz DYZDMQHUXSETJR-IUODEOHRSA-N 1 0 282.815 2.711 10 70 CFIERO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000160054946 348016201 /nfs/dbraw/zinc/01/62/01/348016201.db2.gz COLVPYLDJXKALS-HZPDHXFCSA-N 1 0 278.440 2.755 10 70 CFIERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217662990 539662124 /nfs/dbraw/zinc/66/21/24/539662124.db2.gz ODFOGPPGICXATK-BPLDGKMQSA-N 1 0 291.391 2.630 10 70 CFIERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209246 540691181 /nfs/dbraw/zinc/69/11/81/540691181.db2.gz STJNBCPEQSDELR-PWSUYJOCSA-N 1 0 292.379 2.898 10 70 CFIERO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000159371785 378705726 /nfs/dbraw/zinc/70/57/26/378705726.db2.gz PLWFRQPWVJASJL-IRXDYDNUSA-N 1 0 290.451 2.946 10 70 CFIERO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000159719106 378726161 /nfs/dbraw/zinc/72/61/61/378726161.db2.gz PUCNRLWROLIVHK-MRXNPFEDSA-N 1 0 297.402 2.791 10 70 CFIERO C[C@@H](CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000160729903 378795333 /nfs/dbraw/zinc/79/53/33/378795333.db2.gz JSXKVPDLOFPKIC-AVGNSLFASA-N 1 0 280.437 2.951 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)nc1 ZINC000160514349 394366578 /nfs/dbraw/zinc/36/65/78/394366578.db2.gz IIANAQKWEXDZMO-CYBMUJFWSA-N 1 0 295.814 2.585 10 70 CFIERO CCC[C@H](C(=O)Nc1nc2c(s1)CCCC2)[NH+](C)C ZINC000159690204 276039363 /nfs/dbraw/zinc/03/93/63/276039363.db2.gz VHGSGGARTPPPIR-LLVKDONJSA-N 1 0 281.425 2.691 10 70 CFIERO CC[NH+](CC)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159989866 276095205 /nfs/dbraw/zinc/09/52/05/276095205.db2.gz FWNDLKZSKKXROB-AWEZNQCLSA-N 1 0 290.407 2.747 10 70 CFIERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000217894964 280932321 /nfs/dbraw/zinc/93/23/21/280932321.db2.gz QCOFKEMCZAUSAY-YUELXQCFSA-N 1 0 287.469 2.614 10 70 CFIERO CCC(CC)(C[NH3+])NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160198932 282073480 /nfs/dbraw/zinc/07/34/80/282073480.db2.gz UBDSGTSIYCRFGV-UHFFFAOYSA-N 1 0 278.440 2.692 10 70 CFIERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160203581 303397055 /nfs/dbraw/zinc/39/70/55/303397055.db2.gz CBUAHGGKMBNGSO-MDYUNMRDSA-N 1 0 290.451 2.692 10 70 CFIERO Cc1ccccc1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160434137 322338072 /nfs/dbraw/zinc/33/80/72/322338072.db2.gz PLSLMAYLYXJBKN-QGZVFWFLSA-N 1 0 288.435 2.774 10 70 CFIERO Cc1cccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160559255 322339489 /nfs/dbraw/zinc/33/94/89/322339489.db2.gz HEGOIMQIOSGMGH-QGZVFWFLSA-N 1 0 288.435 2.774 10 70 CFIERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(SC)c2)C1 ZINC000160989178 322346063 /nfs/dbraw/zinc/34/60/63/322346063.db2.gz LTDRACMYGRJGMB-LBPRGKRZSA-N 1 0 296.411 2.762 10 70 CFIERO CCC[C@H](C(=O)NCCCOC1CCCCC1)[NH+](C)C ZINC000161293395 322349898 /nfs/dbraw/zinc/34/98/98/322349898.db2.gz SSPLPBPYNQMJEU-OAHLLOKOSA-N 1 0 284.444 2.572 10 70 CFIERO CCC[N@@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159444791 519852026 /nfs/dbraw/zinc/85/20/26/519852026.db2.gz RUMFYBXHWJJDKX-UHFFFAOYSA-N 1 0 282.457 2.758 10 70 CFIERO CN(CC[N@H+](C)C[C@@H]1CCCOC1)Cc1ccc(F)cc1 ZINC000159556461 522810805 /nfs/dbraw/zinc/81/08/05/522810805.db2.gz DGANHNOCDHGHMF-INIZCTEOSA-N 1 0 294.414 2.616 10 70 CFIERO CN(CC[N@H+](C)CC1CCOCC1)Cc1ccc(F)cc1 ZINC000161352653 522813574 /nfs/dbraw/zinc/81/35/74/522813574.db2.gz LHRKVNKSDVUZIN-UHFFFAOYSA-N 1 0 294.414 2.616 10 70 CFIERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1csc(C)n1 ZINC000218134865 523476917 /nfs/dbraw/zinc/47/69/17/523476917.db2.gz PQHUZIXYAYBCBH-HZPDHXFCSA-N 1 0 293.480 2.943 10 70 CFIERO Cc1cccc(NC[C@@H]2CC[N@H+](CCOCC3CC3)C2)n1 ZINC000160088232 524680282 /nfs/dbraw/zinc/68/02/82/524680282.db2.gz XQTNUUJBUAKCGK-INIZCTEOSA-N 1 0 289.423 2.550 10 70 CFIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161339688 526538426 /nfs/dbraw/zinc/53/84/26/526538426.db2.gz VAOIMIXDNOUDJJ-IAOVAPTHSA-N 1 0 290.451 2.803 10 70 CFIERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000217627090 539660483 /nfs/dbraw/zinc/66/04/83/539660483.db2.gz MGTBHSRKUKQFRW-KNXALSJPSA-N 1 0 276.380 2.599 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1Cl ZINC000160487691 378775524 /nfs/dbraw/zinc/77/55/24/378775524.db2.gz YQJJWFVDXKKYSO-GFCCVEGCSA-N 1 0 295.814 2.585 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000161279832 378836075 /nfs/dbraw/zinc/83/60/75/378836075.db2.gz YSDAHCUTJOLCMS-IRXDYDNUSA-N 1 0 277.408 2.686 10 70 CFIERO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160440958 292091976 /nfs/dbraw/zinc/09/19/76/292091976.db2.gz VPMBXCSPILIILU-CQSZACIVSA-N 1 0 294.464 2.836 10 70 CFIERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160203711 303400977 /nfs/dbraw/zinc/40/09/77/303400977.db2.gz CBUAHGGKMBNGSO-ZNMWDQDHSA-N 1 0 290.451 2.692 10 70 CFIERO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160429822 322337917 /nfs/dbraw/zinc/33/79/17/322337917.db2.gz CJDKSKUTYSGTGR-UONOGXRCSA-N 1 0 254.418 2.659 10 70 CFIERO CCC[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C ZINC000161215638 322348756 /nfs/dbraw/zinc/34/87/56/322348756.db2.gz OISGWUJISHLIPZ-AWEZNQCLSA-N 1 0 266.360 2.514 10 70 CFIERO CCC[C@@H](C(=O)NCCCOC1CCCCC1)[NH+](C)C ZINC000161293279 322350015 /nfs/dbraw/zinc/35/00/15/322350015.db2.gz SSPLPBPYNQMJEU-HNNXBMFYSA-N 1 0 284.444 2.572 10 70 CFIERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000159608859 524337915 /nfs/dbraw/zinc/33/79/15/524337915.db2.gz QFQJNLJLFQQJIC-BBRMVZONSA-N 1 0 288.391 2.788 10 70 CFIERO CC[N@H+](Cc1c(F)cccc1F)C[C@](C)(O)CC ZINC000160815046 528760321 /nfs/dbraw/zinc/76/03/21/528760321.db2.gz YULYVHXGGBNIOK-CQSZACIVSA-N 1 0 257.324 2.948 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1OC ZINC000217676309 539661765 /nfs/dbraw/zinc/66/17/65/539661765.db2.gz FRZHPRQJCRLZNL-IACUBPJLSA-N 1 0 279.380 2.658 10 70 CFIERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000218304046 539690717 /nfs/dbraw/zinc/69/07/17/539690717.db2.gz PVKNKGOBITWONT-BFHYXJOUSA-N 1 0 263.381 2.958 10 70 CFIERO CCC[C@@H](C(=O)Nc1cc(C)cc(F)c1)[NH+](C)C ZINC000160659640 188485400 /nfs/dbraw/zinc/48/54/00/188485400.db2.gz VXSPJDYAHSMNHV-ZDUSSCGKSA-N 1 0 252.333 2.803 10 70 CFIERO CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159551015 378715271 /nfs/dbraw/zinc/71/52/71/378715271.db2.gz NKBSRYRMJCCAFA-KGLIPLIRSA-N 1 0 290.407 2.745 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000160637701 378787942 /nfs/dbraw/zinc/78/79/42/378787942.db2.gz RIIKLSISVYVXRV-GJZGRUSLSA-N 1 0 283.799 2.874 10 70 CFIERO CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161195797 378828910 /nfs/dbraw/zinc/82/89/10/378828910.db2.gz GYEQPUYMNRHACD-NWDGAFQWSA-N 1 0 259.271 2.833 10 70 CFIERO CCC[C@@H](C(=O)NCCSc1ccccc1)[NH+](C)C ZINC000161274858 378836270 /nfs/dbraw/zinc/83/62/70/378836270.db2.gz GBUILSMDGXJDPQ-AWEZNQCLSA-N 1 0 280.437 2.625 10 70 CFIERO CCC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC000161246847 378832551 /nfs/dbraw/zinc/83/25/51/378832551.db2.gz REWOOSNNCGLANI-QMTHXVAHSA-N 1 0 284.350 2.872 10 70 CFIERO CC(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000160874437 378805417 /nfs/dbraw/zinc/80/54/17/378805417.db2.gz NSYJCYBAHYCXEP-KKUMJFAQSA-N 1 0 266.429 2.931 10 70 CFIERO C[C@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)c2ccsc2S1 ZINC000217001366 393756015 /nfs/dbraw/zinc/75/60/15/393756015.db2.gz HNOKDQHVVDLIJJ-GMXVVIOVSA-N 1 0 298.477 2.594 10 70 CFIERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160252047 322335350 /nfs/dbraw/zinc/33/53/50/322335350.db2.gz KZBVDOGMHAMTFU-KBPBESRZSA-N 1 0 262.397 2.950 10 70 CFIERO CCC[C@H](C(=O)NCCc1ccc(Cl)cc1)[NH+](C)C ZINC000161183633 322348739 /nfs/dbraw/zinc/34/87/39/322348739.db2.gz BEOFHMVIZBILIE-CQSZACIVSA-N 1 0 282.815 2.729 10 70 CFIERO CCC[C@H](C(=O)NCCc1cccc(Cl)c1)[NH+](C)C ZINC000161258613 322349244 /nfs/dbraw/zinc/34/92/44/322349244.db2.gz VVWXYXZVPUELPY-CQSZACIVSA-N 1 0 282.815 2.729 10 70 CFIERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(OC)c(F)c1)[NH+](C)C ZINC000161284392 322349926 /nfs/dbraw/zinc/34/99/26/322349926.db2.gz SEYGJIZNGAVRJI-SMDDNHRTSA-N 1 0 296.386 2.742 10 70 CFIERO CCC[C@@H](C(=O)NCC(C)(C)c1ccccc1)[NH+](C)C ZINC000161509975 322352958 /nfs/dbraw/zinc/35/29/58/322352958.db2.gz LLFMKTZRAKYVPA-HNNXBMFYSA-N 1 0 276.424 2.811 10 70 CFIERO CCOC(=O)C[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000161483601 348024748 /nfs/dbraw/zinc/02/47/48/348024748.db2.gz