smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1nccc(=O)[n-]1)OCCO2 ZINC000081774308 192322361 /nfs/dbraw/zinc/32/23/61/192322361.db2.gz WZNREXPORFONMU-GHMZBOCLSA-N 0 1 311.407 1.548 10 0 DDAEMN O=C(CSc1ncccc1Br)N1CCNCC1 ZINC000079446491 185172150 /nfs/dbraw/zinc/17/21/50/185172150.db2.gz FGKWAMQLMREYCA-UHFFFAOYSA-N 0 1 316.224 1.368 10 0 DDAEMN CN[C@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944926 192345526 /nfs/dbraw/zinc/34/55/26/192345526.db2.gz OMZBAUSXXXAAKM-FZMZJTMJSA-N 0 1 301.408 1.405 10 0 DDAEMN O=c1[nH]c2ccc(S(=O)(=O)Nc3cncc(F)c3)cc2[nH]1 ZINC000082356166 185177651 /nfs/dbraw/zinc/17/76/51/185177651.db2.gz HYVPGYYBOSLJLG-UHFFFAOYSA-N 0 1 308.294 1.191 10 0 DDAEMN O=C1CC[C@@H](NCc2ccc(I)o2)CN1 ZINC000082515434 185189282 /nfs/dbraw/zinc/18/92/82/185189282.db2.gz UCPCLSCHJCKPBC-SSDOTTSWSA-N 0 1 320.130 1.252 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@@H](N)c1cccc2ccccc21 ZINC000081976322 192347665 /nfs/dbraw/zinc/34/76/65/192347665.db2.gz YATMHHKIHZKEPL-CQSZACIVSA-N 0 1 307.371 1.427 10 0 DDAEMN CCCN(C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O)C1CC1 ZINC000087894789 185235153 /nfs/dbraw/zinc/23/51/53/185235153.db2.gz FSBADDZEIOQYDP-UHFFFAOYSA-N 0 1 314.411 1.195 10 0 DDAEMN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000181347286 539237807 /nfs/dbraw/zinc/23/78/07/539237807.db2.gz MDSSCGJQCURKGN-ZDUSSCGKSA-N 0 1 323.412 1.769 10 0 DDAEMN CC(C)Cc1nnc(NC(=O)CN[C@H](C)[C@H]2CCCO2)s1 ZINC000183130860 539240940 /nfs/dbraw/zinc/24/09/40/539240940.db2.gz AEGJGQPFBSRVFR-GHMZBOCLSA-N 0 1 312.439 1.832 10 0 DDAEMN O=C(c1ncc(Br)s1)N1CCN2CCC[C@H]2C1 ZINC000192417931 539259524 /nfs/dbraw/zinc/25/95/24/539259524.db2.gz SFIHKQPDGYMWOP-QMMMGPOBSA-N 0 1 316.224 1.826 10 0 DDAEMN C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1C=CS(=O)(=O)C1 ZINC000088853412 185266761 /nfs/dbraw/zinc/26/67/61/185266761.db2.gz BWVHTSXIRDGPHZ-YPMHNXCESA-N 0 1 309.387 1.637 10 0 DDAEMN C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1C=CS(=O)(=O)C1 ZINC000088853417 185266860 /nfs/dbraw/zinc/26/68/60/185266860.db2.gz BWVHTSXIRDGPHZ-DGCLKSJQSA-N 0 1 309.387 1.637 10 0 DDAEMN CC[N@@H+](CC(=O)N(C(C)C)C(C)C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090475986 185298326 /nfs/dbraw/zinc/29/83/26/185298326.db2.gz ITZWTEQQFABBNR-QWHCGFSZSA-N 0 1 300.399 1.053 10 0 DDAEMN COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092388719 185315419 /nfs/dbraw/zinc/31/54/19/185315419.db2.gz OGODUDMNASTJDS-CABCVRRESA-N 0 1 313.419 1.461 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622130 185329817 /nfs/dbraw/zinc/32/98/17/185329817.db2.gz LKPQLTBDRSJGLM-NSHDSACASA-N 0 1 301.387 1.123 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000092622351 185329992 /nfs/dbraw/zinc/32/99/92/185329992.db2.gz FJJIAVKXABWQDB-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627674 185330312 /nfs/dbraw/zinc/33/03/12/185330312.db2.gz WPBARZHREPMAHH-SNVBAGLBSA-N 0 1 303.815 1.450 10 0 DDAEMN O=C(CCc1c[nH]c2ccccc12)NCc1cc2n(n1)CCNC2 ZINC000082136919 192360345 /nfs/dbraw/zinc/36/03/45/192360345.db2.gz ACOZZIUECFSMHW-UHFFFAOYSA-N 0 1 323.400 1.717 10 0 DDAEMN Cc1nn(C)c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1Br ZINC000092924820 185349411 /nfs/dbraw/zinc/34/94/11/185349411.db2.gz MBQZSPFVVOBGMQ-DTWKUNHWSA-N 0 1 316.199 1.786 10 0 DDAEMN Cc1nn(C)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1Br ZINC000092924820 185349412 /nfs/dbraw/zinc/34/94/12/185349412.db2.gz MBQZSPFVVOBGMQ-DTWKUNHWSA-N 0 1 316.199 1.786 10 0 DDAEMN CN(Cc1ccc2ccccc2n1)C[C@@H](O)CN1CCOCC1 ZINC000083245505 192369103 /nfs/dbraw/zinc/36/91/03/192369103.db2.gz FLCSXUQGMNHPQQ-QGZVFWFLSA-N 0 1 315.417 1.360 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2ccccn2)C1 ZINC000616656957 362771759 /nfs/dbraw/zinc/77/17/59/362771759.db2.gz WATSFMWLEQNAHD-CQSZACIVSA-N 0 1 306.410 1.553 10 0 DDAEMN O=C([O-])c1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(F)(F)F)cc1 ZINC000616570081 539559953 /nfs/dbraw/zinc/55/99/53/539559953.db2.gz PVKDEROQNYTGAH-MNOVXSKESA-N 0 1 316.279 1.509 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(F)cc(F)c2)n[nH]1 ZINC000080547375 192167465 /nfs/dbraw/zinc/16/74/65/192167465.db2.gz AFNWICPPNHVJBJ-UHFFFAOYSA-N 0 1 302.306 1.212 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000148110906 186042979 /nfs/dbraw/zinc/04/29/79/186042979.db2.gz CMZBOPYTEAHKAO-KCJUWKMLSA-N 0 1 301.184 1.600 10 0 DDAEMN CCOCCN1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1CC ZINC000188035484 186247479 /nfs/dbraw/zinc/24/74/79/186247479.db2.gz FHQGFQMWBMMIQC-WAVCKPEOSA-N 0 1 305.422 1.987 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)CCO2)n[nH]1 ZINC000173554500 198225789 /nfs/dbraw/zinc/22/57/89/198225789.db2.gz DWTSYOVABVAVTC-LBPRGKRZSA-N 0 1 318.381 1.427 10 0 DDAEMN CC(C)OC(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173674556 198239346 /nfs/dbraw/zinc/23/93/46/198239346.db2.gz ILIUFBVKLSVTOW-KRWDZBQOSA-N 0 1 320.433 1.679 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000173885466 198265005 /nfs/dbraw/zinc/26/50/05/198265005.db2.gz LJOJOKQYCKKWCP-RISCZKNCSA-N 0 1 300.399 1.833 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000173981952 198275817 /nfs/dbraw/zinc/27/58/17/198275817.db2.gz WBHMTGDCADCMOL-SMDDNHRTSA-N 0 1 324.808 1.838 10 0 DDAEMN O=C1CCc2c1c(=O)oc1c3c(cc(O)c21)O[C@H]1OCC[C@H]31 ZINC000097973717 353920989 /nfs/dbraw/zinc/92/09/89/353920989.db2.gz XJKCZCKWXTXPRZ-VGDKGRGNSA-N 0 1 300.266 1.850 10 0 DDAEMN CC(=O)Nc1[nH]nc(C(F)(F)F)c1I ZINC000142762470 354145816 /nfs/dbraw/zinc/14/58/16/354145816.db2.gz XIVIKTFHMZYVEK-UHFFFAOYSA-N 0 1 319.024 1.992 10 0 DDAEMN O=[N+]([O-])N=c1nc(-c2ccccn2)cc(N[C@@H]2CCC[NH2+]C2)[n-]1 ZINC000073685374 191341092 /nfs/dbraw/zinc/34/10/92/191341092.db2.gz JHJUHJXGJUPORE-SNVBAGLBSA-N 0 1 315.337 1.306 10 0 DDAEMN CCOC(=O)C[C@@]1(N2CCCCCC2)CCCS(=O)(=O)C1 ZINC000080685229 192182496 /nfs/dbraw/zinc/18/24/96/192182496.db2.gz MVVIMXHUJIAJOM-HNNXBMFYSA-N 0 1 317.451 1.763 10 0 DDAEMN Cn1cc(CN2CCC[C@H](n3cncn3)C2)c(-c2ccncc2)n1 ZINC000179470115 199041664 /nfs/dbraw/zinc/04/16/64/199041664.db2.gz YHOMNVGHWGLWLP-INIZCTEOSA-N 0 1 323.404 1.911 10 0 DDAEMN O=C([O-])[C@H]1CCCN(c2nc(N3CCSCC3)cc[nH+]2)C1 ZINC000045948279 295988439 /nfs/dbraw/zinc/98/84/39/295988439.db2.gz UWZNTZIWSZTIFR-NSHDSACASA-N 0 1 308.407 1.331 10 0 DDAEMN C[C@H]1[C@@H](NC(=O)c2cnn[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000188335474 200230179 /nfs/dbraw/zinc/23/01/79/200230179.db2.gz PCSMVQUXBFCUMX-UWVGGRQHSA-N 0 1 309.370 1.323 10 0 DDAEMN CCn1ncnc1CN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000193354313 201037349 /nfs/dbraw/zinc/03/73/49/201037349.db2.gz GQRPDLZXNQGWDA-CQSZACIVSA-N 0 1 300.410 1.935 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092261123 193182276 /nfs/dbraw/zinc/18/22/76/193182276.db2.gz BCDUNGFLPBQDJN-JSGCOSHPSA-N 0 1 321.515 1.996 10 0 DDAEMN C[NH2+]CCc1nc([O-])c(-c2ccccc2Br)c(=O)[nH]1 ZINC000093177061 193211598 /nfs/dbraw/zinc/21/15/98/193211598.db2.gz SRRHYRANTPZJLK-UHFFFAOYSA-N 0 1 324.178 1.667 10 0 DDAEMN CN[C@@H](C(=O)N(C)CCc1ccc(F)cc1)c1cnn(C)c1 ZINC000262498585 203309853 /nfs/dbraw/zinc/30/98/53/203309853.db2.gz ILFCTIFELGJKFF-OAHLLOKOSA-N 0 1 304.369 1.521 10 0 DDAEMN O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)[N-]OCc1ccccc1 ZINC000093193743 193213801 /nfs/dbraw/zinc/21/38/01/193213801.db2.gz ZLCGLYOEEZTQNG-MRXNPFEDSA-N 0 1 303.406 1.405 10 0 DDAEMN Cc1nnc(SCC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(N)=O)[n-]1 ZINC000093630026 193275984 /nfs/dbraw/zinc/27/59/84/193275984.db2.gz JLNVCFONNBJRTF-HZMBPMFUSA-N 0 1 309.439 1.372 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@H](n2cc(Br)cn2)C1 ZINC000093833160 193314393 /nfs/dbraw/zinc/31/43/93/193314393.db2.gz BJQIFCZGXKGJMN-GXSJLCMTSA-N 0 1 302.172 1.631 10 0 DDAEMN Nc1cc(Br)ccc1C(=O)NCCc1cnc[nH]1 ZINC000094046580 193341571 /nfs/dbraw/zinc/34/15/71/193341571.db2.gz SDBSLIKSDVOUFE-UHFFFAOYSA-N 0 1 309.167 1.727 10 0 DDAEMN CNCc1cc(S(=O)(=O)NC[C@@]2(C)CCCO2)c(C)o1 ZINC000094815135 193399931 /nfs/dbraw/zinc/39/99/31/193399931.db2.gz VHAMHVKKKAALOA-CYBMUJFWSA-N 0 1 302.396 1.155 10 0 DDAEMN O=C(N[C@H]1CCc2ncnn2C1)c1[nH]nc2c1CCCCC2 ZINC000191604963 284241619 /nfs/dbraw/zinc/24/16/19/284241619.db2.gz PIRYCWAIVBCDMW-JTQLQIEISA-N 0 1 300.366 1.015 10 0 DDAEMN CN[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1csc(C)n1 ZINC000097309205 193706514 /nfs/dbraw/zinc/70/65/14/193706514.db2.gz JJLDUWMJMVZWKO-RYUDHWBXSA-N 0 1 317.480 1.774 10 0 DDAEMN CC(C)NS(=O)(=O)c1ccccc1N[C@@H]1CCCN(C)C1 ZINC000040673421 183115928 /nfs/dbraw/zinc/11/59/28/183115928.db2.gz ICBXDUKFWUXBSQ-CYBMUJFWSA-N 0 1 311.451 1.879 10 0 DDAEMN CC[C@H](C)[C@@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682518 183216974 /nfs/dbraw/zinc/21/69/74/183216974.db2.gz WFXQFGYORRENGA-QWHCGFSZSA-N 0 1 301.431 1.905 10 0 DDAEMN CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccc(N)cc2[nH]1 ZINC000042142352 183234792 /nfs/dbraw/zinc/23/47/92/183234792.db2.gz ZWQFBXJPNICTQI-SSDOTTSWSA-N 0 1 307.379 1.471 10 0 DDAEMN CO[C@@H]1C[C@@H](CO)N(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000284693005 218135820 /nfs/dbraw/zinc/13/58/20/218135820.db2.gz ZCLHBKMTCXABAJ-DLBZAZTESA-N 0 1 319.380 1.652 10 0 DDAEMN Cc1cnc(C)c(N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000273919036 211172425 /nfs/dbraw/zinc/17/24/25/211172425.db2.gz ZGDMTUIEIJSLIX-UHFFFAOYSA-N 0 1 300.410 1.539 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccco3)CC2)C1 ZINC000105817862 194135895 /nfs/dbraw/zinc/13/58/95/194135895.db2.gz MBIVOFQHDDHZAV-HNNXBMFYSA-N 0 1 321.421 1.147 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901069 194165223 /nfs/dbraw/zinc/16/52/23/194165223.db2.gz ADTHVBYPHNCHPN-HOTGVXAUSA-N 0 1 322.453 1.760 10 0 DDAEMN Nc1nc2cc(Br)ccc2n1[C@H]1CCCNC1=O ZINC000050396833 183785039 /nfs/dbraw/zinc/78/50/39/183785039.db2.gz WNBDMIMFHUQFOK-JTQLQIEISA-N 0 1 309.167 1.832 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000109457729 194265101 /nfs/dbraw/zinc/26/51/01/194265101.db2.gz RBKPXGOZIGCRCV-LLVKDONJSA-N 0 1 309.410 1.187 10 0 DDAEMN CCCCNC(=O)N1CCN([C@H](CCC)C(N)=S)CC1 ZINC000109466618 194266612 /nfs/dbraw/zinc/26/66/12/194266612.db2.gz DDBVHYONPJFSCO-GFCCVEGCSA-N 0 1 300.472 1.569 10 0 DDAEMN C[C@H](c1ccc(Cl)cc1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000062014416 184201063 /nfs/dbraw/zinc/20/10/63/184201063.db2.gz SBUBWTZXSAGOFU-JIMOISOXSA-N 0 1 302.827 1.457 10 0 DDAEMN O=S(=O)(C[C@H]1CCCO1)Nc1cccc(Br)n1 ZINC000063156080 184274550 /nfs/dbraw/zinc/27/45/50/184274550.db2.gz KNOYLEAJVQFSDC-MRVPVSSYSA-N 0 1 321.196 1.765 10 0 DDAEMN Cc1ccc(CN2C[C@@H]3OC[C@@H](CNc4ncccn4)[C@@H]3C2)o1 ZINC000248104737 257109283 /nfs/dbraw/zinc/10/92/83/257109283.db2.gz OWJVTLCDFANNRS-KBMXLJTQSA-N 0 1 314.389 1.937 10 0 DDAEMN Cn1cc(CN2CC[C@@H]3[C@H]2CCN3c2ncc(F)cn2)cn1 ZINC000503719149 257208776 /nfs/dbraw/zinc/20/87/76/257208776.db2.gz ZLUWAPWLZMYIAH-ZIAGYGMSSA-N 0 1 302.357 1.202 10 0 DDAEMN O=C(N[C@H]1CCCn2ncnc21)c1ccc(-c2nnc[nH]2)cc1 ZINC000186050034 407565576 /nfs/dbraw/zinc/56/55/76/407565576.db2.gz XEQFKVLJBNCJAU-LBPRGKRZSA-N 0 1 309.333 1.328 10 0 DDAEMN Cc1ccc(OCCCCS(=O)(=O)c2n[nH]c(N)n2)cc1 ZINC000008015894 406775297 /nfs/dbraw/zinc/77/52/97/406775297.db2.gz GYEIKLMPSFKHSP-UHFFFAOYSA-N 0 1 310.379 1.328 10 0 DDAEMN Cc1oc(C2CCC2)nc1C(=O)NCCN1CCN(C)CC1 ZINC000075877579 406944793 /nfs/dbraw/zinc/94/47/93/406944793.db2.gz IAXDUUMASRJACQ-UHFFFAOYSA-N 0 1 306.410 1.228 10 0 DDAEMN COCCCNC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107582 406955518 /nfs/dbraw/zinc/95/55/18/406955518.db2.gz ZHGQZLIDIJYRNJ-SJORKVTESA-N 0 1 320.433 1.727 10 0 DDAEMN CCc1nnc([C@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)[nH]1 ZINC000123957911 407343490 /nfs/dbraw/zinc/34/34/90/407343490.db2.gz WOIZUZCBZJHGIO-GFCCVEGCSA-N 0 1 320.324 1.426 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)n[nH]1 ZINC000123957911 407343491 /nfs/dbraw/zinc/34/34/91/407343491.db2.gz WOIZUZCBZJHGIO-GFCCVEGCSA-N 0 1 320.324 1.426 10 0 DDAEMN Cc1nnc([C@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)[nH]1 ZINC000123957462 407343832 /nfs/dbraw/zinc/34/38/32/407343832.db2.gz RVNMKRAPXZLGGS-GFCCVEGCSA-N 0 1 306.297 1.172 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)n[nH]1 ZINC000123957462 407343833 /nfs/dbraw/zinc/34/38/33/407343833.db2.gz RVNMKRAPXZLGGS-GFCCVEGCSA-N 0 1 306.297 1.172 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(F)cc1O)CC2 ZINC000124103971 407348531 /nfs/dbraw/zinc/34/85/31/407348531.db2.gz AOCBFFKFWPCTQB-LLVKDONJSA-N 0 1 318.352 1.991 10 0 DDAEMN CN(c1ncnc2[nH]cnc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000108946604 407393310 /nfs/dbraw/zinc/39/33/10/407393310.db2.gz NBTCMIGNPJSGMU-NSHDSACASA-N 0 1 310.365 1.248 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000178500672 407472326 /nfs/dbraw/zinc/47/23/26/407472326.db2.gz QJSKXMPECDDFLP-RDJZCZTQSA-N 0 1 323.481 1.286 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCN(c2ccccc2)CC1 ZINC000170241142 407440629 /nfs/dbraw/zinc/44/06/29/407440629.db2.gz WLSLNHRWYVASMJ-CYBMUJFWSA-N 0 1 311.389 1.258 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCN(c2ccccc2)CC1 ZINC000170241142 407440633 /nfs/dbraw/zinc/44/06/33/407440633.db2.gz WLSLNHRWYVASMJ-CYBMUJFWSA-N 0 1 311.389 1.258 10 0 DDAEMN COc1c(C)cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000170873594 407540411 /nfs/dbraw/zinc/54/04/11/407540411.db2.gz RTXDKLXCTYYDGQ-ZDUSSCGKSA-N 0 1 312.435 1.637 10 0 DDAEMN CCC[C@@H](C(=O)OCC)N1CCN(CCOCC)[C@H](C)C1 ZINC000114802851 407617287 /nfs/dbraw/zinc/61/72/87/407617287.db2.gz GBTJTJCEIWUZDT-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN CC(C)[C@H]1OC(NS(=O)(=O)c2ccc(Cl)cc2)=NC1=O ZINC000227173860 407629193 /nfs/dbraw/zinc/62/91/93/407629193.db2.gz DDLYBCSWHZRZHA-SNVBAGLBSA-N 0 1 316.766 1.556 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccnc2)CCN1C[C@@H](C)O ZINC000171565150 407704227 /nfs/dbraw/zinc/70/42/27/407704227.db2.gz NHXZRCIXYUJRCR-UKRRQHHQSA-N 0 1 306.410 1.068 10 0 DDAEMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN2C)c1 ZINC000271506189 407711431 /nfs/dbraw/zinc/71/14/31/407711431.db2.gz IETLZBKUOLBPMA-GFCCVEGCSA-N 0 1 312.391 1.219 10 0 DDAEMN C[C@H](CN1CCCC1=O)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000171611824 407720801 /nfs/dbraw/zinc/72/08/01/407720801.db2.gz GZLKEZNQDSTZOQ-ZBFHGGJFSA-N 0 1 317.433 1.286 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)NCc2n[nH]c(COc3ccccc3)n2)O1 ZINC000186676554 407742276 /nfs/dbraw/zinc/74/22/76/407742276.db2.gz IOKQEVAYZAOMHR-WCQYABFASA-N 0 1 316.361 1.567 10 0 DDAEMN COC[C@@H](N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000262193921 407764061 /nfs/dbraw/zinc/76/40/61/407764061.db2.gz MJYOXDXDXBHEQR-SECBINFHSA-N 0 1 320.176 1.022 10 0 DDAEMN COCCOc1ccc(NC(=O)[C@H](N)COC)cc1Cl ZINC000262193980 407764426 /nfs/dbraw/zinc/76/44/26/407764426.db2.gz CMNBTWHSAHVIBF-LLVKDONJSA-N 0 1 302.758 1.277 10 0 DDAEMN CCOCCN1CCN(C(=O)CCOC(C)C)C[C@@H]1CC ZINC000116770778 407771484 /nfs/dbraw/zinc/77/14/84/407771484.db2.gz BFOWBXMKLAUZTH-HNNXBMFYSA-N 0 1 300.443 1.761 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2cccc(OC)c2)CCCC1 ZINC000262226601 407768367 /nfs/dbraw/zinc/76/83/67/407768367.db2.gz GGSSJDPCDIYLJY-OAHLLOKOSA-N 0 1 306.406 1.597 10 0 DDAEMN COC[C@H](N)C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000262298364 407788041 /nfs/dbraw/zinc/78/80/41/407788041.db2.gz NQAYCWWETPUQRN-AWEZNQCLSA-N 0 1 319.430 1.518 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000262292999 407788237 /nfs/dbraw/zinc/78/82/37/407788237.db2.gz NCECOUUEXLNAPN-OAHLLOKOSA-N 0 1 301.346 1.573 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000262342409 407806593 /nfs/dbraw/zinc/80/65/93/407806593.db2.gz SXMCTWGFIHCZDG-BBRMVZONSA-N 0 1 316.405 1.640 10 0 DDAEMN CCOCCNC(=O)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000117029817 407807423 /nfs/dbraw/zinc/80/74/23/407807423.db2.gz IVXIXBQKTKASII-AWEZNQCLSA-N 0 1 301.431 1.165 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000262352615 407809250 /nfs/dbraw/zinc/80/92/50/407809250.db2.gz UQUPEQRPENEIKM-CYBMUJFWSA-N 0 1 307.394 1.953 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC000262359729 407811182 /nfs/dbraw/zinc/81/11/82/407811182.db2.gz VKSFISTXWKFXRH-LLVKDONJSA-N 0 1 320.311 1.526 10 0 DDAEMN CCOc1cc(CNC(=O)[C@H](N)COC)ccc1OC(F)F ZINC000262369792 407813742 /nfs/dbraw/zinc/81/37/42/407813742.db2.gz WPRSWWOFMFTYBA-SNVBAGLBSA-N 0 1 318.320 1.277 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000262374495 407816017 /nfs/dbraw/zinc/81/60/17/407816017.db2.gz WZVHDDMDTIDCFK-HZMBPMFUSA-N 0 1 320.393 1.121 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000262384445 407820518 /nfs/dbraw/zinc/82/05/18/407820518.db2.gz YHDAJFZFNJBARF-MRXNPFEDSA-N 0 1 306.406 1.988 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262549003 407861985 /nfs/dbraw/zinc/86/19/85/407861985.db2.gz UMISDXJNNGICIT-KGLIPLIRSA-N 0 1 313.442 1.018 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457716 407880215 /nfs/dbraw/zinc/88/02/15/407880215.db2.gz TTWKNWXKZKZUFW-CVEARBPZSA-N 0 1 306.406 1.289 10 0 DDAEMN C[C@@H]1CC[C@H](CC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000262675796 407898445 /nfs/dbraw/zinc/89/84/45/407898445.db2.gz AIRULIMRHDMKPJ-HZSPNIEDSA-N 0 1 312.410 1.057 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccs2)C1 ZINC000262881688 407961279 /nfs/dbraw/zinc/96/12/79/407961279.db2.gz BAYPJYZIWNBNIX-UHFFFAOYSA-N 0 1 311.407 1.485 10 0 DDAEMN CC[C@@H](C)CS(=O)(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262896966 407963330 /nfs/dbraw/zinc/96/33/30/407963330.db2.gz AYDOYNLPOBNYAK-OLZOCXBDSA-N 0 1 320.455 1.233 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CCN1C[C@H](C)O ZINC000245702001 408044668 /nfs/dbraw/zinc/04/46/68/408044668.db2.gz LXFYROKOKYXDKL-GMOCUTOCSA-N 0 1 319.405 1.104 10 0 DDAEMN COC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000183196711 408350525 /nfs/dbraw/zinc/35/05/25/408350525.db2.gz NTEXDNGEGUBCTA-DOMZBBRYSA-N 0 1 300.349 1.573 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)[C@@H]3CCCO3)CCO2)n[nH]1 ZINC000136968551 162123912 /nfs/dbraw/zinc/12/39/12/162123912.db2.gz WLQGXUYRYLZFHC-WOPDTQHZSA-N 0 1 323.397 1.018 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000173353006 162333945 /nfs/dbraw/zinc/33/39/45/162333945.db2.gz XZUXDJWJCUCOCK-SMDDNHRTSA-N 0 1 315.377 1.514 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3cccc(C)c3)CCO2)n[nH]1 ZINC000173531172 162345956 /nfs/dbraw/zinc/34/59/56/162345956.db2.gz RNXKLMHDHMSHQX-AWEZNQCLSA-N 0 1 300.362 1.564 10 0 DDAEMN CSc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)o1 ZINC000173539371 162347918 /nfs/dbraw/zinc/34/79/18/162347918.db2.gz SIVWFZGQRUGVSH-JTQLQIEISA-N 0 1 308.363 1.642 10 0 DDAEMN COc1ccc(OCCN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173673910 162356580 /nfs/dbraw/zinc/35/65/80/162356580.db2.gz KKZQUHLIRBPIHG-OAHLLOKOSA-N 0 1 318.377 1.574 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(C)(CO)CC1 ZINC000183620115 408456984 /nfs/dbraw/zinc/45/69/84/408456984.db2.gz FAUUDCDDPDRSEN-MRXNPFEDSA-N 0 1 304.434 1.780 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000247134319 408416318 /nfs/dbraw/zinc/41/63/18/408416318.db2.gz KNZYLAFHURKLAL-QXSJWSMHSA-N 0 1 311.470 1.163 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247572795 408494163 /nfs/dbraw/zinc/49/41/63/408494163.db2.gz WZDLEISTDHPEKR-UONOGXRCSA-N 0 1 308.426 1.141 10 0 DDAEMN CCN1CCC[C@H]1CN(C)C(=O)CCS(=O)(=O)CC(C)C ZINC000177011640 408494632 /nfs/dbraw/zinc/49/46/32/408494632.db2.gz BVKAWKFLNJEQOD-AWEZNQCLSA-N 0 1 318.483 1.390 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000247400443 408463943 /nfs/dbraw/zinc/46/39/43/408463943.db2.gz PIXVFFKASPXCCF-JQWIXIFHSA-N 0 1 316.373 1.822 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000248366394 408550246 /nfs/dbraw/zinc/55/02/46/408550246.db2.gz SARFMBKIXRKICD-SFHVURJKSA-N 0 1 313.445 1.741 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)CCc1nc[nH]n1 ZINC000177237813 408559502 /nfs/dbraw/zinc/55/95/02/408559502.db2.gz MSCKIRLUOITEJE-LLVKDONJSA-N 0 1 323.397 1.253 10 0 DDAEMN Cc1ccc(C(=O)CCN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000248539499 408584598 /nfs/dbraw/zinc/58/45/98/408584598.db2.gz AUDYHIDBVYNRBW-HOTGVXAUSA-N 0 1 304.434 1.955 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(C)cn3)CCO2)n[nH]1 ZINC000184291004 408585999 /nfs/dbraw/zinc/58/59/99/408585999.db2.gz URRJPZPWBOTSRJ-LLVKDONJSA-N 0 1 302.338 1.422 10 0 DDAEMN CCC[C@H](C(=O)N[C@H]1CCN(c2ccccc2)C1=O)N(C)C ZINC000162083510 408668115 /nfs/dbraw/zinc/66/81/15/408668115.db2.gz IXUXLZLSOFKYDF-LSDHHAIUSA-N 0 1 303.406 1.638 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cnc(C(C)C)s3)CCO2)n[nH]1 ZINC000162117234 408670814 /nfs/dbraw/zinc/67/08/14/408670814.db2.gz QCLZCKDOMQAMIF-SNVBAGLBSA-N 0 1 321.406 1.907 10 0 DDAEMN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCCCC1 ZINC000249604933 408748826 /nfs/dbraw/zinc/74/88/26/408748826.db2.gz ZJSAISYIKHNKJW-GJZGRUSLSA-N 0 1 308.447 1.768 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@@H](C)C(C)C)CCO2)n[nH]1 ZINC000178150913 408780294 /nfs/dbraw/zinc/78/02/94/408780294.db2.gz YTNKOBMUAVMJJH-NEPJUHHUSA-N 0 1 309.414 1.742 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188091184 163039856 /nfs/dbraw/zinc/03/98/56/163039856.db2.gz FADRUSOMDRPIJB-CFVMTHIKSA-N 0 1 310.463 1.917 10 0 DDAEMN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000190087139 163128952 /nfs/dbraw/zinc/12/89/52/163128952.db2.gz QYFOXFNKVHQZRJ-GXTWGEPZSA-N 0 1 319.380 1.768 10 0 DDAEMN CCCC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000195049085 163304474 /nfs/dbraw/zinc/30/44/74/163304474.db2.gz MVSHCMRBKOIYIW-HZPDHXFCSA-N 0 1 321.465 1.722 10 0 DDAEMN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195049085 163304478 /nfs/dbraw/zinc/30/44/78/163304478.db2.gz MVSHCMRBKOIYIW-HZPDHXFCSA-N 0 1 321.465 1.722 10 0 DDAEMN CCCCOC[C@@H](O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000195143167 163309042 /nfs/dbraw/zinc/30/90/42/163309042.db2.gz XBJBPXHABICNJE-ZDUSSCGKSA-N 0 1 312.376 1.734 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCCN(CC(F)(F)F)CC1 ZINC000195143167 163309045 /nfs/dbraw/zinc/30/90/45/163309045.db2.gz XBJBPXHABICNJE-ZDUSSCGKSA-N 0 1 312.376 1.734 10 0 DDAEMN COC(=O)c1sc(N2C[C@@H]3[C@H](C2)OCCN3C)nc1Cl ZINC000301678165 410770620 /nfs/dbraw/zinc/77/06/20/410770620.db2.gz UARLMVHNJMZRPZ-SFYZADRCSA-N 0 1 317.798 1.102 10 0 DDAEMN C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc2c(c1)OCCO2 ZINC000176817085 221836254 /nfs/dbraw/zinc/83/62/54/221836254.db2.gz KNFKQVQXCSHMBA-SNVBAGLBSA-N 0 1 302.334 1.386 10 0 DDAEMN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000360702166 418495165 /nfs/dbraw/zinc/49/51/65/418495165.db2.gz ZOMJIQLVFLGIPO-BPUTZDHNSA-N 0 1 309.454 1.622 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)CCO2)n[nH]1 ZINC000367074017 418557481 /nfs/dbraw/zinc/55/74/81/418557481.db2.gz VYVFCYQEWLDXOY-MNOVXSKESA-N 0 1 314.336 1.839 10 0 DDAEMN C[C@](O)(CNC(=O)[C@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000367393366 418595213 /nfs/dbraw/zinc/59/52/13/418595213.db2.gz BEMIESPNQAQJNX-ZBEGNZNMSA-N 0 1 306.410 1.357 10 0 DDAEMN C[C@](O)(CNC(=O)[C@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000367393366 418595216 /nfs/dbraw/zinc/59/52/16/418595216.db2.gz BEMIESPNQAQJNX-ZBEGNZNMSA-N 0 1 306.410 1.357 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C(C)C)CCO2)n[nH]1 ZINC000365498508 418867938 /nfs/dbraw/zinc/86/79/38/418867938.db2.gz OYECRRPYYICEDS-AGIUHOORSA-N 0 1 308.382 1.074 10 0 DDAEMN Cc1cnn(CCN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583617931 422201930 /nfs/dbraw/zinc/20/19/30/422201930.db2.gz KUAGVWBUEGGWGV-MRXNPFEDSA-N 0 1 318.425 1.348 10 0 DDAEMN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617661 422203329 /nfs/dbraw/zinc/20/33/29/422203329.db2.gz AYRKODRGNATWPH-INIZCTEOSA-N 0 1 311.345 1.410 10 0 DDAEMN CC1CCC(=CC(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)CC1 ZINC000583621356 422207793 /nfs/dbraw/zinc/20/77/93/422207793.db2.gz VXOKGNQYDYXAMI-INSVYWFGSA-N 0 1 304.394 1.751 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCC2)[N@@H+]1Cc1ccccc1 ZINC000630647812 422241048 /nfs/dbraw/zinc/24/10/48/422241048.db2.gz CMKMGPWSFVIYLI-CABCVRRESA-N 0 1 302.374 1.773 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCC2)[N@H+]1Cc1ccccc1 ZINC000630647812 422241052 /nfs/dbraw/zinc/24/10/52/422241052.db2.gz CMKMGPWSFVIYLI-CABCVRRESA-N 0 1 302.374 1.773 10 0 DDAEMN Cc1cc(C)cc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000105933123 281051641 /nfs/dbraw/zinc/05/16/41/281051641.db2.gz PWZCWYUWDASMEG-HOCLYGCPSA-N 0 1 305.422 1.551 10 0 DDAEMN CC[C@H]1CN(Cc2nc(CC(C)C)no2)CCN1C[C@H](C)O ZINC000247104898 281171700 /nfs/dbraw/zinc/17/17/00/281171700.db2.gz IMQZCFFTNBIGPM-KBPBESRZSA-N 0 1 310.442 1.545 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)CCN1C[C@H](C)O ZINC000246676461 282006165 /nfs/dbraw/zinc/00/61/65/282006165.db2.gz APMPQAIUQAKNPL-ARFHVFGLSA-N 0 1 314.470 1.741 10 0 DDAEMN CC[C@H]1CN(Cc2c(C)nn(C)c2Cl)CCN1CCOC ZINC000105914439 696625393 /nfs/dbraw/zinc/62/53/93/696625393.db2.gz OYNZQWMSNCDWBS-ZDUSSCGKSA-N 0 1 314.861 1.925 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C[C@@H]3CCCOC3)CCO2)n[nH]1 ZINC000193383567 697663275 /nfs/dbraw/zinc/66/32/75/697663275.db2.gz QXZJNHFSSNDEAC-NWDGAFQWSA-N 0 1 308.382 1.084 10 0 DDAEMN CCOC(=O)C[C@@H](NC(=O)[C@H](N)COC)c1ccccc1C ZINC000262220411 698459779 /nfs/dbraw/zinc/45/97/79/698459779.db2.gz FRPCNLRYWGFEDW-ZIAGYGMSSA-N 0 1 308.378 1.079 10 0 DDAEMN C[C@]1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1(F)F ZINC000263150834 698493378 /nfs/dbraw/zinc/49/33/78/698493378.db2.gz HNBOVJQXDPGCPL-QIMFLAQGSA-N 0 1 316.348 1.476 10 0 DDAEMN CC[C@@H]1CCC[C@H]1NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263300373 698499402 /nfs/dbraw/zinc/49/94/02/698499402.db2.gz WTCVMNWVAMJHES-BLYZHGLHSA-N 0 1 311.426 1.802 10 0 DDAEMN O=C(c1ccoc1Br)N1CCC[C@H]1c1nn[nH]n1 ZINC000720635914 699306695 /nfs/dbraw/zinc/30/66/95/699306695.db2.gz FMWQEBNGIQHYCV-ZETCQYMHSA-N 0 1 312.127 1.533 10 0 DDAEMN Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720633248 699306663 /nfs/dbraw/zinc/30/66/63/699306663.db2.gz FDPIUJVBNVLUMA-SSDOTTSWSA-N 0 1 315.164 1.822 10 0 DDAEMN CN(C)[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@@H]1n1ccnn1 ZINC000862938449 705831307 /nfs/dbraw/zinc/83/13/07/705831307.db2.gz RQKHFKAKHGQZFA-KGLIPLIRSA-N 0 1 315.377 1.376 10 0 DDAEMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826794132 705873201 /nfs/dbraw/zinc/87/32/01/705873201.db2.gz NMGFXYKGCWLMGR-LSDHHAIUSA-N 0 1 305.426 1.223 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 ZINC000886097076 708697661 /nfs/dbraw/zinc/69/76/61/708697661.db2.gz MCNCGHLUNXBAHH-CQSZACIVSA-N 0 1 312.377 1.497 10 0 DDAEMN CC(C)c1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNc3ncc(F)cn3)C2)n1 ZINC000888097906 709213073 /nfs/dbraw/zinc/21/30/73/709213073.db2.gz SOFJFKBKUUIBSP-HOSYDEDBSA-N 0 1 320.372 1.824 10 0 DDAEMN CC(C)c1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ncc(F)cn3)C2)n[nH]1 ZINC000888097906 709213074 /nfs/dbraw/zinc/21/30/74/709213074.db2.gz SOFJFKBKUUIBSP-HOSYDEDBSA-N 0 1 320.372 1.824 10 0 DDAEMN COC(=O)c1cc(CN2CCCC[C@@H]2c2nnc[nH]2)cn1C ZINC000895197419 711450673 /nfs/dbraw/zinc/45/06/73/711450673.db2.gz IQMLWEOUHQYKHG-GFCCVEGCSA-N 0 1 303.366 1.657 10 0 DDAEMN O=C(N[C@@H]1CCOc2ccccc21)C1CN([C@H]2CCOC2)C1 ZINC000895484007 711524206 /nfs/dbraw/zinc/52/42/06/711524206.db2.gz WEKWHAQIWKXSPJ-DZGCQCFKSA-N 0 1 302.374 1.347 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC2CCSCC2)CCN1C[C@H](C)O ZINC000248460226 282085653 /nfs/dbraw/zinc/08/56/53/282085653.db2.gz SGJSODBFWDEPGV-GXTWGEPZSA-N 0 1 315.483 1.369 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(C(C)C)CC2)CCN1C[C@H](C)O ZINC000248496022 282087536 /nfs/dbraw/zinc/08/75/36/282087536.db2.gz QPVHPOOYNYCEDM-GJZGRUSLSA-N 0 1 311.470 1.909 10 0 DDAEMN COC(=O)C[C@@H](N[C@@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900052 192334973 /nfs/dbraw/zinc/33/49/73/192334973.db2.gz OJWWSFIIYKIYFF-VHSXEESVSA-N 0 1 305.421 1.375 10 0 DDAEMN CCC[C@H]1CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000079340472 185165770 /nfs/dbraw/zinc/16/57/70/185165770.db2.gz ORGFFVQWXCWXCP-QWHCGFSZSA-N 0 1 304.456 1.177 10 0 DDAEMN Nc1ncccc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000088071032 185239009 /nfs/dbraw/zinc/23/90/09/185239009.db2.gz VINQKCBEOVSNSQ-UHFFFAOYSA-N 0 1 301.331 1.408 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000081977070 192348569 /nfs/dbraw/zinc/34/85/69/192348569.db2.gz HGOZYDLJIQPABN-HUUCEWRRSA-N 0 1 313.419 1.689 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cncc(C)c2)CC1 ZINC000088449303 185251393 /nfs/dbraw/zinc/25/13/93/185251393.db2.gz YBNRBVWQRCZLLK-ZDUSSCGKSA-N 0 1 306.435 1.213 10 0 DDAEMN COC[C@@H]1CN(C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000251869424 282205808 /nfs/dbraw/zinc/20/58/08/282205808.db2.gz OXKMWAGHRGQOGQ-XIRDDKMYSA-N 0 1 309.406 1.300 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1ncccc1C(F)(F)F ZINC000088673277 185262281 /nfs/dbraw/zinc/26/22/81/185262281.db2.gz HEWHXGWKUHXAMY-JTQLQIEISA-N 0 1 303.284 1.442 10 0 DDAEMN Cc1c(CO)cccc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000088876122 185267853 /nfs/dbraw/zinc/26/78/53/185267853.db2.gz SDUTXFPPVHNCTN-UHFFFAOYSA-N 0 1 312.435 1.202 10 0 DDAEMN CCC(CC)CN(CC)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088887179 185269384 /nfs/dbraw/zinc/26/93/84/185269384.db2.gz PRWICTHBNOBHFH-UHFFFAOYSA-N 0 1 303.428 1.657 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccsc1CO ZINC000092678331 185333451 /nfs/dbraw/zinc/33/34/51/185333451.db2.gz AIFTXTOFTDQVBW-LLVKDONJSA-N 0 1 318.464 1.345 10 0 DDAEMN O=C(Nc1nc2c(s1)CCCC2)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092781755 185340260 /nfs/dbraw/zinc/34/02/60/185340260.db2.gz RUAMMNUBQJVDPK-JTQLQIEISA-N 0 1 303.391 1.398 10 0 DDAEMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000092940880 185350223 /nfs/dbraw/zinc/35/02/23/185350223.db2.gz QQLBMSZDXUCKFT-GXSJLCMTSA-N 0 1 311.407 1.069 10 0 DDAEMN