VWOFFYBXXUFJKE-SNVBAGLBSA-N 1 0 290.132 2.541 10 70 CFIERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000217662622 539662022 /nfs/dbraw/zinc/66/20/22/539662022.db2.gz BXIRGJYVOJQMOA-YNEHKIRRSA-N 1 0 279.380 2.658 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000160399716 188470197 /nfs/dbraw/zinc/47/01/97/188470197.db2.gz MJFHQKNAROIABV-MRXNPFEDSA-N 1 0 292.398 2.605 10 70 CFIERO CCC[C@H](C(=O)N(CC)Cc1cccs1)[NH+](C)C ZINC000161445103 188528763 /nfs/dbraw/zinc/52/87/63/188528763.db2.gz SLBOZXAUDVNRNC-CYBMUJFWSA-N 1 0 268.426 2.827 10 70 CFIERO CCCn1nccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000160053266 540667887 /nfs/dbraw/zinc/66/78/87/540667887.db2.gz LPBAYPLWUKUTPB-HNNXBMFYSA-N 1 0 271.364 2.907 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160424572 378771566 /nfs/dbraw/zinc/77/15/66/378771566.db2.gz UFIHYLQXGJFLDH-UONOGXRCSA-N 1 0 266.429 2.837 10 70 CFIERO COC(C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1)OC ZINC000161235389 378832088 /nfs/dbraw/zinc/83/20/88/378832088.db2.gz JYFROGGLBDTDAD-GFCCVEGCSA-N 1 0 253.342 2.734 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160518841 394366443 /nfs/dbraw/zinc/36/64/43/394366443.db2.gz IMJBTALFVZSLEJ-RYUDHWBXSA-N 1 0 296.361 2.702 10 70 CFIERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000218576368 280932995 /nfs/dbraw/zinc/93/29/95/280932995.db2.gz RPZRYEYXGPNLFC-SNPRPXQTSA-N 1 0 266.429 2.563 10 70 CFIERO CCC[C@@H](C(=O)NCC1(c2ccccc2)CCC1)[NH+](C)C ZINC000161369736 322350868 /nfs/dbraw/zinc/35/08/68/322350868.db2.gz YPISMYIVNCRNJC-INIZCTEOSA-N 1 0 288.435 2.955 10 70 CFIERO CCC[C@H](C(=O)NC[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000161454719 322352016 /nfs/dbraw/zinc/35/20/16/322352016.db2.gz ANECPSXBYAACAK-NVXWUHKLSA-N 1 0 288.435 2.953 10 70 CFIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000217641408 539659637 /nfs/dbraw/zinc/65/96/37/539659637.db2.gz MGNZECMXHLWACQ-NWANDNLSSA-N 1 0 291.391 2.802 10 70 CFIERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217650384 539659874 /nfs/dbraw/zinc/65/98/74/539659874.db2.gz RJBVYSFLHOHYFG-CPUCHLNUSA-N 1 0 275.392 2.966 10 70 CFIERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000217648604 539659935 /nfs/dbraw/zinc/65/99/35/539659935.db2.gz BDPGIJZGQXEEKZ-RCCFBDPRSA-N 1 0 288.435 2.544 10 70 CFIERO CCN1CCO[C@@H](C[NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000160792792 541479826 /nfs/dbraw/zinc/47/98/26/541479826.db2.gz QBMQATHWYOKHFH-AWEZNQCLSA-N 1 0 288.391 2.552 10 70 CFIERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccs1 ZINC000160268956 378761103 /nfs/dbraw/zinc/76/11/03/378761103.db2.gz XUEMWLHZVDLJQI-RWMBFGLXSA-N 1 0 278.421 2.547 10 70 CFIERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000161240055 378833070 /nfs/dbraw/zinc/83/30/70/378833070.db2.gz LJBDLXPJNDSCEF-ZNMIVQPWSA-N 1 0 292.810 2.654 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000161145679 378826666 /nfs/dbraw/zinc/82/66/66/378826666.db2.gz RVQKFJSMKNAAPC-QGZVFWFLSA-N 1 0 277.408 2.999 10 70 CFIERO CC(C)[N@H+]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000160222559 322334718 /nfs/dbraw/zinc/33/47/18/322334718.db2.gz ZRYFZEDXPTWKIG-ZFWWWQNUSA-N 1 0 293.455 2.595 10 70 CFIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC(C)(C)CC1 ZINC000160386459 322337308 /nfs/dbraw/zinc/33/73/08/322337308.db2.gz MKWPZCBTNZVOKZ-UKRRQHHQSA-N 1 0 278.440 2.898 10 70 CFIERO CCC[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)C ZINC000161266466 322349985 /nfs/dbraw/zinc/34/99/85/322349985.db2.gz MFMLQHMSALZULP-CQSZACIVSA-N 1 0 252.402 2.723 10 70 CFIERO CCC[C@H](C(=O)N(C)CCOc1ccc(C)cc1)[NH+](C)C ZINC000161332694 322350472 /nfs/dbraw/zinc/35/04/72/322350472.db2.gz ZMXHIHVVDZQGBV-MRXNPFEDSA-N 1 0 292.423 2.563 10 70 CFIERO CCCC[C@H](C[NH3+])Nc1ccncc1Br ZINC000159919374 521193011 /nfs/dbraw/zinc/19/30/11/521193011.db2.gz TYGIDAJOYQMMOQ-SECBINFHSA-N 1 0 272.190 2.774 10 70 CFIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000161339044 523600739 /nfs/dbraw/zinc/60/07/39/523600739.db2.gz WJTXNNMZABGWDC-CQSZACIVSA-N 1 0 288.370 2.817 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161130964 523663653 /nfs/dbraw/zinc/66/36/53/523663653.db2.gz WKEGEAVTQGUWMA-MRXNPFEDSA-N 1 0 281.371 2.830 10 70 CFIERO C[C@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159917279 524121595 /nfs/dbraw/zinc/12/15/95/524121595.db2.gz JATKATKYWRBAPD-ZDUSSCGKSA-N 1 0 250.361 2.742 10 70 CFIERO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159372042 527525770 /nfs/dbraw/zinc/52/57/70/527525770.db2.gz PLWFRQPWVJASJL-DLBZAZTESA-N 1 0 290.451 2.946 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000161174502 529374309 /nfs/dbraw/zinc/37/43/09/529374309.db2.gz VSVAFZNRDBZCPI-ZBFHGGJFSA-N 1 0 265.372 2.851 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000218300720 539690347 /nfs/dbraw/zinc/69/03/47/539690347.db2.gz MYUJRCIRJNCCIV-SDDRHHMPSA-N 1 0 267.344 2.788 10 70 CFIERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000160004471 540667065 /nfs/dbraw/zinc/66/70/65/540667065.db2.gz BYCJVKANKRPUGR-JKOKRWQUSA-N 1 0 280.799 2.892 10 70 CFIERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000161279956 378836286 /nfs/dbraw/zinc/83/62/86/378836286.db2.gz YSDAHCUTJOLCMS-DLBZAZTESA-N 1 0 277.408 2.686 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC000161246480 378833051 /nfs/dbraw/zinc/83/30/51/378833051.db2.gz REWOOSNNCGLANI-HZMBPMFUSA-N 1 0 284.350 2.872 10 70 CFIERO CCC[C@@H](C(=O)Nc1ccc(C)c(F)c1)[NH+](C)C ZINC000161181151 322348711 /nfs/dbraw/zinc/34/87/11/322348711.db2.gz AXRGRWFMYNZSTQ-ZDUSSCGKSA-N 1 0 252.333 2.803 10 70 CFIERO CCOC(=O)CCCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160511447 276276041 /nfs/dbraw/zinc/27/60/41/276276041.db2.gz RJLCMKCGKYPXLG-NVXWUHKLSA-N 1 0 297.439 2.737 10 70 CFIERO CCC[C@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000160366138 322336793 /nfs/dbraw/zinc/33/67/93/322336793.db2.gz XLSBUBWQZJASDL-JKSUJKDBSA-N 1 0 274.408 2.911 10 70 CFIERO CC(C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160418876 322338058 /nfs/dbraw/zinc/33/80/58/322338058.db2.gz WNQOZUMKVACZFC-CQSZACIVSA-N 1 0 254.418 2.659 10 70 CFIERO CCC[C@H](C(=O)NCC(C)(C)c1ccccc1)[NH+](C)C ZINC000161510048 322352990 /nfs/dbraw/zinc/35/29/90/322352990.db2.gz LLFMKTZRAKYVPA-OAHLLOKOSA-N 1 0 276.424 2.811 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000161024389 523493577 /nfs/dbraw/zinc/49/35/77/523493577.db2.gz TVALLXDTQYXOGS-IRXDYDNUSA-N 1 0 295.398 2.732 10 70 CFIERO CCn1cnnc1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000161414239 523604976 /nfs/dbraw/zinc/60/49/76/523604976.db2.gz FOJGINOTTMJYJF-AWEZNQCLSA-N 1 0 262.401 2.668 10 70 CFIERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)n1 ZINC000159801225 524896609 /nfs/dbraw/zinc/89/66/09/524896609.db2.gz CFOYUYFMOJDACN-GOEBONIOSA-N 1 0 292.423 2.703 10 70 CFIERO Cc1cnn([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000160983165 526267570 /nfs/dbraw/zinc/26/75/70/526267570.db2.gz IUPBNHLCPFOOJG-KRWDZBQOSA-N 1 0 290.455 2.704 10 70 CFIERO CC[C@](C)(O)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000160819728 529373015 /nfs/dbraw/zinc/37/30/15/529373015.db2.gz APVNYOIMLUZVLP-INIZCTEOSA-N 1 0 265.397 2.905 10 70 CFIERO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160055199 348016115 /nfs/dbraw/zinc/01/61/15/348016115.db2.gz COLVPYLDJXKALS-JKSUJKDBSA-N 1 0 278.440 2.755 10 70 CFIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1nc2ccccc2n1C ZINC000217642152 539660354 /nfs/dbraw/zinc/66/03/54/539660354.db2.gz PEVPSLDGRIXOMR-YNEHKIRRSA-N 1 0 273.380 2.527 10 70 CFIERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217672022 539661828 /nfs/dbraw/zinc/66/18/28/539661828.db2.gz OPQJKPILZVRFGR-XNRPHZJLSA-N 1 0 263.381 2.606 10 70 CFIERO O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160536536 378778492 /nfs/dbraw/zinc/77/84/92/378778492.db2.gz IBGZMIRVBUKXIT-CXAGYDPISA-N 1 0 291.366 2.635 10 70 CFIERO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000160696236 378790958 /nfs/dbraw/zinc/79/09/58/378790958.db2.gz CQGXJVTUFLCOMR-QGZVFWFLSA-N 1 0 292.423 2.643 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000161145556 378826692 /nfs/dbraw/zinc/82/66/92/378826692.db2.gz RVQKFJSMKNAAPC-KRWDZBQOSA-N 1 0 277.408 2.999 10 70 CFIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000161342160 378841109 /nfs/dbraw/zinc/84/11/09/378841109.db2.gz QXARSRFMPXZCRS-DOMZBBRYSA-N 1 0 285.391 2.626 10 70 CFIERO COc1ccccc1C[C@H]([NH2+]CC(C)(C)O)C(C)C ZINC000160652945 322341302 /nfs/dbraw/zinc/34/13/02/322341302.db2.gz CXFVITGITVSFLW-AWEZNQCLSA-N 1 0 265.397 2.623 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160518614 394366387 /nfs/dbraw/zinc/36/63/87/394366387.db2.gz IMJBTALFVZSLEJ-NEPJUHHUSA-N 1 0 296.361 2.702 10 70 CFIERO CC[C@](C)(O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000161497159 281292146 /nfs/dbraw/zinc/29/21/46/281292146.db2.gz WILBAKTUXLRKDM-ABHNRTSZSA-N 1 0 296.499 2.980 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000160365823 322336897 /nfs/dbraw/zinc/33/68/97/322336897.db2.gz XLSBUBWQZJASDL-CVEARBPZSA-N 1 0 274.408 2.911 10 70 CFIERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1cccc(F)c1)CC2 ZINC000160772086 322343117 /nfs/dbraw/zinc/34/31/17/322343117.db2.gz SVHSZFVJBZVBOX-PBHICJAKSA-N 1 0 293.382 2.832 10 70 CFIERO COc1c(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c(C)nn1C ZINC000218238006 521834622 /nfs/dbraw/zinc/83/46/22/521834622.db2.gz TWZKONKHZPJMSC-DGCLKSJQSA-N 1 0 265.401 2.653 10 70 CFIERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000161174623 529509807 /nfs/dbraw/zinc/50/98/07/529509807.db2.gz VSVAFZNRDBZCPI-GDBMZVCRSA-N 1 0 265.372 2.851 10 70 CFIERO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000160136473 529690027 /nfs/dbraw/zinc/69/00/27/529690027.db2.gz SOXNAILJGNXKSW-STQMWFEESA-N 1 0 280.460 2.901 10 70 CFIERO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000160055066 348016038 /nfs/dbraw/zinc/01/60/38/348016038.db2.gz COLVPYLDJXKALS-CVEARBPZSA-N 1 0 278.440 2.755 10 70 CFIERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217650549 539660268 /nfs/dbraw/zinc/66/02/68/539660268.db2.gz RJBVYSFLHOHYFG-VBQJREDUSA-N 1 0 275.392 2.966 10 70 CFIERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217672209 539661591 /nfs/dbraw/zinc/66/15/91/539661591.db2.gz OPQJKPILZVRFGR-IVMMDQJWSA-N 1 0 263.381 2.606 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1OC ZINC000217676469 539661757 /nfs/dbraw/zinc/66/17/57/539661757.db2.gz FRZHPRQJCRLZNL-FPMFFAJLSA-N 1 0 279.380 2.658 10 70 CFIERO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000218300964 539690171 /nfs/dbraw/zinc/69/01/71/539690171.db2.gz JQXCIIJUXQHYGK-AEGPPILISA-N 1 0 263.381 2.519 10 70 CFIERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209376 540691070 /nfs/dbraw/zinc/69/10/70/540691070.db2.gz STJNBCPEQSDELR-CMPLNLGQSA-N 1 0 292.379 2.898 10 70 CFIERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1noc3c1CCCC3)CC2 ZINC000161026737 541517265 /nfs/dbraw/zinc/51/72/65/541517265.db2.gz FLLTYMOGYYPKQK-DYVFJYSZSA-N 1 0 290.407 2.680 10 70 CFIERO CCC[C@H](C(=O)N[C@H]1CCCc2sccc21)[NH+](C)C ZINC000159982476 378741874 /nfs/dbraw/zinc/74/18/74/378741874.db2.gz DBKPFCCIOSTALI-QWHCGFSZSA-N 1 0 280.437 2.972 10 70 CFIERO [NH3+][C@@H](CNc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000160364734 378766943 /nfs/dbraw/zinc/76/69/43/378766943.db2.gz IPOSFMUYZMWYSJ-QMMMGPOBSA-N 1 0 288.298 2.669 10 70 CFIERO O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160536671 378779433 /nfs/dbraw/zinc/77/94/33/378779433.db2.gz IBGZMIRVBUKXIT-DYVFJYSZSA-N 1 0 291.366 2.635 10 70 CFIERO C[C@@H](CC(=O)N[C@@H](C)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000160729677 378794853 /nfs/dbraw/zinc/79/48/53/378794853.db2.gz JSXKVPDLOFPKIC-RWMBFGLXSA-N 1 0 280.437 2.951 10 70 CFIERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[NH+](C)C ZINC000161248597 378833790 /nfs/dbraw/zinc/83/37/90/378833790.db2.gz MBLJTKYIBZNVBE-IINYFYTJSA-N 1 0 284.350 2.872 10 70 CFIERO CCC[C@@H](C(=O)Nc1ccc(OCC)cc1)[NH+](C)C ZINC000161146930 378825978 /nfs/dbraw/zinc/82/59/78/378825978.db2.gz KAQPTFZJPCPTHM-AWEZNQCLSA-N 1 0 264.369 2.754 10 70 CFIERO CCC[C@H](C(=O)NCc1nc2ccccc2s1)[NH+](C)C ZINC000161415451 378844090 /nfs/dbraw/zinc/84/40/90/378844090.db2.gz BHNGPWABFJGMDV-GFCCVEGCSA-N 1 0 291.420 2.643 10 70 CFIERO CCC[C@@H](C(=O)NCCc1ccc(Cl)cc1)[NH+](C)C ZINC000161183489 322348707 /nfs/dbraw/zinc/34/87/07/322348707.db2.gz BEOFHMVIZBILIE-AWEZNQCLSA-N 1 0 282.815 2.729 10 70 CFIERO C[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@H]1C[NH3+] ZINC000160201898 287327786 /nfs/dbraw/zinc/32/77/86/287327786.db2.gz XVYFVZSRXPTWML-LUCZXWKPSA-N 1 0 290.451 2.645 10 70 CFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCC(F)(F)CC1 ZINC000160248632 322335291 /nfs/dbraw/zinc/33/52/91/322335291.db2.gz HPFGIUUQXIVKES-CYBMUJFWSA-N 1 0 290.398 2.904 10 70 CFIERO OC1CC(C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000160333140 322336398 /nfs/dbraw/zinc/33/63/98/322336398.db2.gz KDQWTIHZSKNGTM-UHFFFAOYSA-N 1 0 276.767 2.749 10 70 CFIERO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000161133664 322347486 /nfs/dbraw/zinc/34/74/86/322347486.db2.gz QQWYOVVMNDBBHI-DLBZAZTESA-N 1 0 290.451 2.757 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)c(F)c1)[NH+](C)C ZINC000161284286 322349707 /nfs/dbraw/zinc/34/97/07/322349707.db2.gz SEYGJIZNGAVRJI-FZMZJTMJSA-N 1 0 296.386 2.742 10 70 CFIERO CCCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160189074 519875552 /nfs/dbraw/zinc/87/55/52/519875552.db2.gz AFFHBCULKYQJRL-OAHLLOKOSA-N 1 0 266.429 2.947 10 70 CFIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000161339176 523606728 /nfs/dbraw/zinc/60/67/28/523606728.db2.gz WJTXNNMZABGWDC-AWEZNQCLSA-N 1 0 288.370 2.817 10 70 CFIERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160232157 523994330 /nfs/dbraw/zinc/99/43/30/523994330.db2.gz FEVJPQCIOIQCEA-MJBXVCDLSA-N 1 0 262.397 2.949 10 70 CFIERO Fc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000160539325 526384699 /nfs/dbraw/zinc/38/46/99/526384699.db2.gz PTHZPUDFWPHVIZ-UHFFFAOYSA-N 1 0 259.328 2.928 10 70 CFIERO Cn1nccc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000160524625 527599661 /nfs/dbraw/zinc/59/96/61/527599661.db2.gz DVVDECXGYYCPTI-UHFFFAOYSA-N 1 0 255.365 2.800 10 70 CFIERO CCOC(=O)C[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000161483462 348024591 /nfs/dbraw/zinc/02/45/91/348024591.db2.gz VWOFFYBXXUFJKE-JTQLQIEISA-N 1 0 290.132 2.541 10 70 CFIERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000217744692 539665974 /nfs/dbraw/zinc/66/59/74/539665974.db2.gz TZADZTCWOZQMOW-RBSFLKMASA-N 1 0 260.381 2.600 10 70 CFIERO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000218300861 539690338 /nfs/dbraw/zinc/69/03/38/539690338.db2.gz JQXCIIJUXQHYGK-NWANDNLSSA-N 1 0 263.381 2.519 10 70 CFIERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1CCC[C@@H]1O ZINC000159476863 378712687 /nfs/dbraw/zinc/71/26/87/378712687.db2.gz IJCRDYVQQNVRMV-PBHICJAKSA-N 1 0 270.376 2.828 10 70 CFIERO CC(C)[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160560249 378782971 /nfs/dbraw/zinc/78/29/71/378782971.db2.gz WAYSSOWMESBXIL-SECBINFHSA-N 1 0 257.175 2.978 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[NH+](C)C ZINC000161248482 378834217 /nfs/dbraw/zinc/83/42/17/378834217.db2.gz MBLJTKYIBZNVBE-HZMBPMFUSA-N 1 0 284.350 2.872 10 70 CFIERO CC(C)[C@@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159724523 322327491 /nfs/dbraw/zinc/32/74/91/322327491.db2.gz QQGDZOROQHKFRN-CQSZACIVSA-N 1 0 283.460 2.794 10 70 CFIERO CCc1cccc(CC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000160004022 322331571 /nfs/dbraw/zinc/33/15/71/322331571.db2.gz MGLBFJCNWQUEBO-QGZVFWFLSA-N 1 0 288.435 2.734 10 70 CFIERO CCC[C@@H](C(=O)NC[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000161454339 322352046 /nfs/dbraw/zinc/35/20/46/322352046.db2.gz ANECPSXBYAACAK-RDJZCZTQSA-N 1 0 288.435 2.953 10 70 CFIERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000161325494 521716786 /nfs/dbraw/zinc/71/67/86/521716786.db2.gz NRPMGCIBVUZCSA-FVQBIDKESA-N 1 0 278.440 2.661 10 70 CFIERO CCc1noc(C)c1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161015346 522839819 /nfs/dbraw/zinc/83/98/19/522839819.db2.gz QOBSUZLEUGJGTB-CZUORRHYSA-N 1 0 278.396 2.672 10 70 CFIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000161307082 523607394 /nfs/dbraw/zinc/60/73/94/523607394.db2.gz BCFRAAHZJFUZHA-AWEZNQCLSA-N 1 0 288.370 2.817 10 70 CFIERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000159608479 524637494 /nfs/dbraw/zinc/63/74/94/524637494.db2.gz QFQJNLJLFQQJIC-CZUORRHYSA-N 1 0 288.391 2.788 10 70 CFIERO Cn1nccc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160525172 527599373 /nfs/dbraw/zinc/59/93/73/527599373.db2.gz WDCCFAXYLREJQS-UHFFFAOYSA-N 1 0 273.355 2.939 10 70 CFIERO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)ccc1F ZINC000218233495 539688178 /nfs/dbraw/zinc/68/81/78/539688178.db2.gz FFJMLGLGEFOULI-CYZMBNFOSA-N 1 0 267.344 2.788 10 70 CFIERO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000218295327 539690150 /nfs/dbraw/zinc/69/01/50/539690150.db2.gz LRJRWCROHZJRSY-CWRNSKLLSA-N 1 0 277.408 2.909 10 70 CFIERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000218304153 539690730 /nfs/dbraw/zinc/69/07/30/539690730.db2.gz PVKNKGOBITWONT-MELADBBJSA-N 1 0 263.381 2.958 10 70 CFIERO CCC[C@@H](C(=O)NCc1nc2ccccc2s1)[NH+](C)C ZINC000161415337 188526084 /nfs/dbraw/zinc/52/60/84/188526084.db2.gz BHNGPWABFJGMDV-LBPRGKRZSA-N 1 0 291.420 2.643 10 70 CFIERO CCCn1nccc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000159981075 540666442 /nfs/dbraw/zinc/66/64/42/540666442.db2.gz MVUCGFXQHZQOMK-KRWDZBQOSA-N 1 0 286.423 2.686 10 70 CFIERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1nnc2ccccn21 ZINC000217641116 296162272 /nfs/dbraw/zinc/16/22/72/296162272.db2.gz CXBIXMMJZIQXLV-XQQFMLRXSA-N 1 0 258.369 2.959 10 70 CFIERO CCSCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000160083090 378747536 /nfs/dbraw/zinc/74/75/36/378747536.db2.gz NKFVROXMMWKPHN-CYBMUJFWSA-N 1 0 265.426 2.569 10 70 CFIERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)Cc1cccnc1 ZINC000159459265 378710221 /nfs/dbraw/zinc/71/02/21/378710221.db2.gz DXSSJBINSCYYAJ-LSDHHAIUSA-N 1 0 297.402 2.779 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccs1 ZINC000160491761 378776453 /nfs/dbraw/zinc/77/64/53/378776453.db2.gz LXYHQVNQLPWBQJ-CYBMUJFWSA-N 1 0 280.437 2.527 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC000160537006 378778707 /nfs/dbraw/zinc/77/87/07/378778707.db2.gz DYBBHIWTNLFQBU-OAHLLOKOSA-N 1 0 292.398 2.605 10 70 CFIERO CCC[C@@H](C(=O)N[C@H](C)c1ccccc1C)[NH+](C)C ZINC000161241770 378833139 /nfs/dbraw/zinc/83/31/39/378833139.db2.gz MMDWIPSXLWZWOV-HIFRSBDPSA-N 1 0 262.397 2.903 10 70 CFIERO CCC[C@H](C(=O)NCc1cccc(Cl)c1)[NH+](C)C ZINC000161173980 378827501 /nfs/dbraw/zinc/82/75/01/378827501.db2.gz BGGATUADIGLIDW-CYBMUJFWSA-N 1 0 268.788 2.687 10 70 CFIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(C(C)C)s1 ZINC000160363729 322336952 /nfs/dbraw/zinc/33/69/52/322336952.db2.gz HYXVIQJDDTULSO-LBPRGKRZSA-N 1 0 297.468 2.973 10 70 CFIERO CCC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccccn1 ZINC000159393487 322322506 /nfs/dbraw/zinc/32/25/06/322322506.db2.gz LIWQQHOVQKDMNA-CQSZACIVSA-N 1 0 258.369 2.718 10 70 CFIERO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c1 ZINC000160240361 322335225 /nfs/dbraw/zinc/33/52/25/322335225.db2.gz RWNRDJMRKQIXCG-HIFRSBDPSA-N 1 0 265.397 2.822 10 70 CFIERO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160562665 322339542 /nfs/dbraw/zinc/33/95/42/322339542.db2.gz SGSPJSZLCWRYRV-QGZVFWFLSA-N 1 0 288.435 2.774 10 70 CFIERO COc1ccccc1C[C@@H]([NH2+]CC(C)(C)O)C(C)C ZINC000160652818 322341329 /nfs/dbraw/zinc/34/13/29/322341329.db2.gz CXFVITGITVSFLW-CQSZACIVSA-N 1 0 265.397 2.623 10 70 CFIERO CCC[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+](C)C ZINC000161215756 322348809 /nfs/dbraw/zinc/34/88/09/322348809.db2.gz OISGWUJISHLIPZ-CQSZACIVSA-N 1 0 266.360 2.514 10 70 CFIERO CCC[C@@H](C(=O)N(C)CCOc1ccc(C)cc1)[NH+](C)C ZINC000161332556 322350427 /nfs/dbraw/zinc/35/04/27/322350427.db2.gz ZMXHIHVVDZQGBV-INIZCTEOSA-N 1 0 292.423 2.563 10 70 CFIERO CCC[C@H](C(=O)N(C)CCOc1ccccc1C)[NH+](C)C ZINC000161333787 322350516 /nfs/dbraw/zinc/35/05/16/322350516.db2.gz VMFJNXHQFNEGNM-OAHLLOKOSA-N 1 0 292.423 2.563 10 70 CFIERO CCOC[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159987815 520130952 /nfs/dbraw/zinc/13/09/52/520130952.db2.gz UCMDAHVXQSRXSI-MRXNPFEDSA-N 1 0 294.414 2.616 10 70 CFIERO Cc1cccc(NC[C@H]2CC[N@H+](CCOCC3CC3)C2)n1 ZINC000160088356 524684181 /nfs/dbraw/zinc/68/41/81/524684181.db2.gz XQTNUUJBUAKCGK-MRXNPFEDSA-N 1 0 289.423 2.550 10 70 CFIERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000160225595 524828291 /nfs/dbraw/zinc/82/82/91/524828291.db2.gz VEBTVXCHZWQWSD-KGLIPLIRSA-N 1 0 262.397 2.806 10 70 CFIERO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)c1 ZINC000160225729 524830954 /nfs/dbraw/zinc/83/09/54/524830954.db2.gz VEBTVXCHZWQWSD-ZIAGYGMSSA-N 1 0 262.397 2.806 10 70 CFIERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000161045498 526919027 /nfs/dbraw/zinc/91/90/27/526919027.db2.gz LNCXYOGBDZPTJA-HNNXBMFYSA-N 1 0 271.364 2.833 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1F ZINC000217649232 539660351 /nfs/dbraw/zinc/66/03/51/539660351.db2.gz FEZJZKUCIJXDNY-CYZMBNFOSA-N 1 0 267.344 2.788 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccsc1 ZINC000160481272 378776173 /nfs/dbraw/zinc/77/61/73/378776173.db2.gz GTRBWZDJEIVJAL-OAHLLOKOSA-N 1 0 294.464 2.917 10 70 CFIERO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000160696101 378791115 /nfs/dbraw/zinc/79/11/15/378791115.db2.gz CQGXJVTUFLCOMR-KRWDZBQOSA-N 1 0 292.423 2.643 10 70 CFIERO CCC[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C ZINC000161181933 378828973 /nfs/dbraw/zinc/82/89/73/378828973.db2.gz RUHRWSONGSPPEE-MRXNPFEDSA-N 1 0 287.407 2.557 10 70 CFIERO CCC[C@@H](C(=O)Nc1ccc2oc(C)nc2c1)[NH+](C)C ZINC000161323720 378839419 /nfs/dbraw/zinc/83/94/19/378839419.db2.gz HUFQRWTZGVNZKG-ZDUSSCGKSA-N 1 0 275.352 2.805 10 70 CFIERO CC[C@@](C)(O)CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000161497270 378850581 /nfs/dbraw/zinc/85/05/81/378850581.db2.gz WILBAKTUXLRKDM-DAWZGUTISA-N 1 0 296.499 2.980 10 70 CFIERO CC(C)C[C@H](C[NH3+])NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160198792 279136199 /nfs/dbraw/zinc/13/61/99/279136199.db2.gz XEKKYYRNOJEDTL-BAPHQMLMSA-N 1 0 278.440 2.548 10 70 CFIERO CCc1noc(C)c1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161015478 522838002 /nfs/dbraw/zinc/83/80/02/522838002.db2.gz QOBSUZLEUGJGTB-CJNGLKHVSA-N 1 0 278.396 2.672 10 70 CFIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000161338203 523601168 /nfs/dbraw/zinc/60/11/68/523601168.db2.gz XTKXLDHIFHXACU-OAHLLOKOSA-N 1 0 270.380 2.678 10 70 CFIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)nc1C ZINC000159999476 378742420 /nfs/dbraw/zinc/74/24/20/378742420.db2.gz WEDCAYLYDRQNMR-GFCCVEGCSA-N 1 0 295.814 2.600 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161153057 378826541 /nfs/dbraw/zinc/82/65/41/378826541.db2.gz SDVMVONDOHTESA-QMMMGPOBSA-N 1 0 293.251 2.964 10 70 CFIERO CCC[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)[NH+](C)C ZINC000161422920 378846660 /nfs/dbraw/zinc/84/66/60/378846660.db2.gz BPPJDJWRHPOBML-AWEZNQCLSA-N 1 0 259.353 2.837 10 70 CFIERO Cc1cc2cc(C(=O)N3CCC[C@H]3C[NH3+])oc2cc1C ZINC000160151403 280690820 /nfs/dbraw/zinc/69/08/20/280690820.db2.gz ZFWPYKONVLDEHU-ZDUSSCGKSA-N 1 0 272.348 2.613 10 70 CFIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160222468 322334750 /nfs/dbraw/zinc/33/47/50/322334750.db2.gz ZRYFZEDXPTWKIG-HIFRSBDPSA-N 1 0 293.455 2.595 10 70 CFIERO Cc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)c1 ZINC000160263311 322335782 /nfs/dbraw/zinc/33/57/82/322335782.db2.gz URBDGDRRLLYHCD-KGLIPLIRSA-N 1 0 262.397 2.806 10 70 CFIERO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160572365 322340306 /nfs/dbraw/zinc/34/03/06/322340306.db2.gz BSPBFVBUAOOIME-HZPDHXFCSA-N 1 0 278.440 2.805 10 70 CFIERO CCC[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC000161135067 322347409 /nfs/dbraw/zinc/34/74/09/322347409.db2.gz OCAKGQDTSYACNO-ZDUSSCGKSA-N 1 0 268.788 2.687 10 70 CFIERO CCC[C@@H](C(=O)N(C)CCOc1ccccc1C)[NH+](C)C ZINC000161333650 322350402 /nfs/dbraw/zinc/35/04/02/322350402.db2.gz VMFJNXHQFNEGNM-HNNXBMFYSA-N 1 0 292.423 2.563 10 70 CFIERO CCC[C@H](C(=O)NCc1ccc(C)cc1C)[NH+](C)C ZINC000161478593 322352355 /nfs/dbraw/zinc/35/23/55/322352355.db2.gz POHRHDMLJRCIEO-OAHLLOKOSA-N 1 0 262.397 2.650 10 70 CFIERO CCSCC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000160055689 521706237 /nfs/dbraw/zinc/70/62/37/521706237.db2.gz VJXUTECTHKKLIS-UHFFFAOYSA-N 1 0 267.442 2.836 10 70 CFIERO COCC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159642688 522932747 /nfs/dbraw/zinc/93/27/47/522932747.db2.gz NAGWEYYYTFSLAB-UHFFFAOYSA-N 1 0 294.414 2.616 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000161420769 523659916 /nfs/dbraw/zinc/65/99/16/523659916.db2.gz XWEXTKDWAQABQR-QGZVFWFLSA-N 