CN1CCN(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119432 185552550 /nfs/dbraw/zinc/55/25/50/185552550.db2.gz MUYBFCHRQXFKKQ-KBPBESRZSA-N 0 1 323.387 1.432 10 0 DDAEMN COc1ccc(CN[C@@H]2CCOC[C@@H]2O)c(Br)c1 ZINC000623766627 366046422 /nfs/dbraw/zinc/04/64/22/366046422.db2.gz JKTGDJDJZACDNP-OLZOCXBDSA-N 0 1 316.195 1.697 10 0 DDAEMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000172803815 198151999 /nfs/dbraw/zinc/15/19/99/198151999.db2.gz QBWNRUQGYKZQJS-IAGOWNOFSA-N 0 1 301.434 1.986 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000174095148 198291331 /nfs/dbraw/zinc/29/13/31/198291331.db2.gz LXLIAHOHFCJQIO-AWEZNQCLSA-N 0 1 305.378 1.823 10 0 DDAEMN O=C(CCN1C[C@@H](F)C[C@H]1CO)N1CCc2ccccc2C1 ZINC000346382250 283079736 /nfs/dbraw/zinc/07/97/36/283079736.db2.gz VPFXHWXOFOGTNX-HOTGVXAUSA-N 0 1 306.381 1.366 10 0 DDAEMN Cc1cncc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000074834499 191368972 /nfs/dbraw/zinc/36/89/72/191368972.db2.gz JYKMSMSREDHBEY-UHFFFAOYSA-N 0 1 317.370 1.710 10 0 DDAEMN CCN[C@H](C)c1csc(N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000080805031 192192911 /nfs/dbraw/zinc/19/29/11/192192911.db2.gz IQVFFCWJMJNNDW-NXEZZACHSA-N 0 1 303.453 1.437 10 0 DDAEMN O=C([O-])CC1C[NH+](CC(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000081743829 192318527 /nfs/dbraw/zinc/31/85/27/192318527.db2.gz FGQZSFWAWGAFRX-GFCCVEGCSA-N 0 1 308.403 1.818 10 0 DDAEMN CN[C@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000086022707 192545365 /nfs/dbraw/zinc/54/53/65/192545365.db2.gz BHILZLSKHJPPSW-OTYXRUKQSA-N 0 1 317.382 1.538 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(F)ccc2O)CCN1C[C@@H](C)O ZINC000179643222 199069619 /nfs/dbraw/zinc/06/96/19/199069619.db2.gz QWKRYPWHRYEHEC-DGCLKSJQSA-N 0 1 310.369 1.449 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C[C@@H](C)O ZINC000180749984 199204759 /nfs/dbraw/zinc/20/47/59/199204759.db2.gz ZCRMSDUJYWRQGB-GDBMZVCRSA-N 0 1 319.449 1.670 10 0 DDAEMN CCOCCN(CC)S(=O)(=O)c1c(C)oc(C)c1CN ZINC000089037064 192711954 /nfs/dbraw/zinc/71/19/54/192711954.db2.gz VBRFUYLKFSWUPL-UHFFFAOYSA-N 0 1 304.412 1.402 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3c[nH]nc3C(C)C)CCO2)n[nH]1 ZINC000193645189 201093271 /nfs/dbraw/zinc/09/32/71/201093271.db2.gz FBSZVTKIWLDHRA-LLVKDONJSA-N 0 1 318.381 1.427 10 0 DDAEMN COc1c(CN2CCC[C@H](Cn3ccnn3)C2)c(C)nn1C ZINC000092070449 193151506 /nfs/dbraw/zinc/15/15/06/193151506.db2.gz PDSLPYKVMZXQKQ-ZDUSSCGKSA-N 0 1 304.398 1.241 10 0 DDAEMN CN1c2ccccc2[C@H](NCC(C)(C)S(C)(=O)=O)CC1=O ZINC000093520430 193263397 /nfs/dbraw/zinc/26/33/97/193263397.db2.gz HGXPAEKNVINOBD-GFCCVEGCSA-N 0 1 310.419 1.507 10 0 DDAEMN COc1ccc(Cc2nc(C)c(Br)c(=O)[nH]2)cn1 ZINC000094631370 193385217 /nfs/dbraw/zinc/38/52/17/193385217.db2.gz LPFUKAVEUPWNIB-UHFFFAOYSA-N 0 1 310.151 1.835 10 0 DDAEMN Cc1cc(OCCN2CCN(C)CC2)n(Cc2ccccc2)n1 ZINC000022042665 182306428 /nfs/dbraw/zinc/30/64/28/182306428.db2.gz OLJGURHAYUAIJM-UHFFFAOYSA-N 0 1 314.433 1.866 10 0 DDAEMN CN(Cc1ccc(Br)cc1)C(=O)N1CCNCC1 ZINC000042439938 183270082 /nfs/dbraw/zinc/27/00/82/183270082.db2.gz AYQQIUZFYHIAHK-UHFFFAOYSA-N 0 1 312.211 1.906 10 0 DDAEMN CCN(CC(=O)Nc1ccccc1OC)C[C@@H](C)C(N)=S ZINC000042444635 183271353 /nfs/dbraw/zinc/27/13/53/183271353.db2.gz SQHDNDIEVYYSKP-LLVKDONJSA-N 0 1 309.435 1.878 10 0 DDAEMN COc1ccc(Br)c(C(=O)N[C@H]2CCN(C)C2)c1 ZINC000042374792 183260803 /nfs/dbraw/zinc/26/08/03/183260803.db2.gz XZBPPCPBRCRLPE-VIFPVBQESA-N 0 1 313.195 1.892 10 0 DDAEMN C[C@H](C[N@@H+](C)CC(=O)N(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000042706571 183299460 /nfs/dbraw/zinc/29/94/60/183299460.db2.gz JHLHAVDVSUXMKX-LLVKDONJSA-N 0 1 312.797 1.951 10 0 DDAEMN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CNCCO1 ZINC000043707834 183382861 /nfs/dbraw/zinc/38/28/61/183382861.db2.gz PUTZHKOGUHLBJW-LLVKDONJSA-N 0 1 313.195 1.993 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2cnn(-c3ccccc3)c2)C1 ZINC000284602671 218097258 /nfs/dbraw/zinc/09/72/58/218097258.db2.gz PYSGAIJURAVCHI-CVEARBPZSA-N 0 1 324.388 1.952 10 0 DDAEMN CC[C@H]1CN(Cc2nc(C(C)(C)C)no2)CCN1CCOC ZINC000105836822 194143374 /nfs/dbraw/zinc/14/33/74/194143374.db2.gz LNRZAZIKVYCGGH-ZDUSSCGKSA-N 0 1 310.442 1.910 10 0 DDAEMN CN(Cc1cnn(C)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874615 194153555 /nfs/dbraw/zinc/15/35/55/194153555.db2.gz IZCFSJWCSSJUCF-OAHLLOKOSA-N 0 1 320.462 1.987 10 0 DDAEMN CSc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105933053 194173497 /nfs/dbraw/zinc/17/34/97/194173497.db2.gz SGBVMRWUXCSDOV-GXTWGEPZSA-N 0 1 323.462 1.656 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000109466196 194266869 /nfs/dbraw/zinc/26/68/69/194266869.db2.gz AQMHLBHWVIRVGS-XQQFMLRXSA-N 0 1 309.479 1.632 10 0 DDAEMN CN1CCN(c2ncc(Br)cc2CO)CC1(C)C ZINC000110733326 194355229 /nfs/dbraw/zinc/35/52/29/194355229.db2.gz KJZRXZDOQPMHSJ-UHFFFAOYSA-N 0 1 314.227 1.867 10 0 DDAEMN CCN1CCN(CC(=O)Nc2cc(N)ccc2Cl)C[C@@H]1C ZINC000110702415 194351265 /nfs/dbraw/zinc/35/12/65/194351265.db2.gz COHLOAQRYPQPRT-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN CC[N@@H+](CC(=O)N1CCc2sccc2C1)[C@@H](C)CC(=O)[O-] ZINC000061182666 184165396 /nfs/dbraw/zinc/16/53/96/184165396.db2.gz BTEKAXVWMBKORI-NSHDSACASA-N 0 1 310.419 1.818 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NC(=O)OCC)C1 ZINC000062878068 184258213 /nfs/dbraw/zinc/25/82/13/184258213.db2.gz UBVJMTPWHUJJBF-CQSZACIVSA-N 0 1 300.355 1.226 10 0 DDAEMN CC(C)N1CCN(Cc2nc3c(cnn3C)c(Cl)n2)CC1 ZINC000063077299 184269140 /nfs/dbraw/zinc/26/91/40/184269140.db2.gz YLNHXMGKCSMUCZ-UHFFFAOYSA-N 0 1 308.817 1.543 10 0 DDAEMN O=C([C@@H]1COC[C@@H]2CN(Cc3nccs3)C[C@@H]21)N1CCCO1 ZINC000247769926 257117645 /nfs/dbraw/zinc/11/76/45/257117645.db2.gz NRJWSRQCONBSOZ-RWMBFGLXSA-N 0 1 323.418 1.001 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccccc2C(=O)OC)CC1 ZINC000123462093 407329595 /nfs/dbraw/zinc/32/95/95/407329595.db2.gz NSABKTQURANBIF-HNNXBMFYSA-N 0 1 306.406 1.362 10 0 DDAEMN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCN(C)CC1 ZINC000103247469 407334404 /nfs/dbraw/zinc/33/44/04/407334404.db2.gz SKESPGSKBKEFHE-ZDUSSCGKSA-N 0 1 304.394 1.361 10 0 DDAEMN CCn1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)ccc1=O ZINC000106909364 407366334 /nfs/dbraw/zinc/36/63/34/407366334.db2.gz VCWGKDRLMHGLMH-INIZCTEOSA-N 0 1 313.401 1.980 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1nccs1 ZINC000106913356 407366619 /nfs/dbraw/zinc/36/66/19/407366619.db2.gz UKNOURDUBNJXRY-AWEZNQCLSA-N 0 1 303.431 1.975 10 0 DDAEMN CCOC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240027 407441088 /nfs/dbraw/zinc/44/10/88/407441088.db2.gz YSFAWQZYSUABCC-NSHDSACASA-N 0 1 314.345 1.725 10 0 DDAEMN CCOC(=O)c1ccc(NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240027 407441094 /nfs/dbraw/zinc/44/10/94/407441094.db2.gz YSFAWQZYSUABCC-NSHDSACASA-N 0 1 314.345 1.725 10 0 DDAEMN O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccccc1 ZINC000224273416 407575858 /nfs/dbraw/zinc/57/58/58/407575858.db2.gz CLNTVDHKHJREHA-UHFFFAOYSA-N 0 1 320.374 1.114 10 0 DDAEMN CCN(CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)C1CC1 ZINC000152164588 407576189 /nfs/dbraw/zinc/57/61/89/407576189.db2.gz ZFRNATSJOVAGJX-CYBMUJFWSA-N 0 1 306.410 1.643 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)C2CCOCC2)CCN1CCOC ZINC000152339503 407612579 /nfs/dbraw/zinc/61/25/79/407612579.db2.gz BUBHEAMQWPRDBH-GOEBONIOSA-N 0 1 312.454 1.618 10 0 DDAEMN CC(C)c1nc([C@H]2CCCN2CCC(=O)N2CCNCC2)no1 ZINC000262098837 407739429 /nfs/dbraw/zinc/73/94/29/407739429.db2.gz LXUGHEYYPXKDAV-CYBMUJFWSA-N 0 1 321.425 1.152 10 0 DDAEMN CN(CCN1CCC([N@@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000186680583 407742346 /nfs/dbraw/zinc/74/23/46/407742346.db2.gz LYHRVSRVZZOHPC-UHFFFAOYSA-N 0 1 305.422 1.604 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(CCN(C)c2ccccc2)CC1 ZINC000186691735 407745150 /nfs/dbraw/zinc/74/51/50/407745150.db2.gz XCRFTFCMKMHHSD-UHFFFAOYSA-N 0 1 319.449 1.994 10 0 DDAEMN Cc1ccc2c(CN3C[C@H](O)C[C@@H]3CO)cc(=O)oc2c1C ZINC000179182973 407747219 /nfs/dbraw/zinc/74/72/19/407747219.db2.gz BLWJBLCMXNWTQQ-ZIAGYGMSSA-N 0 1 303.358 1.337 10 0 DDAEMN COC[C@H](N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000262191026 407762909 /nfs/dbraw/zinc/76/29/09/407762909.db2.gz CGVNLDFRFIVZRL-LBPRGKRZSA-N 0 1 313.195 1.308 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000262211567 407767854 /nfs/dbraw/zinc/76/78/54/407767854.db2.gz DXVLSNVUHGAAFA-IINYFYTJSA-N 0 1 305.378 1.186 10 0 DDAEMN CN(CCOCCO)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000132522687 407788710 /nfs/dbraw/zinc/78/87/10/407788710.db2.gz LQZKABRPVFISMH-KBPBESRZSA-N 0 1 320.216 1.892 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)[NH+](C)C ZINC000179514141 407799228 /nfs/dbraw/zinc/79/92/28/407799228.db2.gz QKQXWUSGSFFJSF-GFCCVEGCSA-N 0 1 304.350 1.699 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccncc2)C[C@H]1CC ZINC000117021960 407806798 /nfs/dbraw/zinc/80/67/98/407806798.db2.gz HLVZOKHISMZJJC-MRXNPFEDSA-N 0 1 320.437 1.724 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(O)c2)CCN1CCOC ZINC000117426138 407835251 /nfs/dbraw/zinc/83/52/51/407835251.db2.gz JQASWMDYTXOIBL-OAHLLOKOSA-N 0 1 306.406 1.504 10 0 DDAEMN Cc1cc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)no1 ZINC000262687286 407902309 /nfs/dbraw/zinc/90/23/09/407902309.db2.gz CWXHFTLZTCGLPY-UHFFFAOYSA-N 0 1 307.350 1.040 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(C)cc2)C1 ZINC000262717383 407907148 /nfs/dbraw/zinc/90/71/48/407907148.db2.gz NZBYURATOLCKEX-UHFFFAOYSA-N 0 1 320.389 1.428 10 0 DDAEMN COc1ccc(NC(=O)CC[N@@H+]([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000263158210 408042556 /nfs/dbraw/zinc/04/25/56/408042556.db2.gz QHCVWICLVHGABQ-LLVKDONJSA-N 0 1 306.362 1.961 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262958749 407985656 /nfs/dbraw/zinc/98/56/56/407985656.db2.gz KLXNFTKXNPWERO-OPRDCNLKSA-N 0 1 310.316 1.438 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCCC[C@H]2c2nnc[nH]2)CC1 ZINC000181378278 407989881 /nfs/dbraw/zinc/98/98/81/407989881.db2.gz WFOXGPFXNRHJBX-BPCQOVAHSA-N 0 1 320.393 1.838 10 0 DDAEMN CC(C)Cc1ccc([C@@H](C)NCC(=O)N2CCNC(=O)C2)cc1 ZINC000154843772 408094335 /nfs/dbraw/zinc/09/43/35/408094335.db2.gz RSUVFVSMSDYMEW-CQSZACIVSA-N 0 1 317.433 1.494 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NC3CCSCC3)CCO2)n[nH]1 ZINC000175478511 408140719 /nfs/dbraw/zinc/14/07/19/408140719.db2.gz RONDWUOEUCZQIW-NSHDSACASA-N 0 1 311.411 1.092 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H]2C(C)C)C1 ZINC000263480964 408151309 /nfs/dbraw/zinc/15/13/09/408151309.db2.gz NXTMGMQJWNNDGF-JXQTWKCFSA-N 0 1 311.426 1.754 10 0 DDAEMN CCn1cc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cn1 ZINC000121198258 408160045 /nfs/dbraw/zinc/16/00/45/408160045.db2.gz VTZYUWKJNKXWJP-UHFFFAOYSA-N 0 1 316.453 1.696 10 0 DDAEMN O=C([O-])CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000263572782 408178029 /nfs/dbraw/zinc/17/80/29/408178029.db2.gz LKHPEDPDRPRFJN-RHSMWYFYSA-N 0 1 302.374 1.490 10 0 DDAEMN Cc1cccc2nc(CN3C[C@H](N4CCOCC4)[C@@H](C)C3)cn21 ZINC000246444117 408258409 /nfs/dbraw/zinc/25/84/09/408258409.db2.gz MHUMMLWEBCAIFG-YOEHRIQHSA-N 0 1 314.433 1.795 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCOC(C)C)CCN1C[C@@H](C)O ZINC000182579002 408196622 /nfs/dbraw/zinc/19/66/22/408196622.db2.gz LTPSTUNJZOGNDL-CABCVRRESA-N 0 1 300.443 1.495 10 0 DDAEMN COc1ccnc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1OC ZINC000190561182 408276143 /nfs/dbraw/zinc/27/61/43/408276143.db2.gz OCAILIMOLDKUPS-ZDUSSCGKSA-N 0 1 317.393 1.603 10 0 DDAEMN COc1ccnc(CN2CCC[C@H](Cn3cncn3)C2)c1OC ZINC000190561182 408276147 /nfs/dbraw/zinc/27/61/47/408276147.db2.gz OCAILIMOLDKUPS-ZDUSSCGKSA-N 0 1 317.393 1.603 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151231180 408281718 /nfs/dbraw/zinc/28/17/18/408281718.db2.gz KPQWPSNHZAXIKT-DOTOQJQBSA-N 0 1 320.437 1.987 10 0 DDAEMN C[C@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1N1CCOCC1 ZINC000246634621 408307909 /nfs/dbraw/zinc/30/79/09/408307909.db2.gz ZQIBIPQGGJDOTJ-JKSUJKDBSA-N 0 1 309.454 1.042 10 0 DDAEMN COCc1ccc([C@@H]2CCCN2C[C@H](O)CN2CCCC2=O)o1 ZINC000131438015 162014666 /nfs/dbraw/zinc/01/46/66/162014666.db2.gz HOXCDEJGTBPZFU-ZFWWWQNUSA-N 0 1 322.405 1.546 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCC3(C(C)C)CC3)CCO2)n[nH]1 ZINC000176353645 408346005 /nfs/dbraw/zinc/34/60/05/408346005.db2.gz HLIODZRVDGMCLE-LBPRGKRZSA-N 0 1 307.398 1.632 10 0 DDAEMN O=S(=O)(c1cccc(Cl)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770910 162241138 /nfs/dbraw/zinc/24/11/38/162241138.db2.gz OMEJCVXUNXOKKC-GFCCVEGCSA-N 0 1 300.811 1.809 10 0 DDAEMN O=S(=O)(c1cccc(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000171770910 162241140 /nfs/dbraw/zinc/24/11/40/162241140.db2.gz OMEJCVXUNXOKKC-GFCCVEGCSA-N 0 1 300.811 1.809 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000173540904 162346773 /nfs/dbraw/zinc/34/67/73/162346773.db2.gz FBIOZBLWJZFEBM-LBPRGKRZSA-N 0 1 306.753 1.980 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCCSC)CCN1C[C@H](C)O ZINC000247015870 408386933 /nfs/dbraw/zinc/38/69/33/408386933.db2.gz WNCXZVIUUZFWCL-UONOGXRCSA-N 0 1 302.484 1.823 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000158991640 408376569 /nfs/dbraw/zinc/37/65/69/408376569.db2.gz ZNOUCZRTPOHSTR-KKUMJFAQSA-N 0 1 309.454 1.480 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccccc3)CCO2)n[nH]1 ZINC000178012343 408757729 /nfs/dbraw/zinc/75/77/29/408757729.db2.gz ZOQNQCNXBBUYRG-CYBMUJFWSA-N 0 1 315.377 1.650 10 0 DDAEMN CCc1n[nH]c(C2CCN(Cc3nnc(C)n3CC)CC2)n1 ZINC000190663900 163150487 /nfs/dbraw/zinc/15/04/87/163150487.db2.gz YDEBAQPSPYSUFD-UHFFFAOYSA-N 0 1 303.414 1.667 10 0 DDAEMN CCc1nnc(C2CCN(Cc3nnc(C)n3CC)CC2)[nH]1 ZINC000190663900 163150492 /nfs/dbraw/zinc/15/04/92/163150492.db2.gz YDEBAQPSPYSUFD-UHFFFAOYSA-N 0 1 303.414 1.667 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(N(C)CC)nc2)CC1 ZINC000191346605 163182158 /nfs/dbraw/zinc/18/21/58/163182158.db2.gz GQXGGUNZOUOBTC-INIZCTEOSA-N 0 1 306.454 1.426 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000248442519 163593076 /nfs/dbraw/zinc/59/30/76/163593076.db2.gz VLZKNPAEXQCKDU-QWHCGFSZSA-N 0 1 310.398 1.464 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000262345650 163811328 /nfs/dbraw/zinc/81/13/28/163811328.db2.gz FXRPEUAMOZMBEX-LSDHHAIUSA-N 0 1 318.373 1.316 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)C2CCSCC2)C1 ZINC000262683315 163864177 /nfs/dbraw/zinc/86/41/77/163864177.db2.gz BFYNIQRTFLCDKP-UHFFFAOYSA-N 0 1 300.424 1.183 10 0 DDAEMN CCNC(=O)c1ccc(NC[C@H](c2cnn(C)c2)N(C)C)nc1 ZINC000301301325 410695278 /nfs/dbraw/zinc/69/52/78/410695278.db2.gz VBQWMEJEFUXNHX-CQSZACIVSA-N 0 1 316.409 1.280 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616621966 422516888 /nfs/dbraw/zinc/51/68/88/422516888.db2.gz WUTFVDXVEPTNQV-NSHDSACASA-N 0 1 309.414 1.696 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000637928766 422483173 /nfs/dbraw/zinc/48/31/73/422483173.db2.gz RISGFEHTLYDHLE-ARLBYUKCSA-N 0 1 306.406 1.339 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000638010727 422552153 /nfs/dbraw/zinc/55/21/53/422552153.db2.gz LXMOZWMPNUEBRY-QMCVQRASSA-N 0 1 320.433 1.586 10 0 DDAEMN O=C1NCC[C@H]1N[C@H]1CCc2sc(Br)cc21 ZINC000658052454 424583387 /nfs/dbraw/zinc/58/33/87/424583387.db2.gz KZTZVJFGMKQHAT-JGVFFNPUSA-N 0 1 301.209 1.976 10 0 DDAEMN Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ncnc2[nH]cnc21 ZINC000664505511 424615267 /nfs/dbraw/zinc/61/52/67/424615267.db2.gz RIBLZTWIIPFHKO-GXFFZTMASA-N 0 1 313.365 1.618 10 0 DDAEMN COCCN1CCN(c2ncnc3c(F)cccc32)C[C@@H]1C ZINC000302656980 274032137 /nfs/dbraw/zinc/03/21/37/274032137.db2.gz HNHPHJQUDCIXSY-LBPRGKRZSA-N 0 1 304.369 1.926 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000263502508 276314918 /nfs/dbraw/zinc/31/49/18/276314918.db2.gz VZKLBTIPVMXKQC-YMAMQOFZSA-N 0 1 323.437 1.898 10 0 DDAEMN Cc1cnn(C)c1C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000367143600 307087075 /nfs/dbraw/zinc/08/70/75/307087075.db2.gz KACZCKSXVNRQSF-HNNXBMFYSA-N 0 1 314.437 1.894 10 0 DDAEMN C[C@@H](CN1CC[C@H](CNc2ccccn2)C1)CS(C)(=O)=O ZINC000163351372 524633188 /nfs/dbraw/zinc/63/31/88/524633188.db2.gz STLGPSFCXGADAH-UONOGXRCSA-N 0 1 311.451 1.496 10 0 DDAEMN CCOCCN1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1C ZINC000105835174 696625011 /nfs/dbraw/zinc/62/50/11/696625011.db2.gz MIIYLXWWGYAJLV-YOEHRIQHSA-N 0 1 310.413 1.902 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)c2ccc(F)cc2)C[C@@H]1C ZINC000105835174 696625013 /nfs/dbraw/zinc/62/50/13/696625013.db2.gz MIIYLXWWGYAJLV-YOEHRIQHSA-N 0 1 310.413 1.902 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(Cc2cnc[nH]2)CC1 ZINC000179527326 697438646 /nfs/dbraw/zinc/43/86/46/697438646.db2.gz WLLHSJCQDKXEQY-UHFFFAOYSA-N 0 1 322.844 1.677 10 0 DDAEMN COCc1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000192527860 697631635 /nfs/dbraw/zinc/63/16/35/697631635.db2.gz BMPABZZGISRVST-UONOGXRCSA-N 0 1 321.421 1.752 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CCN1C[C@H](C)O ZINC000245412318 697822969 /nfs/dbraw/zinc/82/29/69/697822969.db2.gz AJDAEBYJBFEEER-XJKSGUPXSA-N 0 1 319.405 1.172 10 0 DDAEMN COC[C@H](N)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000262035607 698451791 /nfs/dbraw/zinc/45/17/91/698451791.db2.gz FOGFGWJJHRDVML-GJZGRUSLSA-N 0 1 312.385 1.317 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000262870496 698482762 /nfs/dbraw/zinc/48/27/62/698482762.db2.gz CXFUUBGWMWHIOW-UHFFFAOYSA-N 0 1 322.380 1.766 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000263471745 698508991 /nfs/dbraw/zinc/50/89/91/698508991.db2.gz DROCJTDWVDYOPQ-ZACQAIPSSA-N 0 1 318.417 1.507 10 0 DDAEMN Cc1nc(CN[C@@H]2CCC(=O)N[C@H]2C)sc1Br ZINC000719257218 699299715 /nfs/dbraw/zinc/29/97/15/699299715.db2.gz NHZKELGIMPKAMG-POYBYMJQSA-N 0 1 318.240 1.971 10 0 DDAEMN CC(C)(NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)c1c[nH]nn1 ZINC000734403719 699649521 /nfs/dbraw/zinc/64/95/21/699649521.db2.gz KOEPUOHGNKOBOH-YVEFUNNKSA-N 0 1 312.373 1.896 10 0 DDAEMN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H]2c2nn[nH]n2)n1 ZINC000900392503 709572647 /nfs/dbraw/zinc/57/26/47/709572647.db2.gz ANSOJPGNGTUUIO-NWDGAFQWSA-N 0 1 303.370 1.328 10 0 DDAEMN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2c2nn[nH]n2)n1 ZINC000900392500 709572884 /nfs/dbraw/zinc/57/28/84/709572884.db2.gz ANSOJPGNGTUUIO-NEPJUHHUSA-N 0 1 303.370 1.328 10 0 DDAEMN CC(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1[O-] ZINC000087403451 185223856 /nfs/dbraw/zinc/22/38/56/185223856.db2.gz XIQBSGPMDWHTHE-JTQLQIEISA-N 0 1 301.184 1.868 10 0 DDAEMN Cc1cc(CNS(=O)(=O)c2ccnc(NN)c2)sc1C ZINC000087581517 185228897 /nfs/dbraw/zinc/22/88/97/185228897.db2.gz PBOXLVLKXNPDFF-UHFFFAOYSA-N 0 1 312.420 1.524 10 0 DDAEMN O=C(Nc1c(F)cc(Br)cc1F)[C@@H]1CNCCO1 ZINC000088168527 185240880 /nfs/dbraw/zinc/24/08/80/185240880.db2.gz DJUXAUOYOMAHKY-VIFPVBQESA-N 0 1 321.121 1.654 10 0 DDAEMN CNC(=O)[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)C(C)C ZINC000183644697 539242828 /nfs/dbraw/zinc/24/28/28/539242828.db2.gz LFJUEELNJYQZNE-CQSZACIVSA-N 0 1 322.796 1.208 10 0 DDAEMN Cc1cc(=O)[n-]c(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000088398308 185248396 /nfs/dbraw/zinc/24/83/96/185248396.db2.gz IDQIZBAIROMSQU-STQMWFEESA-N 0 1 305.403 1.101 10 0 DDAEMN COC(=O)[C@H](C)S(=O)(=O)Nc1ncccc1Br ZINC000088448374 185251362 /nfs/dbraw/zinc/25/13/62/185251362.db2.gz WMZZALYFQVKUEA-LURJTMIESA-N 0 1 323.168 1.147 10 0 DDAEMN NS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H]2n2ccnc2)o1 ZINC000088539142 185255407 /nfs/dbraw/zinc/25/54/07/185255407.db2.gz RDJLYOCGMGMHMM-NEPJUHHUSA-N 0 1 310.379 1.007 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000088833803 185266562 /nfs/dbraw/zinc/26/65/62/185266562.db2.gz OFOKSXSNXULCJA-SECBINFHSA-N 0 1 311.373 1.538 10 0 DDAEMN CCOCCN1CCN(CCO[C@H]2CCCCO2)C[C@@H]1C ZINC000253355131 282215352 /nfs/dbraw/zinc/21/53/52/282215352.db2.gz LKFABCYBTZSWMC-HOTGVXAUSA-N 0 1 300.443 1.572 10 0 DDAEMN CN[C@@H](C[S@@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998723 192353250 /nfs/dbraw/zinc/35/32/50/192353250.db2.gz JRXBTYGVEGOTPC-LHSJRXKWSA-N 0 1 315.435 1.750 10 0 DDAEMN Cc1ncc(/C=C\C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)s1 ZINC000254990637 282223217 /nfs/dbraw/zinc/22/32/17/282223217.db2.gz QOOBAFLAQQVEMD-JYYSYOFASA-N 0 1 309.435 1.378 10 0 DDAEMN CNCc1cn(Cc2nnc(-c3ccc(Cl)cc3)o2)nn1 ZINC000090295799 185289831 /nfs/dbraw/zinc/28/98/31/185289831.db2.gz CPFYJOHAWPLXNE-UHFFFAOYSA-N 0 1 304.741 1.749 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccnc(NC)c1 ZINC000092672991 185332847 /nfs/dbraw/zinc/33/28/47/185332847.db2.gz HDWKGYJHNDNZCD-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000092627862 185330201 /nfs/dbraw/zinc/33/02/01/185330201.db2.gz GDUNLCCJUVUTLO-JTQLQIEISA-N 0 1 320.846 1.178 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccsc1CO ZINC000092678333 185333436 /nfs/dbraw/zinc/33/34/36/185333436.db2.gz AIFTXTOFTDQVBW-NSHDSACASA-N 0 1 318.464 1.345 10 0 DDAEMN O=C(N[C@H]1CCCc2sccc21)[C@H]1Cc2nc[nH]c2CN1 ZINC000092782492 185340414 /nfs/dbraw/zinc/34/04/14/185340414.db2.gz CAHKVKATZSSVKX-CMPLNLGQSA-N 0 1 302.403 1.679 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000255849667 282281752 /nfs/dbraw/zinc/28/17/52/282281752.db2.gz XCOZUNCSJKYBMW-SDQPKGBYSA-N 0 1 323.824 1.663 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000149519529 186050876 /nfs/dbraw/zinc/05/08/76/186050876.db2.gz MGVUKZRKAHNYAV-CYBMUJFWSA-N 0 1 305.403 1.559 10 0 DDAEMN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000150320571 186056501 /nfs/dbraw/zinc/05/65/01/186056501.db2.gz MZGOWNCFMBPRJB-MRVPVSSYSA-N 0 1 310.341 1.900 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)COc3ccccc3)CCO2)n[nH]1 ZINC000173570764 198228826 /nfs/dbraw/zinc/22/88/26/198228826.db2.gz YVHDGPYKUGXYQT-CYBMUJFWSA-N 0 1 316.361 1.346 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@@H]3c3ccncc3)[C@@H](O)[C@H]2O1 ZINC000106403343 353939149 /nfs/dbraw/zinc/93/91/49/353939149.db2.gz WHVZNXODCFBFHL-OXGONZEZSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccncc3)[C@@H](O)[C@H]2O1 ZINC000106403343 353939150 /nfs/dbraw/zinc/93/91/50/353939150.db2.gz WHVZNXODCFBFHL-OXGONZEZSA-N 0 1 320.389 1.456 10 0 DDAEMN Cc1csc([C@H](C)NS(=O)(=O)c2ccnc(NN)c2)n1 ZINC000080314787 192023899 /nfs/dbraw/zinc/02/38/99/192023899.db2.gz ICHJNDBEIHDULT-QMMMGPOBSA-N 0 1 313.408 1.172 10 0 DDAEMN CNc1nc(C(C)(C)C)c(I)c(=O)[nH]1 ZINC000085448680 192506397 /nfs/dbraw/zinc/50/63/97/192506397.db2.gz XSYXWPQULUWEJR-UHFFFAOYSA-N 0 1 307.135 1.714 10 0 DDAEMN O=C(NCCN1CCCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000189588506 200426115 /nfs/dbraw/zinc/42/61/15/200426115.db2.gz JAWLJEIWTXOADW-OAHLLOKOSA-N 0 1 319.405 1.532 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1N ZINC000092001311 193139788 /nfs/dbraw/zinc/13/97/88/193139788.db2.gz VFXQCOYNZSKGPH-OLZOCXBDSA-N 0 1 309.435 1.434 10 0 DDAEMN Cn1ncc(C(N)=S)c1NS(=O)(=O)CC1CCCCC1 ZINC000093355478 193237315 /nfs/dbraw/zinc/23/73/15/193237315.db2.gz VOYYJOIDXPSYRH-UHFFFAOYSA-N 0 1 316.452 1.376 10 0 DDAEMN CCn1nc(C)c([C@@H](C)NCC(C)(C)S(C)(=O)=O)c1C ZINC000093523095 193263146 /nfs/dbraw/zinc/26/31/46/193263146.db2.gz OGDITVJDGYKTRX-SNVBAGLBSA-N 0 1 301.456 1.994 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093852821 193318257 /nfs/dbraw/zinc/31/82/57/193318257.db2.gz MFYFAONODZVSRX-HZMBPMFUSA-N 0 1 306.391 1.635 10 0 DDAEMN O=C([C@H]1CCCN1Cc1cnc(Cl)s1)N1CCNCC1 ZINC000094195215 193348642 /nfs/dbraw/zinc/34/86/42/193348642.db2.gz WIAVMGRVFIVTEM-LLVKDONJSA-N 0 1 314.842 1.193 10 0 DDAEMN CC(C)(C)[N@@H+](CCC(=O)[O-])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638196 193387010 /nfs/dbraw/zinc/38/70/10/193387010.db2.gz MIWGPKCTNZNJEO-RYUDHWBXSA-N 0 1 305.440 1.917 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000094638193 193387101 /nfs/dbraw/zinc/38/71/01/193387101.db2.gz ZBOKDOLEXXUSCQ-CHWSQXEVSA-N 0 1 303.424 1.671 10 0 DDAEMN COC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000117879916 284300896 /nfs/dbraw/zinc/30/08/96/284300896.db2.gz DFEDASXILHJENI-LZWOXQAQSA-N 0 1 306.406 1.288 10 0 DDAEMN CS(=O)(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC000021507546 182275876 /nfs/dbraw/zinc/27/58/76/182275876.db2.gz DEDMTBAIKGKGRZ-UHFFFAOYSA-N 0 1 302.399 1.895 10 0 DDAEMN CN1CCN(C(C)(C)CNC(=O)c2ccc(Cl)nc2)CC1 ZINC000040807292 183136342 /nfs/dbraw/zinc/13/63/42/183136342.db2.gz PEXLETBJIPCBAY-UHFFFAOYSA-N 0 1 310.829 1.491 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593156 183374520 /nfs/dbraw/zinc/37/45/20/183374520.db2.gz YFWZZTUKFWQVOH-GFCCVEGCSA-N 0 1 317.430 1.663 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(Cc2nccn2-c2ccccc2)C1 ZINC000284893757 218224354 /nfs/dbraw/zinc/22/43/54/218224354.db2.gz AUYGWMYADHNISU-MRXNPFEDSA-N 0 1 310.361 1.084 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)CCN1C[C@@H](C)O ZINC000105826761 194138638 /nfs/dbraw/zinc/13/86/38/194138638.db2.gz JVDHLCFIZQKRSU-OWCLPIDISA-N 0 1 313.486 1.314 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CCN1CCOC ZINC000105835939 194141960 /nfs/dbraw/zinc/14/19/60/194141960.db2.gz RBDJYLUNJHVXBF-MRXNPFEDSA-N 0 1 323.412 1.807 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C/C=C/Cl)CC2)C1 ZINC000105915330 194167948 /nfs/dbraw/zinc/16/79/48/194167948.db2.gz XQKWRYSPJQFGMK-BWPKMQGJSA-N 0 1 301.862 1.466 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c(F)c1 ZINC000105932993 194173588 /nfs/dbraw/zinc/17/35/88/194173588.db2.gz RXDOKHIHWQJAAN-STQMWFEESA-N 0 1 309.385 1.381 10 0 DDAEMN COCCN1CCN(Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000106109142 194187421 /nfs/dbraw/zinc/18/74/21/194187421.db2.gz VBRRCADWTXWSSY-AWEZNQCLSA-N 0 1 308.422 1.856 10 0 DDAEMN COCc1ccccc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000285088087 218285596 /nfs/dbraw/zinc/28/55/96/218285596.db2.gz DKXHQECFDSVLMT-HOTGVXAUSA-N 0 1 304.390 1.378 10 0 DDAEMN CCOC(=O)[C@](C)(N)CCCCSc1nnc(C)n1C ZINC000110034025 194305001 /nfs/dbraw/zinc/30/50/01/194305001.db2.gz UTPXKJQNBDGISC-CYBMUJFWSA-N 0 1 300.428 1.666 10 0 DDAEMN O=C([O-])c1nc(N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000110345532 194324142 /nfs/dbraw/zinc/32/41/42/194324142.db2.gz BPKVYEHHDHRCGL-SNVBAGLBSA-N 0 1 311.769 1.344 10 0 DDAEMN COCCN1CCCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111011006 194382967 /nfs/dbraw/zinc/38/29/67/194382967.db2.gz DICVSZNWUDGZTC-UHFFFAOYSA-N 0 1 311.813 1.717 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(Cc2ccc(Br)o2)CC1 ZINC000061146539 184162937 /nfs/dbraw/zinc/16/29/37/184162937.db2.gz BNLUTOYWISSZBH-UHFFFAOYSA-N 0 1 317.183 1.634 10 0 DDAEMN CCCNc1ncccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000062984601 184265110 /nfs/dbraw/zinc/26/51/10/184265110.db2.gz RIHGRDFSSOBMQG-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN O=C(CNC(=O)c1cccs1)NCc1[nH]nc2ccccc21 ZINC000065219468 184315011 /nfs/dbraw/zinc/31/50/11/184315011.db2.gz BZNNOBOINIZKBC-UHFFFAOYSA-N 0 1 314.370 1.671 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000120673297 195213280 /nfs/dbraw/zinc/21/32/80/195213280.db2.gz LOUBQSOLUKDLEZ-HUUCEWRRSA-N 0 1 314.433 1.964 10 0 DDAEMN Cn1ccnc1CN1C[C@H]2CCN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000248142391 257108874 /nfs/dbraw/zinc/10/88/74/257108874.db2.gz QUQYFJQCHVPAPO-UKRRQHHQSA-N 0 1 311.389 1.300 10 0 DDAEMN O=C(C[C@@H]1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2O1)NC1CC1 ZINC000247763983 257118046 /nfs/dbraw/zinc/11/80/46/257118046.db2.gz JFMYFNQMKIMSNJ-KCXAZCMYSA-N 0 1 301.390 1.340 10 0 DDAEMN COCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306313 407053355 /nfs/dbraw/zinc/05/33/55/407053355.db2.gz PMZQPGRITPOPIM-OLZOCXBDSA-N 0 1 324.421 1.896 10 0 DDAEMN O=C([N-]CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1)C(F)(F)F ZINC000091594723 407181394 /nfs/dbraw/zinc/18/13/94/407181394.db2.gz BWGMUTUHVBPQGD-LBPRGKRZSA-N 0 1 317.311 1.603 10 0 DDAEMN O=C([N-]CCC[N@H+]1CC[C@H](Oc2cccnc2)C1)C(F)(F)F ZINC000091594723 407181398 /nfs/dbraw/zinc/18/13/98/407181398.db2.gz BWGMUTUHVBPQGD-LBPRGKRZSA-N 0 1 317.311 1.603 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000122654749 407307274 /nfs/dbraw/zinc/30/72/74/407307274.db2.gz KSJFPNGDEKMBLF-JSGCOSHPSA-N 0 1 320.437 1.634 10 0 DDAEMN COC[C@@H](C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000103360140 407337857 /nfs/dbraw/zinc/33/78/57/407337857.db2.gz FOYXMBNKAQQYFV-MRXNPFEDSA-N 0 1 319.449 1.203 10 0 DDAEMN C[C@H]1CCCN(C(=O)CN2CCC(Cn3cccn3)CC2)C1 ZINC000105886508 407356693 /nfs/dbraw/zinc/35/66/93/407356693.db2.gz UPOITSHSXCPIID-HNNXBMFYSA-N 0 1 304.438 1.854 10 0 DDAEMN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106908225 407366158 /nfs/dbraw/zinc/36/61/58/407366158.db2.gz VOHWSOFLDCNPGQ-IAGOWNOFSA-N 0 1 317.433 1.286 10 0 DDAEMN COc1ccc([C@@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240268 407441224 /nfs/dbraw/zinc/44/12/24/407441224.db2.gz JHXLBAGUPFUXKO-PWSUYJOCSA-N 0 1 300.362 1.796 10 0 DDAEMN COc1ccc([C@@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240268 407441229 /nfs/dbraw/zinc/44/12/29/407441229.db2.gz JHXLBAGUPFUXKO-PWSUYJOCSA-N 0 1 300.362 1.796 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3cn(C)nc3C)C2=O)n(C)n1 ZINC000179094236 407720629 /nfs/dbraw/zinc/72/06/29/407720629.db2.gz NVELYJKCVVUAJM-CQSZACIVSA-N 0 1 316.409 1.056 10 0 DDAEMN C[C@@H]1CC[C@H](C(=O)NCc2n[nH]c(COc3ccccc3)n2)O1 ZINC000186676537 407741904 /nfs/dbraw/zinc/74/19/04/407741904.db2.gz IOKQEVAYZAOMHR-DGCLKSJQSA-N 0 1 316.361 1.567 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000262292992 407788558 /nfs/dbraw/zinc/78/85/58/407788558.db2.gz NCECOUUEXLNAPN-HNNXBMFYSA-N 0 1 301.346 1.573 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000262379046 407816582 /nfs/dbraw/zinc/81/65/82/407816582.db2.gz XOWMIAVCKSNQPB-CQSZACIVSA-N 0 1 319.336 1.712 10 0 DDAEMN Cc1cnn(CCNC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)c1 ZINC000117987196 407875148 /nfs/dbraw/zinc/87/51/48/407875148.db2.gz MDSCEWLPBOLNAM-UHFFFAOYSA-N 0 1 311.345 1.579 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](O)CC)CC1 ZINC000173459659 407881132 /nfs/dbraw/zinc/88/11/32/407881132.db2.gz PLZRNHMZRAKWNG-IRXDYDNUSA-N 0 1 320.433 1.679 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c(F)cccc2F)C1 ZINC000262855846 407956655 /nfs/dbraw/zinc/95/66/55/407956655.db2.gz YAWANTKTQYEWSI-UHFFFAOYSA-N 0 1 312.316 1.632 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174768699 407990197 /nfs/dbraw/zinc/99/01/97/407990197.db2.gz ADBMPJMLTZIBPQ-AWEZNQCLSA-N 0 1 314.389 1.707 10 0 DDAEMN Cc1ccc(C)c(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262984964 407992757 /nfs/dbraw/zinc/99/27/57/407992757.db2.gz URSXISOUIOKVBA-AWEZNQCLSA-N 0 1 320.389 1.161 10 0 DDAEMN CC[C@H](CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)C(C)C ZINC000263015960 408004314 /nfs/dbraw/zinc/00/43/14/408004314.db2.gz ZLEAFBTWCVILFW-KGLIPLIRSA-N 0 1 314.426 1.303 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCOC(C)C ZINC000175149263 408062422 /nfs/dbraw/zinc/06/24/22/408062422.db2.gz GFHKFFGFZJPJIS-UONOGXRCSA-N 0 1 304.456 1.300 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000263261417 408079390 /nfs/dbraw/zinc/07/93/90/408079390.db2.gz SPUUKAHZRXQJIY-RKDXNWHRSA-N 0 1 312.320 1.582 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000182195917 408088105 /nfs/dbraw/zinc/08/81/05/408088105.db2.gz VLZKNPAEXQCKDU-OLZOCXBDSA-N 0 1 310.398 1.464 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)o1 ZINC000175317323 408104116 /nfs/dbraw/zinc/10/41/16/408104116.db2.gz QVDIWUXUJQAYBQ-GWCFXTLKSA-N 0 1 319.365 1.859 10 0 DDAEMN COc1ccsc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246062409 408131746 /nfs/dbraw/zinc/13/17/46/408131746.db2.gz WKSWAFFDFSLAFD-MNOVXSKESA-N 0 1 316.448 1.614 10 0 DDAEMN CC[C@H](C)[C@H](Nc1nc(N[C@@H]2CCCOC2)cc[nH+]1)C(=O)[O-] ZINC000263434664 408137205 /nfs/dbraw/zinc/13/72/05/408137205.db2.gz UTPXKPJCVRAVQZ-LOWVWBTDSA-N 0 1 308.382 1.979 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@H](C)C2(C)CC2)C1 ZINC000263508833 408159835 /nfs/dbraw/zinc/15/98/35/408159835.db2.gz YDIRERQRUVWUGS-PNESKVBLSA-N 0 1 311.426 1.754 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246299948 408211865 /nfs/dbraw/zinc/21/18/65/408211865.db2.gz BTAIMJOECSAXKP-BRWVUGGUSA-N 0 1 323.481 1.430 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182740892 408235706 /nfs/dbraw/zinc/23/57/06/408235706.db2.gz RIOULUWGOBOXNH-ZDUSSCGKSA-N 0 1 315.377 1.979 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@H](C)CSC)C[C@H]1CC ZINC000246868130 408355552 /nfs/dbraw/zinc/35/55/52/408355552.db2.gz FKCCATNVAMDPGJ-ZIAGYGMSSA-N 0 1 302.484 1.945 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3cccc(C)c3)CCO2)n[nH]1 ZINC000173531185 162344519 /nfs/dbraw/zinc/34/45/19/162344519.db2.gz RNXKLMHDHMSHQX-CQSZACIVSA-N 0 1 300.362 1.564 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247203268 408427115 /nfs/dbraw/zinc/42/71/15/408427115.db2.gz PBIXQPYFYYYMMJ-KBPBESRZSA-N 0 1 321.421 1.021 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000247492635 408481257 /nfs/dbraw/zinc/48/12/57/408481257.db2.gz UKXJCNWMRYZJGO-GVDBMIGSSA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1cc(N2CC[C@@H](N[C@@H](CO)c3ccccc3)C2=O)n(C)n1 ZINC000183642192 408461808 /nfs/dbraw/zinc/46/18/08/408461808.db2.gz VAKAXSHUDIUAQO-CABCVRRESA-N 0 1 314.389 1.157 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247385277 408462862 /nfs/dbraw/zinc/46/28/62/408462862.db2.gz WKBXFQIKSVOPHM-JYJNAYRXSA-N 0 1 313.486 1.722 10 0 DDAEMN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000247407305 408467925 /nfs/dbraw/zinc/46/79/25/408467925.db2.gz YFHQVCOAGRPLFR-QLFBSQMISA-N 0 1 316.467 1.301 10 0 DDAEMN COc1csc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000176923677 408477645 /nfs/dbraw/zinc/47/76/45/408477645.db2.gz LCIDOJLZAYJYAA-JTQLQIEISA-N 0 1 308.363 1.397 10 0 DDAEMN CCCCCCNC(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177248831 408563090 /nfs/dbraw/zinc/56/30/90/408563090.db2.gz KBLQUBGMYZIJNZ-HZPDHXFCSA-N 0 1 311.470 1.335 10 0 DDAEMN COC(=O)c1cccc2nc(NC(=O)C[C@@H](O)C(C)C)[nH]c21 ZINC000162536613 408711301 /nfs/dbraw/zinc/71/13/01/408711301.db2.gz IUIRQFGDAMUDFG-LLVKDONJSA-N 0 1 305.334 1.695 10 0 DDAEMN Cc1cc(=O)n(C)cc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000162835995 408738870 /nfs/dbraw/zinc/73/88/70/408738870.db2.gz VROSHLKDRVWZOH-ZDUSSCGKSA-N 0 1 304.394 1.396 10 0 DDAEMN CC(C)COCCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000185265646 408788780 /nfs/dbraw/zinc/78/87/80/408788780.db2.gz JLEHVKCTJOBLCK-LSDHHAIUSA-N 0 1 315.458 1.146 10 0 DDAEMN CCOCCN1CCN(C(=O)C2CCC(O)CC2)C[C@H]1CC ZINC000194323332 408777186 /nfs/dbraw/zinc/77/71/86/408777186.db2.gz WKOHFLSUCJFBJP-HWOWSKLDSA-N 0 1 312.454 1.497 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3c(C)noc3CC)CCO2)n[nH]1 ZINC000187400669 163017632 /nfs/dbraw/zinc/01/76/32/163017632.db2.gz NDZTUMLFFWJXMX-LLVKDONJSA-N 0 1 319.365 1.440 10 0 DDAEMN CCc1ccccc1CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000188579474 163059052 /nfs/dbraw/zinc/05/90/52/163059052.db2.gz KYTLENCIWOZWCL-OAHLLOKOSA-N 0 1 314.389 1.818 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3ccc(F)nc3)C2=O)n(C)n1 ZINC000189134579 163085745 /nfs/dbraw/zinc/08/57/45/163085745.db2.gz XCQALSQCTUFZOF-ZDUSSCGKSA-N 0 1 317.368 1.548 10 0 DDAEMN CC(C)c1nnc2n1C[C@@H](Nc1ccncc1C(N)=O)CC2 ZINC000184103197 306713273 /nfs/dbraw/zinc/71/32/73/306713273.db2.gz YQJHANCDHLEVFQ-JTQLQIEISA-N 0 1 300.366 1.322 10 0 DDAEMN O=C1c2ccccc2C(=O)N1CCN1CCC(c2cc[nH]n2)CC1 ZINC000195506914 163324761 /nfs/dbraw/zinc/32/47/61/163324761.db2.gz PWLCTPDDZCKJGZ-UHFFFAOYSA-N 0 1 324.384 1.885 10 0 DDAEMN C[C@](O)(CNC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000367393364 418595710 /nfs/dbraw/zinc/59/57/10/418595710.db2.gz BEMIESPNQAQJNX-BZNIZROVSA-N 0 1 306.410 1.357 10 0 DDAEMN C[C@](O)(CNC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000367393364 418595713 /nfs/dbraw/zinc/59/57/13/418595713.db2.gz BEMIESPNQAQJNX-BZNIZROVSA-N 0 1 306.410 1.357 10 0 DDAEMN COc1nsc(CN[C@H]2CCOC[C@H]2O)c1Br ZINC000630074323 421873855 /nfs/dbraw/zinc/87/38/55/421873855.db2.gz OFGNHQLPGJHBKE-NKWVEPMBSA-N 0 1 323.212 1.154 10 0 DDAEMN CN(CC1CC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630658705 422245848 /nfs/dbraw/zinc/24/58/48/422245848.db2.gz UMEISXZXCTXXKC-CVEARBPZSA-N 0 1 316.401 1.973 10 0 DDAEMN CN(CC1CC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630658705 422245854 /nfs/dbraw/zinc/24/58/54/422245854.db2.gz UMEISXZXCTXXKC-CVEARBPZSA-N 0 1 316.401 1.973 10 0 DDAEMN CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)C1CC1 ZINC000630657495 422246299 /nfs/dbraw/zinc/24/62/99/422246299.db2.gz MQAQFFAARQSDEN-LSDHHAIUSA-N 0 1 302.374 1.725 10 0 DDAEMN CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)C1CC1 ZINC000630657495 422246304 /nfs/dbraw/zinc/24/63/04/422246304.db2.gz MQAQFFAARQSDEN-LSDHHAIUSA-N 0 1 302.374 1.725 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000637966125 422516429 /nfs/dbraw/zinc/51/64/29/422516429.db2.gz XDWJNGUGESPFRN-DRPJVOAASA-N 0 1 306.406 1.196 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCc2ccc(O)cc2)C[C@@H]1C ZINC000180073571 278397058 /nfs/dbraw/zinc/39/70/58/278397058.db2.gz NKQDIWUVVSDSFV-UONOGXRCSA-N 0 1 306.406 1.238 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(CC2CC2)C2CCC2)C1 ZINC000263375795 279058144 /nfs/dbraw/zinc/05/81/44/279058144.db2.gz BWMFRNUTEUNLHJ-UHFFFAOYSA-N 0 1 323.437 1.898 10 0 DDAEMN C[C@H](C(=O)NC1CCCC1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246489643 279221596 /nfs/dbraw/zinc/22/15/96/279221596.db2.gz PHVMEZRKMHYUGX-IIAWOOMASA-N 0 1 309.454 1.086 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000247479650 297100075 /nfs/dbraw/zinc/10/00/75/297100075.db2.gz SOUMOJOENBUTGZ-OCCSQVGLSA-N 0 1 322.430 1.399 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCc2ccccc2[C@@H]1CO ZINC000376061230 302033393 /nfs/dbraw/zinc/03/33/93/302033393.db2.gz FXVQXOGGGBWXGL-WBMJQRKESA-N 0 1 312.373 1.028 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCc2ccccc2[C@@H]1CO ZINC000376061230 302033396 /nfs/dbraw/zinc/03/33/96/302033396.db2.gz FXVQXOGGGBWXGL-WBMJQRKESA-N 0 1 312.373 1.028 10 0 DDAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCc2ccccc2[C@@H]1CO ZINC000376061228 302033498 /nfs/dbraw/zinc/03/34/98/302033498.db2.gz FXVQXOGGGBWXGL-LRDDRELGSA-N 0 1 312.373 1.028 10 0 DDAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCc2ccccc2[C@@H]1CO ZINC000376061228 302033500 /nfs/dbraw/zinc/03/35/00/302033500.db2.gz FXVQXOGGGBWXGL-LRDDRELGSA-N 0 1 312.373 1.028 10 0 DDAEMN CCNC(=O)c1ccc(=N[C@@H](C)COCc2ccccc2)[nH]n1 ZINC000390670499 307293692 /nfs/dbraw/zinc/29/36/92/307293692.db2.gz ZJMYRPLSCGKPQA-ZDUSSCGKSA-N 0 1 314.389 1.665 10 0 DDAEMN Clc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1 ZINC000001547604 483917443 /nfs/dbraw/zinc/91/74/43/483917443.db2.gz AHCPKWJUALHOPH-UHFFFAOYSA-N 0 1 320.828 1.929 10 0 investigational DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091612 697383984 /nfs/dbraw/zinc/38/39/84/697383984.db2.gz OTEVHZCQUCIGSP-CZUORRHYSA-N 0 1 314.376 1.387 10 0 DDAEMN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178964565 697431796 /nfs/dbraw/zinc/43/17/96/697431796.db2.gz BNSAEFFTXKRQFS-HTQZYQBOSA-N 0 1 324.233 1.794 10 0 DDAEMN COc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)cn1 ZINC000220621605 697754989 /nfs/dbraw/zinc/75/49/89/697754989.db2.gz CFGFQHQKCCXABH-LBPRGKRZSA-N 0 1 300.362 1.543 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000262372216 698466517 /nfs/dbraw/zinc/46/65/17/698466517.db2.gz WVYUKCFBAFMWEJ-CQSZACIVSA-N 0 1 308.378 1.465 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)c(O)c2)C1 ZINC000263173865 698494404 /nfs/dbraw/zinc/49/44/04/698494404.db2.gz QLJWVHXKZMOTLH-UHFFFAOYSA-N 0 1 306.362 1.368 10 0 DDAEMN O=C([O-])C1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000263513314 698510870 /nfs/dbraw/zinc/51/08/70/698510870.db2.gz NZBXNIZDLDGTDQ-LBPRGKRZSA-N 0 1 306.366 1.369 10 0 DDAEMN CN1C[C@H](O)C[C@]1(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000900086493 709284697 /nfs/dbraw/zinc/28/46/97/709284697.db2.gz PVAPDFKMSJMZKM-FFJHZOIPSA-N 0 1 308.344 1.679 10 0 DDAEMN O=C(c1ccnc(OC(F)F)c1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900389259 709568826 /nfs/dbraw/zinc/56/88/26/709568826.db2.gz DHYQHULYPFEYJO-MRVPVSSYSA-N 0 1 310.264 1.173 10 0 DDAEMN Cc1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000074734090 185014871 /nfs/dbraw/zinc/01/48/71/185014871.db2.gz HUIDLORBPIDURX-UHFFFAOYSA-N 0 1 300.362 1.987 10 0 DDAEMN C[NH2+][C@H]1CCC2(C[C@@H]1Sc1nc(C)cc(=O)[n-]1)OCCO2 ZINC000081868715 192333196 /nfs/dbraw/zinc/33/31/96/192333196.db2.gz OMNWMJHSKUYOKR-QWRGUYRKSA-N 0 1 311.407 1.054 10 0 DDAEMN Cc1ncsc1/C=C/C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249118460 282134317 /nfs/dbraw/zinc/13/43/17/282134317.db2.gz FZZMDVKBLRVKNZ-XMXMHJJKSA-N 0 1 309.435 1.378 10 0 DDAEMN C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000083177823 185216088 /nfs/dbraw/zinc/21/60/88/185216088.db2.gz LQBMYXRFLMEVRE-ZFWWWQNUSA-N 0 1 311.426 1.060 10 0 DDAEMN CC(C)(CCCN1CCN(c2ncccn2)CC1)C(N)=S ZINC000087607809 185229235 /nfs/dbraw/zinc/22/92/35/185229235.db2.gz QCBSUEQXCGVBIQ-UHFFFAOYSA-N 0 1 307.467 1.691 10 0 DDAEMN CCc1[nH]nc(C(=O)N(CC)C2CCCC2)c1S(N)(=O)=O ZINC000087896394 185235725 /nfs/dbraw/zinc/23/57/25/185235725.db2.gz OEKWZAJVLWDAFM-UHFFFAOYSA-N 0 1 314.411 1.024 10 0 DDAEMN Cc1nc(CN2CCCN(Cc3cn(C)nc3C)CC2)no1 ZINC000156631313 539211203 /nfs/dbraw/zinc/21/12/03/539211203.db2.gz RKOQYOVWSGAVLM-UHFFFAOYSA-N 0 1 304.398 1.128 10 0 DDAEMN CCOc1ccc([C@@H](N)CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081975220 192348194 /nfs/dbraw/zinc/34/81/94/192348194.db2.gz HUIIPUCSKGCKHP-ZDUSSCGKSA-N 0 1 315.391 1.063 10 0 DDAEMN NCc1nnnn1-c1c2nsnc2c(Cl)cc1Cl ZINC000088127756 185240470 /nfs/dbraw/zinc/24/04/70/185240470.db2.gz SLQYSHHKRGDLLV-UHFFFAOYSA-N 0 1 302.150 1.433 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000081976330 192348301 /nfs/dbraw/zinc/34/83/01/192348301.db2.gz HBKUVBWAOGWQMV-CYBMUJFWSA-N 0 1 313.419 1.572 10 0 DDAEMN CN(CCC(F)(F)F)C(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC000088433283 185249788 /nfs/dbraw/zinc/24/97/88/185249788.db2.gz QUHZKFZGDXTPTH-UHFFFAOYSA-N 0 1 311.304 1.083 10 0 DDAEMN CCOC(=O)[C@@](N)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088435072 185250221 /nfs/dbraw/zinc/25/02/21/185250221.db2.gz BPZNRCXJEDSGFV-WCQYABFASA-N 0 1 308.344 1.931 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)o1 ZINC000088543526 185256830 /nfs/dbraw/zinc/25/68/30/185256830.db2.gz HWIZIFNIZNHDJV-LLVKDONJSA-N 0 1 302.396 1.187 10 0 DDAEMN CN[C@@H](CS(=O)(=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000081989501 192350592 /nfs/dbraw/zinc/35/05/92/192350592.db2.gz DCHYAAUQCZXMKT-HNNXBMFYSA-N 0 1 313.419 1.550 10 0 DDAEMN CN[C@H](CS(=O)(=O)C1CCOCC1)c1ccc(OC)cc1 ZINC000081989505 192350932 /nfs/dbraw/zinc/35/09/32/192350932.db2.gz DCHYAAUQCZXMKT-OAHLLOKOSA-N 0 1 313.419 1.550 10 0 DDAEMN CN[C@@H](C[S@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999612 192353514 /nfs/dbraw/zinc/35/35/14/192353514.db2.gz BQGPQIAFKPZTJX-QKKBWIMNSA-N 0 1 315.435 1.750 10 0 DDAEMN O=C1[C@H]2Cc3nc[nH]c3CN2C(=O)N1c1cccc(Cl)c1 ZINC000092779335 185340297 /nfs/dbraw/zinc/34/02/97/185340297.db2.gz INZSRRKGDXUBGM-GFCCVEGCSA-N 0 1 302.721 1.957 10 0 DDAEMN C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780830 185340361 /nfs/dbraw/zinc/34/03/61/185340361.db2.gz VTURNMFDRWZNEY-CABZTGNLSA-N 0 1 302.403 1.631 10 0 DDAEMN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000181629647 199329305 /nfs/dbraw/zinc/32/93/05/199329305.db2.gz AKNRNNOBKQHIDE-DTWKUNHWSA-N 0 1 300.305 1.293 10 0 DDAEMN O=C([O-])c1cccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(F)(F)F)c1 ZINC000616570542 539559892 /nfs/dbraw/zinc/55/98/92/539559892.db2.gz NBCLXRSOXNCFRJ-GHMZBOCLSA-N 0 1 316.279 1.509 10 0 DDAEMN CN[C@@H](C[S@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036533 192396646 /nfs/dbraw/zinc/39/66/46/192396646.db2.gz DEYGORJQVFESAG-RBZFPXEDSA-N 0 1 301.408 1.359 10 0 DDAEMN NNc1cc(C(=O)Nc2ncccc2Br)ccn1 ZINC000083891837 192388998 /nfs/dbraw/zinc/38/89/98/192388998.db2.gz GUDGTZZOVRVLHJ-UHFFFAOYSA-N 0 1 308.139 1.777 10 0 DDAEMN O=S(=O)([N-]C[C@H]1CC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000133714080 186009354 /nfs/dbraw/zinc/00/93/54/186009354.db2.gz ZJJRHOAAHYIPAR-LURJTMIESA-N 0 1 315.247 1.943 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000155695690 186103650 /nfs/dbraw/zinc/10/36/50/186103650.db2.gz IYXFDUKGMOXQPW-ZACQAIPSSA-N 0 1 304.434 1.827 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC000174093863 198289957 /nfs/dbraw/zinc/28/99/57/198289957.db2.gz YUULTWGQELTLLP-MRXNPFEDSA-N 0 1 305.422 1.322 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cccnc2)CCN1C[C@@H](C)O ZINC000174642652 198363733 /nfs/dbraw/zinc/36/37/33/198363733.db2.gz WPLUIXKALJKSON-XMAAMQLLSA-N 0 1 303.406 1.398 10 0 DDAEMN CC(C)Cn1ccnc(NC[C@@H]2CN(CC(C)C)CCO2)c1=O ZINC000094132324 353910346 /nfs/dbraw/zinc/91/03/46/353910346.db2.gz JHZNKQNWWDNNFI-OAHLLOKOSA-N 0 1 322.453 1.668 10 0 DDAEMN Cc1cc2c(cc1S(=O)(=O)Nc1ncccn1)OCCO2 ZINC000074936265 191390910 /nfs/dbraw/zinc/39/09/10/191390910.db2.gz RDHCLPWEOSZNHA-UHFFFAOYSA-N 0 1 307.331 1.357 10 0 DDAEMN C[N@@H+](Cc1cccc(Br)c1)C[C@@](C)(O)C(=O)[O-] ZINC000080210306 192012480 /nfs/dbraw/zinc/01/24/80/192012480.db2.gz MMVHUQLDPQFUMN-GFCCVEGCSA-N 0 1 302.168 1.717 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2c(C)n[nH]c2C)n1 ZINC000080868278 192196970 /nfs/dbraw/zinc/19/69/70/192196970.db2.gz NIHXLWFQFJQQHN-ZCFIWIBFSA-N 0 1 315.424 1.564 10 0 DDAEMN CNCc1cc(S(=O)(=O)N2CCO[C@H](C)C2)ccc1Cl ZINC000088914243 192654694 /nfs/dbraw/zinc/65/46/94/192654694.db2.gz UDQFUORDKBIHSS-SNVBAGLBSA-N 0 1 318.826 1.469 10 0 DDAEMN C[N@H+]1CCN(C(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1(C)C ZINC000091133109 193000367 /nfs/dbraw/zinc/00/03/67/193000367.db2.gz RKBVSADBYBLJNI-NSHDSACASA-N 0 1 315.439 1.025 10 0 DDAEMN C[C@@H]1CCC[C@@H](NC(=O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)[C@H]1C ZINC000625579378 367028671 /nfs/dbraw/zinc/02/86/71/367028671.db2.gz DHUFAJKFWYNDDE-QFRSUPTLSA-N 0 1 320.437 1.770 10 0 DDAEMN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(F)cc2nc[nH]c21 ZINC000112650714 284121060 /nfs/dbraw/zinc/12/10/60/284121060.db2.gz ITMHBKMYQNULBT-SECBINFHSA-N 0 1 300.297 1.038 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094225580 193351579 /nfs/dbraw/zinc/35/15/79/193351579.db2.gz BNALBGVAJJYONY-KWQFWETISA-N 0 1 311.304 1.176 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@H]([N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000094638192 193387303 /nfs/dbraw/zinc/38/73/03/193387303.db2.gz ZBOKDOLEXXUSCQ-STQMWFEESA-N 0 1 303.424 1.671 10 0 DDAEMN CCOC(=O)[C@@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094643593 193389973 /nfs/dbraw/zinc/38/99/73/193389973.db2.gz URDFQXJRBRARDK-MCIONIFRSA-N 0 1 317.451 1.617 10 0 DDAEMN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1N)c1nn[nH]n1 ZINC000094598802 193383255 /nfs/dbraw/zinc/38/32/55/193383255.db2.gz XHDMAPNOGQMHBR-RXMQYKEDSA-N 0 1 300.244 1.292 10 0 DDAEMN c1cc(CN2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)n[nH]1 ZINC000096074271 193524562 /nfs/dbraw/zinc/52/45/62/193524562.db2.gz DEMDENGNBBXLHB-AWEZNQCLSA-N 0 1 314.393 1.435 10 0 DDAEMN Cc1ccc(NS(=O)(=O)c2cnc(NN)nc2)cc1Cl ZINC000041071028 183162348 /nfs/dbraw/zinc/16/23/48/183162348.db2.gz GUVFMGHKIFBGCM-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN COC(=O)c1c2c(sc1N1C(=O)C[C@@H](C)C1=O)CNCC2 ZINC000041156689 183179309 /nfs/dbraw/zinc/17/93/09/183179309.db2.gz SWSKLFIPYCAZNC-SSDOTTSWSA-N 0 1 308.359 1.080 10 0 DDAEMN COc1ccc(Cl)c(NC(=O)[C@@H](N)CCS(C)(=O)=O)c1 ZINC000043318612 183354178 /nfs/dbraw/zinc/35/41/78/183354178.db2.gz RPVHCYMJKBIODB-JTQLQIEISA-N 0 1 320.798 1.049 10 0 DDAEMN CC(C)(N)c1noc(COc2ccc(S(C)(=O)=O)cc2)n1 ZINC000043402640 183358803 /nfs/dbraw/zinc/35/88/03/183358803.db2.gz BETYOZUIIGVEFA-UHFFFAOYSA-N 0 1 311.363 1.246 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C ZINC000105824222 194137670 /nfs/dbraw/zinc/13/76/70/194137670.db2.gz SMPRKRXQBBVPQQ-HUUCEWRRSA-N 0 1 323.481 1.307 10 0 DDAEMN CCCCc1noc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)n1 ZINC000105826859 194137886 /nfs/dbraw/zinc/13/78/86/194137886.db2.gz ABZCEMTWQKQWAR-ZIAGYGMSSA-N 0 1 310.442 1.689 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2c(F)cccc2F)C[C@H]1C ZINC000105833844 194142915 /nfs/dbraw/zinc/14/29/15/194142915.db2.gz CYFBHQPUIJHWEO-DOMZBBRYSA-N 0 1 314.376 1.651 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccccc1)CC2 ZINC000105874052 194152810 /nfs/dbraw/zinc/15/28/10/194152810.db2.gz RPTPKNDQNARLQZ-UKRRQHHQSA-N 0 1 313.405 1.533 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932718 194173599 /nfs/dbraw/zinc/17/35/99/194173599.db2.gz MBVDGMFTDILAEU-VXGBXAGGSA-N 0 1 311.813 1.587 10 0 DDAEMN Cc1cc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n[nH]1 ZINC000285092976 218288489 /nfs/dbraw/zinc/28/84/89/218288489.db2.gz YPKAORNDLZYHEH-OAHLLOKOSA-N 0 1 318.381 1.014 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)CC(F)(F)F)CC1 ZINC000109463749 194265954 /nfs/dbraw/zinc/26/59/54/194265954.db2.gz IZBOWACJTLQGPX-VIFPVBQESA-N 0 1 311.373 1.538 10 0 DDAEMN CC[N@H+](CC(=O)Nc1ccc(F)cc1F)C[C@H](C)C(=O)[O-] ZINC000061221323 184166033 /nfs/dbraw/zinc/16/60/33/184166033.db2.gz POLOLCNLELEJFF-VIFPVBQESA-N 0 1 300.305 1.946 10 0 DDAEMN NC(=O)c1ccc(N2CCC[N@@H+](CC(=O)[O-])CC2)cc1Cl ZINC000061845452 184189741 /nfs/dbraw/zinc/18/97/41/184189741.db2.gz CHQLENSVGCGHFW-UHFFFAOYSA-N 0 1 311.769 1.036 10 0 DDAEMN CN(CCNS(=O)(=O)c1cc(N)c(F)cc1Cl)C1CC1 ZINC000061992628 184200505 /nfs/dbraw/zinc/20/05/05/184200505.db2.gz WICJWEKZHWDNCY-UHFFFAOYSA-N 0 1 321.805 1.434 10 0 DDAEMN C[C@@H](c1ccccc1Cl)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000062014451 184201338 /nfs/dbraw/zinc/20/13/38/184201338.db2.gz RMHXATTWVAGEMW-TVYUQYBPSA-N 0 1 302.827 1.457 10 0 DDAEMN CCCNS(=O)(=O)NC[C@@H](c1ccc(OC)cc1)N(C)C ZINC000062352645 184231519 /nfs/dbraw/zinc/23/15/19/184231519.db2.gz KJUPYYRCQVXXLA-AWEZNQCLSA-N 0 1 315.439 1.132 10 0 DDAEMN CCCS(=O)(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 ZINC000064969610 184307280 /nfs/dbraw/zinc/30/72/80/184307280.db2.gz ZOSMWKDQFICEGW-UHFFFAOYSA-N 0 1 322.434 1.576 10 0 DDAEMN Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3N(Cc3cccnc3)C2)n1 ZINC000247993274 257112993 /nfs/dbraw/zinc/11/29/93/257112993.db2.gz BPIMTEJQBKHSIL-ILXRZTDVSA-N 0 1 300.362 1.920 10 0 DDAEMN COCCNC(=O)[C@@H]1CN(Cc2ccccc2F)[C@H]2CCO[C@@H]12 ZINC000247908158 257113961 /nfs/dbraw/zinc/11/39/61/257113961.db2.gz XUCLNXYISSVFAC-KBMXLJTQSA-N 0 1 322.380 1.178 10 0 DDAEMN O=S(=O)(c1cccs1)N1CC[C@@H]2[C@@H]1CCN2CC1CC1 ZINC000247308353 257120320 /nfs/dbraw/zinc/12/03/20/257120320.db2.gz HMCLCINFHQQVJT-OLZOCXBDSA-N 0 1 312.460 1.995 10 0 DDAEMN CCOCCNC(=O)CN(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000175981272 286093673 /nfs/dbraw/zinc/09/36/73/286093673.db2.gz HHVDPGKEWAKYDS-GJZGRUSLSA-N 0 1 312.454 1.809 10 0 DDAEMN CCO[C@@H]1C[C@@](N)(C(=O)NCC[S@@](=O)C(C)(C)C)C1(C)C ZINC000187770241 286306777 /nfs/dbraw/zinc/30/67/77/286306777.db2.gz AIMIQJPLSQXLFC-GKABBXAVSA-N 0 1 318.483 1.182 10 0 DDAEMN COCCCNC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107584 406955771 /nfs/dbraw/zinc/95/57/71/406955771.db2.gz ZHGQZLIDIJYRNJ-IRXDYDNUSA-N 0 1 320.433 1.727 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@H]2c2cnn(C)c2)n[nH]1 ZINC000124552946 407362109 /nfs/dbraw/zinc/36/21/09/407362109.db2.gz UUUJPBTXUSOIQN-ABAIWWIYSA-N 0 1 316.409 1.929 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCN1C[C@@H](C)O ZINC000105912666 407357905 /nfs/dbraw/zinc/35/79/05/407357905.db2.gz WYQSQKIWRUMSBY-ARFHVFGLSA-N 0 1 311.470 1.164 10 0 DDAEMN CNc1c(Cl)ncnc1N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000125049084 407377168 /nfs/dbraw/zinc/37/71/68/407377168.db2.gz MPUBRWVAYAGMTJ-MRVPVSSYSA-N 0 1 309.761 1.176 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000126691714 407419644 /nfs/dbraw/zinc/41/96/44/407419644.db2.gz KWSVPSDUDKPZAS-NSHDSACASA-N 0 1 311.349 1.102 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1F ZINC000113305396 407492458 /nfs/dbraw/zinc/49/24/58/407492458.db2.gz VTXNLNVEEIHRKP-GHMZBOCLSA-N 0 1 316.373 1.822 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3cc(C)on3)CCO2)n[nH]1 ZINC000130042562 407646333 /nfs/dbraw/zinc/64/63/33/407646333.db2.gz PDSFTGQRQGWTCA-VIFPVBQESA-N 0 1 306.326 1.269 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3nc(C)cs3)CCO2)n[nH]1 ZINC000130041685 407646400 /nfs/dbraw/zinc/64/64/00/407646400.db2.gz NHACRMNHOUTFRA-VIFPVBQESA-N 0 1 322.394 1.737 10 0 DDAEMN CC[C@@H](C)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000171665394 407736212 /nfs/dbraw/zinc/73/62/12/407736212.db2.gz SIVKFDRZYOGZBY-GDBMZVCRSA-N 0 1 319.449 1.580 10 0 DDAEMN CC[S@@](=O)c1ccccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116786294 407777863 /nfs/dbraw/zinc/77/78/63/407777863.db2.gz BLJLCBGCYQRPMP-XMHCIUCPSA-N 0 1 324.446 1.217 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518226 407799458 /nfs/dbraw/zinc/79/94/58/407799458.db2.gz QZOMHBJGGFYHEL-ZDUSSCGKSA-N 0 1 315.425 1.982 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179518226 407799464 /nfs/dbraw/zinc/79/94/64/407799464.db2.gz QZOMHBJGGFYHEL-ZDUSSCGKSA-N 0 1 315.425 1.982 10 0 DDAEMN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](N)COC)cc1 ZINC000262340547 407807247 /nfs/dbraw/zinc/80/72/47/407807247.db2.gz FNKSVDVDFZIVLB-CYBMUJFWSA-N 0 1 307.394 1.517 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(O)c2)CCN1CCOC ZINC000117426140 407835332 /nfs/dbraw/zinc/83/53/32/407835332.db2.gz JQASWMDYTXOIBL-HNNXBMFYSA-N 0 1 306.406 1.504 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCn2cccn2)CCN1CCOC ZINC000117475627 407837881 /nfs/dbraw/zinc/83/78/81/407837881.db2.gz NSFOHUVLLHZGND-HNNXBMFYSA-N 0 1 323.441 1.025 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000262512084 407854773 /nfs/dbraw/zinc/85/47/73/407854773.db2.gz JSBPONGKAZPKHJ-KKUMJFAQSA-N 0 1 308.378 1.281 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262556029 407864809 /nfs/dbraw/zinc/86/48/09/407864809.db2.gz WLKCVAZMSOHMHP-BFHYXJOUSA-N 0 1 313.442 1.161 10 0 DDAEMN CCOC(=O)[C@@H](c1ccccc1)N1CCN(C[C@H](O)CC)CC1 ZINC000173459703 407880545 /nfs/dbraw/zinc/88/05/45/407880545.db2.gz PLZRNHMZRAKWNG-IAGOWNOFSA-N 0 1 320.433 1.679 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CSC(F)(F)F)CCO2)n[nH]1 ZINC000173519973 407885738 /nfs/dbraw/zinc/88/57/38/407885738.db2.gz ROBTXACVRFIXGZ-ZETCQYMHSA-N 0 1 310.301 1.266 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)c2ccccc2)C1 ZINC000262932636 407974174 /nfs/dbraw/zinc/97/41/74/407974174.db2.gz BKUDCNACKUOYIR-LRVUVFPRSA-N 0 1 304.390 1.844 10 0 DDAEMN CCCCc1noc([C@@H](C)N2CCN(C[C@@H](O)CC)CC2)n1 ZINC000174083754 407913927 /nfs/dbraw/zinc/91/39/27/407913927.db2.gz LKVBFOQOYSOKQR-KGLIPLIRSA-N 0 1 310.442 1.862 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000263116304 408028880 /nfs/dbraw/zinc/02/88/80/408028880.db2.gz FYFXWISQITZUHZ-SNVBAGLBSA-N 0 1 324.431 1.743 10 0 DDAEMN CCOCCN1CCN(Cc2ncnn2CC(C)C)C[C@H]1C ZINC000245515834 408004713 /nfs/dbraw/zinc/00/47/13/408004713.db2.gz DYJQOJSZNLVQJU-OAHLLOKOSA-N 0 1 309.458 1.477 10 0 DDAEMN COCC[C@@](C)(O)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000174917002 408007583 /nfs/dbraw/zinc/00/75/83/408007583.db2.gz SNUDVRADILQUPV-DOTOQJQBSA-N 0 1 308.422 1.063 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000245803393 408072121 /nfs/dbraw/zinc/07/21/21/408072121.db2.gz YEUCFLOTYVCBMC-MNOVXSKESA-N 0 1 302.340 1.991 10 0 DDAEMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000245921869 408099000 /nfs/dbraw/zinc/09/90/00/408099000.db2.gz WZZCYBBWDVTQLS-FRRDWIJNSA-N 0 1 322.453 1.434 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC000263426342 408134654 /nfs/dbraw/zinc/13/46/54/408134654.db2.gz MGBOEBHGWVKILS-SJQFEJMWSA-N 0 1 312.410 1.101 10 0 DDAEMN CCN(CC)[C@@H](CNC(=O)N1CC(NC(C)=O)C1)c1ccco1 ZINC000189957518 408140045 /nfs/dbraw/zinc/14/00/45/408140045.db2.gz XTTGEQRBRFLNNX-AWEZNQCLSA-N 0 1 322.409 1.192 10 0 DDAEMN CO[C@H](C)CCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263449098 408143311 /nfs/dbraw/zinc/14/33/11/408143311.db2.gz RUZZHIGGBYKNTD-LMWSTFAQSA-N 0 1 312.410 1.245 10 0 DDAEMN COc1ccc(CN2CC[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000120950900 408149378 /nfs/dbraw/zinc/14/93/78/408149378.db2.gz DNJYUHSZHXQSFH-OAHLLOKOSA-N 0 1 306.406 1.610 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nccnc2OC(F)F)C1 ZINC000263567690 408178255 /nfs/dbraw/zinc/17/82/55/408178255.db2.gz XRDJWXFNTLDTGT-UHFFFAOYSA-N 0 1 316.308 1.427 10 0 DDAEMN COCCN1CCN(Cc2ccc(C(=O)OC)c(F)c2)C[C@H]1C ZINC000151055457 408248008 /nfs/dbraw/zinc/24/80/08/408248008.db2.gz GZJJZRVNJKKIPT-CYBMUJFWSA-N 0 1 324.396 1.765 10 0 DDAEMN CCOCCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190690441 408302751 /nfs/dbraw/zinc/30/27/51/408302751.db2.gz NHDFUENKOTZQPF-INIZCTEOSA-N 0 1 320.437 1.581 10 0 DDAEMN CCCn1cc(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)cn1 ZINC000183208032 408352895 /nfs/dbraw/zinc/35/28/95/408352895.db2.gz WKEYCCAAIABOHO-LBPRGKRZSA-N 0 1 318.381 1.187 10 0 DDAEMN Cc1noc(C)c1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246913049 408364095 /nfs/dbraw/zinc/36/40/95/408364095.db2.gz ILQNODRWQKAOKB-SKDRFNHKSA-N 0 1 301.412 1.298 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000173459324 162341786 /nfs/dbraw/zinc/34/17/86/162341786.db2.gz SXTBPINSEYZNKX-WMLDXEAASA-N 0 1 323.481 1.164 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)CCO2)n[nH]1 ZINC000173536538 162347185 /nfs/dbraw/zinc/34/71/85/162347185.db2.gz PYNZOMBDHVWBCU-DOMZBBRYSA-N 0 1 314.389 1.892 10 0 DDAEMN CSc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)o1 ZINC000173539384 162347642 /nfs/dbraw/zinc/34/76/42/162347642.db2.gz SIVWFZGQRUGVSH-SNVBAGLBSA-N 0 1 308.363 1.642 10 0 DDAEMN CC(=O)c1csc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173606359 162351607 /nfs/dbraw/zinc/35/16/07/162351607.db2.gz PCLHKDYZIDJVGQ-NSHDSACASA-N 0 1 320.374 1.591 10 0 DDAEMN Cc1nc([C@H]2CN(S(=O)(=O)CCC(C)(C)C)CCO2)n[nH]1 ZINC000173734098 162359791 /nfs/dbraw/zinc/35/97/91/162359791.db2.gz LHGYGFPLLQINJS-LLVKDONJSA-N 0 1 316.427 1.252 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(CC(C)C)no2)CCN1C[C@H](C)O ZINC000247104922 408409453 /nfs/dbraw/zinc/40/94/53/408409453.db2.gz IMQZCFFTNBIGPM-UONOGXRCSA-N 0 1 310.442 1.545 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000159669469 408426100 /nfs/dbraw/zinc/42/61/00/408426100.db2.gz RYTXZPZORJEXHW-BXKDBHETSA-N 0 1 315.211 1.470 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1F ZINC000247510106 408485091 /nfs/dbraw/zinc/48/50/91/408485091.db2.gz VTXNLNVEEIHRKP-MNOVXSKESA-N 0 1 316.373 1.822 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000174096519 286943507 /nfs/dbraw/zinc/94/35/07/286943507.db2.gz IKNXQISMGXYUFU-HZPDHXFCSA-N 0 1 313.486 1.409 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N(CC)CC)C[C@H]1CC ZINC000247404718 408465213 /nfs/dbraw/zinc/46/52/13/408465213.db2.gz YYBKLYVMKDTXJV-HZPDHXFCSA-N 0 1 313.486 1.676 10 0 DDAEMN C[C@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000177224328 408554178 /nfs/dbraw/zinc/55/41/78/408554178.db2.gz QYPJPJUWVLXPSP-RDJZCZTQSA-N 0 1 323.481 1.430 10 0 DDAEMN Cc1csc([C@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)n1 ZINC000177236313 408560536 /nfs/dbraw/zinc/56/05/36/408560536.db2.gz WKVFCYBZJWWUEE-NSHDSACASA-N 0 1 305.407 1.908 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CCN1C[C@H](C)O ZINC000248462998 408573484 /nfs/dbraw/zinc/57/34/84/408573484.db2.gz XAGFYOHIJGBHPC-XJKSGUPXSA-N 0 1 323.412 1.812 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000162117249 408672112 /nfs/dbraw/zinc/67/21/12/408672112.db2.gz MTUTVOBKDZSMFD-SNVBAGLBSA-N 0 1 304.362 1.431 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cccc(-n2nnnc2C)c1)N(C)C ZINC000161567632 408615984 /nfs/dbraw/zinc/61/59/84/408615984.db2.gz MYHHFGQAJSDTSO-AWEZNQCLSA-N 0 1 302.382 1.640 