1 0 276.424 2.748 10 70 CFIERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159630447 524980157 /nfs/dbraw/zinc/98/01/57/524980157.db2.gz YNRQCVQSBDAMBF-ONGXEEELSA-N 1 0 284.762 2.798 10 70 CFIERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159630668 524985088 /nfs/dbraw/zinc/98/50/88/524985088.db2.gz YNRQCVQSBDAMBF-GXSJLCMTSA-N 1 0 284.762 2.798 10 70 CFIERO Fc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160544492 526330644 /nfs/dbraw/zinc/33/06/44/526330644.db2.gz UORLPDUWJUMKBL-UHFFFAOYSA-N 1 0 259.328 2.928 10 70 CFIERO CCCN(C(=O)C1C2CC3CC(C2)CC1C3)[C@@H]1CC[NH2+]C1 ZINC000160109863 527733255 /nfs/dbraw/zinc/73/32/55/527733255.db2.gz UUUSLGMOXWSCIN-OBYDGYHJSA-N 1 0 290.451 2.659 10 70 CFIERO CC[C@](C)(O)C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000161247764 378833802 /nfs/dbraw/zinc/83/38/02/378833802.db2.gz LMRQYMZJQHSVPR-RCBQFDQVSA-N 1 0 281.371 2.749 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000160518458 394366415 /nfs/dbraw/zinc/36/64/15/394366415.db2.gz DXUOHAKLIOAIHB-XHSDSOJGSA-N 1 0 296.455 2.571 10 70 CFIERO CCC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)[NH+](C)C ZINC000161170671 276021665 /nfs/dbraw/zinc/02/16/65/276021665.db2.gz WFRQEMSYXHGOQP-ZBFHGGJFSA-N 1 0 276.424 2.854 10 70 CFIERO CCC[C@@H](C(=O)N(CC)Cc1ccccc1)[NH+](C)C ZINC000161395681 278853824 /nfs/dbraw/zinc/85/38/24/278853824.db2.gz FVIWZZFYMQBLTI-HNNXBMFYSA-N 1 0 262.397 2.765 10 70 CFIERO CCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000159456379 322322931 /nfs/dbraw/zinc/32/29/31/322322931.db2.gz UWFDSTNAAXBRPC-CQSZACIVSA-N 1 0 281.444 2.596 10 70 CFIERO CCC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000160365923 322337054 /nfs/dbraw/zinc/33/70/54/322337054.db2.gz XLSBUBWQZJASDL-HZPDHXFCSA-N 1 0 274.408 2.911 10 70 CFIERO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160572166 322339939 /nfs/dbraw/zinc/33/99/39/322339939.db2.gz BSPBFVBUAOOIME-CVEARBPZSA-N 1 0 278.440 2.805 10 70 CFIERO CCC[C@@H](C(=O)N1CCC[C@H](CC)CC1)[NH+](C)C ZINC000160791403 322342784 /nfs/dbraw/zinc/34/27/84/322342784.db2.gz OOZWKOFUQSRLPN-KBPBESRZSA-N 1 0 254.418 2.755 10 70 CFIERO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000161133788 322347584 /nfs/dbraw/zinc/34/75/84/322347584.db2.gz QQWYOVVMNDBBHI-IAGOWNOFSA-N 1 0 290.451 2.757 10 70 CFIERO CN(CC[NH+](C)C)c1ccnc2c(F)cc(F)cc12 ZINC000159803204 521748183 /nfs/dbraw/zinc/74/81/83/521748183.db2.gz NHVUDLAQNIPIOT-UHFFFAOYSA-N 1 0 265.307 2.511 10 70 CFIERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000159604146 522528362 /nfs/dbraw/zinc/52/83/62/522528362.db2.gz HIPBWMXZMZEUSL-KGLIPLIRSA-N 1 0 284.407 2.815 10 70 CFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC000161273966 523598114 /nfs/dbraw/zinc/59/81/14/523598114.db2.gz STYXZTRXBAUVGT-CYBMUJFWSA-N 1 0 250.390 2.524 10 70 CFIERO Fc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160545061 526409849 /nfs/dbraw/zinc/40/98/49/526409849.db2.gz WOUYIPZJOJEORB-UHFFFAOYSA-N 1 0 259.328 2.928 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000217653905 539660927 /nfs/dbraw/zinc/66/09/27/539660927.db2.gz BDSOFBGVVRIOEH-YNEHKIRRSA-N 1 0 279.380 2.658 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000217654052 539661650 /nfs/dbraw/zinc/66/16/50/539661650.db2.gz BDSOFBGVVRIOEH-RWMBFGLXSA-N 1 0 279.380 2.658 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000218300602 539690035 /nfs/dbraw/zinc/69/00/35/539690035.db2.gz MYUJRCIRJNCCIV-QJPTWQEYSA-N 1 0 267.344 2.788 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccco1 ZINC000160427526 378772681 /nfs/dbraw/zinc/77/26/81/378772681.db2.gz GPFCHFPRJRFLSC-HSBSLETESA-N 1 0 276.380 2.529 10 70 CFIERO CC[C@](C)(O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000160678287 378791132 /nfs/dbraw/zinc/79/11/32/378791132.db2.gz SPOGDWCZMZHKPK-KRWDZBQOSA-N 1 0 277.408 2.938 10 70 CFIERO CCC[C@H](C(=O)NCCSc1ccccc1)[NH+](C)C ZINC000161274994 378835191 /nfs/dbraw/zinc/83/51/91/378835191.db2.gz GBUILSMDGXJDPQ-CQSZACIVSA-N 1 0 280.437 2.625 10 70 CFIERO CCC[C@H](C(=O)Nc1ccc(OCC)cc1)[NH+](C)C ZINC000161147015 378826051 /nfs/dbraw/zinc/82/60/51/378826051.db2.gz KAQPTFZJPCPTHM-CQSZACIVSA-N 1 0 264.369 2.754 10 70 CFIERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160226449 322334848 /nfs/dbraw/zinc/33/48/48/322334848.db2.gz KZBVDOGMHAMTFU-KGLIPLIRSA-N 1 0 262.397 2.950 10 70 CFIERO Cc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C)c1 ZINC000160263181 322335549 /nfs/dbraw/zinc/33/55/49/322335549.db2.gz URBDGDRRLLYHCD-KBPBESRZSA-N 1 0 262.397 2.806 10 70 CFIERO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160572059 322339682 /nfs/dbraw/zinc/33/96/82/322339682.db2.gz BSPBFVBUAOOIME-HOTGVXAUSA-N 1 0 278.440 2.805 10 70 CFIERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(OC)c(F)c1)[NH+](C)C ZINC000161284524 322350039 /nfs/dbraw/zinc/35/00/39/322350039.db2.gz SEYGJIZNGAVRJI-RISCZKNCSA-N 1 0 296.386 2.742 10 70 CFIERO CCOCC[N@H+](CC)CCN(C)Cc1ccc(F)cc1 ZINC000159555091 519909327 /nfs/dbraw/zinc/90/93/27/519909327.db2.gz OYMMZTCSALCUGA-UHFFFAOYSA-N 1 0 282.403 2.616 10 70 CFIERO C[N@H+](CCN(CC(F)F)C1CC1)Cc1ccc(F)cc1 ZINC000159544086 522819055 /nfs/dbraw/zinc/81/90/55/522819055.db2.gz WAECZMLYOKMZHI-UHFFFAOYSA-N 1 0 286.341 2.987 10 70 CFIERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000217626934 539659928 /nfs/dbraw/zinc/65/99/28/539659928.db2.gz MGTBHSRKUKQFRW-IUIKQTSFSA-N 1 0 276.380 2.599 10 70 CFIERO C[C@H](CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000160729796 188488354 /nfs/dbraw/zinc/48/83/54/188488354.db2.gz JSXKVPDLOFPKIC-AGIUHOORSA-N 1 0 280.437 2.951 10 70 CFIERO CCN1CCO[C@H](C[NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000160792669 541479741 /nfs/dbraw/zinc/47/97/41/541479741.db2.gz QBMQATHWYOKHFH-CQSZACIVSA-N 1 0 288.391 2.552 10 70 CFIERO CCSCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000160083227 378747108 /nfs/dbraw/zinc/74/71/08/378747108.db2.gz NKFVROXMMWKPHN-ZDUSSCGKSA-N 1 0 265.426 2.569 10 70 CFIERO CC[C@@](C)(O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161153194 378826629 /nfs/dbraw/zinc/82/66/29/378826629.db2.gz SDVMVONDOHTESA-MRVPVSSYSA-N 1 0 293.251 2.964 10 70 CFIERO CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159551409 394365548 /nfs/dbraw/zinc/36/55/48/394365548.db2.gz NKBSRYRMJCCAFA-UONOGXRCSA-N 1 0 290.407 2.745 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160518508 394366571 /nfs/dbraw/zinc/36/65/71/394366571.db2.gz IMJBTALFVZSLEJ-VXGBXAGGSA-N 1 0 296.361 2.702 10 70 CFIERO CCc1cccc(CC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000160003881 322331366 /nfs/dbraw/zinc/33/13/66/322331366.db2.gz MGLBFJCNWQUEBO-KRWDZBQOSA-N 1 0 288.435 2.734 10 70 CFIERO CCC[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC000161135200 322347720 /nfs/dbraw/zinc/34/77/20/322347720.db2.gz OCAKGQDTSYACNO-CYBMUJFWSA-N 1 0 268.788 2.687 10 70 CFIERO CCOC[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159987932 520181701 /nfs/dbraw/zinc/18/17/01/520181701.db2.gz UCMDAHVXQSRXSI-INIZCTEOSA-N 1 0 294.414 2.616 10 70 CFIERO CCN1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127968 521625415 /nfs/dbraw/zinc/62/54/15/521625415.db2.gz KNIMOQBQIASDNQ-OAHLLOKOSA-N 1 0 257.381 2.742 10 70 CFIERO CCc1csc([C@@H]2CCC[N@H+](CC(OC)OC)C2)n1 ZINC000160787691 522115032 /nfs/dbraw/zinc/11/50/32/522115032.db2.gz JHSOAYRQSJPZBL-LLVKDONJSA-N 1 0 284.425 2.504 10 70 CFIERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000159608727 524562304 /nfs/dbraw/zinc/56/23/04/524562304.db2.gz QFQJNLJLFQQJIC-CJNGLKHVSA-N 1 0 288.391 2.788 10 70 CFIERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160964304 527441352 /nfs/dbraw/zinc/44/13/52/527441352.db2.gz BHWLRHBMOSWVDJ-HNNXBMFYSA-N 1 0 295.390 2.504 10 70 CFIERO CCn1cc(C2CC[NH+](CCOCC3CC3)CC2)cn1 ZINC000160055214 232246936 /nfs/dbraw/zinc/24/69/36/232246936.db2.gz RAAULGRSBZGOCZ-UHFFFAOYSA-N 1 0 277.412 2.509 10 70 CFIERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000159387139 348012496 /nfs/dbraw/zinc/01/24/96/348012496.db2.gz SLUNXXQEELZHBQ-HZPDHXFCSA-N 1 0 270.376 2.670 10 70 CFIERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217660387 539661970 /nfs/dbraw/zinc/66/19/70/539661970.db2.gz OTHPCMNCILZLNT-MELADBBJSA-N 1 0 263.381 2.958 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160518723 188477094 /nfs/dbraw/zinc/47/70/94/188477094.db2.gz IMJBTALFVZSLEJ-NWDGAFQWSA-N 1 0 296.361 2.702 