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248892599 408656555 /nfs/dbraw/zinc/65/65/55/408656555.db2.gz SLDVUNJQQHDXAW-RBSFLKMASA-N 0 1 312.454 1.759 10 0 DDAEMN CCC[C@H](C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O)N(C)C ZINC000162284072 408685328 /nfs/dbraw/zinc/68/53/28/408685328.db2.gz NRAUDHWZBQNXKL-HZPDHXFCSA-N 0 1 317.433 1.947 10 0 DDAEMN CCCCc1nc2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2[nH]1 ZINC000194829673 408800026 /nfs/dbraw/zinc/80/00/26/408800026.db2.gz HPMWFGQXKRXERV-SNVBAGLBSA-N 0 1 300.362 1.980 10 0 DDAEMN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000191671059 163197523 /nfs/dbraw/zinc/19/75/23/163197523.db2.gz UQKJRKMTTFFONR-HIFRSBDPSA-N 0 1 318.421 1.587 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)CCO2)cn1 ZINC000191717855 163199347 /nfs/dbraw/zinc/19/93/47/163199347.db2.gz NSXKSNDXOSYFPT-HOTGVXAUSA-N 0 1 320.437 1.677 10 0 DDAEMN CC[C@H]1CN([C@@H](C)c2nnnn2C2CC2)CCN1CCOC ZINC000192001729 163212603 /nfs/dbraw/zinc/21/26/03/163212603.db2.gz VKOBLSYYJDVNDC-STQMWFEESA-N 0 1 308.430 1.112 10 0 DDAEMN Cc1csc(=O)n1CCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195086958 163306075 /nfs/dbraw/zinc/30/60/75/163306075.db2.gz ZWASEILCCZCLNV-CYBMUJFWSA-N 0 1 309.435 1.305 10 0 DDAEMN CC[C@@H]1CC[C@H](C)N1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263486861 287113243 /nfs/dbraw/zinc/11/32/43/287113243.db2.gz PQLGDSCEVAZCOV-RJZJGCCBSA-N 0 1 311.426 1.896 10 0 DDAEMN CSc1ccc(N2CCC[C@H](CN3CCOCC3)C2)nn1 ZINC000301395317 410710884 /nfs/dbraw/zinc/71/08/84/410710884.db2.gz LLEPJDUTYNUEKW-CYBMUJFWSA-N 0 1 308.451 1.747 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3C(C)C)CCO2)n[nH]1 ZINC000365495862 418868536 /nfs/dbraw/zinc/86/85/36/418868536.db2.gz FKNULCAMEWZQBZ-SGMGOOAPSA-N 0 1 322.409 1.328 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000583617374 422201434 /nfs/dbraw/zinc/20/14/34/422201434.db2.gz CUYUMQVNXQWYGL-KRWDZBQOSA-N 0 1 324.388 1.474 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000183818148 263382182 /nfs/dbraw/zinc/38/21/82/263382182.db2.gz NGIAVPVPXVQFEI-LBPRGKRZSA-N 0 1 320.393 1.399 10 0 DDAEMN C[C@@H]1NCCN(S(=O)(=O)c2cc(F)c(F)cc2F)[C@H]1C ZINC000262783146 279038019 /nfs/dbraw/zinc/03/80/19/279038019.db2.gz PMJMVUHGGUHBTC-YUMQZZPRSA-N 0 1 308.325 1.475 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)C(=O)CCS(=O)(=O)CC(C)C ZINC000177011628 279297154 /nfs/dbraw/zinc/29/71/54/279297154.db2.gz BVKAWKFLNJEQOD-CQSZACIVSA-N 0 1 318.483 1.390 10 0 DDAEMN CCN(C)C(=O)CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000130558476 281385379 /nfs/dbraw/zinc/38/53/79/281385379.db2.gz VQPOTQLUGRDEOS-ZDUSSCGKSA-N 0 1 313.442 1.844 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132666808 281462412 /nfs/dbraw/zinc/46/24/12/281462412.db2.gz SVOHHNRYHMWFST-HRCADAONSA-N 0 1 317.433 1.320 10 0 DDAEMN C[C@H](C(=O)N1CCC(C)CC1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247073312 289260963 /nfs/dbraw/zinc/26/09/63/289260963.db2.gz GQSFORPLYCUPPA-HRCADAONSA-N 0 1 311.470 1.020 10 0 DDAEMN O=C(NC1C2CC3CC(C2)CC1C3)c1[nH]nc2c1CNCC2 ZINC000188256115 295601439 /nfs/dbraw/zinc/60/14/39/295601439.db2.gz LOZBDOGHKZSYDX-UHFFFAOYSA-N 0 1 300.406 1.610 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262984776 298129920 /nfs/dbraw/zinc/12/99/20/298129920.db2.gz NANDRDYSWZMUHE-IWSPIJDZSA-N 0 1 310.316 1.485 10 0 DDAEMN CCOc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000171770819 298235271 /nfs/dbraw/zinc/23/52/71/298235271.db2.gz CJPKBUIUNVUIHA-CQSZACIVSA-N 0 1 324.446 1.862 10 0 DDAEMN CCc1nc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)n[nH]1 ZINC000158373946 522314895 /nfs/dbraw/zinc/31/48/95/522314895.db2.gz JQCBFQJYBWGYAO-UHFFFAOYSA-N 0 1 317.441 1.035 10 0 DDAEMN CCn1cc(C2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)cn1 ZINC000163343856 523358225 /nfs/dbraw/zinc/35/82/25/523358225.db2.gz FWBGZDALAJEBEC-CYBMUJFWSA-N 0 1 313.467 1.763 10 0 DDAEMN COC(=O)[C@H](c1cccnc1)N1CCC(c2ccn[nH]2)CC1 ZINC000157986076 523940832 /nfs/dbraw/zinc/94/08/32/523940832.db2.gz YOLCYMDLMPXDGO-HNNXBMFYSA-N 0 1 300.362 1.898 10 0 DDAEMN CCCS(=O)(=O)N1CCC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000261994096 698449201 /nfs/dbraw/zinc/44/92/01/698449201.db2.gz SSATZDZIHZISPE-JTQLQIEISA-N 0 1 314.411 1.284 10 0 DDAEMN COC[C@@H](N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262239818 698460913 /nfs/dbraw/zinc/46/09/13/698460913.db2.gz HQNFNPUZTRTUJY-MNOVXSKESA-N 0 1 307.177 1.117 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(C)CCCC2)C1 ZINC000263259350 698498296 /nfs/dbraw/zinc/49/82/96/698498296.db2.gz QBULOHJDJSPAFI-UHFFFAOYSA-N 0 1 311.426 1.803 10 0 DDAEMN CCOc1cccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000263491762 698509956 /nfs/dbraw/zinc/50/99/56/698509956.db2.gz ISIJXFHEPGYYEV-INIZCTEOSA-N 0 1 322.405 1.303 10 0 DDAEMN Cn1cc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(Br)n1 ZINC000714081027 699269000 /nfs/dbraw/zinc/26/90/00/699269000.db2.gz HPPCFHFDVARGDE-HOSYDEDBSA-N 0 1 314.227 1.775 10 0 DDAEMN O=C([O-])c1cccc(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000827952995 706092902 /nfs/dbraw/zinc/09/29/02/706092902.db2.gz RKFNQNBHOFXXDV-OAHLLOKOSA-N 0 1 302.374 1.624 10 0 DDAEMN CC(=O)N1C[C@@H](NCc2ccn(C)n2)CC[C@H]1C(F)(F)F ZINC000886035929 708686488 /nfs/dbraw/zinc/68/64/88/708686488.db2.gz TZCYNKOAKJZETQ-RYUDHWBXSA-N 0 1 304.316 1.452 10 0 DDAEMN CCc1noc(C)c1CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000888077123 709209634 /nfs/dbraw/zinc/20/96/34/709209634.db2.gz LSLXAWBIJIMGIF-INIZCTEOSA-N 0 1 319.409 1.244 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2c(C)[nH]nc2Cl)C1 ZINC000908093793 712685020 /nfs/dbraw/zinc/68/50/20/712685020.db2.gz UNSHZIXWLGNXHP-BDAKNGLRSA-N 0 1 324.772 1.400 10 0 DDAEMN CC(C)N1CC[C@@H](N2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000931119550 714006595 /nfs/dbraw/zinc/00/65/95/714006595.db2.gz HNYLIVPGISYMTC-UKRRQHHQSA-N 0 1 303.410 1.412 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCCSC)CCN1C[C@H](C)O ZINC000248448980 282083829 /nfs/dbraw/zinc/08/38/29/282083829.db2.gz DWTYCELZDDFNRL-UONOGXRCSA-N 0 1 317.499 1.616 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)SC)CCN1C[C@H](C)O ZINC000248504262 282088124 /nfs/dbraw/zinc/08/81/24/282088124.db2.gz VJNYCMPQHDRRCB-RWMBFGLXSA-N 0 1 303.472 1.225 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)NCc1cc2c(c(Cl)c1)OCO2 ZINC000081902548 192336953 /nfs/dbraw/zinc/33/69/53/192336953.db2.gz DOIPIPRJWXFYOG-QMMMGPOBSA-N 0 1 305.783 1.591 10 0 DDAEMN Cc1nc([C@H]2CCCCN2Cc2cc(=O)n3ccccc3n2)n[nH]1 ZINC000328667793 231298398 /nfs/dbraw/zinc/29/83/98/231298398.db2.gz DUMSCNAFFKZEON-CQSZACIVSA-N 0 1 324.388 1.848 10 0 DDAEMN Cc1nnc(C(=O)NCc2sccc2Br)[nH]1 ZINC000087576183 185228864 /nfs/dbraw/zinc/22/88/64/185228864.db2.gz MRBLVSXZQCNRIJ-UHFFFAOYSA-N 0 1 301.169 1.867 10 0 DDAEMN O=C([O-])[C@H]1C[N@@H+]([C@@H]2CCCS(=O)(=O)C2)Cc2ccccc21 ZINC000087615784 185229212 /nfs/dbraw/zinc/22/92/12/185229212.db2.gz GTEPQKNKGPYKJC-OCCSQVGLSA-N 0 1 309.387 1.248 10 0 DDAEMN O=C([O-])[C@H]1C[N@H+]([C@@H]2CCCS(=O)(=O)C2)Cc2ccccc21 ZINC000087615784 185229213 /nfs/dbraw/zinc/22/92/13/185229213.db2.gz GTEPQKNKGPYKJC-OCCSQVGLSA-N 0 1 309.387 1.248 10 0 DDAEMN CCCc1[nH]nc(C(=O)N2CCC[C@@H]2CC)c1S(N)(=O)=O ZINC000087898261 185235877 /nfs/dbraw/zinc/23/58/77/185235877.db2.gz RAJWMGHFFLPELC-VIFPVBQESA-N 0 1 314.411 1.024 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(I)cc1 ZINC000088002573 185238044 /nfs/dbraw/zinc/23/80/44/185238044.db2.gz ILYPRAIUIGHONH-SECBINFHSA-N 0 1 320.130 1.203 10 0 DDAEMN CCc1cc(N(C)CC2CCN(CC(=O)NC)CC2)nc(C)n1 ZINC000302028159 529528344 /nfs/dbraw/zinc/52/83/44/529528344.db2.gz ATUYJUJCSFIDOH-UHFFFAOYSA-N 0 1 319.453 1.242 10 0 DDAEMN Nc1cc(NC(=O)CCN2CCCNC(=O)C2)ccc1Cl ZINC000087882583 185234292 /nfs/dbraw/zinc/23/42/92/185234292.db2.gz DFVBINHHUVGWHP-UHFFFAOYSA-N 0 1 310.785 1.073 10 0 DDAEMN CC(C)C(=O)NCCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000158694058 539217374 /nfs/dbraw/zinc/21/73/74/539217374.db2.gz HNDYEVNPZPLWIF-INIZCTEOSA-N 0 1 319.449 1.438 10 0 DDAEMN CCCCS(=O)(=O)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000081974176 192348446 /nfs/dbraw/zinc/34/84/46/192348446.db2.gz ZDPFBTLRJWYXGY-ZDUSSCGKSA-N 0 1 313.419 1.933 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(C)c(Cl)c1)C(C)C ZINC000183651903 539242560 /nfs/dbraw/zinc/24/25/60/539242560.db2.gz DVXDXZWHNLTWSV-CQSZACIVSA-N 0 1 311.813 1.947 10 0 DDAEMN Cc1cc(=O)[n-]c(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000088398309 185248325 /nfs/dbraw/zinc/24/83/25/185248325.db2.gz IDQIZBAIROMSQU-QWHCGFSZSA-N 0 1 305.403 1.101 10 0 DDAEMN Cc1ccc2cccc(NS(=O)(=O)[C@@H](C)C(N)=S)c2n1 ZINC000088489561 185253824 /nfs/dbraw/zinc/25/38/24/185253824.db2.gz DVCUYCFPUUIWHU-VIFPVBQESA-N 0 1 309.416 1.960 10 0 DDAEMN O=S1(=O)C=C[C@H](N[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000088855332 185267259 /nfs/dbraw/zinc/26/72/59/185267259.db2.gz OTAOXAMXDLSDRC-CVEARBPZSA-N 0 1 306.431 1.204 10 0 DDAEMN CCNCc1cn(Cc2c(Br)c(C)nn2C)nn1 ZINC000090296228 185289836 /nfs/dbraw/zinc/28/98/36/185289836.db2.gz YRHBEYVHQYQMBC-UHFFFAOYSA-N 0 1 313.203 1.240 10 0 DDAEMN COCCC[S@@](=O)C[C@@H](N)c1ccc(OC)cc1OC ZINC000081998141 192352726 /nfs/dbraw/zinc/35/27/26/192352726.db2.gz ANIRVTKGNUEVSV-XCLFUZPHSA-N 0 1 301.408 1.489 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000082004574 192353985 /nfs/dbraw/zinc/35/39/85/192353985.db2.gz UMOUKPQWLXZPQX-HZMBPMFUSA-N 0 1 315.391 1.061 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000173579582 198229944 /nfs/dbraw/zinc/22/99/44/198229944.db2.gz RQDXDLUVORBCPJ-LBPRGKRZSA-N 0 1 304.325 1.720 10 0 DDAEMN CCc1nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n[nH]1 ZINC000173737310 198246563 /nfs/dbraw/zinc/24/65/63/198246563.db2.gz HLRHKWQTKCIGPA-GFCCVEGCSA-N 0 1 322.390 1.129 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCOc2ccccc2)C[C@@H]1C ZINC000174301875 198317236 /nfs/dbraw/zinc/31/72/36/198317236.db2.gz OZQGXNFHDILUFF-JKSUJKDBSA-N 0 1 320.433 1.759 10 0 DDAEMN Cn1cc([C@H]2CCN(C(=O)[C@@H]3NCCc4ccccc43)C2)cn1 ZINC000169166132 354251256 /nfs/dbraw/zinc/25/12/56/354251256.db2.gz ISSHXOQUTBRXHS-WMLDXEAASA-N 0 1 310.401 1.623 10 0 DDAEMN COc1ccc([C@@H](O)CC[N@H+]2CCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000075221206 191442657 /nfs/dbraw/zinc/44/26/57/191442657.db2.gz LWWSNPBJGWILDA-KGLIPLIRSA-N 0 1 309.362 1.676 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCCCCC2)n1 ZINC000080868533 192196017 /nfs/dbraw/zinc/19/60/17/192196017.db2.gz IACKDINWPLDCSH-SNVBAGLBSA-N 0 1 318.468 1.956 10 0 DDAEMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000080992350 192210781 /nfs/dbraw/zinc/21/07/81/192210781.db2.gz ANSPERPGZQSASR-LLVKDONJSA-N 0 1 307.375 1.585 10 0 DDAEMN Cn1cc([C@H]2CCC[N@H+]2CC(=O)[N-]OCc2ccccc2)cn1 ZINC000180471706 199162979 /nfs/dbraw/zinc/16/29/79/199162979.db2.gz HZLAXJDKHBUQKU-MRXNPFEDSA-N 0 1 314.389 1.805 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)CCN1C[C@@H](C)O ZINC000181133103 199255317 /nfs/dbraw/zinc/25/53/17/199255317.db2.gz ZSVJJSWUECWTRV-UKRRQHHQSA-N 0 1 306.406 1.618 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000195174088 201352742 /nfs/dbraw/zinc/35/27/42/201352742.db2.gz GOZBVHZIMSCQKI-DLBZAZTESA-N 0 1 320.433 1.727 10 0 DDAEMN CC(C)N[C@](CS[C@H](C)CCO)(C(N)=O)c1ccccc1 ZINC000091267222 193028610 /nfs/dbraw/zinc/02/86/10/193028610.db2.gz ZDLCDCSYRJCBOY-CJNGLKHVSA-N 0 1 310.463 1.869 10 0 DDAEMN O=C([O-])c1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091677967 193090783 /nfs/dbraw/zinc/09/07/83/193090783.db2.gz NHJUDJUIPSLIQD-NXEZZACHSA-N 0 1 310.375 1.039 10 0 DDAEMN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(CN)c2F)C[C@H]1C ZINC000092113635 193161438 /nfs/dbraw/zinc/16/14/38/193161438.db2.gz RJFFPHKEVVFTIH-DTORHVGOSA-N 0 1 304.362 1.700 10 0 DDAEMN C[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081901508 296147847 /nfs/dbraw/zinc/14/78/47/296147847.db2.gz PGXVDLLEGGHQRT-WDEREUQCSA-N 0 1 319.448 1.174 10 0 DDAEMN CCOC(=O)[C@@]1(NC2CC2)CC[C@H](Sc2nnc(C)[nH]2)C1 ZINC000093851942 193318346 /nfs/dbraw/zinc/31/83/46/193318346.db2.gz KCCLAFGKBIHHBY-SMDDNHRTSA-N 0 1 310.423 1.812 10 0 DDAEMN COCc1nc([C@]2(C)CCCO2)[nH]c(=O)c1Br ZINC000094781469 193398104 /nfs/dbraw/zinc/39/81/04/193398104.db2.gz CZYWIVVHVVTZAK-NSHDSACASA-N 0 1 303.156 1.704 10 0 DDAEMN COC(=O)[C@@H]1CS[C@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000022860846 182338090 /nfs/dbraw/zinc/33/80/90/182338090.db2.gz NONQXKSFECDTES-HOCLYGCPSA-N 0 1 306.431 1.857 10 0 DDAEMN COc1cccc([C@@H](Sc2nc(N)cc(=O)[n-]2)[C@@H](C)[NH3+])c1 ZINC000043033092 183331280 /nfs/dbraw/zinc/33/12/80/183331280.db2.gz CCAVDFUAJCXYCO-OQPBUACISA-N 0 1 306.391 1.541 10 0 DDAEMN CC(C)(C)CC(C)(C)NS(=O)(=O)c1cnc(NN)nc1 ZINC000043437566 183363316 /nfs/dbraw/zinc/36/33/16/183363316.db2.gz OEQVHGBGYDHXMV-UHFFFAOYSA-N 0 1 301.416 1.255 10 0 DDAEMN CC(C)(C)[NH+]1CCN(c2nnc(SCC(=O)[O-])s2)CC1 ZINC000044242508 183399381 /nfs/dbraw/zinc/39/93/81/183399381.db2.gz BWLWXOPOBSWXDL-UHFFFAOYSA-N 0 1 316.452 1.635 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1CCOC ZINC000105914602 194168235 /nfs/dbraw/zinc/16/82/35/194168235.db2.gz UERSYIHEFUHJMA-HNNXBMFYSA-N 0 1 323.437 1.281 10 0 DDAEMN CCN1CCN(C(=O)Cc2ccc(C(N)=S)cc2)C[C@@H]1C ZINC000110753086 194356618 /nfs/dbraw/zinc/35/66/18/194356618.db2.gz HLRDUQMHYRJBQJ-LBPRGKRZSA-N 0 1 305.447 1.416 10 0 DDAEMN CCNCc1nnnn1-c1cc(Br)ccc1F ZINC000054745099 183949544 /nfs/dbraw/zinc/94/95/44/183949544.db2.gz RVDXKWWIKUFKJB-UHFFFAOYSA-N 0 1 300.135 1.673 10 0 DDAEMN COCCCN1[C@H](C)CN(C(=O)NC2CCOCC2)C[C@H]1C ZINC000062221228 184223707 /nfs/dbraw/zinc/22/37/07/184223707.db2.gz IPMYMKUVHXRFPE-ZIAGYGMSSA-N 0 1 313.442 1.306 10 0 DDAEMN CSCC[C@H](NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C(=O)[O-] ZINC000062943244 184261749 /nfs/dbraw/zinc/26/17/49/184261749.db2.gz APSLAAJBUYSKBE-NEPJUHHUSA-N 0 1 315.439 1.072 10 0 DDAEMN CS(=O)(=O)CCC[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000062702742 184248129 /nfs/dbraw/zinc/24/81/29/184248129.db2.gz YLBKRUJCQAZDEF-UHFFFAOYSA-N 0 1 322.224 1.679 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000118857334 194936848 /nfs/dbraw/zinc/93/68/48/194936848.db2.gz HEPRPHQXPJPOFJ-WBVHZDCISA-N 0 1 319.449 1.080 10 0 DDAEMN CN(C)c1ncc(NS(=O)(=O)c2ccccc2)c(N(C)C)n1 ZINC000224340937 257233054 /nfs/dbraw/zinc/23/30/54/257233054.db2.gz FMFQSNGVTRWFKI-UHFFFAOYSA-N 0 1 321.406 1.409 10 0 DDAEMN CC(C)[N@@H+](C)[C@@H]1CN(c2ncc(F)cn2)C[C@H]2CCCO[C@H]21 ZINC000503716181 257209998 /nfs/dbraw/zinc/20/99/98/257209998.db2.gz DSCUMUKVCULUBS-BPLDGKMQSA-N 0 1 308.401 1.940 10 0 DDAEMN Cc1nc2c(ncnc2N2CCN(C(=O)c3ccco3)CC2)[nH]1 ZINC000041121335 407005648 /nfs/dbraw/zinc/00/56/48/407005648.db2.gz XDPYIFCYEBSMFO-UHFFFAOYSA-N 0 1 312.333 1.217 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1 ZINC000124029367 407346249 /nfs/dbraw/zinc/34/62/49/407346249.db2.gz WHTUPFRBFZFSEK-ABAIWWIYSA-N 0 1 310.419 1.460 10 0 DDAEMN CCc1nccn1[C@@H]1CCCN(CC(=O)NC2CCOCC2)C1 ZINC000105897940 407357293 /nfs/dbraw/zinc/35/72/93/407357293.db2.gz HNNIRPALMNWZPW-OAHLLOKOSA-N 0 1 320.437 1.378 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)N2CCNCC2)C1 ZINC000253574743 407462403 /nfs/dbraw/zinc/46/24/03/407462403.db2.gz TUHVZXUVDMLADP-GFCCVEGCSA-N 0 1 312.414 1.001 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000170807389 407512434 /nfs/dbraw/zinc/51/24/34/407512434.db2.gz RLKAUJRFMRZDCH-GXTWGEPZSA-N 0 1 303.410 1.041 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000262042633 407722671 /nfs/dbraw/zinc/72/26/71/407722671.db2.gz LMYNZWZKKNHFNJ-AWEZNQCLSA-N 0 1 302.378 1.710 10 0 DDAEMN NC(=O)[C@H](N)c1ccc(Br)c(Br)c1 ZINC000236300360 407725835 /nfs/dbraw/zinc/72/58/35/407725835.db2.gz VNKQBXQAJGCDII-SSDOTTSWSA-N 0 1 307.973 1.697 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000262189596 407763414 /nfs/dbraw/zinc/76/34/14/407763414.db2.gz CDOPSPKYCQZODO-INIZCTEOSA-N 0 1 315.373 1.251 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000262214409 407767408 /nfs/dbraw/zinc/76/74/08/407767408.db2.gz FDXFDQDPXJRHLI-AWEZNQCLSA-N 0 1 319.336 1.603 10 0 DDAEMN CCN(Cc1cccc(Br)c1)C(=O)[C@H](N)COC ZINC000262307003 407791814 /nfs/dbraw/zinc/79/18/14/407791814.db2.gz OOAAQDVWNWKOPU-GFCCVEGCSA-N 0 1 315.211 1.771 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000262364037 407811373 /nfs/dbraw/zinc/81/13/73/407811373.db2.gz VWSSRJAIAWAYCK-SWLSCSKDSA-N 0 1 309.385 1.005 10 0 DDAEMN CC(C)n1cnc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000153651871 407870733 /nfs/dbraw/zinc/87/07/33/407870733.db2.gz MKWBZDDWMUPUDC-STQMWFEESA-N 0 1 314.455 1.471 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262693854 407902398 /nfs/dbraw/zinc/90/23/98/407902398.db2.gz AWLZICCGYYGQBS-AXTSPUMRSA-N 0 1 310.316 1.485 10 0 DDAEMN Cn1cccc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262713243 407907827 /nfs/dbraw/zinc/90/78/27/407907827.db2.gz MIFLFGVXTBAUQQ-UHFFFAOYSA-N 0 1 305.378 1.083 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCC2CCCC2)CCO1 ZINC000262893431 407963254 /nfs/dbraw/zinc/96/32/54/407963254.db2.gz HFSXWPYNEJKYQR-AWEZNQCLSA-N 0 1 312.410 1.201 10 0 DDAEMN CCc1cc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)[nH]n1 ZINC000262781550 407928125 /nfs/dbraw/zinc/92/81/25/407928125.db2.gz JANAPAZXWNJFDY-UHFFFAOYSA-N 0 1 320.393 1.030 10 0 DDAEMN Cn1c2ccccc2sc1=NC(=O)c1n[nH]c2c1CNCC2 ZINC000262797584 407935938 /nfs/dbraw/zinc/93/59/38/407935938.db2.gz PVFZLHZHGUMBKS-ICFOKQHNSA-N 0 1 313.386 1.350 10 0 DDAEMN COc1ccccc1NCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174355146 407937444 /nfs/dbraw/zinc/93/74/44/407937444.db2.gz COCKZZPQBZALME-ZIAGYGMSSA-N 0 1 321.421 1.021 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccccc2)C1 ZINC000263120956 408030913 /nfs/dbraw/zinc/03/09/13/408030913.db2.gz XYMCLIFFYJXRHV-UHFFFAOYSA-N 0 1 305.378 1.423 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nnc[nH]2)C1 ZINC000181364377 407985712 /nfs/dbraw/zinc/98/57/12/407985712.db2.gz BCMGGNJHJPIKLT-STQMWFEESA-N 0 1 319.409 1.507 10 0 DDAEMN CC[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)CCN1C[C@H](C)O ZINC000245473451 407997525 /nfs/dbraw/zinc/99/75/25/407997525.db2.gz PZVUARVWPLVTQB-YNEHKIRRSA-N 0 1 312.414 1.054 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(OC)CCC2)CCN1C[C@@H](C)O ZINC000182157965 408082210 /nfs/dbraw/zinc/08/22/10/408082210.db2.gz OPZLEJJWHMZUEN-KGLIPLIRSA-N 0 1 313.442 1.042 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000263455442 408143091 /nfs/dbraw/zinc/14/30/91/408143091.db2.gz HFFBLYYBAJSUNT-IWMBGFJWSA-N 0 1 311.426 1.611 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)CC2(C)C)C1 ZINC000263504186 408158424 /nfs/dbraw/zinc/15/84/24/408158424.db2.gz WMZSDEJVQRLOPY-HIFPTAJRSA-N 0 1 311.426 1.754 10 0 DDAEMN CCCc1nc(CN2CCN(CCOCC)[C@@H](CC)C2)no1 ZINC000246310782 408215917 /nfs/dbraw/zinc/21/59/17/408215917.db2.gz ALPATKPVSZEHMW-AWEZNQCLSA-N 0 1 310.442 1.955 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC2CC2)C1 ZINC000190689433 408302268 /nfs/dbraw/zinc/30/22/68/408302268.db2.gz MATIZSBQLJINSO-MRXNPFEDSA-N 0 1 302.422 1.955 10 0 DDAEMN O=C(CN1CC[C@H](CNc2ccccn2)C1)NC1CCOCC1 ZINC000171138929 162206639 /nfs/dbraw/zinc/20/66/39/162206639.db2.gz GEJOHFLJRNEBCU-CQSZACIVSA-N 0 1 318.421 1.111 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1c(F)cccc1F ZINC000171645556 162233083 /nfs/dbraw/zinc/23/30/83/162233083.db2.gz CJAJIJWJNPUTAK-QWRGUYRKSA-N 0 1 313.348 1.212 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)c3c(F)cccc3F)CCO2)n[nH]1 ZINC000246995140 408379991 /nfs/dbraw/zinc/37/99/91/408379991.db2.gz NOQNHGFQBBABSP-OLZOCXBDSA-N 0 1 324.331 1.498 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247229647 408434003 /nfs/dbraw/zinc/43/40/03/408434003.db2.gz RDLORTKGUPYTCR-LSDHHAIUSA-N 0 1 307.442 1.685 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2ccc(C)cc2)C[C@@H]1C ZINC000247227296 408434324 /nfs/dbraw/zinc/43/43/24/408434324.db2.gz RACAEAXQIUUBFV-DLBZAZTESA-N 0 1 322.449 1.387 10 0 DDAEMN Cc1nc(C)c(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000176951611 408482688 /nfs/dbraw/zinc/48/26/88/408482688.db2.gz AIOKVVJJVDZABP-CABZTGNLSA-N 0 1 317.480 1.767 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3nc(C)c(C)s3)CCO2)n[nH]1 ZINC000176971749 408487216 /nfs/dbraw/zinc/48/72/16/408487216.db2.gz QSFCGUYDBGDSFS-SNVBAGLBSA-N 0 1 322.394 1.792 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000247399059 408465723 /nfs/dbraw/zinc/46/57/23/408465723.db2.gz YESMQCGPKUTSEJ-GDBMZVCRSA-N 0 1 313.486 1.722 10 0 DDAEMN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@H]3CCCC[C@H]32)C1 ZINC000247407300 408466984 /nfs/dbraw/zinc/46/69/84/408466984.db2.gz YFHQVCOAGRPLFR-KFWWJZLASA-N 0 1 316.467 1.301 10 0 DDAEMN CCc1cc(C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)n[nH]1 ZINC000191716326 408474577 /nfs/dbraw/zinc/47/45/77/408474577.db2.gz GGSKEVORIBZNDJ-CQSZACIVSA-N 0 1 303.366 1.402 10 0 DDAEMN CC(C)(O)CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183738210 408478272 /nfs/dbraw/zinc/47/82/72/408478272.db2.gz KIZHWMUTSMNUMR-ZDUSSCGKSA-N 0 1 304.456 1.084 10 0 DDAEMN C[C@H](C(=O)NCCc1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000248368430 408552904 /nfs/dbraw/zinc/55/29/04/408552904.db2.gz VEMPWWGTMJCYCK-CABCVRRESA-N 0 1 321.490 1.965 10 0 DDAEMN CC[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)CCN1C[C@@H](C)O ZINC000248546183 408584628 /nfs/dbraw/zinc/58/46/28/408584628.db2.gz DRKQLJXZHWYOBU-QRQLOZEOSA-N 0 1 320.477 1.757 10 0 DDAEMN CCN(CC(=O)N[C@H]1CCO[C@@H]1c1ccc(OC)nc1)C1CC1 ZINC000275410960 408588061 /nfs/dbraw/zinc/58/80/61/408588061.db2.gz OEBLIUROTHFXQV-WMLDXEAASA-N 0 1 319.405 1.521 10 0 DDAEMN CC(C)COc1cncc(N2CCN(C[C@@H](C)O)C[C@H]2C)n1 ZINC000192800740 408652847 /nfs/dbraw/zinc/65/28/47/408652847.db2.gz YYNDZTLMNYJPHU-ZIAGYGMSSA-N 0 1 308.426 1.403 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2c(C)noc2C)CCN1C[C@@H](C)O ZINC000184961403 408727914 /nfs/dbraw/zinc/72/79/14/408727914.db2.gz AELSGQILVBYJRE-BXUZGUMPSA-N 0 1 324.425 1.278 10 0 DDAEMN Cc1cc(=O)n(C)cc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000162835872 408738652 /nfs/dbraw/zinc/73/86/52/408738652.db2.gz VROSHLKDRVWZOH-CYBMUJFWSA-N 0 1 304.394 1.396 10 0 DDAEMN O=C1OCC[C@H]1CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177664528 408680184 /nfs/dbraw/zinc/68/01/84/408680184.db2.gz ZBEKURCHFGQDJN-SJORKVTESA-N 0 1 318.417 1.291 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](C(=O)NCCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000253412504 408814576 /nfs/dbraw/zinc/81/45/76/408814576.db2.gz REXJSBABEUICNH-LSDHHAIUSA-N 0 1 304.390 1.386 10 0 DDAEMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@H]1CNC(=O)C1 ZINC000194875589 408803937 /nfs/dbraw/zinc/80/39/37/408803937.db2.gz RMTZWEFIHRSBPY-SECBINFHSA-N 0 1 310.313 1.898 10 0 DDAEMN CCOc1ncccc1NC(=O)C(=O)N[C@H]1CCCN(CC)C1 ZINC000194156095 408768840 /nfs/dbraw/zinc/76/88/40/408768840.db2.gz PDQKSPUCUOIUTE-LBPRGKRZSA-N 0 1 320.393 1.019 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000194156760 408768963 /nfs/dbraw/zinc/76/89/63/408768963.db2.gz FRFMEXWUOXQXCK-HNNXBMFYSA-N 0 1 319.405 1.372 10 0 DDAEMN CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185180408 408774803 /nfs/dbraw/zinc/77/48/03/408774803.db2.gz SKGLAFFGFSMBLL-CHWSQXEVSA-N 0 1 310.419 1.388 10 0 DDAEMN CN(C)C(=O)Sc1ccc(CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185180408 408774805 /nfs/dbraw/zinc/77/48/05/408774805.db2.gz SKGLAFFGFSMBLL-CHWSQXEVSA-N 0 1 310.419 1.388 10 0 DDAEMN C[C@H]1C(=O)NCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000188907358 163076821 /nfs/dbraw/zinc/07/68/21/163076821.db2.gz JKPPTYZQVHAWPX-VIFPVBQESA-N 0 1 304.375 1.489 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cccc(F)c2)C1 ZINC000262756978 163874435 /nfs/dbraw/zinc/87/44/35/163874435.db2.gz ZACSCPCZEJXNOI-UHFFFAOYSA-N 0 1 320.364 1.883 10 0 DDAEMN CC(C)n1cc([C@]2(O)CCCN(Cc3cccn3C)C2)nn1 ZINC000285400593 409430388 /nfs/dbraw/zinc/43/03/88/409430388.db2.gz GBGLITOUTWWBCS-INIZCTEOSA-N 0 1 303.410 1.681 10 0 DDAEMN COC(=O)c1ccc(CNc2cc(-n3cccn3)nc(N)n2)o1 ZINC000302735299 410854921 /nfs/dbraw/zinc/85/49/21/410854921.db2.gz WGOSFCROZNZQKR-UHFFFAOYSA-N 0 1 314.305 1.236 10 0 DDAEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)n(C)n1 ZINC000132436251 196256029 /nfs/dbraw/zinc/25/60/29/196256029.db2.gz YDJSKYLFEXEBAB-CYBMUJFWSA-N 0 1 321.425 1.446 10 0 DDAEMN CC(C)(C)/C=C/C(=O)N1CCC[C@@H](c2[nH]ncc2C(N)=O)C1 ZINC000375629206 418665894 /nfs/dbraw/zinc/66/58/94/418665894.db2.gz GSYUFTFDEOWPRD-XUIVZRPNSA-N 0 1 304.394 1.817 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(c3ccncc3C(N)=O)C2)n1 ZINC000302016207 230037012 /nfs/dbraw/zinc/03/70/12/230037012.db2.gz FQEVANKLQGORDH-CYBMUJFWSA-N 0 1 314.393 1.305 10 0 DDAEMN CC1CCC(OCC(=O)N2CCC[C@](O)(c3c[nH]nn3)C2)CC1 ZINC000583617725 422202307 /nfs/dbraw/zinc/20/23/07/422202307.db2.gz JKZCEQIBRRXHGF-SEEARECTSA-N 0 1 322.409 1.210 10 0 DDAEMN Cc1cnn(CCN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000583617930 422203583 /nfs/dbraw/zinc/20/35/83/422203583.db2.gz KUAGVWBUEGGWGV-INIZCTEOSA-N 0 1 318.425 1.348 10 0 DDAEMN COCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630652891 422242045 /nfs/dbraw/zinc/24/20/45/422242045.db2.gz ZNXYBDITESLHEI-HUUCEWRRSA-N 0 1 320.389 1.257 10 0 DDAEMN COCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630652891 422242051 /nfs/dbraw/zinc/24/20/51/422242051.db2.gz ZNXYBDITESLHEI-HUUCEWRRSA-N 0 1 320.389 1.257 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2c[nH]nn2)CC1 ZINC000616596535 422512896 /nfs/dbraw/zinc/51/28/96/422512896.db2.gz ZNSZJMBQXGAQQU-GFCCVEGCSA-N 0 1 311.386 1.093 10 0 DDAEMN O[C@@H]1CN(CCCc2c(F)cccc2F)C[C@H]1n1ccnn1 ZINC000639743289 423701220 /nfs/dbraw/zinc/70/12/20/423701220.db2.gz ZGOMXLFVAPCPFM-HUUCEWRRSA-N 0 1 308.332 1.407 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnc3cccc(C)n23)C1 ZINC000263525240 276087354 /nfs/dbraw/zinc/08/73/54/276087354.db2.gz SYBVAUWAKHTYDN-UHFFFAOYSA-N 0 1 316.405 1.670 10 0 DDAEMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247237503 278205142 /nfs/dbraw/zinc/20/51/42/278205142.db2.gz XOXUQWWIXXIEBZ-ODZFXCKXSA-N 0 1 323.481 1.476 10 0 DDAEMN CCOc1ccccc1NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000105933209 281051627 /nfs/dbraw/zinc/05/16/27/281051627.db2.gz NVFUNWBKPCWOGC-UONOGXRCSA-N 0 1 321.421 1.333 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC[C@@H]1CCOC1=O ZINC000120769809 281124916 /nfs/dbraw/zinc/12/49/16/281124916.db2.gz OFAPXQAJESDPNM-OLZOCXBDSA-N 0 1 312.410 1.929 10 0 DDAEMN CC[C@H]1CN(Cc2nc(CCC(C)C)no2)CCN1C[C@H](C)O ZINC000247404244 281171633 /nfs/dbraw/zinc/17/16/33/281171633.db2.gz YVCOTOGEDKLOEG-GJZGRUSLSA-N 0 1 324.469 1.935 10 0 DDAEMN CN(C)CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248620055 282058246 /nfs/dbraw/zinc/05/82/46/282058246.db2.gz MUPGBKKASSMMAA-YNEHKIRRSA-N 0 1 311.426 1.310 10 0 DDAEMN Cc1cccnc1C[C@H](C)N(C)C(=O)NCCCc1nn[nH]n1 ZINC000534585412 334291729 /nfs/dbraw/zinc/29/17/29/334291729.db2.gz WWKANXPRVRSXSO-LBPRGKRZSA-N 0 1 317.397 1.108 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccnn2C)n[nH]1 ZINC000328745011 534552721 /nfs/dbraw/zinc/55/27/21/534552721.db2.gz PDHUHLUUVCGRIA-ZDUSSCGKSA-N 0 1 302.382 1.533 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000174083840 697384063 /nfs/dbraw/zinc/38/40/63/697384063.db2.gz BPCKCKMNVZXZDW-HZPDHXFCSA-N 0 1 312.841 1.762 10 0 DDAEMN CCN(CC)c1nc(C)cc(C(=O)N[C@H]2CN3CCC2CC3)n1 ZINC000222567289 697758133 /nfs/dbraw/zinc/75/81/33/697758133.db2.gz CWHGCMUSJZMYNQ-HNNXBMFYSA-N 0 1 317.437 1.455 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)c3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000246874560 698356604 /nfs/dbraw/zinc/35/66/04/698356604.db2.gz GHFYFLTYURUTER-HZPDHXFCSA-N 0 1 316.405 1.837 10 0 DDAEMN CCOC1CC(CC(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)C1 ZINC000249160865 698388496 /nfs/dbraw/zinc/38/84/96/698388496.db2.gz ZSWCFJIZISYTSX-JWMHWRSXSA-N 0 1 312.454 1.495 10 0 DDAEMN C[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@H]1CCCO1 ZINC000261946461 698446593 /nfs/dbraw/zinc/44/65/93/698446593.db2.gz MIUUGRWJDHWUIJ-DIOULYMOSA-N 0 1 301.390 1.721 10 0 DDAEMN C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H]1CCCO1 ZINC000261946480 698446660 /nfs/dbraw/zinc/44/66/60/698446660.db2.gz MIUUGRWJDHWUIJ-PJODQICGSA-N 0 1 301.390 1.721 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000262708853 698478301 /nfs/dbraw/zinc/47/83/01/698478301.db2.gz KRESHPINVCNCQU-UHFFFAOYSA-N 0 1 318.373 1.557 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000262875648 698483235 /nfs/dbraw/zinc/48/32/35/698483235.db2.gz DOMXGPOCYFJHIL-MRXNPFEDSA-N 0 1 316.401 1.724 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262917415 698484493 /nfs/dbraw/zinc/48/44/93/698484493.db2.gz GMCIPFCGDFXNFA-LNFKQOIKSA-N 0 1 324.343 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC(C)(C)CCOC)C1 ZINC000263460025 698508090 /nfs/dbraw/zinc/50/80/90/698508090.db2.gz IMVLCUOFBHXNJK-UHFFFAOYSA-N 0 1 315.414 1.038 10 0 DDAEMN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H]1c1nn[nH]n1 ZINC000720619653 699306556 /nfs/dbraw/zinc/30/65/56/699306556.db2.gz VWINTFDHRXRKOX-ZETCQYMHSA-N 0 1 313.148 1.879 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 ZINC000886097075 708697652 /nfs/dbraw/zinc/69/76/52/708697652.db2.gz MCNCGHLUNXBAHH-AWEZNQCLSA-N 0 1 312.377 1.497 10 0 DDAEMN COc1cc(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc2c1OCO2 ZINC000888077121 709209660 /nfs/dbraw/zinc/20/96/60/709209660.db2.gz LQUKQBANLTYEBM-YWPYICTPSA-N 0 1 317.345 1.085 10 0 DDAEMN C[S@](=N)(=O)c1ccc(NC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000910486725 709968630 /nfs/dbraw/zinc/96/86/30/709968630.db2.gz PJJYOJONGZWHMP-HXZRUIPCSA-N 0 1 323.418 1.524 10 0 DDAEMN Cc1csc(N2CCN(c3nc(C)cc(N)n3)C[C@@H]2C)n1 ZINC000892352932 710421797 /nfs/dbraw/zinc/42/17/97/710421797.db2.gz QSWGREVNXHMEQD-NSHDSACASA-N 0 1 304.423 1.847 10 0 DDAEMN CC(C)(C)c1ccc(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000074731512 185013703 /nfs/dbraw/zinc/01/37/03/185013703.db2.gz HSSWOCGCYHZIQP-UHFFFAOYSA-N 0 1 301.346 1.542 10 0 DDAEMN CCN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCS(=O)(=O)C1 ZINC000074732398 185014367 /nfs/dbraw/zinc/01/43/67/185014367.db2.gz JBZLKHHVULBKEJ-JTQLQIEISA-N 0 1 307.375 1.212 10 0 DDAEMN CCc1c(NC(=O)[C@H]2C[C@@H]2C(=O)OC)[nH]nc1-c1ccncc1 ZINC000076880061 185048474 /nfs/dbraw/zinc/04/84/74/185048474.db2.gz DEVOJDMLXOKJTO-RYUDHWBXSA-N 0 1 314.345 1.782 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)Nc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000081906317 192337589 /nfs/dbraw/zinc/33/75/89/192337589.db2.gz AIJRKSDRMZVUEJ-VIFPVBQESA-N 0 1 312.391 1.504 10 0 DDAEMN Cn1cccc1[C@H](O)CNS(=O)(=O)c1c(F)cccc1F ZINC000077101804 185108475 /nfs/dbraw/zinc/10/84/75/185108475.db2.gz IDLFWECYBPIVIS-GFCCVEGCSA-N 0 1 316.329 1.315 10 0 DDAEMN CCCOc1ccc([C@H](N)CS(=O)(=O)CCOC)cc1 ZINC000081944222 192344982 /nfs/dbraw/zinc/34/49/82/192344982.db2.gz INQJNRHVCKPGQA-CQSZACIVSA-N 0 1 301.408 1.536 10 0 DDAEMN CCc1ccc([C@H](CS(=O)(=O)CCC(=O)OC)NC)cc1 ZINC000081975383 192347429 /nfs/dbraw/zinc/34/74/29/192347429.db2.gz ACJFNKVFKBZJBK-AWEZNQCLSA-N 0 1 313.419 1.487 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000081977614 192347671 /nfs/dbraw/zinc/34/76/71/192347671.db2.gz LWSOCYBMIZEMBO-YGRLFVJLSA-N 0 1 315.391 1.061 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1[C@@H]1CCC(=O)NC1 ZINC000087837596 185233144 /nfs/dbraw/zinc/23/31/44/185233144.db2.gz ZKEXOZATHLILMJ-MRVPVSSYSA-N 0 1 309.167 1.832 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000088544396 185256786 /nfs/dbraw/zinc/25/67/86/185256786.db2.gz UZICCVRTLBIZTF-STQMWFEESA-N 0 1 314.407 1.331 10 0 DDAEMN CC(C)COCCCNCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539976 185255737 /nfs/dbraw/zinc/25/57/37/185255737.db2.gz PKHLUZPHUOBNAO-UHFFFAOYSA-N 0 1 318.439 1.682 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCC(OC)CC2)o1 ZINC000088543762 185256565 /nfs/dbraw/zinc/25/65/65/185256565.db2.gz PADSMKYTKRRVJX-UHFFFAOYSA-N 0 1 302.396 1.189 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](NC)c1ccc(CC)cc1 ZINC000081978017 192348711 /nfs/dbraw/zinc/34/87/11/192348711.db2.gz XZWRCWUTVVEBIK-AWEZNQCLSA-N 0 1 313.419 1.487 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1ncc(Cl)cc1Cl ZINC000088673102 185262093 /nfs/dbraw/zinc/26/20/93/185262093.db2.gz CPQHSDCCQXXWGP-SNVBAGLBSA-N 0 1 304.177 1.730 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1ncccc1C(F)(F)F ZINC000088673278 185262258 /nfs/dbraw/zinc/26/22/58/185262258.db2.gz HEWHXGWKUHXAMY-SNVBAGLBSA-N 0 1 303.284 1.442 10 0 DDAEMN O=S1(=O)CC[C@H](N[C@H]2CCC[C@@H](O)C2)c2cc(F)ccc21 ZINC000224134819 539265988 /nfs/dbraw/zinc/26/59/88/539265988.db2.gz PZFODQOGVDIKOG-SCRDCRAPSA-N 0 1 313.394 1.937 10 0 DDAEMN CCOCCN1CCN(CCO[C@H]2CCCCO2)C[C@H]1C ZINC000253355130 282215300 /nfs/dbraw/zinc/21/53/00/282215300.db2.gz LKFABCYBTZSWMC-CVEARBPZSA-N 0 1 300.443 1.572 10 0 DDAEMN CCOc1ccc([C@H](N)CS(=O)(=O)C2CCOCC2)cc1 ZINC000081990393 192350546 /nfs/dbraw/zinc/35/05/46/192350546.db2.gz MSZVFOMYDYXVTN-OAHLLOKOSA-N 0 1 313.419 1.679 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(CO)cs1 ZINC000088895157 185270027 /nfs/dbraw/zinc/27/00/27/185270027.db2.gz WDNGRSSHZUUQRQ-UHFFFAOYSA-N 0 1 306.453 1.203 10 0 DDAEMN CCN1CCN(c2nc(Br)cn3ccnc23)CC1 ZINC000082060938 192353121 /nfs/dbraw/zinc/35/31/21/192353121.db2.gz VUUDRLBDKIHLCW-UHFFFAOYSA-N 0 1 310.199 1.634 10 0 DDAEMN C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389460 185294157 /nfs/dbraw/zinc/29/41/57/185294157.db2.gz SSUOLKNVPHIOLD-NWDGAFQWSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389460 185294158 /nfs/dbraw/zinc/29/41/58/185294158.db2.gz SSUOLKNVPHIOLD-NWDGAFQWSA-N 0 1 312.753 1.310 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000092661529 185331871 /nfs/dbraw/zinc/33/18/71/185331871.db2.gz TWQOPPVVDRHPPU-RYUDHWBXSA-N 0 1 315.439 1.025 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622682 185329733 /nfs/dbraw/zinc/32/97/33/185329733.db2.gz QUYISMJAOBAGEM-ZDUSSCGKSA-N 0 1 315.414 1.513 10 0 DDAEMN CCc1nc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)n[nH]1 ZINC000181691507 199339231 /nfs/dbraw/zinc/33/92/31/199339231.db2.gz MMFXCQINOZQHQA-CYBMUJFWSA-N 0 1 303.414 1.488 10 0 DDAEMN CC[NH+]1CCN(C(=O)N2[C@H](C(=O)[O-])CS[C@H]2C(C)C)CC1 ZINC000111428714 185599215 /nfs/dbraw/zinc/59/92/15/185599215.db2.gz VCYNUMFJAGWWNX-RYUDHWBXSA-N 0 1 315.439 1.228 10 0 DDAEMN COCCN1CCN(Cc2cc(C(=O)OC)ccc2F)C[C@@H]1C ZINC000181924188 199365200 /nfs/dbraw/zinc/36/52/00/199365200.db2.gz ACQZHBRSPIXDPJ-ZDUSSCGKSA-N 0 1 324.396 1.765 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@@H](c2c[nH]nn2)C1 ZINC000616628320 362763629 /nfs/dbraw/zinc/76/36/29/362763629.db2.gz FHVOIVALRZPACR-GFCCVEGCSA-N 0 1 306.391 1.763 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@@H](c2cnn[nH]2)C1 ZINC000616628320 362763633 /nfs/dbraw/zinc/76/36/33/362763633.db2.gz FHVOIVALRZPACR-GFCCVEGCSA-N 0 1 306.391 1.763 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2cccc(N)n2)C1 ZINC000616634131 362765007 /nfs/dbraw/zinc/76/50/07/362765007.db2.gz MBNTXQKJONSQST-ZDUSSCGKSA-N 0 1 321.425 1.135 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccco2)C[C@@H]1CC ZINC000172045927 198030124 /nfs/dbraw/zinc/03/01/24/198030124.db2.gz TXHWABFBJFWMKQ-AWEZNQCLSA-N 0 1 309.410 1.922 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@@H]1C ZINC000174301153 198317114 /nfs/dbraw/zinc/31/71/14/198317114.db2.gz CVCCIHRSZIXAEX-UONOGXRCSA-N 0 1 308.397 1.672 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccccc2)CCN1C[C@@H](C)O ZINC000174590102 198356711 /nfs/dbraw/zinc/35/67/11/198356711.db2.gz MIGFACZWTHEPGO-WBVHZDCISA-N 0 1 304.434 1.923 10 0 DDAEMN COC(=O)[C@H]1Cc2nc[nH]c2[C@@H](c2cccc(Cl)c2F)N1 ZINC000168356945 354250400 /nfs/dbraw/zinc/25/04/00/354250400.db2.gz HLOPSGPRMGMMRU-ZYHUDNBSSA-N 0 1 309.728 1.979 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)C2CCOCC2)n1 ZINC000080868218 192197395 /nfs/dbraw/zinc/19/73/95/192197395.db2.gz DEOVXBAUMFHIAN-QMMMGPOBSA-N 0 1 305.425 1.344 10 0 DDAEMN CC(C)NCc1nc(N2CCn3cnnc3C2)ccc1Cl ZINC000081542550 192287260 /nfs/dbraw/zinc/28/72/60/192287260.db2.gz WQZCEARVXPVLGW-UHFFFAOYSA-N 0 1 306.801 1.845 10 0 DDAEMN CCc1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc1CC ZINC000236984868 202108469 /nfs/dbraw/zinc/10/84/69/202108469.db2.gz SBKBZCSJKLBQKB-CQSZACIVSA-N 0 1 312.435 1.512 10 0 DDAEMN c1ncn([C@@H]2CCCN(Cc3c[nH]nc3-c3cccnc3)C2)n1 ZINC000179469929 199041566 /nfs/dbraw/zinc/04/15/66/199041566.db2.gz LVDNUBSREZBLLO-OAHLLOKOSA-N 0 1 309.377 1.900 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3nncs3)CC2)CCO1 ZINC000193436007 201051833 /nfs/dbraw/zinc/05/18/33/201051833.db2.gz TYQTWURUUSEEPC-SNVBAGLBSA-N 0 1 311.411 1.255 10 0 DDAEMN CC(=O)Nc1cc2[nH]c(=O)n3c2c(c1)CN(CC1CC1)[C@@H](C)C3 ZINC000006495319 181345551 /nfs/dbraw/zinc/34/55/51/181345551.db2.gz PVEYDAMCKPXQBK-JTQLQIEISA-N 0 1 314.389 1.902 10 0 DDAEMN CS(=O)(=O)c1ccc2[nH]c(-c3csc(CN)n3)nc2c1 ZINC000090932852 192954168 /nfs/dbraw/zinc/95/41/68/192954168.db2.gz YGIKIVVICUYPDQ-UHFFFAOYSA-N 0 1 308.388 1.549 10 0 DDAEMN CSCC[C@H](NC(=O)c1csc([C@H](C)[NH3+])n1)C(=O)[O-] ZINC000090951334 192963459 /nfs/dbraw/zinc/96/34/59/192963459.db2.gz XTIYMYXNVJVLTK-BQBZGAKWSA-N 0 1 303.409 1.099 10 0 DDAEMN CC(C)N[C@@](CSC[C@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258886 193028532 /nfs/dbraw/zinc/02/85/32/193028532.db2.gz DLQHBHLOYLFSDH-CZUORRHYSA-N 0 1 310.463 1.727 10 0 DDAEMN O=C([O-])C=Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)s1 ZINC000091756146 193102981 /nfs/dbraw/zinc/10/29/81/193102981.db2.gz HGKDYDFTPVTCPR-HMDXOVGESA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([O-])C=Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)s1 ZINC000091756146 193102983 /nfs/dbraw/zinc/10/29/83/193102983.db2.gz HGKDYDFTPVTCPR-HMDXOVGESA-N 0 1 307.375 1.055 10 0 DDAEMN O=C(N[C@@H]1COc2ccccc2C1)N1CCN2CCCC[C@H]2C1 ZINC000246562856 284133569 /nfs/dbraw/zinc/13/35/69/284133569.db2.gz ZMZHAFMNDKKUFF-HOTGVXAUSA-N 0 1 315.417 1.870 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262517868 203316911 /nfs/dbraw/zinc/31/69/11/203316911.db2.gz KKQXFMZFGJIZER-HZSPNIEDSA-N 0 1 324.446 1.541 10 0 DDAEMN CC(C)N1CCC(O)([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094639144 193387903 /nfs/dbraw/zinc/38/79/03/193387903.db2.gz PPOMHQUPDDHNEG-KGLIPLIRSA-N 0 1 303.468 1.825 10 0 DDAEMN CC(C)[C@@H]1CN2CCCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094433327 193370306 /nfs/dbraw/zinc/37/03/06/193370306.db2.gz WFQNXEXJCODANL-CVEARBPZSA-N 0 1 314.495 1.758 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1N ZINC000094457279 193371329 /nfs/dbraw/zinc/37/13/29/193371329.db2.gz CVIPJHZHAGTWFI-CMPLNLGQSA-N 0 1 313.398 1.265 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000094789358 193398750 /nfs/dbraw/zinc/39/87/50/193398750.db2.gz RSROSRPKXHUTGW-IUODEOHRSA-N 0 1 313.467 1.155 10 0 DDAEMN CC(C)[N@H+](C)CCCC[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000041678833 183215936 /nfs/dbraw/zinc/21/59/36/183215936.db2.gz MASMJCPKYHWSJD-UHFFFAOYSA-N 0 1 322.862 1.472 10 0 DDAEMN CC(C)[N@@H+](C)CCCC[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000041678833 183215937 /nfs/dbraw/zinc/21/59/37/183215937.db2.gz MASMJCPKYHWSJD-UHFFFAOYSA-N 0 1 322.862 1.472 10 0 DDAEMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CNCCO1 ZINC000043800922 183386426 /nfs/dbraw/zinc/38/64/26/183386426.db2.gz BISWROGKCRTAHX-LLVKDONJSA-N 0 1 312.391 1.414 10 0 DDAEMN O=C1C[C@@H](NCc2cccc(Br)c2)C(=O)N1C1CC1 ZINC000104945803 194055476 /nfs/dbraw/zinc/05/54/76/194055476.db2.gz YIAJHWSBPPUJIK-GFCCVEGCSA-N 0 1 323.190 1.829 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C ZINC000105824223 194139025 /nfs/dbraw/zinc/13/90/25/194139025.db2.gz SMPRKRXQBBVPQQ-LSDHHAIUSA-N 0 1 323.481 1.307 10 0 DDAEMN c1cnn(CCCCCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105890970 194158577 /nfs/dbraw/zinc/15/85/77/194158577.db2.gz XZVXGHIQSVITFG-MRXNPFEDSA-N 0 1 303.410 1.651 10 0 DDAEMN CCCCCNC(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105920030 194171704 /nfs/dbraw/zinc/17/17/04/194171704.db2.gz RXHXRPQKZLQXSZ-INIZCTEOSA-N 0 1 321.469 1.913 10 0 DDAEMN CN(Cc1ccco1)C(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105920245 194170366 /nfs/dbraw/zinc/17/03/66/194170366.db2.gz SCZYCGPVICXLKS-UHFFFAOYSA-N 0 1 316.405 1.847 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCn1cccn1 ZINC000106430647 194213653 /nfs/dbraw/zinc/21/36/53/194213653.db2.gz CXCJEAGDAQEEOB-MRXNPFEDSA-N 0 1 300.406 1.562 10 0 DDAEMN Nc1ccc2nc(SCC(=O)NCC(F)(F)F)[nH]c2c1 ZINC000049310393 183724925 /nfs/dbraw/zinc/72/49/25/183724925.db2.gz YCFFJPHYRKAZAR-UHFFFAOYSA-N 0 1 304.297 1.916 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000109460971 194265721 /nfs/dbraw/zinc/26/57/21/194265721.db2.gz JAWUIKRQOYYPKG-AWEZNQCLSA-N 0 1 305.447 1.818 10 0 DDAEMN CC[C@@H](NS(=O)(=O)c1cnc(NN)nc1)C1CCCCC1 ZINC000052343994 183858423 /nfs/dbraw/zinc/85/84/23/183858423.db2.gz RHZOREIDFUFSFA-GFCCVEGCSA-N 0 1 313.427 1.399 10 0 DDAEMN CCn1cc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c(N)n1 ZINC000061093389 184161796 /nfs/dbraw/zinc/16/17/96/184161796.db2.gz MMHGRZMPHMPTGQ-UHFFFAOYSA-N 0 1 320.296 1.703 10 0 DDAEMN Nc1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)ccn1 ZINC000061123032 184162634 /nfs/dbraw/zinc/16/26/34/184162634.db2.gz PXQPHSUABVOWMH-UHFFFAOYSA-N 0 1 303.265 1.882 10 0 DDAEMN Cc1ccsc1/C=C/C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061144980 184163249 /nfs/dbraw/zinc/16/32/49/184163249.db2.gz HNBGCYYRBNDEDF-ONEGZZNKSA-N 0 1 308.403 1.689 10 0 DDAEMN CCCn1c(SCCC[C@@](C)(N)C(=O)OCC)n[nH]c1=O ZINC000061608014 184178163 /nfs/dbraw/zinc/17/81/63/184178163.db2.gz VYKSUKDGDFURIC-CYBMUJFWSA-N 0 1 316.427 1.134 10 0 DDAEMN C[C@@H](O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655572 184180944 /nfs/dbraw/zinc/18/09/44/184180944.db2.gz WSKIWWXRSRHNRH-TZMCWYRMSA-N 0 1 312.435 1.455 10 0 DDAEMN COCCCN(C)[C@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000062031589 184202321 /nfs/dbraw/zinc/20/23/21/184202321.db2.gz RLFDLDBFZKQJSY-LLVKDONJSA-N 0 1 309.435 1.616 10 0 DDAEMN CCCNc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)ccn1 ZINC000062984613 184264697 /nfs/dbraw/zinc/26/46/97/184264697.db2.gz VPIGBYXOWOBBTC-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN COC(=O)c1ccccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000156661283 197131453 /nfs/dbraw/zinc/13/14/53/197131453.db2.gz WQKHTAIWSQGHTA-AWEZNQCLSA-N 0 1 314.389 1.977 10 0 DDAEMN COc1coc(CN2CCCC[C@H]2c2n[nH]c(C)n2)cc1=O ZINC000328681729 533161237 /nfs/dbraw/zinc/16/12/37/533161237.db2.gz OIRCUTFXXGHJFP-LBPRGKRZSA-N 0 1 304.350 1.802 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@@]3(C)CCCO3)CCO2)n[nH]1 ZINC000120708738 195221858 /nfs/dbraw/zinc/22/18/58/195221858.db2.gz DBMCYTDGIOXFQB-IAQYHMDHSA-N 0 1 323.397 1.019 10 0 DDAEMN Fc1cnccc1CN1C[C@@H]2CCN(c3cnccn3)C[C@@H]2C1 ZINC000247546435 257119662 /nfs/dbraw/zinc/11/96/62/257119662.db2.gz UQCBYNFWDACFCH-ZFWWWQNUSA-N 0 1 313.380 1.969 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000121053303 195287803 /nfs/dbraw/zinc/28/78/03/195287803.db2.gz PKLFSFOEUSGFQR-SWLSCSKDSA-N 0 1 324.450 1.749 10 0 DDAEMN CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000105817952 407355360 /nfs/dbraw/zinc/35/53/60/407355360.db2.gz LLXYMAYOJUMDHL-QGZVFWFLSA-N 0 1 323.481 1.430 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000105817952 407355363 /nfs/dbraw/zinc/35/53/63/407355363.db2.gz LLXYMAYOJUMDHL-QGZVFWFLSA-N 0 1 323.481 1.430 10 0 DDAEMN COC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106915918 407365995 /nfs/dbraw/zinc/36/59/95/407365995.db2.gz CYFVIWBNNMNJSJ-JKSUJKDBSA-N 0 1 318.417 1.571 10 0 DDAEMN CCn1cc(C(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000125386255 407387550 /nfs/dbraw/zinc/38/75/50/407387550.db2.gz DKGMIRDJDLOLSC-HNNXBMFYSA-N 0 1 314.389 1.505 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000178671061 407540232 /nfs/dbraw/zinc/54/02/32/407540232.db2.gz NFZRKEYFNRQSKP-IAGOWNOFSA-N 0 1 320.433 1.159 10 0 DDAEMN CCCN(CCC)C(=O)c1ccc(NC(=O)[C@H](N)COC)cc1 ZINC000262168042 407756221 /nfs/dbraw/zinc/75/62/21/407756221.db2.gz JYNUAIDGWOSYAO-OAHLLOKOSA-N 0 1 321.421 1.861 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000262287145 407784671 /nfs/dbraw/zinc/78/46/71/407784671.db2.gz MLGQWIOGYLLLDY-HUUCEWRRSA-N 0 1 322.405 1.177 10 0 DDAEMN COC[C@H](N)C(=O)NCc1c(C)cc(Br)cc1C ZINC000262267274 407779519 /nfs/dbraw/zinc/77/95/19/407779519.db2.gz JZHGYDAXFABTHI-LBPRGKRZSA-N 0 1 315.211 1.656 10 0 DDAEMN COCCN(Cc1ccc(C)o1)C[C@H](O)CN1CCCC1=O ZINC000132705804 407801474 /nfs/dbraw/zinc/80/14/74/407801474.db2.gz YESQNJCTVBGWNC-AWEZNQCLSA-N 0 1 310.394 1.020 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000262339813 407802336 /nfs/dbraw/zinc/80/23/36/407802336.db2.gz SQVLBFWEZKNDHY-CQSZACIVSA-N 0 1 306.410 1.052 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376350 407816775 /nfs/dbraw/zinc/81/67/75/407816775.db2.gz XGISTVHRAHURKQ-BXKDBHETSA-N 0 1 304.312 1.726 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1ccccc1OC(F)(F)F ZINC000262395244 407822902 /nfs/dbraw/zinc/82/29/02/407822902.db2.gz ZCONCMCOQUFMEO-SNVBAGLBSA-N 0 1 306.284 1.218 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000262402072 407825871 /nfs/dbraw/zinc/82/58/71/407825871.db2.gz ZVVPFVABRDFWFN-LLVKDONJSA-N 0 1 320.418 1.776 10 0 DDAEMN COC(=O)c1ccccc1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000180103779 407855128 /nfs/dbraw/zinc/85/51/28/407855128.db2.gz BUBNOCZILSLFEY-CQSZACIVSA-N 0 1 316.361 1.473 10 0 DDAEMN CC(=O)Nc1ccccc1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000180117395 407855290 /nfs/dbraw/zinc/85/52/90/407855290.db2.gz XWFONBKDSQWXKS-OAHLLOKOSA-N 0 1 315.377 1.645 10 0 DDAEMN Cn1c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nnc1C1CC1 ZINC000262562496 407869105 /nfs/dbraw/zinc/86/91/05/407869105.db2.gz WVBDEDVHFPSXDC-AGIUHOORSA-N 0 1 304.394 1.910 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000262576355 407870586 /nfs/dbraw/zinc/87/05/86/407870586.db2.gz TVCGEMIYCWDDPU-RYUDHWBXSA-N 0 1 312.341 1.296 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2ccccc2)CCN1C[C@@H](C)O ZINC000173272559 407873539 /nfs/dbraw/zinc/87/35/39/407873539.db2.gz ODVDRHHRXMQWBS-WBVHZDCISA-N 0 1 319.449 1.716 10 0 DDAEMN Cn1cc([C@H]2CCC[N@@H+]2CCC[N-]C(=O)C(F)(F)F)cn1 ZINC000180609883 407904356 /nfs/dbraw/zinc/90/43/56/407904356.db2.gz OCCWKCYOHFUREP-LLVKDONJSA-N 0 1 304.316 1.626 10 0 DDAEMN Cn1cc([C@H]2CCC[N@H+]2CCC[N-]C(=O)C(F)(F)F)cn1 ZINC000180609883 407904363 /nfs/dbraw/zinc/90/43/63/407904363.db2.gz OCCWKCYOHFUREP-LLVKDONJSA-N 0 1 304.316 1.626 10 0 DDAEMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]1 ZINC000262745245 407914710 /nfs/dbraw/zinc/91/47/10/407914710.db2.gz ACGICIXKQMKDLG-HTQZYQBOSA-N 0 1 308.325 1.523 10 0 DDAEMN COC[C@H](C)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180746412 407915696 /nfs/dbraw/zinc/91/56/96/407915696.db2.gz UPNUCNXLLABYHV-HNNXBMFYSA-N 0 1 312.454 1.620 10 0 DDAEMN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262790570 407934629 /nfs/dbraw/zinc/93/46/29/407934629.db2.gz RRKOEZDOZGMPKR-CPCISQLKSA-N 0 1 308.325 1.380 10 0 DDAEMN C[C@@H]1C[C@H](C(=O)[O-])CN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000263148469 408040689 /nfs/dbraw/zinc/04/06/89/408040689.db2.gz HGLSJAXSNWHYBG-FRRDWIJNSA-N 0 1 320.393 1.615 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000175185117 408071755 /nfs/dbraw/zinc/07/17/55/408071755.db2.gz YLMDNBIZILBTGL-CQSZACIVSA-N 0 1 305.426 1.244 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NOCc3ccccc3)CCO2)n[nH]1 ZINC000175501720 408145707 /nfs/dbraw/zinc/14/57/07/408145707.db2.gz JZYZXGCNEULZDR-CYBMUJFWSA-N 0 1 317.349 1.328 10 0 DDAEMN COc1ccc(NC(=O)CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246160609 408159984 /nfs/dbraw/zinc/15/99/84/408159984.db2.gz HUDQSCHZPFXMFX-HNNXBMFYSA-N 0 1 303.406 1.804 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCOC(C)C)CCN1CCOC ZINC000182448480 408163845 /nfs/dbraw/zinc/16/38/45/408163845.db2.gz CVEGQDFBIDFNPO-HNNXBMFYSA-N 0 1 300.443 1.761 10 0 DDAEMN CN(CCOCCO)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246188253 408170151 /nfs/dbraw/zinc/17/01/51/408170151.db2.gz LQZKABRPVFISMH-ZIAGYGMSSA-N 0 1 320.216 1.892 10 0 DDAEMN COc1c(CN2CCC(Cn3cccn3)CC2)c(C)nn1C ZINC000122096391 408247531 /nfs/dbraw/zinc/24/75/31/408247531.db2.gz FMIITPWPKBMDIN-UHFFFAOYSA-N 0 1 303.410 1.846 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246458298 408263737 /nfs/dbraw/zinc/26/37/37/408263737.db2.gz NGCOCKVRTSKZJY-JYJNAYRXSA-N 0 1 311.470 1.334 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)NC)cc2)C[C@H]1C ZINC000246303981 408213625 /nfs/dbraw/zinc/21/36/25/408213625.db2.gz XADCSNAQNPFPBX-OAHLLOKOSA-N 0 1 319.449 1.589 10 0 DDAEMN C/C=C(/CC)C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000190647910 408295537 /nfs/dbraw/zinc/29/55/37/408295537.db2.gz UCMJHOZSGRCQFK-YQMISUSPSA-N 0 1 302.418 1.878 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246576382 408296332 /nfs/dbraw/zinc/29/63/32/408296332.db2.gz HGIRMQAVCQUGRB-CVEARBPZSA-N 0 1 320.437 1.293 10 0 DDAEMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCCO1 ZINC000183139488 408335718 /nfs/dbraw/zinc/33/57/18/408335718.db2.gz AABOTERLAVSEEP-FZMZJTMJSA-N 0 1 303.362 1.129 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CC3(Cl)Cl)CCO2)n[nH]1 ZINC000173516068 162345417 /nfs/dbraw/zinc/34/54/17/162345417.db2.gz SNWINXHUFNNZJN-SFYZADRCSA-N 0 1 305.165 1.207 10 0 DDAEMN CC(=O)c1csc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173606374 162351083 /nfs/dbraw/zinc/35/10/83/162351083.db2.gz PCLHKDYZIDJVGQ-LLVKDONJSA-N 0 1 320.374 1.591 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3cnc(C)s3)C2=O)n(C)n1 ZINC000173851261 162370903 /nfs/dbraw/zinc/37/09/03/162370903.db2.gz OHKNJSBPGJBALZ-CYBMUJFWSA-N 0 1 319.434 1.779 10 0 DDAEMN COC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000246966056 408376296 /nfs/dbraw/zinc/37/62/96/408376296.db2.gz LMWABECPMFXWFV-UONOGXRCSA-N 0 1 316.361 1.401 10 0 DDAEMN CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]2c2ccco2)CC1 ZINC000247060738 408400580 /nfs/dbraw/zinc/40/05/80/408400580.db2.gz PCXAGGXTSUDRPD-GJZGRUSLSA-N 0 1 305.422 1.969 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1C ZINC000247097355 408407304 /nfs/dbraw/zinc/40/73/04/408407304.db2.gz HXYKPCLSACHYHS-NEPJUHHUSA-N 0 1 322.434 1.685 10 0 DDAEMN COC(=O)c1cc(F)ccc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247123429 408413300 /nfs/dbraw/zinc/41/33/00/408413300.db2.gz JVBLKZYBTHZLFX-STQMWFEESA-N 0 1 324.396 1.499 10 0 DDAEMN O[C@H](COc1ccccc1F)CN1CCC[C@@H](n2cncn2)C1 ZINC000247140403 408414471 /nfs/dbraw/zinc/41/44/71/408414471.db2.gz KXYRRJBVNAFTRA-KGLIPLIRSA-N 0 1 320.368 1.494 10 0 DDAEMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCCO1 ZINC000247767171 408508420 /nfs/dbraw/zinc/50/84/20/408508420.db2.gz SNNZPUCUXNKGQI-IKGGRYGDSA-N 0 1 318.417 1.165 10 0 DDAEMN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2ccnn2C)CC1 ZINC000191978999 408514552 /nfs/dbraw/zinc/51/45/52/408514552.db2.gz LPKAQXAQZIQNJR-UHFFFAOYSA-N 0 1 322.453 1.658 10 0 DDAEMN CN(Cc1cccs1)C(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248356866 408550955 /nfs/dbraw/zinc/55/09/55/408550955.db2.gz OVVWYEKEUKTQPY-AWEZNQCLSA-N 0 1 307.463 1.877 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000248337768 408551474 /nfs/dbraw/zinc/55/14/74/408551474.db2.gz HPEUYEOLLSALPK-INIZCTEOSA-N 0 1 323.387 1.751 10 0 DDAEMN C[C@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177258287 408564960 /nfs/dbraw/zinc/56/49/60/408564960.db2.gz DUIPVGACJKIDOO-RDJZCZTQSA-N 0 1 317.433 1.302 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2C)CCN1C[C@H](C)O ZINC000248460236 408572000 /nfs/dbraw/zinc/57/20/00/408572000.db2.gz SGVOFPZHTHVYID-RDJZCZTQSA-N 0 1 319.449 1.982 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Nc2ccnn2C(C)(C)C)C[C@@H]1C ZINC000248833995 408644437 /nfs/dbraw/zinc/64/44/37/408644437.db2.gz ZQGSKAXZMUVWBB-STQMWFEESA-N 0 1 323.441 1.557 10 0 DDAEMN CCC[C@@H](C(=O)N[C@H]1CCN(c2ccccc2)C1=O)N(C)C ZINC000162083372 408668224 /nfs/dbraw/zinc/66/82/24/408668224.db2.gz IXUXLZLSOFKYDF-GJZGRUSLSA-N 0 1 303.406 1.638 10 0 DDAEMN CCC[C@H](C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)N(C)C ZINC000185020285 408739113 /nfs/dbraw/zinc/73/91/13/408739113.db2.gz WUJFEJMADXUGBI-LSDHHAIUSA-N 0 1 318.421 1.424 10 0 DDAEMN CSC1(CNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1 ZINC000195149335 163308511 /nfs/dbraw/zinc/30/85/11/163308511.db2.gz VPHQETLFPINFTO-SNVBAGLBSA-N 0 1 311.411 1.092 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000262525149 163843324 /nfs/dbraw/zinc/84/33/24/163843324.db2.gz LFSFAXUNCBJZFA-ZDUSSCGKSA-N 0 1 305.378 1.143 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)C)no2)C1 ZINC000262839235 163884186 /nfs/dbraw/zinc/88/41/86/163884186.db2.gz UCEZHLVUBKZBTH-UHFFFAOYSA-N 0 1 309.366 1.465 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3ccccc3OC)CCO2)n[nH]1 ZINC000129230144 196031224 /nfs/dbraw/zinc/03/12/24/196031224.db2.gz GUMWGRZBEZGNAU-CQSZACIVSA-N 0 1 302.378 1.949 10 0 DDAEMN CCCC1CCC(NC(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000049547590 418479023 /nfs/dbraw/zinc/47/90/23/418479023.db2.gz NJCSSNVCKHOBMN-WXRRBKDZSA-N 0 1 304.456 1.224 10 0 DDAEMN CC[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)CCN1CCOC ZINC000492442835 420559715 /nfs/dbraw/zinc/55/97/15/420559715.db2.gz PFFJEMYAHWSSRN-XVWMLYKFSA-N 0 1 319.405 1.370 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000637866885 422434746 /nfs/dbraw/zinc/43/47/46/422434746.db2.gz CXRLOXDMXBLATA-HGTKMLMNSA-N 0 1 306.406 1.555 10 0 DDAEMN NC(=O)C[C@]1(O)CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000643745654 423309634 /nfs/dbraw/zinc/30/96/34/423309634.db2.gz OMLQKKDPIMYTBX-QGZVFWFLSA-N 0 1 314.389 1.075 10 0 DDAEMN CCN(CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152785136 279048022 /nfs/dbraw/zinc/04/80/22/279048022.db2.gz RPGLMRLDXJNZQX-HNNXBMFYSA-N 0 1 317.437 1.388 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000118856729 288111688 /nfs/dbraw/zinc/11/16/88/288111688.db2.gz OSIRTTKMAOUSHR-CVEARBPZSA-N 0 1 311.470 1.022 10 0 DDAEMN CC[C@](C)(NC[C@@H](O)CN1CCCC1=O)c1nc(C)cs1 ZINC000126744848 281251217 /nfs/dbraw/zinc/25/12/17/281251217.db2.gz BAOKMKUIEGOWQX-DOMZBBRYSA-N 0 1 311.451 1.650 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)CSC)CCN1CCOC ZINC000246750940 282012487 /nfs/dbraw/zinc/01/24/87/282012487.db2.gz LVJQSIGGBOHMHB-CHWSQXEVSA-N 0 1 303.472 1.490 10 0 DDAEMN CSc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170873666 298223380 /nfs/dbraw/zinc/22/33/80/298223380.db2.gz HAPHVUNGQJGSBV-LLVKDONJSA-N 0 1 300.449 1.733 10 0 DDAEMN O=c1c2ccccc2ncn1CCN1CCC(c2cc[nH]n2)CC1 ZINC000172246182 298244110 /nfs/dbraw/zinc/24/41/10/298244110.db2.gz SAFYPTTXJVDAAE-UHFFFAOYSA-N 0 1 323.400 1.999 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC(C)(C)OC)CCN1CCOC ZINC000173235356 298253879 /nfs/dbraw/zinc/25/38/79/298253879.db2.gz NBNILYRJXVEPEM-ZDUSSCGKSA-N 0 1 301.431 1.164 10 0 DDAEMN CC[C@@H]1C[C@H](CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCO1 ZINC000378616542 302343903 /nfs/dbraw/zinc/34/39/03/302343903.db2.gz CJQWNASCDDVHOO-MCIONIFRSA-N 0 1 322.409 1.608 10 0 DDAEMN CCc1ncc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)cn1 ZINC000584639238 337379861 /nfs/dbraw/zinc/37/98/61/337379861.db2.gz GSCRZQZALLVACA-AWEZNQCLSA-N 0 1 313.361 1.347 10 0 DDAEMN O=[N+]([O-])N=c1nc(-c2ccccn2)cc(N[C@H]2CCC[NH2+]C2)[n-]1 ZINC000073685376 527318692 /nfs/dbraw/zinc/31/86/92/527318692.db2.gz JHJUHJXGJUPORE-JTQLQIEISA-N 0 1 315.337 1.306 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000109954255 696639197 /nfs/dbraw/zinc/63/91/97/696639197.db2.gz XTWVQUQGJXVXKC-KBPBESRZSA-N 0 1 313.357 1.707 10 0 DDAEMN C=Cn1cc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000194315360 697704350 /nfs/dbraw/zinc/70/43/50/697704350.db2.gz WRGAXQIAQGVODO-GJZGRUSLSA-N 0 1 318.333 1.076 10 0 DDAEMN C=Cn1cc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000194315328 697704490 /nfs/dbraw/zinc/70/44/90/697704490.db2.gz WRGAXQIAQGVODO-LSDHHAIUSA-N 0 1 318.333 1.076 10 0 DDAEMN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000253542808 698406356 /nfs/dbraw/zinc/40/63/56/698406356.db2.gz RIXKSAUGFUBCTJ-NEPJUHHUSA-N 0 1 312.373 1.644 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000253542808 698406358 /nfs/dbraw/zinc/40/63/58/698406358.db2.gz RIXKSAUGFUBCTJ-NEPJUHHUSA-N 0 1 312.373 1.644 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000262345644 698465512 /nfs/dbraw/zinc/46/55/12/698465512.db2.gz FXRPEUAMOZMBEX-GJZGRUSLSA-N 0 1 318.373 1.316 10 0 DDAEMN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000702563724 699230566 /nfs/dbraw/zinc/23/05/66/699230566.db2.gz RONBCSCMHPCBDF-INIZCTEOSA-N 0 1 300.362 1.078 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)C1CCC(=O)CC1 ZINC000708220857 699249165 /nfs/dbraw/zinc/24/91/65/699249165.db2.gz HUWZARDXDPOJAX-LBPRGKRZSA-N 0 1 302.440 1.244 10 0 DDAEMN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900902470 709820137 /nfs/dbraw/zinc/82/01/37/709820137.db2.gz XLDHPNZERVHWKB-OLZOCXBDSA-N 0 1 316.405 1.758 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900902470 709820141 /nfs/dbraw/zinc/82/01/41/709820141.db2.gz XLDHPNZERVHWKB-OLZOCXBDSA-N 0 1 316.405 1.758 10 0 DDAEMN C[C@H](c1ccc(F)nc1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000930425017 713831816 /nfs/dbraw/zinc/83/18/16/713831816.db2.gz IFTXCYAYOVNGHK-CXAGYDPISA-N 0 1 321.396 1.731 10 0 DDAEMN CCCS(=O)(=O)C[C@@H](NCC)c1ccc2c(c1)OCCO2 ZINC000081939424 192342820 /nfs/dbraw/zinc/34/28/20/192342820.db2.gz QHGHCYJANVRQIA-CYBMUJFWSA-N 0 1 313.419 1.933 10 0 DDAEMN CN[C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944935 192345424 /nfs/dbraw/zinc/34/54/24/192345424.db2.gz OMZBAUSXXXAAKM-BXUZGUMPSA-N 0 1 301.408 1.405 10 0 DDAEMN O=c1cc(CN2CCC[C@@H](n3cccn3)C2)nc2ccccn12 ZINC000328679050 231304181 /nfs/dbraw/zinc/30/41/81/231304181.db2.gz BLDPBJHFFRADJY-OAHLLOKOSA-N 0 1 309.373 1.728 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)CCc2ccncn2)n[nH]1 ZINC000328749887 231330600 /nfs/dbraw/zinc/33/06/00/231330600.db2.gz QYUWWPHKGXSDTM-CYBMUJFWSA-N 0 1 300.366 1.590 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)CCc2cnccn2)n[nH]1 ZINC000328763036 231333434 /nfs/dbraw/zinc/33/34/34/231333434.db2.gz ZEVLHHMUVDTERZ-CYBMUJFWSA-N 0 1 300.366 1.590 10 0 DDAEMN CC(C)c1nsc(N2CCC[C@@H]2C(=O)N2CCNCC2)n1 ZINC000087642432 185229820 /nfs/dbraw/zinc/22/98/20/185229820.db2.gz CQIOQRHQIJCMFM-LLVKDONJSA-N 0 1 309.439 1.062 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000176286654 539229250 /nfs/dbraw/zinc/22/92/50/539229250.db2.gz VDKHHUBFINLYSS-LLVKDONJSA-N 0 1 314.324 1.867 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(SC)cc1)C(C)C ZINC000183673666 539243024 /nfs/dbraw/zinc/24/30/24/539243024.db2.gz ZABKJSZCEXNESZ-CQSZACIVSA-N 0 1 309.435 1.707 10 0 DDAEMN Cc1nc(S(=O)(=O)Nc2ncccc2Br)c[nH]1 ZINC000088447310 185251280 /nfs/dbraw/zinc/25/12/80/185251280.db2.gz FAVNUQOPFIEDQM-UHFFFAOYSA-N 0 1 317.168 1.676 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)o1 ZINC000088544262 185256584 /nfs/dbraw/zinc/25/65/84/185256584.db2.gz IFDQNPWIJXWMAF-NSHDSACASA-N 0 1 316.423 1.577 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000088759682 185264260 /nfs/dbraw/zinc/26/42/60/185264260.db2.gz CSYYRMGJWLNGBI-UHFFFAOYSA-N 0 1 321.280 1.787 10 0 DDAEMN CN1C(=O)C[C@@H](NCc2ccc(O)c(Br)c2)C1=O ZINC000088774403 185265215 /nfs/dbraw/zinc/26/52/15/185265215.db2.gz VRAWFVUASBCCSE-SECBINFHSA-N 0 1 313.151 1.002 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccn2)CCN1C[C@H](C)O ZINC000248465440 539272038 /nfs/dbraw/zinc/27/20/38/539272038.db2.gz ZIKWDUQVJIJSPO-RRFJBIMHSA-N 0 1 320.437 1.629 10 0 DDAEMN N[C@@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989953 192350518 /nfs/dbraw/zinc/35/05/18/192350518.db2.gz PILDAWMKPWWPKL-JKSUJKDBSA-N 0 1 309.431 1.985 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(CC(F)(F)F)C(C)C ZINC000088892651 185269894 /nfs/dbraw/zinc/26/98/94/185269894.db2.gz