10 70 CFIERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1noc3c1CCCC3)CC2 ZINC000161026596 541517080 /nfs/dbraw/zinc/51/70/80/541517080.db2.gz FLLTYMOGYYPKQK-CXAGYDPISA-N 1 0 290.407 2.680 10 70 CFIERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159476721 378712104 /nfs/dbraw/zinc/71/21/04/378712104.db2.gz IJCRDYVQQNVRMV-YOEHRIQHSA-N 1 0 270.376 2.828 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(Cl)c1 ZINC000160532267 378778423 /nfs/dbraw/zinc/77/84/23/378778423.db2.gz IREPZGNUBXDKGN-CYBMUJFWSA-N 1 0 295.814 2.585 10 70 CFIERO COc1ccc(F)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160764646 378796085 /nfs/dbraw/zinc/79/60/85/378796085.db2.gz ATPUDECIFUPWSN-RHSMWYFYSA-N 1 0 293.382 2.961 10 70 CFIERO CCC[C@@H](C(=O)NCc1ccccc1Cl)[NH+](C)C ZINC000161173491 378827122 /nfs/dbraw/zinc/82/71/22/378827122.db2.gz WTRZLHBELJHHQA-ZDUSSCGKSA-N 1 0 268.788 2.687 10 70 CFIERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000161330493 378838843 /nfs/dbraw/zinc/83/88/43/378838843.db2.gz IQGHUJLZFBLNTQ-IKGGRYGDSA-N 1 0 277.408 2.736 10 70 CFIERO COC(=O)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000217344968 382785741 /nfs/dbraw/zinc/78/57/41/382785741.db2.gz ZRKSXXBWSFQXJY-CVEARBPZSA-N 1 0 289.375 2.617 10 70 CFIERO C[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H]1C[NH3+] ZINC000160201627 296367011 /nfs/dbraw/zinc/36/70/11/296367011.db2.gz XVYFVZSRXPTWML-NNKSGKNISA-N 1 0 290.451 2.645 10 70 CFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC2(CCC2)C1 ZINC000160813009 279123079 /nfs/dbraw/zinc/12/30/79/279123079.db2.gz KLLMYVLPETZZCU-CQSZACIVSA-N 1 0 281.444 2.548 10 70 CFIERO CC1(C)CCC(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000159688596 322326797 /nfs/dbraw/zinc/32/67/97/322326797.db2.gz BUGGLZWGYUKFED-HNNXBMFYSA-N 1 0 278.440 2.900 10 70 CFIERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1 ZINC000160264996 322335777 /nfs/dbraw/zinc/33/57/77/322335777.db2.gz RWNRDJMRKQIXCG-DZGCQCFKSA-N 1 0 265.397 2.822 10 70 CFIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1cccc(F)c1)CC2 ZINC000160771940 322342884 /nfs/dbraw/zinc/34/28/84/322342884.db2.gz SVHSZFVJBZVBOX-RHSMWYFYSA-N 1 0 293.382 2.832 10 70 CFIERO O=C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000161133428 322347493 /nfs/dbraw/zinc/34/74/93/322347493.db2.gz QQWYOVVMNDBBHI-IRXDYDNUSA-N 1 0 290.451 2.757 10 70 CFIERO CCC[C@@H](C(=O)NCCc1cccc(Cl)c1)[NH+](C)C ZINC000161258477 322349277 /nfs/dbraw/zinc/34/92/77/322349277.db2.gz VVWXYXZVPUELPY-AWEZNQCLSA-N 1 0 282.815 2.729 10 70 CFIERO CC(C)C[C@@H](C[NH3+])Nc1ccncc1Br ZINC000159903016 519776416 /nfs/dbraw/zinc/77/64/16/519776416.db2.gz MHKMZEWLABBIHV-VIFPVBQESA-N 1 0 272.190 2.629 10 70 CFIERO CN(CC[N@H+](C)CCOCC1CC1)Cc1ccc(F)cc1 ZINC000160125488 522892688 /nfs/dbraw/zinc/89/26/88/522892688.db2.gz UDIFJWNPFRJXAP-UHFFFAOYSA-N 1 0 294.414 2.616 10 70 CFIERO COc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000160651807 525934079 /nfs/dbraw/zinc/93/40/79/525934079.db2.gz AQJRKQXJXYSUHW-UHFFFAOYSA-N 1 0 285.391 2.808 10 70 CFIERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000159984071 348015113 /nfs/dbraw/zinc/01/51/13/348015113.db2.gz DYZDMQHUXSETJR-DOMZBBRYSA-N 1 0 282.815 2.711 10 70 CFIERO CCSCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000160088805 378746740 /nfs/dbraw/zinc/74/67/40/378746740.db2.gz WSCSFDOZEKRIFH-CQSZACIVSA-N 1 0 279.453 2.877 10 70 CFIERO CC(C)OC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160327753 378763362 /nfs/dbraw/zinc/76/33/62/378763362.db2.gz QAEWCDOIBJJJBA-UHFFFAOYSA-N 1 0 264.369 2.643 10 70 CFIERO COC(C[N@@H+]1CCCC[C@H]1c1ccc(C)o1)OC ZINC000161235303 378832799 /nfs/dbraw/zinc/83/27/99/378832799.db2.gz JYFROGGLBDTDAD-LBPRGKRZSA-N 1 0 253.342 2.734 10 70 CFIERO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000217344884 382785935 /nfs/dbraw/zinc/78/59/35/382785935.db2.gz ZRKSXXBWSFQXJY-HZPDHXFCSA-N 1 0 289.375 2.617 10 70 CFIERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)c2ccsc2S1 ZINC000217001347 393755807 /nfs/dbraw/zinc/75/58/07/393755807.db2.gz HNOKDQHVVDLIJJ-DMDPSCGWSA-N 1 0 298.477 2.594 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000160518089 394366543 /nfs/dbraw/zinc/36/65/43/394366543.db2.gz DXUOHAKLIOAIHB-BZUAXINKSA-N 1 0 296.455 2.571 10 70 CFIERO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000217595371 280932257 /nfs/dbraw/zinc/93/22/57/280932257.db2.gz QUGWYGWQJJCSEX-DEBLGDTFSA-N 1 0 278.783 2.693 10 70 CFIERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160203856 295266247 /nfs/dbraw/zinc/26/62/47/295266247.db2.gz CBUAHGGKMBNGSO-CCDXNHEYSA-N 1 0 290.451 2.692 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C ZINC000160428024 322338153 /nfs/dbraw/zinc/33/81/53/322338153.db2.gz YZRNYBLWPDMYJL-CYBMUJFWSA-N 1 0 254.418 2.659 10 70 CFIERO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1 ZINC000160240503 322335342 /nfs/dbraw/zinc/33/53/42/322335342.db2.gz RWNRDJMRKQIXCG-UKRRQHHQSA-N 1 0 265.397 2.822 10 70 CFIERO CCC[C@H](C(=O)NCCOc1ccc(Cl)cc1)[NH+](C)C ZINC000161268986 322349667 /nfs/dbraw/zinc/34/96/67/322349667.db2.gz VWAIGMILOPAFGN-CQSZACIVSA-N 1 0 298.814 2.565 10 70 CFIERO CCOC(=O)CCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160511593 520627080 /nfs/dbraw/zinc/62/70/80/520627080.db2.gz RJLCMKCGKYPXLG-WBVHZDCISA-N 1 0 297.439 2.737 10 70 CFIERO C[N@H+](CCN1CCOCC12CCC2)Cc1ccc(F)cc1 ZINC000160937395 522839587 /nfs/dbraw/zinc/83/95/87/522839587.db2.gz XJABCZVTMQUANR-UHFFFAOYSA-N 1 0 292.398 2.512 10 70 CFIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161339591 526538466 /nfs/dbraw/zinc/53/84/66/526538466.db2.gz VAOIMIXDNOUDJJ-RRQGHBQHSA-N 1 0 290.451 2.803 10 70 CFIERO Cc1nc(CCN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cs1 ZINC000218133575 526813059 /nfs/dbraw/zinc/81/30/59/526813059.db2.gz PTUIRIWDHJORTB-SWLSCSKDSA-N 1 0 279.453 2.553 10 70 CFIERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)no1 ZINC000161050854 348023055 /nfs/dbraw/zinc/02/30/55/348023055.db2.gz GQNZCLSYXFVRMV-GFCCVEGCSA-N 1 0 292.408 2.598 10 70 CFIERO CCCn1nccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000160053130 540668107 /nfs/dbraw/zinc/66/81/07/540668107.db2.gz LPBAYPLWUKUTPB-OAHLLOKOSA-N 1 0 271.364 2.907 10 70 CFIERO CCC[C@@H](C(=O)N[C@H]1CCCc2sccc21)[NH+](C)C ZINC000159982371 378742617 /nfs/dbraw/zinc/74/26/17/378742617.db2.gz DBKPFCCIOSTALI-STQMWFEESA-N 1 0 280.437 2.972 10 70 CFIERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC000161246604 378832419 /nfs/dbraw/zinc/83/24/19/378832419.db2.gz REWOOSNNCGLANI-IINYFYTJSA-N 1 0 284.350 2.872 10 70 CFIERO CCC[C@H](C(=O)Nc1ccc2nc(C)oc2c1)[NH+](C)C ZINC000161448681 378847522 /nfs/dbraw/zinc/84/75/22/378847522.db2.gz CZXXWFGHFUSBNI-CYBMUJFWSA-N 1 0 275.352 2.805 10 70 CFIERO CCC[C@@H](C(=O)N(CC)Cc1cccs1)[NH+](C)C ZINC000161444967 378847926 /nfs/dbraw/zinc/84/79/26/378847926.db2.gz SLBOZXAUDVNRNC-ZDUSSCGKSA-N 1 0 268.426 2.827 10 70 CFIERO CCC[C@@H](C(=O)NCc1ccccc1COCC)[NH+](C)C ZINC000161498455 378850695 /nfs/dbraw/zinc/85/06/95/378850695.db2.gz MDKXRAFZZHAEDT-INIZCTEOSA-N 1 0 292.423 2.570 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000160518202 394366395 /nfs/dbraw/zinc/36/63/95/394366395.db2.gz DXUOHAKLIOAIHB-ARFHVFGLSA-N 1 0 296.455 2.571 10 70 CFIERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000160348014 394366553 /nfs/dbraw/zinc/36/65/53/394366553.db2.gz QWTUVQCYZFPJHC-SOUVJXGZSA-N 1 0 271.445 2.967 10 70 CFIERO CCC[C@H](C(=O)NCC1(c2ccccc2)CC1)[NH+](C)C ZINC000161355854 273619959 /nfs/dbraw/zinc/61/99/59/273619959.db2.gz LECIREMECNPJRU-OAHLLOKOSA-N 1 0 274.408 2.565 10 70 CFIERO Cc1cc2cc(C(=O)N3CCC[C@@H]3C[NH3+])oc2cc1C ZINC000160151267 280690824 /nfs/dbraw/zinc/69/08/24/280690824.db2.gz ZFWPYKONVLDEHU-CYBMUJFWSA-N 1 0 272.348 2.613 10 70 CFIERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160203984 303420920 /nfs/dbraw/zinc/42/09/20/303420920.db2.gz CBUAHGGKMBNGSO-ZSROQAFGSA-N 1 0 290.451 2.692 10 70 CFIERO Cc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)c1 ZINC000160238822 322335039 /nfs/dbraw/zinc/33/50/39/322335039.db2.gz URBDGDRRLLYHCD-ZIAGYGMSSA-N 1 0 262.397 2.806 10 70 CFIERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160251934 322335298 /nfs/dbraw/zinc/33/52/98/322335298.db2.gz KZBVDOGMHAMTFU-UONOGXRCSA-N 1 0 262.397 2.950 10 70 CFIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(C(C)C)s1 ZINC000160363840 322336848 /nfs/dbraw/zinc/33/68/48/322336848.db2.gz HYXVIQJDDTULSO-GFCCVEGCSA-N 1 0 297.468 2.973 10 70 CFIERO CCCC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000160719991 322341881 /nfs/dbraw/zinc/34/18/81/322341881.db2.gz NAJZFSVWAFASES-MRXNPFEDSA-N 1 0 288.435 2.856 10 70 CFIERO CCC[C@H](C(=O)N1CCC[C@H](CC)CC1)[NH+](C)C ZINC000160791524 322342830 /nfs/dbraw/zinc/34/28/30/322342830.db2.gz OOZWKOFUQSRLPN-UONOGXRCSA-N 1 0 254.418 2.755 10 70 CFIERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(SC)c2)C1 ZINC000160989287 322345831 /nfs/dbraw/zinc/34/58/31/322345831.db2.gz LTDRACMYGRJGMB-GFCCVEGCSA-N 1 0 296.411 2.762 10 70 CFIERO CCCC[C@@H](C[NH3+])Nc1ccncc1Br ZINC000159919233 521049229 /nfs/dbraw/zinc/04/92/29/521049229.db2.gz TYGIDAJOYQMMOQ-VIFPVBQESA-N 1 0 272.190 2.774 10 70 CFIERO COc1c(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c(C)nn1C ZINC000218238160 521834205 /nfs/dbraw/zinc/83/42/05/521834205.db2.gz TWZKONKHZPJMSC-WCQYABFASA-N 1 0 265.401 2.653 10 70 CFIERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000159604004 522534184 /nfs/dbraw/zinc/53/41/84/522534184.db2.gz HIPBWMXZMZEUSL-ZIAGYGMSSA-N 1 0 284.407 2.815 10 70 CFIERO C[N@H+](CCN1CCOC2(CCC2)C1)Cc1ccc(F)cc1 ZINC000161312413 522834311 /nfs/dbraw/zinc/83/43/11/522834311.db2.gz FWLGWFFOGLBKNH-UHFFFAOYSA-N 1 0 292.398 2.512 10 70 CFIERO CN(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000161084778 522839100 /nfs/dbraw/zinc/83/91/00/522839100.db2.gz KPXXNGHXSKUKSG-SJLPKXTDSA-N 1 0 288.435 2.750 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000160770156 523662647 /nfs/dbraw/zinc/66/26/47/523662647.db2.gz LBSFYCHQPJHRJV-OAHLLOKOSA-N 1 0 255.402 2.571 10 70 CFIERO CCCN(C(=O)C1C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000160109974 527734211 /nfs/dbraw/zinc/73/42/11/527734211.db2.gz UUUSLGMOXWSCIN-IKXAHOJESA-N 1 0 290.451 2.659 10 70 CFIERO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000160136327 529343939 /nfs/dbraw/zinc/34/39/39/529343939.db2.gz SOXNAILJGNXKSW-OLZOCXBDSA-N 1 0 280.460 2.901 10 70 CFIERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000161464346 529509831 /nfs/dbraw/zinc/50/98/31/529509831.db2.gz BXFSYTQQWXTCAS-ZWKOTPCHSA-N 1 0 291.435 2.871 10 70 CFIERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000217662787 539661632 /nfs/dbraw/zinc/66/16/32/539661632.db2.gz BXIRGJYVOJQMOA-RWMBFGLXSA-N 1 0 279.380 2.658 10 70 CFIERO C[C@H](NC(=O)[C@H](C)N(C)Cc1cccnc1)c1ccccc1 ZINC000159459542 378711083 /nfs/dbraw/zinc/71/10/83/378711083.db2.gz DXSSJBINSCYYAJ-GJZGRUSLSA-N 1 0 297.402 2.779 10 70 CFIERO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@](C)(O)CC ZINC000160462823 378774500 /nfs/dbraw/zinc/77/45/00/378774500.db2.gz KGTSYYHKFLSFDH-QGZVFWFLSA-N 1 0 292.423 2.807 10 70 CFIERO CCC[C@H](C(=O)Nc1cc(C)cc(F)c1)[NH+](C)C ZINC000160659786 378789961 /nfs/dbraw/zinc/78/99/61/378789961.db2.gz VXSPJDYAHSMNHV-CYBMUJFWSA-N 1 0 252.333 2.803 10 70 CFIERO COc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160764796 378796144 /nfs/dbraw/zinc/79/61/44/378796144.db2.gz ATPUDECIFUPWSN-PBHICJAKSA-N 1 0 293.382 2.961 10 70 CFIERO CCC[C@H](C(=O)Nc1ccc2[nH]ccc2c1)[NH+](C)C ZINC000161423018 378845733 /nfs/dbraw/zinc/84/57/33/378845733.db2.gz BPPJDJWRHPOBML-CQSZACIVSA-N 1 0 259.353 2.837 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCC1 ZINC000160463245 322338789 /nfs/dbraw/zinc/33/87/89/322338789.db2.gz ZUXUQLIJDZGIFK-OAHLLOKOSA-N 1 0 266.429 2.803 10 70 CFIERO CCC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)[NH+](C)C ZINC000161170436 276268896 /nfs/dbraw/zinc/26/88/96/276268896.db2.gz WFRQEMSYXHGOQP-HOCLYGCPSA-N 1 0 276.424 2.854 10 70 CFIERO C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000218011501 298647236 /nfs/dbraw/zinc/64/72/36/298647236.db2.gz KJWMZGVXXAOIEO-KFWWJZLASA-N 1 0 268.445 2.512 10 70 CFIERO CCc1csc([C@H]2CCC[N@H+](CC(OC)OC)C2)n1 ZINC000160787813 522115768 /nfs/dbraw/zinc/11/57/68/522115768.db2.gz JHSOAYRQSJPZBL-NSHDSACASA-N 1 0 284.425 2.504 10 70 CFIERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)no1 ZINC000161050737 348023109 /nfs/dbraw/zinc/02/31/09/348023109.db2.gz GQNZCLSYXFVRMV-LBPRGKRZSA-N 1 0 292.408 2.598 10 70 CFIERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1OC ZINC000217618196 539659285 /nfs/dbraw/zinc/65/92/85/539659285.db2.gz ATHVLOJLGMBHCC-NWANDNLSSA-N 1 0 293.407 2.528 10 70 CFIERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1F ZINC000217649419 539660141 /nfs/dbraw/zinc/66/01/41/539660141.db2.gz FEZJZKUCIJXDNY-WCFLWFBJSA-N 1 0 267.344 2.788 10 70 CFIERO CC(C)[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160560363 188480224 /nfs/dbraw/zinc/48/02/24/188480224.db2.gz WAYSSOWMESBXIL-VIFPVBQESA-N 1 0 257.175 2.978 10 70 CFIERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)C1 ZINC000160667007 541446685 /nfs/dbraw/zinc/44/66/85/541446685.db2.gz BQKIOAXNADTZGG-BZUAXINKSA-N 1 0 268.445 2.512 10 70 CFIERO [NH3+][C@H](CNc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000160364619 378766235 /nfs/dbraw/zinc/76/62/35/378766235.db2.gz IPOSFMUYZMWYSJ-MRVPVSSYSA-N 1 0 288.298 2.669 10 70 CFIERO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC000160523322 378778530 /nfs/dbraw/zinc/77/85/30/378778530.db2.gz LGPHZLIIJVCPLV-GFCCVEGCSA-N 1 0 296.436 2.852 10 70 CFIERO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCC2 ZINC000160593875 378784710 /nfs/dbraw/zinc/78/47/10/378784710.db2.gz NONDUDGMDDCHAO-SCRDCRAPSA-N 1 0 280.437 2.970 10 70 CFIERO CCC[C@H](C(=O)Nc1ccc2oc(C)nc2c1)[NH+](C)C ZINC000161323839 378839888 /nfs/dbraw/zinc/83/98/88/378839888.db2.gz HUFQRWTZGVNZKG-CYBMUJFWSA-N 1 0 275.352 2.805 10 70 CFIERO CCC[C@H](C(=O)N(CC)Cc1ccccc1)[NH+](C)C ZINC000161395820 378844509 /nfs/dbraw/zinc/84/45/09/378844509.db2.gz FVIWZZFYMQBLTI-OAHLLOKOSA-N 1 0 262.397 2.765 10 70 CFIERO CCC[C@@H](C(=O)Nc1ccc2nc(C)oc2c1)[NH+](C)C ZINC000161448550 378848365 /nfs/dbraw/zinc/84/83/65/378848365.db2.gz CZXXWFGHFUSBNI-ZDUSSCGKSA-N 1 0 275.352 2.805 10 70 CFIERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160252890 322334980 /nfs/dbraw/zinc/33/49/80/322334980.db2.gz ZHJYBLCZAFNZNT-ZDUSSCGKSA-N 1 0 262.397 2.950 10 70 CFIERO CCC[C@H](C(=O)N[C@H](C)CCc1ccccc1)[NH+](C)C ZINC000161170794 276039026 /nfs/dbraw/zinc/03/90/26/276039026.db2.gz WFRQEMSYXHGOQP-GDBMZVCRSA-N 1 0 276.424 2.854 10 70 CFIERO CC[NH+](CC)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159989757 276094783 /nfs/dbraw/zinc/09/47/83/276094783.db2.gz FWNDLKZSKKXROB-CQSZACIVSA-N 1 0 290.407 2.747 10 70 CFIERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c1 ZINC000160264865 322335768 /nfs/dbraw/zinc/33/57/68/322335768.db2.gz RWNRDJMRKQIXCG-ZFWWWQNUSA-N 1 0 265.397 2.822 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC000160488058 322338742 /nfs/dbraw/zinc/33/87/42/322338742.db2.gz YUKMIMRNRBRCKC-QGZVFWFLSA-N 1 0 288.435 2.856 10 70 CFIERO CCC[C@H](C(=O)NC[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000161454456 322351717 /nfs/dbraw/zinc/35/17/17/322351717.db2.gz ANECPSXBYAACAK-DOTOQJQBSA-N 1 0 288.435 2.953 10 70 CFIERO CC(C)n1cncc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160775289 520054652 /nfs/dbraw/zinc/05/46/52/520054652.db2.gz DKOVIOZWGUXQPM-ZBFHGGJFSA-N 1 0 277.412 2.591 10 70 CFIERO CC(C)n1cncc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160775160 520056039 /nfs/dbraw/zinc/05/60/39/520056039.db2.gz DKOVIOZWGUXQPM-GDBMZVCRSA-N 1 0 277.412 2.591 10 70 CFIERO COc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000160536163 524024988 /nfs/dbraw/zinc/02/49/88/524024988.db2.gz QQDCIGXCXIGTSN-UHFFFAOYSA-N 1 0 271.364 2.798 10 70 CFIERO Cc1cnn([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000160983036 526266031 /nfs/dbraw/zinc/26/60/31/526266031.db2.gz IUPBNHLCPFOOJG-QGZVFWFLSA-N 1 0 290.455 2.704 10 70 CFIERO Cn1nccc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000160525749 527599732 /nfs/dbraw/zinc/59/97/32/527599732.db2.gz RLASWIQEEWDKQH-UHFFFAOYSA-N 1 0 273.355 2.939 10 70 CFIERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160424354 378772912 /nfs/dbraw/zinc/77/29/12/378772912.db2.gz UFIHYLQXGJFLDH-ZIAGYGMSSA-N 1 0 266.429 2.837 10 70 CFIERO C[C@H](CC(=O)N[C@@H](C)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000160729531 378794735 /nfs/dbraw/zinc/79/47/35/378794735.db2.gz JSXKVPDLOFPKIC-FRRDWIJNSA-N 1 0 280.437 2.951 10 70 CFIERO CCC[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C ZINC000161181822 378829106 /nfs/dbraw/zinc/82/91/06/378829106.db2.gz