VBSAOUNUPBTCJL-UHFFFAOYSA-N 0 1 315.317 1.172 10 0 DDAEMN O=C(c1ccc(Br)cc1[O-])N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321085 185290942 /nfs/dbraw/zinc/29/09/42/185290942.db2.gz RQMXPYXFMKGXDK-IUCAKERBSA-N 0 1 311.179 1.446 10 0 DDAEMN CCN[C@](CO[C@@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674588 185308812 /nfs/dbraw/zinc/30/88/12/185308812.db2.gz JWVCTSXXVYSGSM-GWCFXTLKSA-N 0 1 304.312 1.944 10 0 DDAEMN CCNc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092672301 185332808 /nfs/dbraw/zinc/33/28/08/185332808.db2.gz QJTVZFNRCHXDGP-ZDUSSCGKSA-N 0 1 311.451 1.833 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1N ZINC000092622784 185329775 /nfs/dbraw/zinc/32/97/75/185329775.db2.gz HRYTZGMFWPWODU-NSHDSACASA-N 0 1 315.414 1.513 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000092622345 185329940 /nfs/dbraw/zinc/32/99/40/185329940.db2.gz UVUKEBSATJZMOK-SNVBAGLBSA-N 0 1 317.842 1.637 10 0 DDAEMN O=C(N[C@H]1CCCc2sccc21)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092782487 185340257 /nfs/dbraw/zinc/34/02/57/185340257.db2.gz CAHKVKATZSSVKX-JQWIXIFHSA-N 0 1 302.403 1.679 10 0 DDAEMN CCN[C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCOC ZINC000092859215 185346866 /nfs/dbraw/zinc/34/68/66/185346866.db2.gz QEKNNXFHOHTUGD-HUUCEWRRSA-N 0 1 313.419 1.332 10 0 DDAEMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000092926820 185349660 /nfs/dbraw/zinc/34/96/60/185349660.db2.gz JUNFPGLHXWYBQX-GWCFXTLKSA-N 0 1 310.781 1.751 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@H](C)COC)C[C@@H]1CC ZINC000246747743 354361940 /nfs/dbraw/zinc/36/19/40/354361940.db2.gz LIWZQMIVYDFSEL-GJZGRUSLSA-N 0 1 315.458 1.411 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCCC2(C1)OCCO2 ZINC000179427444 199033585 /nfs/dbraw/zinc/03/35/85/199033585.db2.gz UUFXVEOGGVOLFN-INIZCTEOSA-N 0 1 318.417 1.525 10 0 DDAEMN CCCO[C@@H]1CCCN(S(=O)(=O)c2ccsc2CN)C1 ZINC000089003803 192692688 /nfs/dbraw/zinc/69/26/88/192692688.db2.gz BIIWAHFFZNCHHC-LLVKDONJSA-N 0 1 318.464 1.787 10 0 DDAEMN CCn1nc(C)c(Br)c1CNC[C@@H](O)COC ZINC000089278025 192756948 /nfs/dbraw/zinc/75/69/48/192756948.db2.gz MWZFIIITNPAGCX-SECBINFHSA-N 0 1 306.204 1.071 10 0 DDAEMN CSC[C@@H](O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187878271 200170273 /nfs/dbraw/zinc/17/02/73/200170273.db2.gz LLTVTDIRLKIJTB-HOTGVXAUSA-N 0 1 310.463 1.062 10 0 DDAEMN CC(C)COc1cncc(N2CCN(C[C@@H](C)O)C[C@@H]2C)n1 ZINC000192800752 200943489 /nfs/dbraw/zinc/94/34/89/200943489.db2.gz YYNDZTLMNYJPHU-UONOGXRCSA-N 0 1 308.426 1.403 10 0 DDAEMN Nc1ccc2c(c1)[nH]cc2S(=O)(=O)NCCN1CCCC1 ZINC000091499704 193065147 /nfs/dbraw/zinc/06/51/47/193065147.db2.gz BFZFZSZMROLANT-UHFFFAOYSA-N 0 1 308.407 1.124 10 0 DDAEMN CS(=O)(=O)c1ccc(-c2csc([C@@H]3CNCCO3)n2)cc1 ZINC000091499639 193065171 /nfs/dbraw/zinc/06/51/71/193065171.db2.gz ZHQZEBUKXASOTJ-ZDUSSCGKSA-N 0 1 324.427 1.875 10 0 DDAEMN CCc1nn(C)c(CC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1Cl ZINC000091714165 193096320 /nfs/dbraw/zinc/09/63/20/193096320.db2.gz NEVSVKKHFGNZRD-QMTHXVAHSA-N 0 1 311.813 1.611 10 0 DDAEMN CNCc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113464 193161127 /nfs/dbraw/zinc/16/11/27/193161127.db2.gz NEMBSGFDOFMSDE-NXEZZACHSA-N 0 1 300.424 1.892 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(CO)cc1F ZINC000092115324 193163647 /nfs/dbraw/zinc/16/36/47/193163647.db2.gz SYFRCIKJGQCLLZ-UHFFFAOYSA-N 0 1 318.414 1.280 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000093648751 193284311 /nfs/dbraw/zinc/28/43/11/193284311.db2.gz FLPVFYARSVQLMG-CQSZACIVSA-N 0 1 311.451 1.600 10 0 DDAEMN CC(C)N1CCO[C@H](c2ncc(Br)c(=O)[nH]2)C1 ZINC000093923536 193328617 /nfs/dbraw/zinc/32/86/17/193328617.db2.gz WSVPMLMYVRGRME-VIFPVBQESA-N 0 1 302.172 1.314 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)c1ccc(Br)cc1N ZINC000094044791 193340837 /nfs/dbraw/zinc/34/08/37/193340837.db2.gz PHBRUSDIPUQFOV-UHFFFAOYSA-N 0 1 309.167 1.993 10 0 DDAEMN CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[C@@H]1CCC[N@@H+](C)C1 ZINC000094226659 193351448 /nfs/dbraw/zinc/35/14/48/193351448.db2.gz AMUWXVZCEMBAOG-KCJUWKMLSA-N 0 1 311.304 1.128 10 0 DDAEMN CCCNCc1ncnn1[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644054 193389717 /nfs/dbraw/zinc/38/97/17/193389717.db2.gz NXVSMWKUYYKKPY-RYUDHWBXSA-N 0 1 300.428 1.306 10 0 DDAEMN Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019794175 182150014 /nfs/dbraw/zinc/15/00/14/182150014.db2.gz FEMKEGNOGRCDBB-UHFFFAOYSA-N 0 1 315.373 1.282 10 0 DDAEMN Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019794175 182150015 /nfs/dbraw/zinc/15/00/15/182150015.db2.gz FEMKEGNOGRCDBB-UHFFFAOYSA-N 0 1 315.373 1.282 10 0 DDAEMN Cc1ccc(NS(=O)(=O)c2cccc(C(N)=S)c2)nc1 ZINC000020023695 182179929 /nfs/dbraw/zinc/17/99/29/182179929.db2.gz OJGVBNBSDCLAKY-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN CCCc1[nH]nc2c1CN(C(=O)C[C@H]1C=CS(=O)(=O)C1)CC2 ZINC000020206964 182197272 /nfs/dbraw/zinc/19/72/72/182197272.db2.gz FNFSBLOUUQWJML-LLVKDONJSA-N 0 1 323.418 1.195 10 0 DDAEMN CSc1cccc(NC(=O)[C@H](N)CCS(C)(=O)=O)c1 ZINC000021060056 182264260 /nfs/dbraw/zinc/26/42/60/182264260.db2.gz CQJBCAHZTWGSCU-LLVKDONJSA-N 0 1 302.421 1.109 10 0 DDAEMN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCNCC2)s1 ZINC000040508308 183086069 /nfs/dbraw/zinc/08/60/69/183086069.db2.gz FOTYIWVRCVBCRQ-LBPRGKRZSA-N 0 1 307.419 1.093 10 0 DDAEMN CC1CCN(CCNS(=O)(=O)c2ccc(F)cc2N)CC1 ZINC000040771111 183131325 /nfs/dbraw/zinc/13/13/25/183131325.db2.gz FPYGEQKNJKTUSN-UHFFFAOYSA-N 0 1 315.414 1.418 10 0 DDAEMN CCCO[C@H]1CCCN(CC(=O)N(C)CCC(N)=S)C1 ZINC000042422412 183267538 /nfs/dbraw/zinc/26/75/38/183267538.db2.gz SMXZKCNYUZCDLO-LBPRGKRZSA-N 0 1 301.456 1.012 10 0 DDAEMN CCCCN([C@@H](C)CC)S(=O)(=O)c1ccnc(NN)c1 ZINC000042611300 183291177 /nfs/dbraw/zinc/29/11/77/183291177.db2.gz LWJKWNBGPSSFHO-NSHDSACASA-N 0 1 300.428 1.957 10 0 DDAEMN CCC(CC)N(CCOC)S(=O)(=O)c1ccnc(NN)c1 ZINC000042689695 183296114 /nfs/dbraw/zinc/29/61/14/183296114.db2.gz LYGGWYMOMLWQSQ-UHFFFAOYSA-N 0 1 316.427 1.193 10 0 DDAEMN CC(C)c1cc(C(=O)N2CCCN(c3cccnn3)CC2)n[nH]1 ZINC000105811060 194134831 /nfs/dbraw/zinc/13/48/31/194134831.db2.gz SESRMOVBYBRULE-UHFFFAOYSA-N 0 1 314.393 1.676 10 0 DDAEMN CCOCCN1CCN(CC(=O)NC(C)(C)CC)C[C@@H]1CC ZINC000105837869 194144253 /nfs/dbraw/zinc/14/42/53/194144253.db2.gz DGJSGNLEXFRKER-HNNXBMFYSA-N 0 1 313.486 1.724 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932908 194173469 /nfs/dbraw/zinc/17/34/69/194173469.db2.gz FRIBTISCGBOFFW-HOCLYGCPSA-N 0 1 317.433 1.275 10 0 DDAEMN Cc1cccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c1C ZINC000105932651 194173631 /nfs/dbraw/zinc/17/36/31/194173631.db2.gz REYZIVIBOKVZPV-HUUCEWRRSA-N 0 1 305.422 1.551 10 0 DDAEMN CC[C@H]1CN(Cc2nc3c(cnn3C)c(Cl)n2)CCN1C ZINC000110717636 194354125 /nfs/dbraw/zinc/35/41/25/194354125.db2.gz FNGGDQMSIKGMTK-JTQLQIEISA-N 0 1 308.817 1.543 10 0 DDAEMN O=C1CC[C@@H](NCc2cc(F)ccc2Br)CN1 ZINC000111020159 194384693 /nfs/dbraw/zinc/38/46/93/194384693.db2.gz CPURSWZTOWQLPQ-SNVBAGLBSA-N 0 1 301.159 1.956 10 0 DDAEMN COc1ccc(Cl)cc1CN1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061146454 184163135 /nfs/dbraw/zinc/16/31/35/184163135.db2.gz JRZZWCJMRXADER-UHFFFAOYSA-N 0 1 312.797 1.941 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NC(=O)OCC)C1 ZINC000062878067 184257866 /nfs/dbraw/zinc/25/78/66/184257866.db2.gz UBVJMTPWHUJJBF-AWEZNQCLSA-N 0 1 300.355 1.226 10 0 DDAEMN O=S(=O)(c1cnc(Cl)s1)N1CCCN2CCC[C@@H]2C1 ZINC000062942522 184262165 /nfs/dbraw/zinc/26/21/65/184262165.db2.gz DCCWSGRXPVWMGW-SECBINFHSA-N 0 1 321.855 1.655 10 0 DDAEMN O=S(=O)(c1ccnc(Cl)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000062970840 184263559 /nfs/dbraw/zinc/26/35/59/184263559.db2.gz WPECSDVHBXSJSA-LLVKDONJSA-N 0 1 315.826 1.594 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000062975736 184264077 /nfs/dbraw/zinc/26/40/77/184264077.db2.gz VXGZIJFUOHOQSZ-CQSZACIVSA-N 0 1 309.435 1.436 10 0 DDAEMN CC[C@@H](C)NC(=O)c1ccc(NC(=O)CNCCOC)cc1 ZINC000066224586 184398090 /nfs/dbraw/zinc/39/80/90/184398090.db2.gz DWTPUBAMDXCTDU-GFCCVEGCSA-N 0 1 307.394 1.389 10 0 DDAEMN CC[S@](=O)c1ccccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116786297 194770565 /nfs/dbraw/zinc/77/05/65/194770565.db2.gz BLJLCBGCYQRPMP-WHEQGISXSA-N 0 1 324.446 1.217 10 0 DDAEMN COC(=O)c1ccccc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000120566928 195191221 /nfs/dbraw/zinc/19/12/21/195191221.db2.gz ILLFRCZSZBQDSC-UONOGXRCSA-N 0 1 306.406 1.360 10 0 DDAEMN COCCN1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000120807811 195241903 /nfs/dbraw/zinc/24/19/03/195241903.db2.gz MCWXCEQNXBGODC-AWEZNQCLSA-N 0 1 305.422 1.798 10 0 DDAEMN Cc1cccc(CN2CCOC[C@@H](CC(=O)N(C)C)[C@@H]2C)n1 ZINC000248053402 257109385 /nfs/dbraw/zinc/10/93/85/257109385.db2.gz XVSBMTFFVGDFJO-LSDHHAIUSA-N 0 1 305.422 1.705 10 0 DDAEMN O=C(C[C@@H]1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2O1)N1CCC1 ZINC000247802882 257117545 /nfs/dbraw/zinc/11/75/45/257117545.db2.gz WYHBADZWXMPIQW-KBMXLJTQSA-N 0 1 301.390 1.293 10 0 DDAEMN CCOCCN1CCN(Cc2c(C)nn(C)c2OC)C[C@@H]1CC ZINC000121001896 195278031 /nfs/dbraw/zinc/27/80/31/195278031.db2.gz GWHREQAJCWOPOC-HNNXBMFYSA-N 0 1 324.469 1.670 10 0 DDAEMN C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000121996577 195388351 /nfs/dbraw/zinc/38/83/51/195388351.db2.gz ILIOTGKBTFLAPZ-RHSMWYFYSA-N 0 1 317.433 1.911 10 0 DDAEMN CC(C)(C)OC[C@@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000046345921 407059572 /nfs/dbraw/zinc/05/95/72/407059572.db2.gz JICRSGFNBAZDTF-AWEZNQCLSA-N 0 1 308.422 1.690 10 0 DDAEMN CCCC(=O)NC[C@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000092707799 407191536 /nfs/dbraw/zinc/19/15/36/407191536.db2.gz LEBGOWUSYJPKFX-CQSZACIVSA-N 0 1 322.453 1.865 10 0 DDAEMN COc1ccc(-c2cn3c(n2)CO[C@@H](CNC2COC2)C3)cc1 ZINC000096296286 407259162 /nfs/dbraw/zinc/25/91/62/407259162.db2.gz OWJRXVWYUNSHJT-HNNXBMFYSA-N 0 1 315.373 1.446 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000123274731 407324172 /nfs/dbraw/zinc/32/41/72/407324172.db2.gz ZYYLVCSTHYWKHH-SFHVURJKSA-N 0 1 319.449 1.081 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 ZINC000105884865 407356876 /nfs/dbraw/zinc/35/68/76/407356876.db2.gz SWGICEJANPVKEY-MRXNPFEDSA-N 0 1 319.453 1.619 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105883389 407356225 /nfs/dbraw/zinc/35/62/25/407356225.db2.gz BRESXEHEORFJRB-HNNXBMFYSA-N 0 1 307.442 1.639 10 0 DDAEMN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1n[nH]c2ccccc21 ZINC000125076553 407377690 /nfs/dbraw/zinc/37/76/90/407377690.db2.gz QQJDIJHXJNMIKC-GFCCVEGCSA-N 0 1 322.372 1.752 10 0 DDAEMN CN(C[C@@H]1CCCN1c1cccnn1)c1ncnc2[nH]cnc21 ZINC000108946907 407393269 /nfs/dbraw/zinc/39/32/69/407393269.db2.gz AOONYNHVKCXGKE-NSHDSACASA-N 0 1 310.365 1.248 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000170873453 407541868 /nfs/dbraw/zinc/54/18/68/407541868.db2.gz PEVCVLSCHFIGCH-VIFPVBQESA-N 0 1 308.325 1.429 10 0 DDAEMN NC(=O)c1ccc(OCCc2nc(C3(N)CCCC3)no2)cc1 ZINC000261749098 407601638 /nfs/dbraw/zinc/60/16/38/407601638.db2.gz LRIFOAIBXBHVOH-UHFFFAOYSA-N 0 1 316.361 1.518 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000129366123 407605636 /nfs/dbraw/zinc/60/56/36/407605636.db2.gz YFZOYNIDJCCLOI-DGCLKSJQSA-N 0 1 317.324 1.410 10 0 DDAEMN COC(=O)[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000171182092 407615926 /nfs/dbraw/zinc/61/59/26/407615926.db2.gz CAJADWYWUAESET-MNOVXSKESA-N 0 1 300.318 1.528 10 0 DDAEMN CCN(CC(=O)N1CCc2c(nc(C(C)C)n2C)C1)C1CC1 ZINC000152537415 407649057 /nfs/dbraw/zinc/64/90/57/407649057.db2.gz OOILFBCOONFAFN-UHFFFAOYSA-N 0 1 304.438 1.913 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171531056 407699582 /nfs/dbraw/zinc/69/95/82/407699582.db2.gz MIYMETNMYOWEJB-OAHLLOKOSA-N 0 1 316.409 1.931 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000171553452 407703581 /nfs/dbraw/zinc/70/35/81/407703581.db2.gz NAIZHTMQOHHIIV-ZIAGYGMSSA-N 0 1 319.453 1.680 10 0 DDAEMN C[C@@H]1C[C@@H](NC(=O)N2CCN3CCCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000130650439 407704177 /nfs/dbraw/zinc/70/41/77/407704177.db2.gz MQENGGIQEUMDKH-IIAWOOMASA-N 0 1 306.454 1.491 10 0 DDAEMN COC[C@H](N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000262237844 407771411 /nfs/dbraw/zinc/77/14/11/407771411.db2.gz HMGNUTWYRZRXOO-NSHDSACASA-N 0 1 306.284 1.517 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O ZINC000262218419 407770089 /nfs/dbraw/zinc/77/00/89/407770089.db2.gz OWFXNTBCBNZRJB-SECBINFHSA-N 0 1 319.283 1.576 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2ccccc2O)C[C@@H]1CC ZINC000116977340 407804149 /nfs/dbraw/zinc/80/41/49/407804149.db2.gz AQBATEROKHOWON-INIZCTEOSA-N 0 1 320.433 1.894 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1OCc1cscn1 ZINC000262355577 407809549 /nfs/dbraw/zinc/80/95/49/407809549.db2.gz JPWPXVYTFANLOH-NSHDSACASA-N 0 1 307.375 1.634 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(O)c2)CCN1CCOC ZINC000117483224 407837155 /nfs/dbraw/zinc/83/71/55/407837155.db2.gz RVSBVWOOTRQJMN-HNNXBMFYSA-N 0 1 321.421 1.644 10 0 DDAEMN CCCCc1nc(CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)no1 ZINC000262534702 407858926 /nfs/dbraw/zinc/85/89/26/407858926.db2.gz PXTSQTQHFBZHLZ-ZDUSSCGKSA-N 0 1 324.425 1.783 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)n[nH]1 ZINC000173528021 407883091 /nfs/dbraw/zinc/88/30/91/407883091.db2.gz WFZOTZLUKCAPMV-HNNXBMFYSA-N 0 1 323.356 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC000262697101 407903304 /nfs/dbraw/zinc/90/33/04/407903304.db2.gz FEWCPBPRXZPQHL-UHFFFAOYSA-N 0 1 316.361 1.002 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccccc2N)CCN1CCOC ZINC000262837395 407952903 /nfs/dbraw/zinc/95/29/03/407952903.db2.gz IMWHZIUVFGXCSV-MRXNPFEDSA-N 0 1 319.449 1.771 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000174094079 407913824 /nfs/dbraw/zinc/91/38/24/407913824.db2.gz NBYIODQXGARCFT-GOSISDBHSA-N 0 1 314.433 1.761 10 0 DDAEMN CC[C@@H]1CN(c2ncnc(Cl)c2NC)CCN1C[C@@H](C)O ZINC000136041752 408070091 /nfs/dbraw/zinc/07/00/91/408070091.db2.gz SPBNHQHWSNXAIO-GHMZBOCLSA-N 0 1 313.833 1.453 10 0 DDAEMN CNc1c(Cl)ncnc1NC[C@@H](c1cnn(C)c1)N(C)C ZINC000136048045 408071780 /nfs/dbraw/zinc/07/17/80/408071780.db2.gz LQSHMVQLBLCKPW-JTQLQIEISA-N 0 1 309.805 1.620 10 0 DDAEMN COCCN1CCN(Cc2ccc(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000151055504 408248631 /nfs/dbraw/zinc/24/86/31/408248631.db2.gz GZJJZRVNJKKIPT-ZDUSSCGKSA-N 0 1 324.396 1.765 10 0 DDAEMN COc1ccc(-c2cc(C(=O)N3CC(NC(C)=O)C3)n[nH]2)cc1 ZINC000190491553 408259641 /nfs/dbraw/zinc/25/96/41/408259641.db2.gz DXHUBCDSMZCCHV-UHFFFAOYSA-N 0 1 314.345 1.046 10 0 DDAEMN Cc1c([C@@H](C)N[C@@H]2CCNC2=O)cnn1-c1ccc(F)cc1 ZINC000182857376 408266776 /nfs/dbraw/zinc/26/67/76/408266776.db2.gz KCEUCEYBNYAXFW-MEBBXXQBSA-N 0 1 302.353 1.859 10 0 DDAEMN CC(C)N1C[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000155707161 408198909 /nfs/dbraw/zinc/19/89/09/408198909.db2.gz KBAUCRNVSHTTQM-STQMWFEESA-N 0 1 316.467 1.046 10 0 DDAEMN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000182928365 408286271 /nfs/dbraw/zinc/28/62/71/408286271.db2.gz ZXLGFJNTIHPGCT-AAEUAGOBSA-N 0 1 307.394 1.322 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000246798683 408342907 /nfs/dbraw/zinc/34/29/07/408342907.db2.gz RDNXRGGXWPJLRX-GJZGRUSLSA-N 0 1 316.445 1.631 10 0 DDAEMN Cc1cc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)on1 ZINC000171574984 162226351 /nfs/dbraw/zinc/22/63/51/162226351.db2.gz ASAIBOBGYWQCJM-QGZVFWFLSA-N 0 1 322.453 1.210 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000173459310 162341891 /nfs/dbraw/zinc/34/18/91/162341891.db2.gz SXTBPINSEYZNKX-YOEHRIQHSA-N 0 1 323.481 1.164 10 0 DDAEMN CSc1cc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)ccn1 ZINC000173540093 162347925 /nfs/dbraw/zinc/34/79/25/162347925.db2.gz CCODIUNLQUABMJ-LLVKDONJSA-N 0 1 319.390 1.444 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cn4cc(C)ccc4n3)CCO2)n[nH]1 ZINC000173760182 162361450 /nfs/dbraw/zinc/36/14/50/162361450.db2.gz CMHYGJOYYPTMCN-CQSZACIVSA-N 0 1 312.377 1.643 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176735604 408427273 /nfs/dbraw/zinc/42/72/73/408427273.db2.gz SNHPEPHUNZJLQS-MNOVXSKESA-N 0 1 323.397 1.629 10 0 DDAEMN CC(C)CCc1noc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000247196874 408428005 /nfs/dbraw/zinc/42/80/05/408428005.db2.gz OQNBGYLLTVJGTG-KBPBESRZSA-N 0 1 310.442 1.545 10 0 DDAEMN Cc1ccsc1CNC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177765982 408706759 /nfs/dbraw/zinc/70/67/59/408706759.db2.gz GTFGITUALFTYHT-CQSZACIVSA-N 0 1 307.463 1.843 10 0 DDAEMN CCc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n[nH]1 ZINC000249368551 408719703 /nfs/dbraw/zinc/71/97/03/408719703.db2.gz VVEGUZNKLAGTOS-GWCFXTLKSA-N 0 1 308.332 1.953 10 0 DDAEMN C[C@H](C[S@@](C)=O)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000184758153 408682626 /nfs/dbraw/zinc/68/26/26/408682626.db2.gz VDHSHZRTZALPSU-BRZCCTTDSA-N 0 1 311.451 1.356 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)C(=O)NC3CCCCC3)CCO2)n[nH]1 ZINC000252465299 408795941 /nfs/dbraw/zinc/79/59/41/408795941.db2.gz PVXMQAJPVLLLPT-RISCZKNCSA-N 0 1 321.425 1.324 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000194148170 408767818 /nfs/dbraw/zinc/76/78/18/408767818.db2.gz COCOQNIFVMSTMS-ZDUSSCGKSA-N 0 1 309.797 1.879 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1CCCOc1ccc2c(c1)OCO2 ZINC000189330848 163096312 /nfs/dbraw/zinc/09/63/12/163096312.db2.gz IOGQFVAWNZMUSS-GFCCVEGCSA-N 0 1 306.362 1.395 10 0 DDAEMN CCc1n[nH]c(C2CCN(Cc3nnc(CC)n3C)CC2)n1 ZINC000190655253 163151347 /nfs/dbraw/zinc/15/13/47/163151347.db2.gz CYOIFPFBSYGXLY-UHFFFAOYSA-N 0 1 303.414 1.438 10 0 DDAEMN CCc1nnc(C2CCN(Cc3nnc(CC)n3C)CC2)[nH]1 ZINC000190655253 163151350 /nfs/dbraw/zinc/15/13/50/163151350.db2.gz CYOIFPFBSYGXLY-UHFFFAOYSA-N 0 1 303.414 1.438 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCCCN3CC)CCO2)cn1 ZINC000191717881 163199129 /nfs/dbraw/zinc/19/91/29/163199129.db2.gz NSXKSNDXOSYFPT-CVEARBPZSA-N 0 1 320.437 1.677 10 0 DDAEMN O=C(CNC(=O)c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000195319693 163317356 /nfs/dbraw/zinc/31/73/56/163317356.db2.gz PEDUZCUVRBGILY-OAHLLOKOSA-N 0 1 319.380 1.252 10 0 DDAEMN CCCCO[C@@H](C)C(=O)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262989623 163900988 /nfs/dbraw/zinc/90/09/88/163900988.db2.gz VKBWQXSDIIPZSC-ZDUSSCGKSA-N 0 1 314.426 1.589 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193071494 222142470 /nfs/dbraw/zinc/14/24/70/222142470.db2.gz LWSDKMFBTLGUKK-LLVKDONJSA-N 0 1 310.785 1.274 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2cccc(O)c2)CC1 ZINC000492521974 420582377 /nfs/dbraw/zinc/58/23/77/420582377.db2.gz NSKUEIMVKSLIBA-XHPSBEMXSA-N 0 1 304.390 1.321 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cccc(O)c2)CCN1C[C@H](C)O ZINC000492697393 420632458 /nfs/dbraw/zinc/63/24/58/420632458.db2.gz ACZSUQUSABMVFF-HJYQMELSSA-N 0 1 318.417 1.709 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(Br)cn1 ZINC000562311571 421350929 /nfs/dbraw/zinc/35/09/29/421350929.db2.gz OURFMFPBOYJKKW-PWSUYJOCSA-N 0 1 314.227 1.825 10 0 DDAEMN C/C(=C\c1ccccc1)CN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000628376165 422156645 /nfs/dbraw/zinc/15/66/45/422156645.db2.gz IFTRSYMWKSGZQF-OUJLILQFSA-N 0 1 313.401 1.948 10 0 DDAEMN C/C=C/CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649620 422239689 /nfs/dbraw/zinc/23/96/89/422239689.db2.gz KKRZKINWTDTVPD-TZARZLCXSA-N 0 1 302.374 1.797 10 0 DDAEMN C/C=C/CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649620 422239693 /nfs/dbraw/zinc/23/96/93/422239693.db2.gz KKRZKINWTDTVPD-TZARZLCXSA-N 0 1 302.374 1.797 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653691 422244603 /nfs/dbraw/zinc/24/46/03/422244603.db2.gz UUABSQJTIWSKKM-CFVMTHIKSA-N 0 1 322.380 1.969 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653691 422244608 /nfs/dbraw/zinc/24/46/08/422244608.db2.gz UUABSQJTIWSKKM-CFVMTHIKSA-N 0 1 322.380 1.969 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630676343 422261453 /nfs/dbraw/zinc/26/14/53/422261453.db2.gz WUEYGYACCIBEON-UQOMUDLDSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630676343 422261460 /nfs/dbraw/zinc/26/14/60/422261460.db2.gz WUEYGYACCIBEON-UQOMUDLDSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N(C)C[C@H]1CCCO1 ZINC000637908822 422468069 /nfs/dbraw/zinc/46/80/69/422468069.db2.gz KZVNLCZPFRKBGR-NUEKZKHPSA-N 0 1 306.406 1.556 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)CCCOC)CCN1C[C@@H](C)O ZINC000182050934 263371456 /nfs/dbraw/zinc/37/14/56/263371456.db2.gz XLSYBCQUJDJOEB-RRFJBIMHSA-N 0 1 300.443 1.353 10 0 DDAEMN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000643854988 423381671 /nfs/dbraw/zinc/38/16/71/423381671.db2.gz PSECNACKUNHGAZ-MNOVXSKESA-N 0 1 304.398 1.787 10 0 DDAEMN CN1C[C@@H](CNCc2ncc(Br)s2)CC1=O ZINC000657696473 424478518 /nfs/dbraw/zinc/47/85/18/424478518.db2.gz UXAYCPHZWJWNHW-SSDOTTSWSA-N 0 1 304.213 1.474 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cccc(C(=O)OC)c2)CC1 ZINC000174077930 276597586 /nfs/dbraw/zinc/59/75/86/276597586.db2.gz VRXNDSYSWNGCAD-INIZCTEOSA-N 0 1 306.406 1.362 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000123475368 281172126 /nfs/dbraw/zinc/17/21/26/281172126.db2.gz OEIGWASLPAMUOY-GOSISDBHSA-N 0 1 304.434 1.843 10 0 DDAEMN Cn1cnnc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129983577 281363972 /nfs/dbraw/zinc/36/39/72/281363972.db2.gz RQJPMQBMPIYFKR-LBPRGKRZSA-N 0 1 309.414 1.552 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@H](C)SC)C[C@H]1CC ZINC000246726896 282010287 /nfs/dbraw/zinc/01/02/87/282010287.db2.gz ZDCNYTNVNFFUEQ-UONOGXRCSA-N 0 1 317.499 1.880 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2CCN2C[C@H]3CC[C@@H](C2)O3)n[nH]1 ZINC000328692426 293365825 /nfs/dbraw/zinc/36/58/25/293365825.db2.gz RRSMDSKYVQNHSA-ZNMIVQPWSA-N 0 1 305.426 1.503 10 0 DDAEMN CN1CC[C@@H]([N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423159 300394119 /nfs/dbraw/zinc/39/41/19/300394119.db2.gz OYJGFHSBAWPSBO-MWLCHTKSSA-N 0 1 316.327 1.839 10 0 DDAEMN CN1CC[C@@H](N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423159 300394120 /nfs/dbraw/zinc/39/41/20/300394120.db2.gz OYJGFHSBAWPSBO-MWLCHTKSSA-N 0 1 316.327 1.839 10 0 DDAEMN Cc1noc([C@@]2(O)CCN(CCc3ccc(F)c(F)c3)C2)n1 ZINC000375941246 307234648 /nfs/dbraw/zinc/23/46/48/307234648.db2.gz KCTKBXSGPMHFFB-OAHLLOKOSA-N 0 1 309.316 1.792 10 0 DDAEMN Cc1cc(COCC(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)on1 ZINC000328741243 533743718 /nfs/dbraw/zinc/74/37/18/533743718.db2.gz NJMMQDYFIASONO-ZDUSSCGKSA-N 0 1 319.365 1.680 10 0 DDAEMN COCCN1CCN(Cc2ccc(OC(C)=O)cc2)C[C@@H]1C ZINC000123089460 696728569 /nfs/dbraw/zinc/72/85/69/696728569.db2.gz UUTLJSCVVXBRGO-AWEZNQCLSA-N 0 1 306.406 1.764 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c(Cl)n1 ZINC000189588164 697577401 /nfs/dbraw/zinc/57/74/01/697577401.db2.gz DBZJNIRRINEFHN-SNVBAGLBSA-N 0 1 303.815 1.368 10 0 DDAEMN O=C(COc1ccc2c(c1)OCO2)N[C@@H]1CN2CCC1CC2 ZINC000222536303 697756962 /nfs/dbraw/zinc/75/69/62/697756962.db2.gz KGNJEDMCXFBQIW-CYBMUJFWSA-N 0 1 304.346 1.005 10 0 DDAEMN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H]1CN2CCC1CC2 ZINC000222544984 697757888 /nfs/dbraw/zinc/75/78/88/697757888.db2.gz WFOUHUHIGDNGRK-FZMZJTMJSA-N 0 1 318.373 1.393 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@](C)(O)c2ccccc2)C[C@H]1C ZINC000247080460 698361445 /nfs/dbraw/zinc/36/14/45/698361445.db2.gz HAIBVLVNRJMMOD-AEFFLSMTSA-N 0 1 306.450 1.937 10 0 DDAEMN CCn1c(C)nn(CN2CCN(CCOC)[C@@H](C)C2)c1=S ZINC000247171822 698362459 /nfs/dbraw/zinc/36/24/59/698362459.db2.gz RFFOURHFGCZOHT-LBPRGKRZSA-N 0 1 313.471 1.352 10 0 DDAEMN C[C@H](C(=O)[O-])[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C1CC1 ZINC000263141123 698492931 /nfs/dbraw/zinc/49/29/31/698492931.db2.gz OHHCFJDNKJHTMC-LLVKDONJSA-N 0 1 319.361 1.662 10 0 DDAEMN CCn1ccnc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705672860 699241338 /nfs/dbraw/zinc/24/13/38/699241338.db2.gz DUBDGPSSRJEYTB-STQMWFEESA-N 0 1 324.425 1.220 10 0 DDAEMN O=C(c1cccc(Br)n1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720616627 699306828 /nfs/dbraw/zinc/30/68/28/699306828.db2.gz HDRPNNUBNJBDNO-MRVPVSSYSA-N 0 1 323.154 1.335 10 0 DDAEMN CNC(=O)c1nc(C2CC[NH+]([C@@H](C)c3ncc(C)o3)CC2)n[n-]1 ZINC000818242388 702614441 /nfs/dbraw/zinc/61/44/41/702614441.db2.gz HUYFMDQEDKQHSZ-JTQLQIEISA-N 0 1 318.381 1.401 10 0 DDAEMN CC(=O)N1C[C@H](NCc2ccn(C)n2)CC[C@H]1C(F)(F)F ZINC000886035926 708686342 /nfs/dbraw/zinc/68/63/42/708686342.db2.gz TZCYNKOAKJZETQ-NEPJUHHUSA-N 0 1 304.316 1.452 10 0 DDAEMN CC(=O)NC1(c2noc([C@]3(N)CCN(C)C3)n2)CCCCCC1 ZINC000886077789 708693299 /nfs/dbraw/zinc/69/32/99/708693299.db2.gz FYBHIHMFMOHCJR-HNNXBMFYSA-N 0 1 321.425 1.245 10 0 DDAEMN O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900396887 709575895 /nfs/dbraw/zinc/57/58/95/709575895.db2.gz WKUIGOYPHHNZJC-OLZOCXBDSA-N 0 1 312.333 1.381 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCN1C[C@H](C)O ZINC000248443048 282083195 /nfs/dbraw/zinc/08/31/95/282083195.db2.gz AXNSFVCNAJDXSX-MJBXVCDLSA-N 0 1 315.483 1.369 10 0 DDAEMN C[C@H](CS(C)(=O)=O)NCc1ccc(O)c(Br)c1 ZINC000081902625 192336468 /nfs/dbraw/zinc/33/64/68/192336468.db2.gz QIARQJRJJHFYQL-MRVPVSSYSA-N 0 1 322.224 1.677 10 0 DDAEMN CCC[C@H](CCNC(=O)NCC[N@@H+](C)CC)CCC(=O)[O-] ZINC000079234242 185162180 /nfs/dbraw/zinc/16/21/80/185162180.db2.gz LBEGQFNRVUGWIN-ZDUSSCGKSA-N 0 1 301.431 1.909 10 0 DDAEMN C[C@]1(c2ncc(I)c(=O)[nH]2)CCCCO1 ZINC000087761348 185231608 /nfs/dbraw/zinc/23/16/08/185231608.db2.gz ROCPVFMRZMZRJM-SNVBAGLBSA-N 0 1 320.130 1.790 10 0 DDAEMN Cn1cnnc1CCn1c(N)nc2ccc(Br)cc21 ZINC000087837591 185233073 /nfs/dbraw/zinc/23/30/73/185233073.db2.gz QDDOOBFVOKITNJ-UHFFFAOYSA-N 0 1 321.182 1.752 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1C[C@H]1COCCO1 ZINC000087837014 185233171 /nfs/dbraw/zinc/23/31/71/185233171.db2.gz CBVMKIWTTGUNGO-VIFPVBQESA-N 0 1 312.167 1.796 10 0 DDAEMN Cc1c(Br)cccc1C(=O)N[C@@H](C)c1nn[nH]n1 ZINC000088441876 185250731 /nfs/dbraw/zinc/25/07/31/185250731.db2.gz XFAOXNCGQZTEOG-ZETCQYMHSA-N 0 1 310.155 1.762 10 0 DDAEMN N[C@@H](Cc1ccccc1)C(=O)Nc1cnc(Br)cn1 ZINC000088446335 185251263 /nfs/dbraw/zinc/25/12/63/185251263.db2.gz YCRIXIPIENZRRA-JTQLQIEISA-N 0 1 321.178 1.748 10 0 DDAEMN NCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)o1 ZINC000088541838 185255618 /nfs/dbraw/zinc/25/56/18/185255618.db2.gz RGQFLBPFPWIWGY-UHFFFAOYSA-N 0 1 300.767 1.870 10 0 DDAEMN C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCNC[C@@H]1C(=O)[O-] ZINC000088658963 185261924 /nfs/dbraw/zinc/26/19/24/185261924.db2.gz FBINAMBTJIAQKZ-JOYOIKCWSA-N 0 1 300.305 1.707 10 0 DDAEMN C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCNC[C@@H]1C(=O)[O-] ZINC000088658963 185261925 /nfs/dbraw/zinc/26/19/25/185261925.db2.gz FBINAMBTJIAQKZ-JOYOIKCWSA-N 0 1 300.305 1.707 10 0 DDAEMN CCc1nc(CN2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)n[nH]1 ZINC000623173457 365697895 /nfs/dbraw/zinc/69/78/95/365697895.db2.gz GYEPYDGKSOGSNG-MWLCHTKSSA-N 0 1 318.381 1.590 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)Cc1ccc(CO)cc1 ZINC000088895167 185270140 /nfs/dbraw/zinc/27/01/40/185270140.db2.gz DOKVTHNJMLCDPC-UHFFFAOYSA-N 0 1 314.451 1.282 10 0 DDAEMN CNCc1cn(CC(=O)Nc2ncc(Cl)cc2Cl)nn1 ZINC000090295356 185290035 /nfs/dbraw/zinc/29/00/35/185290035.db2.gz PSQWMZFIOYQZOC-UHFFFAOYSA-N 0 1 315.164 1.338 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cn1 ZINC000092671401 185332788 /nfs/dbraw/zinc/33/27/88/185332788.db2.gz XZSMGFKOPUHXDN-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000092625664 185329642 /nfs/dbraw/zinc/32/96/42/185329642.db2.gz VFBLQPWJNUMYHA-SECBINFHSA-N 0 1 318.420 1.161 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N(C)C[C@H]2CCCN2C)cc1N ZINC000092622308 185329654 /nfs/dbraw/zinc/32/96/54/185329654.db2.gz IWIQSTMADXVNRE-LLVKDONJSA-N 0 1 315.414 1.431 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(N)ccc1F ZINC000092622742 185329927 /nfs/dbraw/zinc/32/99/27/185329927.db2.gz SUFKNJUQEZADEK-LBPRGKRZSA-N 0 1 315.414 1.513 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000092627873 185330468 /nfs/dbraw/zinc/33/04/68/185330468.db2.gz ZWVXMTRZWUSDQL-NSHDSACASA-N 0 1 317.842 1.840 10 0 DDAEMN O=C1[C@H]2Cc3nc[nH]c3CN2C(=O)N1c1ccccc1Cl ZINC000092779331 185340448 /nfs/dbraw/zinc/34/04/48/185340448.db2.gz RQULYJNQPXBZHL-GFCCVEGCSA-N 0 1 302.721 1.957 10 0 DDAEMN CNC(=O)NC(=O)CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181403305 199291745 /nfs/dbraw/zinc/29/17/45/199291745.db2.gz IQHIWSIFILOLND-GFCCVEGCSA-N 0 1 307.394 1.828 10 0 DDAEMN COc1ccc(S(=O)(=O)N2[C@H](C)CNC[C@H]2C)c(OC)c1 ZINC000069134042 190800948 /nfs/dbraw/zinc/80/09/48/190800948.db2.gz CSKWYUWFQWWWEZ-GHMZBOCLSA-N 0 1 314.407 1.075 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(C)s3)CCO2)n[nH]1 ZINC000173560697 198227287 /nfs/dbraw/zinc/22/72/87/198227287.db2.gz HGKMLJJGRLZZCK-JTQLQIEISA-N 0 1 306.391 1.951 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccnc3C)CCO2)n[nH]1 ZINC000173564410 198227703 /nfs/dbraw/zinc/22/77/03/198227703.db2.gz VEFGKECEMWGLHH-GFCCVEGCSA-N 0 1 301.350 1.284 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccnc(Cl)c3)CCO2)n[nH]1 ZINC000173566087 198227746 /nfs/dbraw/zinc/22/77/46/198227746.db2.gz NFYIWEUTXTXZKM-JTQLQIEISA-N 0 1 321.768 1.629 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000174295761 198316276 /nfs/dbraw/zinc/31/62/76/198316276.db2.gz CVMUZLMMXCCUFS-QWHCGFSZSA-N 0 1 310.825 1.796 10 0 DDAEMN CCCNC(=O)c1ccc(N2CCN(CCOC)[C@H](C)C2)nc1 ZINC000174734592 198377468 /nfs/dbraw/zinc/37/74/68/198377468.db2.gz BSCHNGCXBODNES-CQSZACIVSA-N 0 1 320.437 1.378 10 0 DDAEMN CO[C@H](c1ncc(I)c(=O)[nH]1)C1CC1 ZINC000131486681 354100458 /nfs/dbraw/zinc/10/04/58/354100458.db2.gz JARMBSSMAPEDNT-ZETCQYMHSA-N 0 1 306.103 1.472 10 0 DDAEMN O=C(CCc1ccccc1)Nc1cnc(-n2cccn2)[nH]c1=O ZINC000166369438 354249545 /nfs/dbraw/zinc/24/95/45/354249545.db2.gz NMGWIMOITSAFBD-UHFFFAOYSA-N 0 1 309.329 1.939 10 0 DDAEMN C[C@@H]1CN(c2ncc(I)cn2)CCN1C ZINC000159220194 354233267 /nfs/dbraw/zinc/23/32/67/354233267.db2.gz PSCXOZLRHASOSH-MRVPVSSYSA-N 0 1 318.162 1.222 10 0 DDAEMN CNc1nc(CNS(=O)(=O)c2c(C)noc2C)cs1 ZINC000074803017 191363756 /nfs/dbraw/zinc/36/37/56/191363756.db2.gz ZPKZTWVMQWLNHV-UHFFFAOYSA-N 0 1 302.381 1.268 10 0 DDAEMN CC(=O)c1csc(NS(=O)(=O)N2CCCC[C@@H]2C)n1 ZINC000080835637 192194419 /nfs/dbraw/zinc/19/44/19/192194419.db2.gz PKVKXAAFLVMPJY-QMMMGPOBSA-N 0 1 303.409 1.877 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000080868762 192197402 /nfs/dbraw/zinc/19/74/02/192197402.db2.gz OJGHZTDGIMSVQP-ZCFIWIBFSA-N 0 1 316.408 1.829 10 0 DDAEMN Clc1ccc(N2CCn3cnnc3C2)nc1CNC1CC1 ZINC000081542615 192288128 /nfs/dbraw/zinc/28/81/28/192288128.db2.gz DYFHVWSTQXQRIE-UHFFFAOYSA-N 0 1 304.785 1.599 10 0 DDAEMN NCc1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cs1 ZINC000089008648 192695018 /nfs/dbraw/zinc/69/50/18/192695018.db2.gz YBEQAPIVKLJUJM-UHFFFAOYSA-N 0 1 314.354 1.922 10 0 DDAEMN [NH3+]C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C1CCCC1 ZINC000194770105 201285988 /nfs/dbraw/zinc/28/59/88/201285988.db2.gz WVKYOUVNNHHAEP-LBPRGKRZSA-N 0 1 322.352 1.900 10 0 DDAEMN C[C@H](CO)CSC[C@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000091258750 193027491 /nfs/dbraw/zinc/02/74/91/193027491.db2.gz ONQXHRHOQNTTGL-MLGOLLRUSA-N 0 1 308.447 1.481 10 0 DDAEMN CCn1nc(C)c(Br)c1CNCC1CC(O)C1 ZINC000091524553 193068841 /nfs/dbraw/zinc/06/88/41/193068841.db2.gz ILQGTGARLQCCCT-UHFFFAOYSA-N 0 1 302.216 1.834 10 0 DDAEMN O=C([O-])C=Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)s1 ZINC000091756149 193102996 /nfs/dbraw/zinc/10/29/96/193102996.db2.gz HGKDYDFTPVTCPR-FSIBCCDJSA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([O-])C=Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)s1 ZINC000091756149 193102998 /nfs/dbraw/zinc/10/29/98/193102998.db2.gz HGKDYDFTPVTCPR-FSIBCCDJSA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1cc(Cl)cs1)N1CCNCC1 ZINC000093096133 193203374 /nfs/dbraw/zinc/20/33/74/193203374.db2.gz POORLWVNBBTMIR-ZDUSSCGKSA-N 0 1 313.854 1.798 10 0 DDAEMN CCOC(=O)C[C@@H](NC(=O)C[C@H]1COCCN1)c1ccccc1 ZINC000262310994 203258268 /nfs/dbraw/zinc/25/82/68/203258268.db2.gz BUOUDRSXFFEAGK-LSDHHAIUSA-N 0 1 320.389 1.176 10 0 DDAEMN CC(C)[N@@H+](CCCC(=O)[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698188 193292874 /nfs/dbraw/zinc/29/28/74/193292874.db2.gz CBIBJHLZSTZMEV-CYBMUJFWSA-N 0 1 320.455 1.233 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)NCCN1CCCCC1 ZINC000093648623 193283291 /nfs/dbraw/zinc/28/32/91/193283291.db2.gz DSTHYUVQMCHACD-UHFFFAOYSA-N 0 1 311.451 1.650 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000094360569 193365657 /nfs/dbraw/zinc/36/56/57/193365657.db2.gz NGZDIQIUNACVLL-NSHDSACASA-N 0 1 301.387 1.041 10 0 DDAEMN Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)sc1/C=C/C(=O)[O-] ZINC000094537742 193378272 /nfs/dbraw/zinc/37/82/72/193378272.db2.gz MEJLPLVSJUKAEG-QRGHLMKCSA-N 0 1 308.403 1.978 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3cccnc3)CCO2)n[nH]1 ZINC000130034706 248283702 /nfs/dbraw/zinc/28/37/02/248283702.db2.gz RQMNIAXVOWNGLK-LLVKDONJSA-N 0 1 302.338 1.368 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000040503103 183084544 /nfs/dbraw/zinc/08/45/44/183084544.db2.gz QFEPCIDJDRWQBS-VIFPVBQESA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000040503103 183084545 /nfs/dbraw/zinc/08/45/45/183084545.db2.gz QFEPCIDJDRWQBS-VIFPVBQESA-N 0 1 318.420 1.209 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)NCCN2CCC(C)CC2)c1 ZINC000040771149 183131211 /nfs/dbraw/zinc/13/12/11/183131211.db2.gz MSDHPTJGOUXVGD-UHFFFAOYSA-N 0 1 311.451 1.587 10 0 DDAEMN Nc1cccc(NC(=O)CCSc2nc(N)cc(N)n2)c1 ZINC000041023456 183156406 /nfs/dbraw/zinc/15/64/06/183156406.db2.gz RRSMKLXKHYCPCU-UHFFFAOYSA-N 0 1 304.379 1.344 10 0 DDAEMN Cc1c(Cl)cccc1NS(=O)(=O)c1cnc(NN)nc1 ZINC000041071042 183162186 /nfs/dbraw/zinc/16/21/86/183162186.db2.gz QFTJDRUIFIVMIF-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN Cc1ccc(Cl)cc1NS(=O)(=O)c1cnc(NN)nc1 ZINC000041071014 183162394 /nfs/dbraw/zinc/16/23/94/183162394.db2.gz BGJLOOBIGIYQAQ-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN N[C@@H](CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000041532429 183199091 /nfs/dbraw/zinc/19/90/91/183199091.db2.gz FRVWPUCRJQPMGB-ZDUSSCGKSA-N 0 1 305.355 1.889 10 0 DDAEMN CC(C)CN(CC(C)C)S(=O)(=O)c1cnc(NN)nc1 ZINC000042034716 183230233 /nfs/dbraw/zinc/23/02/33/183230233.db2.gz LGAXXHBMWHHZIA-UHFFFAOYSA-N 0 1 301.416 1.065 10 0 DDAEMN Cc1sc2[nH]c(C[N@H+](C)CCCC(=O)[O-])nc(=O)c2c1C ZINC000042716786 183302122 /nfs/dbraw/zinc/30/21/22/183302122.db2.gz IZXNTSMLXIYPCJ-UHFFFAOYSA-N 0 1 309.391 1.898 10 0 DDAEMN Cc1sc2[nH]c(C[N@@H+](C)CCCC(=O)[O-])nc(=O)c2c1C ZINC000042716786 183302126 /nfs/dbraw/zinc/30/21/26/183302126.db2.gz IZXNTSMLXIYPCJ-UHFFFAOYSA-N 0 1 309.391 1.898 10 0 DDAEMN Cc1ccc(C(N)=O)cc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105024546 194065475 /nfs/dbraw/zinc/06/54/75/194065475.db2.gz MNVZZJLMCPQGGY-AWEZNQCLSA-N 0 1 316.405 1.796 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(=O)OC)co2)CCN1C[C@@H](C)O ZINC000105827968 194138502 /nfs/dbraw/zinc/13/85/02/194138502.db2.gz HYPAXRAMFJAQGT-TZMCWYRMSA-N 0 1 310.394 1.343 10 0 DDAEMN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886655 194156761 /nfs/dbraw/zinc/15/67/61/194156761.db2.gz CDXQHKMVDACELM-ZDUSSCGKSA-N 0 1 321.425 1.218 10 0 DDAEMN O=C([O-])c1nc(N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000110345528 194324277 /nfs/dbraw/zinc/32/42/77/194324277.db2.gz BPKVYEHHDHRCGL-JTQLQIEISA-N 0 1 311.769 1.344 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccc(N)cc2Cl)CCN1C ZINC000110703339 194352450 /nfs/dbraw/zinc/35/24/50/194352450.db2.gz WWEVSYAUUVPUMF-LBPRGKRZSA-N 0 1 310.829 1.887 10 0 DDAEMN C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000061171726 184164149 /nfs/dbraw/zinc/16/41/49/184164149.db2.gz ZRTSDEAFZDXJSB-UHFFFAOYSA-N 0 1 319.810 1.909 10 0 DDAEMN CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C[C@@H](C)C(=O)[O-] ZINC000061221308 184166068 /nfs/dbraw/zinc/16/60/68/184166068.db2.gz YBMKLSQASBMIRF-SECBINFHSA-N 0 1 300.305 1.946 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000062878435 184258158 /nfs/dbraw/zinc/25/81/58/184258158.db2.gz SFGTUVYSOMAFNL-HNNXBMFYSA-N 0 1 300.399 1.106 10 0 DDAEMN Cc1cccc(N)c1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062975750 184264408 /nfs/dbraw/zinc/26/44/08/184264408.db2.gz CLKXGFVWPHXTAU-CYBMUJFWSA-N 0 1 309.435 1.436 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000118856325 194936632 /nfs/dbraw/zinc/93/66/32/194936632.db2.gz HJWSOPZPYRZBFR-QGZVFWFLSA-N 0 1 323.481 1.309 10 0 DDAEMN CCc1nc(CN2CCN(c3nc4ccccc4o3)CC2)n[nH]1 ZINC000158342301 197263943 /nfs/dbraw/zinc/26/39/43/197263943.db2.gz OIVJIKWEANXVFP-UHFFFAOYSA-N 0 1 312.377 1.831 10 0 DDAEMN COCCOc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000120657401 195210137 /nfs/dbraw/zinc/21/01/37/195210137.db2.gz IUDFBGGEOHIPPU-JKSUJKDBSA-N 0 1 322.449 1.599 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(N)=O)cs2)CCN1C[C@@H](C)O ZINC000120758173 195231628 /nfs/dbraw/zinc/23/16/28/195231628.db2.gz IFHCBFIEENBCRT-YPMHNXCESA-N 0 1 311.451 1.124 10 0 DDAEMN COCCN1CCN(Cc2ccccc2C(=O)OC)C[C@H]1C ZINC000120773346 195234922 /nfs/dbraw/zinc/23/49/22/195234922.db2.gz FEIXIJQFBFHPOR-CQSZACIVSA-N 0 1 306.406 1.626 10 0 DDAEMN CN1[C@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000248000570 257112344 /nfs/dbraw/zinc/11/23/44/257112344.db2.gz AKJUTMYSENMYEK-YESZJQIVSA-N 0 1 314.433 1.112 10 0 DDAEMN O=C([C@@H]1CN(Cc2cccnc2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247768583 257118565 /nfs/dbraw/zinc/11/85/65/257118565.db2.gz MNIMRTXGDFPJQO-OAGGEKHMSA-N 0 1 317.389 1.082 10 0 DDAEMN CC(C)C[C@H](NC(=O)C1(N(C)C)Cc2ccccc2C1)C(N)=O ZINC000012027596 406834471 /nfs/dbraw/zinc/83/44/71/406834471.db2.gz NXMAMEHFCZDKNC-HNNXBMFYSA-N 0 1 317.433 1.102 10 0 DDAEMN CCOC(=O)N[C@H]1CCCN(C[C@H](O)COC(C)(C)C)C1 ZINC000047796511 407080609 /nfs/dbraw/zinc/08/06/09/407080609.db2.gz RDAOFMBIFYXTSJ-STQMWFEESA-N 0 1 302.415 1.373 10 0 DDAEMN O=C([N-]CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)C(F)(F)F ZINC000091594721 407181624 /nfs/dbraw/zinc/18/16/24/407181624.db2.gz BWGMUTUHVBPQGD-GFCCVEGCSA-N 0 1 317.311 1.603 10 0 DDAEMN O=C([N-]CCC[N@H+]1CC[C@@H](Oc2cccnc2)C1)C(F)(F)F ZINC000091594721 407181626 /nfs/dbraw/zinc/18/16/26/407181626.db2.gz BWGMUTUHVBPQGD-GFCCVEGCSA-N 0 1 317.311 1.603 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@@H](CNCC(=O)c2cnccn2)C1 ZINC000095083956 407206359 /nfs/dbraw/zinc/20/63/59/407206359.db2.gz OCJPWUKGKIGKSI-LBPRGKRZSA-N 0 1 320.393 1.506 10 0 DDAEMN CC(C)(C)OC(=O)N1CCC[C@H](NCc2nccc(N)n2)CC1 ZINC000097139124 407282085 /nfs/dbraw/zinc/28/20/85/407282085.db2.gz DAVHNLSMJHLSFP-LBPRGKRZSA-N 0 1 321.425 1.938 10 0 DDAEMN CC1CCN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000105883199 407356700 /nfs/dbraw/zinc/35/67/00/407356700.db2.gz DSUKUGMPTLFLLJ-OAHLLOKOSA-N 0 1 305.426 1.249 10 0 DDAEMN CCc1ccc([C@@H]2CCCCN2CCN2C(=O)CNC2=O)o1 ZINC000124898798 407373427 /nfs/dbraw/zinc/37/34/27/407373427.db2.gz PJVVOIJAWZOUFJ-ZDUSSCGKSA-N 0 1 305.378 1.921 10 0 DDAEMN CN1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119430 407395215 /nfs/dbraw/zinc/39/52/15/407395215.db2.gz MUYBFCHRQXFKKQ-UONOGXRCSA-N 0 1 323.387 1.432 10 0 DDAEMN Cc1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)ccc1C(N)=O ZINC000111760747 407415790 /nfs/dbraw/zinc/41/57/90/407415790.db2.gz HZOAYVVQUGZGAP-CQSZACIVSA-N 0 1 316.405 1.796 10 0 DDAEMN CCOc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000112548320 407432084 /nfs/dbraw/zinc/43/20/84/407432084.db2.gz LUAQUSUXCUTMDI-CJNGLKHVSA-N 0 1 321.421 1.333 10 0 DDAEMN C[C@]1(C(N)=O)CCCCN1C[C@H](O)COCc1ccccc1 ZINC000185925253 407541391 /nfs/dbraw/zinc/54/13/91/407541391.db2.gz JUXJCLGIOVGCAQ-DOTOQJQBSA-N 0 1 306.406 1.294 10 0 DDAEMN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000171186126 407620264 /nfs/dbraw/zinc/62/02/64/407620264.db2.gz NNHSLTBNOZEYML-RKDXNWHRSA-N 0 1 320.736 1.873 10 0 DDAEMN CCN(C)C(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000130348588 407681415 /nfs/dbraw/zinc/68/14/15/407681415.db2.gz WFGIRVXOKSOGTC-KRWDZBQOSA-N 0 1 319.449 1.206 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000262040902 407720266 /nfs/dbraw/zinc/72/02/66/407720266.db2.gz GFRHSZATYSKDPH-NSHDSACASA-N 0 1 319.386 1.657 10 0 DDAEMN Cn1cc([C@@H]2CCN(Cc3nc(N)c4ccccc4n3)C2)cn1 ZINC000116316253 407742300 /nfs/dbraw/zinc/74/23/00/407742300.db2.gz GCYYKJNHTVTPRO-GFCCVEGCSA-N 0 1 308.389 1.935 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116518635 407758959 /nfs/dbraw/zinc/75/89/59/407758959.db2.gz VRHCRHWNVODGQX-CQSZACIVSA-N 0 1 316.409 1.583 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000262232991 407773212 /nfs/dbraw/zinc/77/32/12/407773212.db2.gz GZNAFGVPLAARMQ-USWWRNFRSA-N 0 1 302.296 1.651 10 0 DDAEMN Cc1cccc(NC[C@@H]2CCN(Cc3noc(CN)n3)C2)n1 ZINC000262237027 407773391 /nfs/dbraw/zinc/77/33/91/407773391.db2.gz ORSCPSOOJXLGDB-LBPRGKRZSA-N 0 1 302.382 1.166 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000262305775 407790791 /nfs/dbraw/zinc/79/07/91/407790791.db2.gz OKEWWTHDLOXCMA-CQSZACIVSA-N 0 1 305.378 1.225 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccccc2O)CCN1CCOC ZINC000117299610 407825274 /nfs/dbraw/zinc/82/52/74/407825274.db2.gz OUYXETSURGOOAT-MRXNPFEDSA-N 0 1 320.433 1.894 10 0 DDAEMN COCCN1CCN(Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000180086454 407853128 /nfs/dbraw/zinc/85/31/28/407853128.db2.gz KYURLJQCTPEPNZ-AWEZNQCLSA-N 0 1 308.470 1.870 10 0 DDAEMN CCCSCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262720601 407908030 /nfs/dbraw/zinc/90/80/30/407908030.db2.gz PLBDQFZEDALCDP-UHFFFAOYSA-N 0 1 314.451 1.573 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c(F)cccc2OC)C1 ZINC000262726649 407909140 /nfs/dbraw/zinc/90/91/40/407909140.db2.gz STJQHCRTGGOJHQ-UHFFFAOYSA-N 0 1 324.352 1.502 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000262884083 407960783 /nfs/dbraw/zinc/96/07/83/407960783.db2.gz FURHUQLPUGFRSO-AWEZNQCLSA-N 0 1 322.380 1.766 10 0 DDAEMN C[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000154393571 408028840 /nfs/dbraw/zinc/02/88/40/408028840.db2.gz DTNSKOCDJGVESU-ZDUSSCGKSA-N 0 1 317.433 1.593 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000245698732 408044901 /nfs/dbraw/zinc/04/49/01/408044901.db2.gz CSQVJMSQKHSJSN-GJZGRUSLSA-N 0 1 314.433 1.964 10 0 DDAEMN CCc1noc([C@H](C)N2CCN(CC[C@@H]3CCCO3)CC2)n1 ZINC000189189626 408002891 /nfs/dbraw/zinc/00/28/91/408002891.db2.gz LJLZSXKPKFXNLT-KBPBESRZSA-N 0 1 308.426 1.880 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000263226483 408065766 /nfs/dbraw/zinc/06/57/66/408065766.db2.gz GOXCMQRXIABAMF-PWSUYJOCSA-N 0 1 312.439 1.287 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000263240343 408069664 /nfs/dbraw/zinc/06/96/64/408069664.db2.gz KYZKTZLBYJBRGT-NSHDSACASA-N 0 1 320.418 1.809 10 0 DDAEMN CO[C@H](C)c1nc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cs1 ZINC000175188783 408073066 /nfs/dbraw/zinc/07/30/66/408073066.db2.gz ADYLXRKHYFSSNO-JHJVBQTASA-N 0 1 313.467 1.737 10 0 DDAEMN CCSCC[C@H](C)NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245842093 408075017 /nfs/dbraw/zinc/07/50/17/408075017.db2.gz CVIARTIYEWHTFR-IHRRRGAJSA-N 0 1 317.499 1.615 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000263264227 408082390 /nfs/dbraw/zinc/08/23/90/408082390.db2.gz UOIHAYOOIDOHIB-CQSZACIVSA-N 0 1 319.430 1.751 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)C3CCCC3)CCO2)n[nH]1 ZINC000175537169 408154686 /nfs/dbraw/zinc/15/46/86/408154686.db2.gz BJUSVCGZDLFUCJ-GXFFZTMASA-N 0 1 307.398 1.775 10 0 DDAEMN C[N@@H+](Cc1cncs1)C1CCN(CCn2cccn2)CC1 ZINC000121197479 408161990 /nfs/dbraw/zinc/16/19/90/408161990.db2.gz MKXHZPQCVDJCSO-UHFFFAOYSA-N 0 1 305.451 1.936 10 0 DDAEMN Cc1nnc2n1C[C@H](C(=O)[O-])[N@H+](C[C@@H](C)Cc1ccccc1)C2 ZINC000263532476 408163988 /nfs/dbraw/zinc/16/39/88/408163988.db2.gz XGVZOAMOKWHDKU-SWLSCSKDSA-N 0 1 314.389 1.734 10 0 DDAEMN Cc1nnc2n1C[C@H](C(=O)[O-])[N@@H+](C[C@@H](C)Cc1ccccc1)C2 ZINC000263532476 408163993 /nfs/dbraw/zinc/16/39/93/408163993.db2.gz XGVZOAMOKWHDKU-SWLSCSKDSA-N 0 1 314.389 1.734 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc(C)c1F ZINC000246217464 408178754 /nfs/dbraw/zinc/17/87/54/408178754.db2.gz PRFFDIJQGDMSEM-ZDUSSCGKSA-N 0 1 312.410 1.911 10 0 DDAEMN Cc1cnn([C@H]2CCCN(C(=O)c3cccc4nn[nH]c43)C2)c1 ZINC000182765055 408242877 /nfs/dbraw/zinc/24/28/77/408242877.db2.gz MVXNILJQVKUWKW-LBPRGKRZSA-N 0 1 310.361 1.940 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccnc1 ZINC000190339378 408223420 /nfs/dbraw/zinc/22/34/20/408223420.db2.gz YBZJATHMLUZWPY-UONOGXRCSA-N 0 1 302.378 1.105 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182878293 408271437 /nfs/dbraw/zinc/27/14/37/408271437.db2.gz ICKDCMLVTXKRSC-VXGBXAGGSA-N 0 1 324.402 1.273 10 0 DDAEMN CCOCCN1CCN(Cc2nc(CC)cc(=O)[nH]2)C[C@@H]1C ZINC000246534573 408287187 /nfs/dbraw/zinc/28/71/87/408287187.db2.gz JLNWUIGPVVPKBM-ZDUSSCGKSA-N 0 1 308.426 1.287 10 0 DDAEMN CCc1noc([C@@H](C)N2CCN(CCCn3ccnc3)CC2)n1 ZINC000183175689 408343634 /nfs/dbraw/zinc/34/36/34/408343634.db2.gz HDGMZUKZDJINIH-CQSZACIVSA-N 0 1 318.425 1.597 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173357086 162333876 /nfs/dbraw/zinc/33/38/76/162333876.db2.gz GQOOTMNJCLCSBQ-LOWVWBTDSA-N 0 1 309.414 1.180 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H](C)OCCC(C)C)CCO2)n[nH]1 ZINC000173576637 162349728 /nfs/dbraw/zinc/34/97/28/162349728.db2.gz PODFOUBOJSIGRB-OLZOCXBDSA-N 0 1 324.425 1.718 10 0 DDAEMN Cc1cnn(CCCCCN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173671246 162355114 /nfs/dbraw/zinc/35/51/14/162355114.db2.gz KRDMXKIOOFCKOA-OAHLLOKOSA-N 0 1 318.425 1.862 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)N(C(C)C)C(C)C)CCO2)n[nH]1 ZINC000173677653 162355227 /nfs/dbraw/zinc/35/52/27/162355227.db2.gz GAIRLJXANJNMGI-CYBMUJFWSA-N 0 1 309.414 1.132 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)c3c(F)cccc3F)CCO2)n[nH]1 ZINC000173676355 162355956 /nfs/dbraw/zinc/35/59/56/162355956.db2.gz NOQNHGFQBBABSP-QWHCGFSZSA-N 0 1 324.331 1.498 10 0 DDAEMN CCN(C(=O)CN1CC[C@H](N2CCOCC2)C1)C1CCCCC1 ZINC000173924739 162378337 /nfs/dbraw/zinc/37/83/37/162378337.db2.gz FLFAEEDVRNMRKT-KRWDZBQOSA-N 0 1 323.481 1.574 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000174096626 162391356 /nfs/dbraw/zinc/39/13/56/162391356.db2.gz NJTUCOIRZXTZMZ-KBPBESRZSA-N 0 1 322.796 1.873 10 0 DDAEMN COc1ccccc1COC[C@H](O)CN1[C@H](C)COC[C@H]1C ZINC000247348507 408455048 /nfs/dbraw/zinc/45/50/48/408455048.db2.gz ZJKGCWXTSYUBOF-IIAWOOMASA-N 0 1 309.406 1.682 10 0 DDAEMN CC(=O)NC1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000191509274 408437133 /nfs/dbraw/zinc/43/71/33/408437133.db2.gz OHPFZBZTPYWFHU-QGZVFWFLSA-N 0 1 315.417 1.388 10 0 DDAEMN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247567251 408493283 /nfs/dbraw/zinc/49/32/83/408493283.db2.gz VWVZTTKNWGAXTB-HUUCEWRRSA-N 0 1 304.438 1.856 10 0 DDAEMN COc1ccc(NC(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247381564 408461512 /nfs/dbraw/zinc/46/15/12/408461512.db2.gz VYFHQXOWURLUQI-KGLIPLIRSA-N 0 1 321.421 1.021 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)CCN1C[C@H](C)O ZINC000247389917 408463021 /nfs/dbraw/zinc/46/30/21/408463021.db2.gz WYQSQKIWRUMSBY-OWCLPIDISA-N 0 1 311.470 1.164 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C[C@@H]1C ZINC000247402791 408465553 /nfs/dbraw/zinc/46/55/53/408465553.db2.gz YRVBXYZAKRZSIJ-KKUMJFAQSA-N 0 1 323.481 1.163 10 0 DDAEMN Cc1ccc(O)c(CN[C@@H]2CCCN(c3ncc[nH]c3=O)C2)n1 ZINC000275584384 408611705 /nfs/dbraw/zinc/61/17/05/408611705.db2.gz PHTDKVYDBKLMHK-GFCCVEGCSA-N 0 1 315.377 1.350 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)n[nH]1 ZINC000161907860 408649720 /nfs/dbraw/zinc/64/97/20/408649720.db2.gz JLHRHXFXCQBJEX-BLLLJJGKSA-N 0 1 322.453 1.952 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCC[C@H](NC(=O)OCC)C1 ZINC000193372342 408716532 /nfs/dbraw/zinc/71/65/32/408716532.db2.gz DODMHHQGPIFYMH-KBPBESRZSA-N 0 1 302.415 1.375 10 0 DDAEMN Cc1csc(=O)n1CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000177736331 408697686 /nfs/dbraw/zinc/69/76/86/408697686.db2.gz CSYZXCOJUFBCFG-CQSZACIVSA-N 0 1 305.403 1.767 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)N(C)Cc3ccccc3)CCO2)n[nH]1 ZINC000185872835 162950051 /nfs/dbraw/zinc/95/00/51/162950051.db2.gz QZLKKYBUDRDLPP-CQSZACIVSA-N 0 1 315.377 1.738 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000195111334 163307838 /nfs/dbraw/zinc/30/78/38/163307838.db2.gz ROWOLSKABGDWBR-KFWWJZLASA-N 0 1 322.457 1.328 10 0 DDAEMN O=C(CNC(=O)c1cccc(F)c1)N1CCN2CCCC[C@H]2C1 ZINC000195319630 163315659 /nfs/dbraw/zinc/31/56/59/163315659.db2.gz IQJBRHVIFJDHTN-HNNXBMFYSA-N 0 1 319.380 1.252 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1cnc[nH]1 ZINC000192779402 418526193 /nfs/dbraw/zinc/52/61/93/418526193.db2.gz REVMCYWRRSHRQE-UBHSHLNASA-N 0 1 305.378 1.675 10 0 DDAEMN CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ncc(OC)cn1 ZINC000645729093 423157025 /nfs/dbraw/zinc/15/70/25/423157025.db2.gz VXPVXJFWQJSHIO-QWHCGFSZSA-N 0 1 304.394 1.574 10 0 DDAEMN O=C(CCc1ccc(F)cc1)N1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617671 422201165 /nfs/dbraw/zinc/20/11/65/422201165.db2.gz CSDQYAMIEDITGS-MRXNPFEDSA-N 0 1 318.352 1.387 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)c1cnc(CN)nc1 ZINC000638021026 422564765 /nfs/dbraw/zinc/56/47/65/422564765.db2.gz KWPNSIJLIVEYPW-GFCCVEGCSA-N 0 1 300.362 1.270 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000249862224 281598884 /nfs/dbraw/zinc/59/88/84/281598884.db2.gz GNNGKZPBAUERDW-IIAWOOMASA-N 0 1 321.469 1.680 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)CCN1C[C@H](C)O ZINC000246676469 282006141 /nfs/dbraw/zinc/00/61/41/282006141.db2.gz APMPQAIUQAKNPL-HRCADAONSA-N 0 1 314.470 1.741 10 0 DDAEMN O=C1NCC[C@@H]1N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000378190908 302288892 /nfs/dbraw/zinc/28/88/92/302288892.db2.gz QJEWUBJWABUIGR-WPRPVWTQSA-N 0 1 302.300 1.496 10 0 DDAEMN Cn1nncc1CN1CCC[C@H](CC(=O)N2CCCC2)CC1 ZINC000299746688 534360973 /nfs/dbraw/zinc/36/09/73/534360973.db2.gz ZDCOFNITRSDHCM-AWEZNQCLSA-N 0 1 305.426 1.430 10 0 DDAEMN O[C@H](CN1CCN(CCc2cccnc2)CC1)c1ccccc1 ZINC000172162208 697365200 /nfs/dbraw/zinc/36/52/00/697365200.db2.gz RGYBHJSSNPKZFO-LJQANCHMSA-N 0 1 311.429 1.975 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1nnc2ccccc2c1O ZINC000176983471 697408053 /nfs/dbraw/zinc/40/80/53/697408053.db2.gz YQOSMWNTLYARJW-GFCCVEGCSA-N 0 1 314.389 1.479 10 0 DDAEMN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000176983471 697408054 /nfs/dbraw/zinc/40/80/54/697408054.db2.gz YQOSMWNTLYARJW-GFCCVEGCSA-N 0 1 314.389 1.479 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000176983471 697408056 /nfs/dbraw/zinc/40/80/56/697408056.db2.gz YQOSMWNTLYARJW-GFCCVEGCSA-N 0 1 314.389 1.479 10 0 DDAEMN C[C@H](C(=O)N[C@@H]1CN2CCC1CC2)n1ccc(C(F)(F)F)n1 ZINC000222543707 697757864 /nfs/dbraw/zinc/75/78/64/697757864.db2.gz ZRZLIRAOVQTXAQ-MWLCHTKSSA-N 0 1 316.327 1.673 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000262716057 698478668 /nfs/dbraw/zinc/47/86/68/698478668.db2.gz NIGDYAUZOHYAHL-UHFFFAOYSA-N 0 1 300.742 1.600 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc3occc3c2)CCO1 ZINC000263470020 698508876 /nfs/dbraw/zinc/50/88/76/698508876.db2.gz DLGWPXFFPZZALX-OAHLLOKOSA-N 0 1 318.373 1.650 10 0 DDAEMN C[C@@H](O)[C@@H](C)NCc1ncc(I)s1 ZINC000336657000 698769632 /nfs/dbraw/zinc/76/96/32/698769632.db2.gz QQUATRDHYRBNCK-PHDIDXHHSA-N 0 1 312.176 1.607 10 0 DDAEMN O=C([O-])CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379623083 699059640 /nfs/dbraw/zinc/05/96/40/699059640.db2.gz XPGPQANHFDZFOH-AWEZNQCLSA-N 0 1 305.378 1.425 10 0 DDAEMN CCn1ccnc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705672856 699241278 /nfs/dbraw/zinc/24/12/78/699241278.db2.gz DUBDGPSSRJEYTB-CHWSQXEVSA-N 0 1 324.425 1.220 10 0 DDAEMN CCn1[nH]c(C)nc1=NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000888524043 709331742 /nfs/dbraw/zinc/33/17/42/709331742.db2.gz GPJSJQHYZPLTKJ-AWEZNQCLSA-N 0 1 316.409 1.453 10 0 DDAEMN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2c2nn[nH]n2)n1 ZINC000900392505 709572995 /nfs/dbraw/zinc/57/29/95/709572995.db2.gz ANSOJPGNGTUUIO-RYUDHWBXSA-N 0 1 303.370 1.328 10 0 DDAEMN [NH3+][C@H](CSc1nccc(=O)[n-]1)c1ccc2c(c1)OCCO2 ZINC000081775086 192322179 /nfs/dbraw/zinc/32/21/79/192322179.db2.gz YHQNFZKLAXKGTI-SNVBAGLBSA-N 0 1 305.359 1.746 10 0 DDAEMN CC[NH2+][C@H]1CCC2(C[C@@H]1Sc1nccc(=O)[n-]1)OCCO2 ZINC000081774307 192322600 /nfs/dbraw/zinc/32/26/00/192322600.db2.gz WZNREXPORFONMU-QWRGUYRKSA-N 0 1 311.407 1.548 10 0 DDAEMN CCc1c(NC(=O)[C@H]2C[C@H]2C(=O)OC)[nH]nc1-c1ccncc1 ZINC000076880064 185048238 /nfs/dbraw/zinc/04/82/38/185048238.db2.gz DEVOJDMLXOKJTO-NWDGAFQWSA-N 0 1 314.345 1.782 10 0 DDAEMN CCCN[C@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944521 192344979 /nfs/dbraw/zinc/34/49/79/192344979.db2.gz RRZZIIRRQOZCDI-OAHLLOKOSA-N 0 1 315.435 1.797 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249528912 282166883 /nfs/dbraw/zinc/16/68/83/282166883.db2.gz JGGDKMJBJKMGIY-KGLIPLIRSA-N 0 1 324.446 1.861 10 0 DDAEMN N[C@]1(C(=O)NCc2cc(Br)cs2)CCOC1 ZINC000082986288 185210429 /nfs/dbraw/zinc/21/04/29/185210429.db2.gz WPGMCBKBQHFYNU-SNVBAGLBSA-N 0 1 305.197 1.245 10 0 DDAEMN CCn1cnnc1[C@@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328633851 231269771 /nfs/dbraw/zinc/26/97/71/231269771.db2.gz BDWIXXQYTXPKCP-OCCSQVGLSA-N 0 1 303.410 1.241 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cnc3n[nH]nc3c2)n[nH]1 ZINC000328691299 231309613 /nfs/dbraw/zinc/30/96/13/231309613.db2.gz REKUPKGDELBVLT-LLVKDONJSA-N 0 1 312.337 1.147 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+](C2CCS(=O)(=O)CC2)Cc2ccccc21 ZINC000087616001 185229377 /nfs/dbraw/zinc/22/93/77/185229377.db2.gz HNCKZRWQKIMIRW-CQSZACIVSA-N 0 1 309.387 1.248 10 0 DDAEMN O=C([O-])[C@@H]1C[N@H+](C2CCS(=O)(=O)CC2)Cc2ccccc21 ZINC000087616001 185229378 /nfs/dbraw/zinc/22/93/78/185229378.db2.gz HNCKZRWQKIMIRW-CQSZACIVSA-N 0 1 309.387 1.248 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1cc(Br)cs1 ZINC000088003271 185237978 /nfs/dbraw/zinc/23/79/78/185237978.db2.gz PIUMDQHUOHVPIH-SECBINFHSA-N 0 1 307.213 1.443 10 0 DDAEMN COc1ccc(CSc2nc(C)cc(=O)[n-]2)cc1C(N)=[NH2+] ZINC000087828767 185232613 /nfs/dbraw/zinc/23/26/13/185232613.db2.gz UWFGDKGVTGNWOF-UHFFFAOYSA-N 0 1 304.375 1.663 10 0 DDAEMN NN=c1cc(NCc2ccccc2Br)[nH]c(N)n1 ZINC000087864112 185233977 /nfs/dbraw/zinc/23/39/77/185233977.db2.gz OOTVLZSTJZMPMQ-UHFFFAOYSA-N 0 1 309.171 1.719 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1NC ZINC000081977172 192348530 /nfs/dbraw/zinc/34/85/30/192348530.db2.gz QYOCLZQPLXIJAI-ZFWWWQNUSA-N 0 1 311.403 1.240 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1ncccc1Br ZINC000088673301 185262199 /nfs/dbraw/zinc/26/21/99/185262199.db2.gz JGFLHRAYLWAJEC-JTQLQIEISA-N 0 1 314.183 1.185 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1c(C)oc(C)c1CO ZINC000088895140 185269998 /nfs/dbraw/zinc/26/99/98/185269998.db2.gz MXGYHXJUZAMIIU-UHFFFAOYSA-N 0 1 318.439 1.351 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1csc(CO)c1 ZINC000088895154 185270227 /nfs/dbraw/zinc/27/02/27/185270227.db2.gz YSVPBXZDERUZBY-UHFFFAOYSA-N 0 1 306.453 1.203 10 0 DDAEMN O=C(c1ccc(Br)cc1[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321083 185291026 /nfs/dbraw/zinc/29/10/26/185291026.db2.gz RQMXPYXFMKGXDK-DTORHVGOSA-N 0 1 311.179 1.446 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000082004578 192353920 /nfs/dbraw/zinc/35/39/20/192353920.db2.gz UMOUKPQWLXZPQX-IINYFYTJSA-N 0 1 315.391 1.061 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(CO)oc1C ZINC000092678422 185333396 /nfs/dbraw/zinc/33/33/96/185333396.db2.gz DYJHGNZXVMYXSE-LBPRGKRZSA-N 0 1 316.423 1.185 10 0 DDAEMN CN(Cc1cccc(Cl)c1)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780415 185340125 /nfs/dbraw/zinc/34/01/25/185340125.db2.gz OYZDYIOMWGRWPE-CYBMUJFWSA-N 0 1 304.781 1.736 10 0 DDAEMN CCOC(=O)N1CCN[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616633084 362765190 /nfs/dbraw/zinc/76/51/90/362765190.db2.gz HSOILQPWWFXCIX-NSHDSACASA-N 0 1 301.387 1.332 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2cccc(N)n2)C1 ZINC000616654680 362769835 /nfs/dbraw/zinc/76/98/35/362769835.db2.gz MBNTXQKJONSQST-CYBMUJFWSA-N 0 1 321.425 1.135 10 0 DDAEMN O=C([O-])[C@]1(CNC(=O)OCc2ccccc2)C[N@H+]2C[C@@H]1CCC2 ZINC000725244305 539568678 /nfs/dbraw/zinc/56/86/78/539568678.db2.gz HKUVOMOUZHOBFL-WMLDXEAASA-N 0 1 318.373 1.709 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(NC(N)=O)c(OC)c1)N(C)C ZINC000155668653 186101126 /nfs/dbraw/zinc/10/11/26/186101126.db2.gz CGJCVGHKDKEHKB-GFCCVEGCSA-N 0 1 308.382 1.855 10 0 DDAEMN CCN1CCN(c2ncc(C(=O)NCCC(C)C)c(C)n2)CC1 ZINC000072466419 191173899 /nfs/dbraw/zinc/17/38/99/191173899.db2.gz UATRWAIZYIFOIT-UHFFFAOYSA-N 0 1 319.453 1.703 10 0 DDAEMN COc1cccc(NC(=O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000172801629 198151247 /nfs/dbraw/zinc/15/12/47/198151247.db2.gz VFIGOBVVPOPFMB-OAHLLOKOSA-N 0 1 303.406 1.804 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccccc3C)CCO2)n[nH]1 ZINC000173563944 198227603 /nfs/dbraw/zinc/22/76/03/198227603.db2.gz OVHPXXZRBFPCJD-CQSZACIVSA-N 0 1 314.389 1.818 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC000237324396 202231652 /nfs/dbraw/zinc/23/16/52/202231652.db2.gz HDLRYSCNRCILND-OAHLLOKOSA-N 0 1 320.414 1.218 10 0 DDAEMN CCNC(=O)NC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180734033 199202639 /nfs/dbraw/zinc/20/26/39/199202639.db2.gz ZLPFJXWVTRKPIN-MRVPVSSYSA-N 0 1 301.749 1.975 10 0 DDAEMN O=S(=O)(N[C@H]1CCC[C@@H](O)C1)c1c(F)cc(F)cc1F ZINC000618460837 363639072 /nfs/dbraw/zinc/63/90/72/363639072.db2.gz ABDAMDKYZRYNMI-DTWKUNHWSA-N 0 1 309.309 1.686 10 0 DDAEMN O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1c(F)cc(F)cc1F ZINC000618460838 363638857 /nfs/dbraw/zinc/63/88/57/363638857.db2.gz ABDAMDKYZRYNMI-IUCAKERBSA-N 0 1 309.309 1.686 10 0 DDAEMN C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C)C1)c1nc(C(=O)[O-])cs1 ZINC000090941919 192957934 /nfs/dbraw/zinc/95/79/34/192957934.db2.gz GLXMQQNAVSYRFC-RKDXNWHRSA-N 0 1 312.395 1.153 10 0 DDAEMN CCCNC(=O)[C@@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091487701 193063498 /nfs/dbraw/zinc/06/34/98/193063498.db2.gz WZETYPWDIWYLSN-SNVBAGLBSA-N 0 1 303.497 1.385 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C[C@H]2Cc3ccccc3S2)CC1 ZINC000092261128 193182449 /nfs/dbraw/zinc/18/24/49/193182449.db2.gz BCDUNGFLPBQDJN-GXTWGEPZSA-N 0 1 321.515 1.996 10 0 DDAEMN NC(=S)CN1CCN(C[C@H]2CSc3ccccc32)CC1 ZINC000092275968 193183978 /nfs/dbraw/zinc/18/39/78/193183978.db2.gz QGYBXQQVJSHJJX-LBPRGKRZSA-N 0 1 307.488 1.780 10 0 DDAEMN CN[C@H](C(=O)N1CCC(C(F)(F)F)CC1)c1cnn(C)c1 ZINC000262052398 203184687 /nfs/dbraw/zinc/18/46/87/203184687.db2.gz HPIYVVRJXFOZLS-NSHDSACASA-N 0 1 304.316 1.482 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H](N2CCc3c(N)cccc3C2)C1 ZINC000094638622 193387597 /nfs/dbraw/zinc/38/75/97/193387597.db2.gz XFXKDHWVCOOGKR-UONOGXRCSA-N 0 1 308.447 1.983 10 0 DDAEMN CCCNCc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644056 193389468 /nfs/dbraw/zinc/38/94/68/193389468.db2.gz NXVSMWKUYYKKPY-NWDGAFQWSA-N 0 1 300.428 1.306 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000094779348 193396101 /nfs/dbraw/zinc/39/61/01/193396101.db2.gz TYOWULOMZVCDHD-LLVKDONJSA-N 0 1 313.398 1.185 10 0 DDAEMN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN)c2C(N)=O)C1 ZINC000020335833 182209327 /nfs/dbraw/zinc/20/93/27/182209327.db2.gz TZLNHJWJESPFHL-MRVPVSSYSA-N 0 1 309.435 1.895 10 0 DDAEMN CC(C)[C@H](CNC(=O)c1sccc1N)N1CCN(C)CC1 ZINC000040769961 183131830 /nfs/dbraw/zinc/13/18/30/183131830.db2.gz FGLRUALNNNJVBI-ZDUSSCGKSA-N 0 1 310.467 1.332 10 0 DDAEMN Nc1ccc(F)cc1S(=O)(=O)NCCN1CCCCCC1 ZINC000040767366 183130916 /nfs/dbraw/zinc/13/09/16/183130916.db2.gz WYPDWGIFDAJAMH-UHFFFAOYSA-N 0 1 315.414 1.562 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000041679102 183216244 /nfs/dbraw/zinc/21/62/44/183216244.db2.gz UABSODLKEARAGN-UHFFFAOYSA-N 0 1 305.831 1.697 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cnc(Cl)s1 ZINC000041679124 