RUHRWSONGSPPEE-INIZCTEOSA-N 1 0 287.407 2.557 10 70 CFIERO CCC[C@@H](C(=O)NCC1(c2ccccc2)CC1)[NH+](C)C ZINC000161355738 276269034 /nfs/dbraw/zinc/26/90/34/276269034.db2.gz LECIREMECNPJRU-HNNXBMFYSA-N 1 0 274.408 2.565 10 70 CFIERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000160227285 322334801 /nfs/dbraw/zinc/33/48/01/322334801.db2.gz ZHJYBLCZAFNZNT-CYBMUJFWSA-N 1 0 262.397 2.950 10 70 CFIERO CCC[C@H](C(=O)Nc1ccc(C)c(F)c1)[NH+](C)C ZINC000161181290 322348679 /nfs/dbraw/zinc/34/86/79/322348679.db2.gz AXRGRWFMYNZSTQ-CYBMUJFWSA-N 1 0 252.333 2.803 10 70 CFIERO CCC[C@@H](C(=O)NCCOc1ccc(Cl)cc1)[NH+](C)C ZINC000161268862 322349723 /nfs/dbraw/zinc/34/97/23/322349723.db2.gz VWAIGMILOPAFGN-AWEZNQCLSA-N 1 0 298.814 2.565 10 70 CFIERO CCn1nc(C)c([C@H](C)[NH2+]CC2(CO)CCCC2)c1C ZINC000160112720 523663535 /nfs/dbraw/zinc/66/35/35/523663535.db2.gz XHWZREXRTMJCCZ-LBPRGKRZSA-N 1 0 279.428 2.723 10 70 CFIERO CC[C@@](C)(O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000161024496 523663688 /nfs/dbraw/zinc/66/36/88/523663688.db2.gz TVALLXDTQYXOGS-DLBZAZTESA-N 1 0 295.398 2.732 10 70 CFIERO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000160251258 524874040 /nfs/dbraw/zinc/87/40/40/524874040.db2.gz VEBTVXCHZWQWSD-KBPBESRZSA-N 1 0 262.397 2.806 10 70 CFIERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000161047373 526919246 /nfs/dbraw/zinc/91/92/46/526919246.db2.gz CRGXOYVLYDBKTL-AWEZNQCLSA-N 1 0 289.354 2.972 10 70 CFIERO CCC[C@@H](C(=O)Nc1nc2c(s1)CCCC2)[NH+](C)C ZINC000159690062 378724224 /nfs/dbraw/zinc/72/42/24/378724224.db2.gz VHGSGGARTPPPIR-NSHDSACASA-N 1 0 281.425 2.691 10 70 CFIERO CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000160342647 378765263 /nfs/dbraw/zinc/76/52/63/378765263.db2.gz WKYCMBALGDENFA-QGZVFWFLSA-N 1 0 276.424 2.880 10 70 CFIERO CC[C@](C)(O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000160342535 378765502 /nfs/dbraw/zinc/76/55/02/378765502.db2.gz WKYCMBALGDENFA-KRWDZBQOSA-N 1 0 276.424 2.880 10 70 CFIERO CCC[C@@H](C(=O)NCc1cccc(Cl)c1)[NH+](C)C ZINC000161173863 378827225 /nfs/dbraw/zinc/82/72/25/378827225.db2.gz BGGATUADIGLIDW-ZDUSSCGKSA-N 1 0 268.788 2.687 10 70 CFIERO CCC[C@H](C(=O)NCc1ccccc1Cl)[NH+](C)C ZINC000161173593 378828329 /nfs/dbraw/zinc/82/83/29/378828329.db2.gz WTRZLHBELJHHQA-CYBMUJFWSA-N 1 0 268.788 2.687 10 70 CFIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000161342237 378841693 /nfs/dbraw/zinc/84/16/93/378841693.db2.gz QXARSRFMPXZCRS-WFASDCNBSA-N 1 0 285.391 2.626 10 70 CFIERO CCC[C@H](C(=O)Nc1cnc2ccccc2c1)[NH+](C)C ZINC000161383326 378843158 /nfs/dbraw/zinc/84/31/58/378843158.db2.gz CEISJADMLLIERD-OAHLLOKOSA-N 1 0 271.364 2.904 10 70 CFIERO Cc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000217698836 382787551 /nfs/dbraw/zinc/78/75/51/382787551.db2.gz UJBHYFDRGIJGRW-CVEARBPZSA-N 1 0 274.408 2.725 10 70 CFIERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160776042 394366962 /nfs/dbraw/zinc/36/69/62/394366962.db2.gz NFYFTJCOTXMWNL-GOEBONIOSA-N 1 0 263.381 2.646 10 70 CFIERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000160347744 275989210 /nfs/dbraw/zinc/98/92/10/275989210.db2.gz QWTUVQCYZFPJHC-KKUMJFAQSA-N 1 0 271.445 2.967 10 70 CFIERO CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160429687 322337854 /nfs/dbraw/zinc/33/78/54/322337854.db2.gz CJDKSKUTYSGTGR-ZIAGYGMSSA-N 1 0 254.418 2.659 10 70 CFIERO CCC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+](C)C ZINC000161205075 322348584 /nfs/dbraw/zinc/34/85/84/322348584.db2.gz NYAGTPGSSKRUNU-HNNXBMFYSA-N 1 0 260.381 2.844 10 70 CFIERO CCC[C@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+](C)C ZINC000161445146 322351899 /nfs/dbraw/zinc/35/18/99/322351899.db2.gz MFUYOZLNRCWIPN-MRXNPFEDSA-N 1 0 287.407 2.557 10 70 CFIERO CCC[C@@H](C(=O)NC[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000161454594 322352099 /nfs/dbraw/zinc/35/20/99/322352099.db2.gz ANECPSXBYAACAK-WBVHZDCISA-N 1 0 288.435 2.953 10 70 CFIERO COc1c(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c(C)nn1C ZINC000218238091 521833033 /nfs/dbraw/zinc/83/30/33/521833033.db2.gz TWZKONKHZPJMSC-YPMHNXCESA-N 1 0 265.401 2.653 10 70 CFIERO CN(CC[N@H+](C)C1CCC1)Cc1ccc(F)cc1 ZINC000159826982 522810887 /nfs/dbraw/zinc/81/08/87/522810887.db2.gz ALWFLUFGLTXDRO-UHFFFAOYSA-N 1 0 250.361 2.742 10 70 CFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000161411939 523596490 /nfs/dbraw/zinc/59/64/90/523596490.db2.gz VRLCXIPDAAROMQ-OAHLLOKOSA-N 1 0 294.443 2.540 10 70 CFIERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159630556 525128968 /nfs/dbraw/zinc/12/89/68/525128968.db2.gz YNRQCVQSBDAMBF-KOLCDFICSA-N 1 0 284.762 2.798 10 70 CFIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161339469 526538341 /nfs/dbraw/zinc/53/83/41/526538341.db2.gz VAOIMIXDNOUDJJ-XKQJLSEDSA-N 1 0 290.451 2.803 10 70 CFIERO [NH3+]C1CCC(Nc2ccncc2Br)CC1 ZINC000159802988 527141905 /nfs/dbraw/zinc/14/19/05/527141905.db2.gz PRIMQJUOSCNMQM-UHFFFAOYSA-N 1 0 270.174 2.526 10 70 CFIERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217663170 539661963 /nfs/dbraw/zinc/66/19/63/539661963.db2.gz ODFOGPPGICXATK-VHDGCEQUSA-N 1 0 291.391 2.630 10 70 CFIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)nc1C ZINC000159999598 378742543 /nfs/dbraw/zinc/74/25/43/378742543.db2.gz WEDCAYLYDRQNMR-LBPRGKRZSA-N 1 0 295.814 2.600 10 70 CFIERO CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161195672 378829649 /nfs/dbraw/zinc/82/96/49/378829649.db2.gz GYEQPUYMNRHACD-VXGBXAGGSA-N 1 0 259.271 2.833 10 70 CFIERO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(OC)OC)o1 ZINC000161236147 378832931 /nfs/dbraw/zinc/83/29/31/378832931.db2.gz PDWKTTRUXKJJNX-ZDUSSCGKSA-N 1 0 267.369 2.988 10 70 CFIERO CCC[C@H](C(=O)N[C@@H](C)c1ccccc1C)[NH+](C)C ZINC000161241637 378833123 /nfs/dbraw/zinc/83/31/23/378833123.db2.gz MMDWIPSXLWZWOV-DZGCQCFKSA-N 1 0 262.397 2.903 10 70 CFIERO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000217595295 382787163 /nfs/dbraw/zinc/78/71/63/382787163.db2.gz QUGWYGWQJJCSEX-PIZKADEWSA-N 1 0 278.783 2.693 10 70 CFIERO C[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H]1C[NH3+] ZINC000160201763 278338981 /nfs/dbraw/zinc/33/89/81/278338981.db2.gz XVYFVZSRXPTWML-MMLUDYIGSA-N 1 0 290.451 2.645 10 70 CFIERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)c2ccsc2S1 ZINC000217001336 278497858 /nfs/dbraw/zinc/49/78/58/278497858.db2.gz HNOKDQHVVDLIJJ-LOWVWBTDSA-N 1 0 298.477 2.594 10 70 CFIERO CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159551159 280683716 /nfs/dbraw/zinc/68/37/16/280683716.db2.gz NKBSRYRMJCCAFA-ZIAGYGMSSA-N 1 0 290.407 2.745 10 70 CFIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC(C)(C)CC1 ZINC000160386571 322337581 /nfs/dbraw/zinc/33/75/81/322337581.db2.gz MKWPZCBTNZVOKZ-DZGCQCFKSA-N 1 0 278.440 2.898 10 70 CFIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000161414117 523596557 /nfs/dbraw/zinc/59/65/57/523596557.db2.gz FOJGINOTTMJYJF-CQSZACIVSA-N 1 0 262.401 2.668 10 70 CFIERO Cc1cnn([C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)c1 ZINC000160115688 526268168 /nfs/dbraw/zinc/26/81/68/526268168.db2.gz WVPWVKHLAOUNLV-HNNXBMFYSA-N 1 0 295.390 2.676 10 70 CFIERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000161045610 526922875 /nfs/dbraw/zinc/92/28/75/526922875.db2.gz LNCXYOGBDZPTJA-OAHLLOKOSA-N 1 0 271.364 2.833 10 70 CFIERO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160055320 348016268 /nfs/dbraw/zinc/01/62/68/348016268.db2.gz COLVPYLDJXKALS-HOTGVXAUSA-N 1 0 278.440 2.755 10 70 CFIERO CCC[C@H](C(=O)N[C@@H]1CCCc2sccc21)[NH+](C)C ZINC000159982242 378741498 /nfs/dbraw/zinc/74/14/98/378741498.db2.gz DBKPFCCIOSTALI-CHWSQXEVSA-N 1 0 280.437 2.972 10 70 CFIERO C[C@@H](C(=O)OC(C)(C)C)N(C)CCC[NH+]1CCCCC1 ZINC000161398321 533356015 /nfs/dbraw/zinc/35/60/15/533356015.db2.gz PYIXQXLKHLDSKJ-AWEZNQCLSA-N 1 0 284.444 2.524 10 70 CFIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000160518330 394366590 /nfs/dbraw/zinc/36/65/90/394366590.db2.gz DXUOHAKLIOAIHB-OAGGEKHMSA-N 1 0 296.455 2.571 10 70 CFIERO CCCC[C@H](C[NH3+])NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160209330 278734056 /nfs/dbraw/zinc/73/40/56/278734056.db2.gz CNOMOPAFTRKUQV-BAPHQMLMSA-N 1 0 278.440 2.692 10 70 CFIERO CCC[C@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+](C)C ZINC000161205159 322348558 /nfs/dbraw/zinc/34/85/58/322348558.db2.gz NYAGTPGSSKRUNU-OAHLLOKOSA-N 1 0 260.381 2.844 10 70 CFIERO