183216440 /nfs/dbraw/zinc/21/64/40/183216440.db2.gz DTBROBOIDHVSDJ-UHFFFAOYSA-N 0 1 311.860 1.759 10 0 DDAEMN CNC(=O)[C@H](C)NCc1cc2c(c(Br)c1)OCO2 ZINC000042341905 183256783 /nfs/dbraw/zinc/25/67/83/183256783.db2.gz KFCIRRUJZBEAHL-ZETCQYMHSA-N 0 1 315.167 1.402 10 0 DDAEMN C[C@H](C[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000042707353 183299551 /nfs/dbraw/zinc/29/95/51/183299551.db2.gz XVKPXMVDJVGSEH-SNVBAGLBSA-N 0 1 319.810 1.766 10 0 DDAEMN C[C@H](C[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000042707353 183299555 /nfs/dbraw/zinc/29/95/55/183299555.db2.gz XVKPXMVDJVGSEH-SNVBAGLBSA-N 0 1 319.810 1.766 10 0 DDAEMN O=C(Nc1c(F)cc(F)cc1Br)[C@H]1CNCCO1 ZINC000043707930 183382456 /nfs/dbraw/zinc/38/24/56/183382456.db2.gz AUIXUGTUVLJBAG-SECBINFHSA-N 0 1 321.121 1.654 10 0 DDAEMN Cc1cc(N)c(S(=O)(=O)NC[C@H]2CCCCN2C)cc1C ZINC000044563350 183422650 /nfs/dbraw/zinc/42/26/50/183422650.db2.gz IUBPRKGFFBAMGL-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN COc1cccc(F)c1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000284664351 218123053 /nfs/dbraw/zinc/12/30/53/218123053.db2.gz GJDRRNWUAGRXJW-RYUDHWBXSA-N 0 1 310.369 1.625 10 0 DDAEMN Cc1cc(C)n(CCCNC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000105076661 194070355 /nfs/dbraw/zinc/07/03/55/194070355.db2.gz PXURMPTYGYSHOH-MRXNPFEDSA-N 0 1 319.453 1.770 10 0 DDAEMN O[C@H](CN1CCCN(c2cccnn2)CC1)c1ccccc1F ZINC000105799750 194132197 /nfs/dbraw/zinc/13/21/97/194132197.db2.gz VYFJIWNCCJTUGT-MRXNPFEDSA-N 0 1 316.380 1.861 10 0 DDAEMN FC(F)(F)COCCN1CCC(Nc2cccnn2)CC1 ZINC000105805816 194134061 /nfs/dbraw/zinc/13/40/61/194134061.db2.gz YICUUUXBOHGGSV-UHFFFAOYSA-N 0 1 304.316 1.932 10 0 DDAEMN CCOCCN1CCN(Cc2cn3cccnc3n2)C[C@@H]1C ZINC000105835158 194142960 /nfs/dbraw/zinc/14/29/60/194142960.db2.gz DIPDEHSRRDXPGS-AWEZNQCLSA-N 0 1 303.410 1.272 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000109464626 194265418 /nfs/dbraw/zinc/26/54/18/194265418.db2.gz GHXXVLMKURLOHQ-QWHCGFSZSA-N 0 1 313.467 1.155 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000109464623 194265836 /nfs/dbraw/zinc/26/58/36/194265836.db2.gz GHXXVLMKURLOHQ-OLZOCXBDSA-N 0 1 313.467 1.155 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000109460261 194266103 /nfs/dbraw/zinc/26/61/03/194266103.db2.gz BHTTWYQMCDZESJ-CYBMUJFWSA-N 0 1 306.435 1.213 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2ccsc2)CC1 ZINC000109463855 194266165 /nfs/dbraw/zinc/26/61/65/194266165.db2.gz LALOVQOUOUHNCR-GFCCVEGCSA-N 0 1 311.476 1.961 10 0 DDAEMN CN(c1cc(CO)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000109594345 194275868 /nfs/dbraw/zinc/27/58/68/194275868.db2.gz XKVIZCCOLUJYFE-LBPRGKRZSA-N 0 1 306.387 1.350 10 0 DDAEMN CC[C@@H]1CN(Cc2nc3c(cnn3C)c(Cl)n2)CCN1C ZINC000110717632 194353941 /nfs/dbraw/zinc/35/39/41/194353941.db2.gz FNGGDQMSIKGMTK-SNVBAGLBSA-N 0 1 308.817 1.543 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2N)CCN1C ZINC000110703312 194351642 /nfs/dbraw/zinc/35/16/42/194351642.db2.gz YZFRGNSZMVLJFI-LBPRGKRZSA-N 0 1 310.829 1.887 10 0 DDAEMN CC[N@H+](CC(=O)NC(=O)NCCC(C)C)C(C)(C)C(=O)[O-] ZINC000061176650 184164309 /nfs/dbraw/zinc/16/43/09/184164309.db2.gz KQLLOKHHIIROOX-UHFFFAOYSA-N 0 1 301.387 1.043 10 0 DDAEMN CC[N@@H+](CC(=O)NC(=O)NCCC(C)C)C(C)(C)C(=O)[O-] ZINC000061176650 184164310 /nfs/dbraw/zinc/16/43/10/184164310.db2.gz KQLLOKHHIIROOX-UHFFFAOYSA-N 0 1 301.387 1.043 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000061644689 184180500 /nfs/dbraw/zinc/18/05/00/184180500.db2.gz RMJYXGQONSMZKF-JTQLQIEISA-N 0 1 303.815 1.450 10 0 DDAEMN CCNc1cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)ccn1 ZINC000061655966 184180994 /nfs/dbraw/zinc/18/09/94/184180994.db2.gz VDOJCSVFYPJWEK-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CCNc1ncccc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000061655959 184181423 /nfs/dbraw/zinc/18/14/23/184181423.db2.gz UTWKLRIVBYIMMS-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN [NH3+]Cc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000061841344 184189528 /nfs/dbraw/zinc/18/95/28/184189528.db2.gz YJJGCILSVKEWIQ-UHFFFAOYSA-N 0 1 312.341 1.902 10 0 DDAEMN CC(C)(C)[C@H]1CC[C@H](O)[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062085854 184205619 /nfs/dbraw/zinc/20/56/19/184205619.db2.gz GDYPPFASIYCZHA-MJBXVCDLSA-N 0 1 318.483 1.139 10 0 DDAEMN CSCC[C@H](NC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C(=O)[O-] ZINC000062943316 184261754 /nfs/dbraw/zinc/26/17/54/184261754.db2.gz APSLAAJBUYSKBE-RYUDHWBXSA-N 0 1 315.439 1.072 10 0 DDAEMN C[C@H](NCc1ccc(O)c(Br)c1)C(=O)N(C)C ZINC000062702010 184247981 /nfs/dbraw/zinc/24/79/81/184247981.db2.gz SWNJACJVYULYNY-QMMMGPOBSA-N 0 1 301.184 1.721 10 0 DDAEMN CNC(=O)[C@@H]1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2O1 ZINC000247940506 257113679 /nfs/dbraw/zinc/11/36/79/257113679.db2.gz IKZYUDUNQJGVDQ-IKGGRYGDSA-N 0 1 318.417 1.429 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000262335158 285385328 /nfs/dbraw/zinc/38/53/28/285385328.db2.gz SBCDRYGFFUXSGP-TVYUQYBPSA-N 0 1 300.786 1.506 10 0 DDAEMN COC(=O)C1(N)CCC(NC(=O)OCc2ccccc2)CC1 ZINC000012506095 406846450 /nfs/dbraw/zinc/84/64/50/406846450.db2.gz JNHYRXBFZFGOGG-UHFFFAOYSA-N 0 1 306.362 1.726 10 0 DDAEMN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1c(F)cc(F)cc1F ZINC000085987983 407107822 /nfs/dbraw/zinc/10/78/22/407107822.db2.gz KGICRYBPXHXKMW-PRHODGIISA-N 0 1 323.336 1.933 10 0 DDAEMN CC(C)N1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000046043521 407052962 /nfs/dbraw/zinc/05/29/62/407052962.db2.gz OMIBUJNJTOJNAT-CQSZACIVSA-N 0 1 318.421 1.749 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000123137874 407320210 /nfs/dbraw/zinc/32/02/10/407320210.db2.gz SLAGTRAYXGAIKG-QRVBRYPASA-N 0 1 324.424 1.934 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105883393 407356393 /nfs/dbraw/zinc/35/63/93/407356393.db2.gz BRESXEHEORFJRB-OAHLLOKOSA-N 0 1 307.442 1.639 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869688 407356442 /nfs/dbraw/zinc/35/64/42/407356442.db2.gz HXHDLQPYIHPJEE-OAHLLOKOSA-N 0 1 321.469 1.185 10 0 DDAEMN NC(=O)[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H]1COc1ccccc1 ZINC000257197323 407490341 /nfs/dbraw/zinc/49/03/41/407490341.db2.gz ZVTGIZMEHABBAF-GOEBONIOSA-N 0 1 300.358 1.892 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000186158401 407590029 /nfs/dbraw/zinc/59/00/29/407590029.db2.gz KHWKIAVQIHKPQO-OLZOCXBDSA-N 0 1 318.339 1.541 10 0 DDAEMN CCCCn1nccc1NC(=O)C(=O)N[C@H]1CCCN(CC)C1 ZINC000151867504 407516791 /nfs/dbraw/zinc/51/67/91/407516791.db2.gz BWASDCSMUOQLNF-ZDUSSCGKSA-N 0 1 321.425 1.222 10 0 DDAEMN C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261934847 407679189 /nfs/dbraw/zinc/67/91/89/407679189.db2.gz WQNPYGRLLXUEMW-ZBFHGGJFSA-N 0 1 317.433 1.274 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313586 407741428 /nfs/dbraw/zinc/74/14/28/407741428.db2.gz WTCBMJGMKDJMOH-MRXNPFEDSA-N 0 1 312.417 1.868 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000262244256 407772822 /nfs/dbraw/zinc/77/28/22/407772822.db2.gz IBCMFOBYDHNDJS-GFCCVEGCSA-N 0 1 311.451 1.823 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000262337836 407802906 /nfs/dbraw/zinc/80/29/06/407802906.db2.gz SHGNYXTUZWFJDN-ZDUSSCGKSA-N 0 1 302.378 1.710 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000262369636 407814514 /nfs/dbraw/zinc/81/45/14/407814514.db2.gz WNRQJHUKJZQJBP-ZWNOBZJWSA-N 0 1 306.362 1.901 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCSC)CCN1CCOC ZINC000153491805 407836044 /nfs/dbraw/zinc/83/60/44/407836044.db2.gz IJZXORWHJZSOED-CYBMUJFWSA-N 0 1 303.472 1.492 10 0 DDAEMN COc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1 ZINC000180104159 407857120 /nfs/dbraw/zinc/85/71/20/407857120.db2.gz OEKAUPYGJWQTJU-OAHLLOKOSA-N 0 1 318.377 1.704 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262556030 407865743 /nfs/dbraw/zinc/86/57/43/407865743.db2.gz WLKCVAZMSOHMHP-IHRRRGAJSA-N 0 1 313.442 1.161 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cnc(CC)s3)CCO2)n[nH]1 ZINC000173564830 407888680 /nfs/dbraw/zinc/88/86/80/407888680.db2.gz UVPGDKYDTYOUPK-VIFPVBQESA-N 0 1 321.406 1.600 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000118859271 407959120 /nfs/dbraw/zinc/95/91/20/407959120.db2.gz RQVIZUQKHVKHCV-KRWDZBQOSA-N 0 1 319.449 1.277 10 0 DDAEMN C[C@H]1NCCN(S(=O)(=O)c2cc(F)c(F)cc2F)[C@@H]1C ZINC000262783143 407928183 /nfs/dbraw/zinc/92/81/83/407928183.db2.gz PMJMVUHGGUHBTC-HTQZYQBOSA-N 0 1 308.325 1.475 10 0 DDAEMN CCOCCN1CCN([C@H]2CCN(C(C)C)C2=O)C[C@@H]1CC ZINC000245461794 407990616 /nfs/dbraw/zinc/99/06/16/407990616.db2.gz GCKCRWLQJSMZJE-HOTGVXAUSA-N 0 1 311.470 1.428 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000245768153 408063390 /nfs/dbraw/zinc/06/33/90/408063390.db2.gz RDBCACHFRGVOLN-QWRGUYRKSA-N 0 1 302.340 1.991 10 0 DDAEMN CC[C@H]1CN(c2cc(NCC3CC3)ncn2)CCN1CCOC ZINC000119535406 408089596 /nfs/dbraw/zinc/08/95/96/408089596.db2.gz TVSLMQLSKMGPIF-HNNXBMFYSA-N 0 1 319.453 1.846 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2nn(C)c(C)c2Cl)C1 ZINC000263340951 408112002 /nfs/dbraw/zinc/11/20/02/408112002.db2.gz NLMNAMABWDWRHC-UHFFFAOYSA-N 0 1 314.817 1.409 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3cccc(C)c3)CCO2)n[nH]1 ZINC000175356946 408113208 /nfs/dbraw/zinc/11/32/08/408113208.db2.gz AYWSCPJYCXWQOU-CQSZACIVSA-N 0 1 315.377 1.705 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccncc3C)CCO2)n[nH]1 ZINC000121368441 408193286 /nfs/dbraw/zinc/19/32/86/408193286.db2.gz HXTQAIDVWPXTHC-LBPRGKRZSA-N 0 1 316.365 1.676 10 0 DDAEMN CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCC(=O)[O-])n1 ZINC000263498404 408157467 /nfs/dbraw/zinc/15/74/67/408157467.db2.gz KGMLRKLHBNRQQJ-BXUZGUMPSA-N 0 1 308.382 1.979 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@H]2CCCCO2)C[C@@H]1CC ZINC000246199137 408172673 /nfs/dbraw/zinc/17/26/73/408172673.db2.gz QKUFQBYQMMAJEI-JKSUJKDBSA-N 0 1 312.454 1.905 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCO[C@H](C)CC(C)C)CCO2)n[nH]1 ZINC000121299422 408179503 /nfs/dbraw/zinc/17/95/03/408179503.db2.gz DQNFIJNUHMUONA-TZMCWYRMSA-N 0 1 324.425 1.854 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000155707037 408200571 /nfs/dbraw/zinc/20/05/71/408200571.db2.gz KBAUCRNVSHTTQM-OLZOCXBDSA-N 0 1 316.467 1.046 10 0 DDAEMN O=C(CN1CCCC[C@@H]1c1nnc[nH]1)NC(=O)NC1CCCC1 ZINC000182713570 408228184 /nfs/dbraw/zinc/22/81/84/408228184.db2.gz PRGPUJGMOSYMCV-GFCCVEGCSA-N 0 1 320.397 1.100 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)CCCc2cccs2)C[C@H]1C ZINC000246685375 408318004 /nfs/dbraw/zinc/31/80/04/408318004.db2.gz JBEQHZJBBOQYPC-KGLIPLIRSA-N 0 1 310.463 1.984 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCc2cccs2)C[C@H]1C ZINC000246685375 408318007 /nfs/dbraw/zinc/31/80/07/408318007.db2.gz JBEQHZJBBOQYPC-KGLIPLIRSA-N 0 1 310.463 1.984 10 0 DDAEMN CCCn1c(C)nnc1CN1CCN(CCOC)[C@H](CC)C1 ZINC000157001667 408282313 /nfs/dbraw/zinc/28/23/13/408282313.db2.gz PVVMLHIZCBZVEV-OAHLLOKOSA-N 0 1 309.458 1.539 10 0 DDAEMN COCCC1(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCC1 ZINC000133115598 162050751 /nfs/dbraw/zinc/05/07/51/162050751.db2.gz CNDXPXQPDHIBJG-LBPRGKRZSA-N 0 1 308.382 1.220 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(F)ccc3C)CCO2)n[nH]1 ZINC000173516456 162345729 /nfs/dbraw/zinc/34/57/29/162345729.db2.gz MSRWTPVWOXNODN-CYBMUJFWSA-N 0 1 304.325 1.774 10 0 DDAEMN CCc1ccc(CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173548576 162347681 /nfs/dbraw/zinc/34/76/81/162347681.db2.gz PAOGHXZHAWKDRD-HNNXBMFYSA-N 0 1 314.389 1.818 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n[nH]1 ZINC000173534936 162347770 /nfs/dbraw/zinc/34/77/70/162347770.db2.gz MJECACFTDSPCEG-LLVKDONJSA-N 0 1 318.381 1.347 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3cccc(C)c3)CCO2)n[nH]1 ZINC000173565662 162349056 /nfs/dbraw/zinc/34/90/56/162349056.db2.gz MPNMRWMSJGAEON-AWEZNQCLSA-N 0 1 314.389 1.818 10 0 DDAEMN CCCCCCNC(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173656894 162352701 /nfs/dbraw/zinc/35/27/01/162352701.db2.gz JHNXSPCCBUFBJA-CYBMUJFWSA-N 0 1 309.414 1.183 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)Nc3cccc(C)c3)CCO2)n[nH]1 ZINC000173678542 162355621 /nfs/dbraw/zinc/35/56/21/162355621.db2.gz JXKUTWDXUXGIEK-CQSZACIVSA-N 0 1 315.377 1.434 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000247134283 408416677 /nfs/dbraw/zinc/41/66/77/408416677.db2.gz KNZYLAFHURKLAL-FPCVCCKLSA-N 0 1 311.470 1.163 10 0 DDAEMN Nc1cc(CN2CCN(C[C@H](O)c3ccccc3)CC2)ccn1 ZINC000191482650 408432724 /nfs/dbraw/zinc/43/27/24/408432724.db2.gz INHGFHPLNVVTHT-KRWDZBQOSA-N 0 1 312.417 1.515 10 0 DDAEMN COc1ccccc1NC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000176935272 408479326 /nfs/dbraw/zinc/47/93/26/408479326.db2.gz MAIDYCPNXLICJL-CYBMUJFWSA-N 0 1 317.349 1.727 10 0 DDAEMN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247567259 408493925 /nfs/dbraw/zinc/49/39/25/408493925.db2.gz VWVZTTKNWGAXTB-LSDHHAIUSA-N 0 1 304.438 1.856 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2cccnc2OC)CCN1C[C@H](C)O ZINC000247704503 408505202 /nfs/dbraw/zinc/50/52/02/408505202.db2.gz YOYXUJIXVHTADH-STQMWFEESA-N 0 1 322.409 1.399 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCN1C[C@H](C)O ZINC000248494543 408579316 /nfs/dbraw/zinc/57/93/16/408579316.db2.gz PUQGYIBGUUHEPA-JSGCOSHPSA-N 0 1 316.405 1.480 10 0 DDAEMN CC(C)COCCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248603523 408594749 /nfs/dbraw/zinc/59/47/49/408594749.db2.gz JLEHVKCTJOBLCK-GJZGRUSLSA-N 0 1 315.458 1.146 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cccnc3)CC2)O1 ZINC000177815666 408721950 /nfs/dbraw/zinc/72/19/50/408721950.db2.gz OTHNRYQBJCEZRW-XJKSGUPXSA-N 0 1 303.406 1.730 10 0 DDAEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000177992365 408752013 /nfs/dbraw/zinc/75/20/13/408752013.db2.gz QUUNEIMNUXTHIT-CXAGYDPISA-N 0 1 323.437 1.382 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000249801243 408767410 /nfs/dbraw/zinc/76/74/10/408767410.db2.gz AHMNZVHFOKIFJZ-GJZGRUSLSA-N 0 1 304.438 1.976 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000192045043 163214769 /nfs/dbraw/zinc/21/47/69/163214769.db2.gz MINYVSSBVPBIIF-KBPBESRZSA-N 0 1 300.443 1.495 10 0 DDAEMN CCOC(=O)N1CCCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000194957925 163301692 /nfs/dbraw/zinc/30/16/92/163301692.db2.gz WTHKCNSYSNZULA-ZDUSSCGKSA-N 0 1 302.415 1.327 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195045529 163303935 /nfs/dbraw/zinc/30/39/35/163303935.db2.gz QIFRLKVIVQQMCA-ZIAGYGMSSA-N 0 1 311.426 1.454 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195045529 163303936 /nfs/dbraw/zinc/30/39/36/163303936.db2.gz QIFRLKVIVQQMCA-ZIAGYGMSSA-N 0 1 311.426 1.454 10 0 DDAEMN CCOC(=O)N1CCC[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195096643 163305493 /nfs/dbraw/zinc/30/54/93/163305493.db2.gz HGVRJEMWHPSYOU-LSDHHAIUSA-N 0 1 323.437 1.552 10 0 DDAEMN CC(C)c1nnc2n1C[C@H](N[C@@H](C(N)=O)c1ccccc1)CC2 ZINC000195402475 163320159 /nfs/dbraw/zinc/32/01/59/163320159.db2.gz YRVAEFITZMWOOM-UKRRQHHQSA-N 0 1 313.405 1.533 10 0 DDAEMN Cc1cnc([C@@H](C)NC[C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000230642142 163348561 /nfs/dbraw/zinc/34/85/61/163348561.db2.gz IQAMYUMTGMXAJW-NEPJUHHUSA-N 0 1 301.412 1.305 10 0 DDAEMN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1c(Br)cnn1C ZINC000294766190 409302199 /nfs/dbraw/zinc/30/21/99/409302199.db2.gz BLVIYUPYZNJVNE-VIFPVBQESA-N 0 1 315.215 1.206 10 0 DDAEMN CO[C@H]1C[C@@H](CN(C)S(=O)(=O)Cc2ccccc2)N(C)C1 ZINC000343205943 410236883 /nfs/dbraw/zinc/23/68/83/410236883.db2.gz SJLFFZVLOUSNEX-GJZGRUSLSA-N 0 1 312.435 1.167 10 0 DDAEMN COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@H](OC)CN1C ZINC000343313077 410342531 /nfs/dbraw/zinc/34/25/31/410342531.db2.gz HOELCKFEKLTNCE-GJZGRUSLSA-N 0 1 306.406 1.381 10 0 DDAEMN COc1ncc(Cl)c(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)n1 ZINC000343337404 410371610 /nfs/dbraw/zinc/37/16/10/410371610.db2.gz IZRKJKDRTQGHGK-SCZZXKLOSA-N 0 1 324.772 1.532 10 0 DDAEMN NC(=O)[C@@H](O)C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000299745878 410605396 /nfs/dbraw/zinc/60/53/96/410605396.db2.gz TUJBXYSISIDRJI-CABCVRRESA-N 0 1 308.809 1.886 10 0 DDAEMN COc1cccc(-c2noc(N3C[C@H]4OCCN(C)[C@@H]4C3)n2)c1 ZINC000301663939 410766356 /nfs/dbraw/zinc/76/63/56/410766356.db2.gz NPGNJYAHVUPDLA-ZIAGYGMSSA-N 0 1 316.361 1.264 10 0 DDAEMN C[C@](C[NH3+])([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CC1 ZINC000133767694 196335928 /nfs/dbraw/zinc/33/59/28/196335928.db2.gz BJNOSTHSGRNMJU-GFCCVEGCSA-N 0 1 308.325 1.510 10 0 DDAEMN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000195368679 418555983 /nfs/dbraw/zinc/55/59/83/418555983.db2.gz CQJSCYKZHRWFPS-UKRRQHHQSA-N 0 1 313.401 1.809 10 0 DDAEMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC000386815538 418740744 /nfs/dbraw/zinc/74/07/44/418740744.db2.gz SMDYDUNCMSDUPH-GJZGRUSLSA-N 0 1 316.401 1.878 10 0 DDAEMN O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1ccn2cncc2c1 ZINC000299741532 229376436 /nfs/dbraw/zinc/37/64/36/229376436.db2.gz FPSTZFGNJYLUPE-JKSUJKDBSA-N 0 1 308.341 1.989 10 0 DDAEMN Cc1nc([C@H]2CN(c3nc(CC(C)C)ns3)CCO2)n[nH]1 ZINC000302295914 230211202 /nfs/dbraw/zinc/21/12/02/230211202.db2.gz OSLZTAJVDBZABX-SNVBAGLBSA-N 0 1 308.411 1.741 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2scnc2C)CC1 ZINC000492677101 420626356 /nfs/dbraw/zinc/62/63/56/420626356.db2.gz JLPPAXXTATYGCQ-ZFDPJTLLSA-N 0 1 309.435 1.380 10 0 DDAEMN O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ncc(Cl)cc1F ZINC000527565210 421414317 /nfs/dbraw/zinc/41/43/17/421414317.db2.gz GJBVWJMATHOOAR-VAOFZXAKSA-N 0 1 311.748 1.959 10 0 DDAEMN COC(=O)N1CCC([C@H](C)NCc2nnc(C3CC3)n2C)CC1 ZINC000186372747 263399024 /nfs/dbraw/zinc/39/90/24/263399024.db2.gz NCQGQXQCPYBMDH-NSHDSACASA-N 0 1 321.425 1.649 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2cc3ccccc3[nH]2)N(C)C1 ZINC000345758481 272326707 /nfs/dbraw/zinc/32/67/07/272326707.db2.gz SZEOGXCRSMKVKB-HOCLYGCPSA-N 0 1 301.390 1.546 10 0 DDAEMN COc1ccc(I)c(NC(=O)CN)c1 ZINC000306282867 274112991 /nfs/dbraw/zinc/11/29/91/274112991.db2.gz ADNFOFUBPFKENZ-UHFFFAOYSA-N 0 1 306.103 1.197 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(CCCOC)CC1 ZINC000105870404 696625154 /nfs/dbraw/zinc/62/51/54/696625154.db2.gz DHPCUBZUWXBKDN-UHFFFAOYSA-N 0 1 314.861 1.790 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1nnc2ccccc2c1O ZINC000176283353 697403697 /nfs/dbraw/zinc/40/36/97/697403697.db2.gz IOYCFKBBXSIYCY-GFCCVEGCSA-N 0 1 324.344 1.088 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000262352867 698465966 /nfs/dbraw/zinc/46/59/66/698465966.db2.gz JIAQBSXAZRLUEI-VNHYZAJKSA-N 0 1 321.421 1.208 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000262402089 698467803 /nfs/dbraw/zinc/46/78/03/698467803.db2.gz ZWDPRDDIKCRUNZ-OCCSQVGLSA-N 0 1 324.421 1.881 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262488481 698471660 /nfs/dbraw/zinc/47/16/60/698471660.db2.gz VUHYNQODKLUFAF-LBPRGKRZSA-N 0 1 313.442 1.161 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccn(C(C)C)n2)C1 ZINC000262987393 698486803 /nfs/dbraw/zinc/48/68/03/698486803.db2.gz DAORVGVXWILYLN-UHFFFAOYSA-N 0 1 323.397 1.523 10 0 DDAEMN Cc1cc(C)c(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1C ZINC000263459251 698508121 /nfs/dbraw/zinc/50/81/21/698508121.db2.gz BIXFJKUNSBITEA-KRWDZBQOSA-N 0 1 320.433 1.829 10 0 DDAEMN CC[C@H]1CCCCN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263484563 698509361 /nfs/dbraw/zinc/50/93/61/698509361.db2.gz PABXIPMOTFZPCE-MOKVOYLWSA-N 0 1 311.426 1.898 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccccc2OC)C1 ZINC000263505215 698510471 /nfs/dbraw/zinc/51/04/71/698510471.db2.gz VLGLWJCBWQSHQK-UHFFFAOYSA-N 0 1 321.377 1.754 10 0 DDAEMN CC(C)n1cc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cn1 ZINC000263524981 698511440 /nfs/dbraw/zinc/51/14/40/698511440.db2.gz SVWINKNNWLZQSA-UHFFFAOYSA-N 0 1 320.437 1.881 10 0 DDAEMN O=C(CC(F)(F)C(F)(F)F)N1CC[C@H]2OCCN[C@H]2C1 ZINC000713191928 699265236 /nfs/dbraw/zinc/26/52/36/699265236.db2.gz CFPUWYKCMKSDLY-JGVFFNPUSA-N 0 1 302.243 1.163 10 0 DDAEMN COc1c(CNC[C@@H]2CCN2C(=O)OC(C)(C)C)c(C)nn1C ZINC000724922460 699328436 /nfs/dbraw/zinc/32/84/36/699328436.db2.gz BOMDJXPOEIQBJT-LBPRGKRZSA-N 0 1 324.425 1.836 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(Cc3cc[nH]n3)C2)ccn1 ZINC000886072158 708692458 /nfs/dbraw/zinc/69/24/58/708692458.db2.gz YNQOHEDCLJPTBU-INIZCTEOSA-N 0 1 301.394 1.520 10 0 DDAEMN Cn1cc(CN2CCCN(c3nccn4ccnc34)CC2)cn1 ZINC000892372902 710425566 /nfs/dbraw/zinc/42/55/66/710425566.db2.gz YZSCSEZWLIJCTO-UHFFFAOYSA-N 0 1 311.393 1.175 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186047044 282100220 /nfs/dbraw/zinc/10/02/20/282100220.db2.gz KKNMXGAHFJNQGN-ZDUSSCGKSA-N 0 1 323.360 1.637 10 0 DDAEMN COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000249308028 282143502 /nfs/dbraw/zinc/14/35/02/282143502.db2.gz DDDQOIDPTFVJOM-ZMSDIMECSA-N 0 1 320.433 1.990 10 0 DDAEMN COCCO[C@@H]1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000249308028 282143506 /nfs/dbraw/zinc/14/35/06/282143506.db2.gz DDDQOIDPTFVJOM-ZMSDIMECSA-N 0 1 320.433 1.990 10 0 DDAEMN Nc1ccc(C(=O)NCCc2cnc[nH]2)cc1Br ZINC000087544789 185227938 /nfs/dbraw/zinc/22/79/38/185227938.db2.gz ZFIBPGIZFUFJSM-UHFFFAOYSA-N 0 1 309.167 1.727 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC(=O)OC)c1cc(C)ccc1C ZINC000081976856 192347872 /nfs/dbraw/zinc/34/78/72/192347872.db2.gz SZUVEGPFIVRFRC-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN CCCc1ccc([C@H](CS(=O)(=O)CC(=O)OC)NC)cc1 ZINC000081975823 192347892 /nfs/dbraw/zinc/34/78/92/192347892.db2.gz WRJXEPXHGJJWCE-AWEZNQCLSA-N 0 1 313.419 1.487 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N2CCC(C)CC2)c1S(N)(=O)=O ZINC000087891037 185234622 /nfs/dbraw/zinc/23/46/22/185234622.db2.gz HRDDFQYQPAKLDI-UHFFFAOYSA-N 0 1 314.411 1.053 10 0 DDAEMN CC[C@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895116 185235438 /nfs/dbraw/zinc/23/54/38/185235438.db2.gz LBKIQVDRASNKBQ-QMMMGPOBSA-N 0 1 302.400 1.051 10 0 DDAEMN C[NH+]1CCN([C@H](C(=O)[O-])c2cc(Br)cs2)CC1 ZINC000088045455 185238109 /nfs/dbraw/zinc/23/81/09/185238109.db2.gz YSQCEAXSKQJXJW-JTQLQIEISA-N 0 1 319.224 1.884 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1C[C@@H]1CCC(=O)N1 ZINC000087837691 185233194 /nfs/dbraw/zinc/23/31/94/185233194.db2.gz GCRPMEJWNKYBRI-QMMMGPOBSA-N 0 1 309.167 1.660 10 0 DDAEMN CC1(C)CNCCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000088139425 185240594 /nfs/dbraw/zinc/24/05/94/185240594.db2.gz BVFKZGIQIUBQIV-UHFFFAOYSA-N 0 1 308.325 1.476 10 0 DDAEMN Nc1c2nccnc2sc1C(=O)NCCN1CCCCC1 ZINC000088642003 185260908 /nfs/dbraw/zinc/26/09/08/185260908.db2.gz MAVJGUWAQSMWCD-UHFFFAOYSA-N 0 1 305.407 1.489 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)CC1CCCCC1 ZINC000088887456 185269446 /nfs/dbraw/zinc/26/94/46/185269446.db2.gz LJPZDRUKPUFFLW-UHFFFAOYSA-N 0 1 301.412 1.411 10 0 DDAEMN COCCC[S@](=O)C[C@H](N)c1ccc(OC)cc1OC ZINC000081998139 192352504 /nfs/dbraw/zinc/35/25/04/192352504.db2.gz ANIRVTKGNUEVSV-RNODOKPDSA-N 0 1 301.408 1.489 10 0 DDAEMN CCN[C@](CO[C@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674590 185308991 /nfs/dbraw/zinc/30/89/91/185308991.db2.gz JWVCTSXXVYSGSM-MFKMUULPSA-N 0 1 304.312 1.944 10 0 DDAEMN CC[N@@H+](C)CCn1c(SCC(=O)[O-])nc2cc(C)cnc21 ZINC000092557154 185325668 /nfs/dbraw/zinc/32/56/68/185325668.db2.gz IJOQIDUTJKSLMF-UHFFFAOYSA-N 0 1 308.407 1.868 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(N)cc(F)c1F ZINC000092621929 185330065 /nfs/dbraw/zinc/33/00/65/185330065.db2.gz KPMBHPCRUPQOON-JTQLQIEISA-N 0 1 319.377 1.262 10 0 DDAEMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000092939781 185350160 /nfs/dbraw/zinc/35/01/60/185350160.db2.gz ZEGMCCVOLZHFJD-PWSUYJOCSA-N 0 1 310.781 1.751 10 0 DDAEMN CSc1ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc1 ZINC000021520440 190647142 /nfs/dbraw/zinc/64/71/42/190647142.db2.gz XYAJFMNUZXEVAE-NSHDSACASA-N 0 1 302.421 1.109 10 0 DDAEMN CCOC(=O)N1CCN[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616632100 362765207 /nfs/dbraw/zinc/76/52/07/362765207.db2.gz HSOILQPWWFXCIX-LLVKDONJSA-N 0 1 301.387 1.332 10 0 DDAEMN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NC(=O)C1(C)CC1 ZINC000725273095 539570767 /nfs/dbraw/zinc/57/07/67/539570767.db2.gz ZACPSSVIUYXGMR-PWSUYJOCSA-N 0 1 308.451 1.852 10 0 DDAEMN O=C(NCCc1nc[nH]n1)c1csc(-c2ccsc2)n1 ZINC000080585404 192170828 /nfs/dbraw/zinc/17/08/28/192170828.db2.gz BTXXGGONRQEXPM-UHFFFAOYSA-N 0 1 305.388 1.962 10 0 DDAEMN COc1ccc([C@@H](N)C[S@@](=O)C2CCOCC2)c(OC)c1 ZINC000084053253 192397594 /nfs/dbraw/zinc/39/75/94/192397594.db2.gz FKNMHTYCIQQKJC-QKKBWIMNSA-N 0 1 313.419 1.631 10 0 DDAEMN Fc1ccc2nc(CN3CCN(c4ncccn4)CC3)[nH]c2c1 ZINC000071675418 191004881 /nfs/dbraw/zinc/00/48/81/191004881.db2.gz GNOIFUAUDTUZTA-UHFFFAOYSA-N 0 1 312.352 1.814 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000171929432 198010127 /nfs/dbraw/zinc/01/01/27/198010127.db2.gz KFCYCYHLVUJCLV-INMHGKMJSA-N 0 1 320.433 1.678 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CCc2cccnc2)CC1 ZINC000172162644 198049977 /nfs/dbraw/zinc/04/99/77/198049977.db2.gz SQLPFSAPWKYZCU-UHFFFAOYSA-N 0 1 313.449 1.792 10 0 DDAEMN Nc1ccc(C(=O)NCCCc2nc[nH]n2)cc1Br ZINC000080625183 192173976 /nfs/dbraw/zinc/17/39/76/192173976.db2.gz DVIQSWNIODBAAT-UHFFFAOYSA-N 0 1 324.182 1.512 10 0 DDAEMN CCCNC(=O)c1ccc(N2CCN(C[C@@H](O)CC)CC2)nc1 ZINC000172761413 198146063 /nfs/dbraw/zinc/14/60/63/198146063.db2.gz KRETYDUCKOUHTN-HNNXBMFYSA-N 0 1 320.437 1.114 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ccnn2C(C)C)CCN1C[C@@H](C)O ZINC000173272695 198204607 /nfs/dbraw/zinc/20/46/07/198204607.db2.gz RFXXJDAGRQQPRC-ZIAGYGMSSA-N 0 1 323.441 1.773 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n[nH]1 ZINC000173577999 198229578 /nfs/dbraw/zinc/22/95/78/198229578.db2.gz JCPOYISRFMDYCP-SNVBAGLBSA-N 0 1 321.406 1.654 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccccc3C)CCO2)n[nH]1 ZINC000173582718 198229906 /nfs/dbraw/zinc/22/99/06/198229906.db2.gz SRSXWXZVTVDXNB-CYBMUJFWSA-N 0 1 300.362 1.889 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000174079003 198288291 /nfs/dbraw/zinc/28/82/91/198288291.db2.gz LGNGAMIRDWEIJD-INIZCTEOSA-N 0 1 302.422 1.531 10 0 DDAEMN COC(=O)c1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(F)c1 ZINC000135419338 354115386 /nfs/dbraw/zinc/11/53/86/354115386.db2.gz XKGXDOKSWVPVDP-CHWSQXEVSA-N 0 1 324.396 1.499 10 0 DDAEMN COC(=O)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000220575970 354314112 /nfs/dbraw/zinc/31/41/12/354314112.db2.gz ABFUBTSGSPUTDW-GFCCVEGCSA-N 0 1 305.378 1.235 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000257354172 354389666 /nfs/dbraw/zinc/38/96/66/354389666.db2.gz WDLZIQYFGMTKLA-DVVUODLYSA-N 0 1 312.391 1.432 10 0 DDAEMN CCCN1CCCC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000328608964 354545243 /nfs/dbraw/zinc/54/52/43/354545243.db2.gz BUELLZCVKJIFOM-MGPQQGTHSA-N 0 1 322.409 1.277 10 0 DDAEMN CN1CCN(C(=O)c2cccc3n[nH]cc32)C[C@@H]1c1ncc[nH]1 ZINC000328628188 354551528 /nfs/dbraw/zinc/55/15/28/354551528.db2.gz NMBJFZHNORIKBX-CQSZACIVSA-N 0 1 310.361 1.415 10 0 DDAEMN CNCc1cn(-c2ccccc2I)nn1 ZINC000081274576 192244189 /nfs/dbraw/zinc/24/41/89/192244189.db2.gz HHIUOKUGNXYWNE-UHFFFAOYSA-N 0 1 314.130 1.591 10 0 DDAEMN Cc1oc(CN)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000089011359 192697497 /nfs/dbraw/zinc/69/74/97/192697497.db2.gz SUUBNJVLIGQXMV-UONOGXRCSA-N 0 1 306.387 1.881 10 0 DDAEMN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](N)c3ccccc3)C2)no1 ZINC000237773793 202352153 /nfs/dbraw/zinc/35/21/53/202352153.db2.gz MMWIGPMERFCHPS-CJNGLKHVSA-N 0 1 314.389 1.859 10 0 DDAEMN CCN(C)C(=O)[C@H](C)NCc1cnc2c(cnn2C(C)C)c1 ZINC000188891067 200317422 /nfs/dbraw/zinc/31/74/22/200317422.db2.gz JMMOWQVDXUEYGB-LBPRGKRZSA-N 0 1 303.410 1.969 10 0 DDAEMN COc1ccc([C@@H](O)CNC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000195246222 201364899 /nfs/dbraw/zinc/36/48/99/201364899.db2.gz UPWKXMAODIIAGE-WMZOPIPTSA-N 0 1 314.385 1.719 10 0 DDAEMN COc1ccc([C@@H](O)CNC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000195246210 201365031 /nfs/dbraw/zinc/36/50/31/201365031.db2.gz UPWKXMAODIIAGE-FUHWJXTLSA-N 0 1 314.385 1.719 10 0 DDAEMN O=C([O-])[C@@H]1CCC[N@H+]1C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000038042407 304113889 /nfs/dbraw/zinc/11/38/89/304113889.db2.gz YSMLWBFMTMGXGU-JTQLQIEISA-N 0 1 308.300 1.479 10 0 DDAEMN Cc1[nH]ncc1CNS(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091500094 193064925 /nfs/dbraw/zinc/06/49/25/193064925.db2.gz FTUFAFFAQUXKJS-UHFFFAOYSA-N 0 1 305.363 1.260 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092261125 193182211 /nfs/dbraw/zinc/18/22/11/193182211.db2.gz BCDUNGFLPBQDJN-OCCSQVGLSA-N 0 1 321.515 1.996 10 0 DDAEMN CCN(CC(=O)Nc1ccc(C(N)=S)cc1)CC(C)(C)O ZINC000092967316 193189621 /nfs/dbraw/zinc/18/96/21/193189621.db2.gz PZLVHMBTJVVZCM-UHFFFAOYSA-N 0 1 309.435 1.352 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000093249252 193220589 /nfs/dbraw/zinc/22/05/89/193220589.db2.gz AIDGKPLWIQLNHC-APPZFPTMSA-N 0 1 323.871 1.866 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N[C@@H](C)CN2CCCC2)c1 ZINC000094358535 193364198 /nfs/dbraw/zinc/36/41/98/193364198.db2.gz NJWAAWQYWPIAMA-LBPRGKRZSA-N 0 1 311.451 1.648 10 0 DDAEMN CC(C)NCc1cn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645169 193389899 /nfs/dbraw/zinc/38/98/99/193389899.db2.gz GBHXOEAGLQTLAW-CHWSQXEVSA-N 0 1 300.428 1.304 10 0 DDAEMN O=C([O-])C[C@@H]1C[N@H+]([C@@H]2CCOC3(CCSCC3)C2)CCO1 ZINC000094383015 193367483 /nfs/dbraw/zinc/36/74/83/193367483.db2.gz FTSSQODZBBUNOU-CHWSQXEVSA-N 0 1 315.435 1.607 10 0 DDAEMN O=C([O-])c1cc(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)ccc1O ZINC000019766897 182144707 /nfs/dbraw/zinc/14/47/07/182144707.db2.gz OXKVSNBCXQOMMZ-LBPRGKRZSA-N 0 1 318.329 1.208 10 0 DDAEMN COc1ccc(OCC(=O)N2CCNCC2)c(C(C)(C)C)c1 ZINC000019795604 182151233 /nfs/dbraw/zinc/15/12/33/182151233.db2.gz PBBUGUIQHMCHOF-UHFFFAOYSA-N 0 1 306.406 1.803 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c(N)c2)C1 ZINC000040501830 183083570 /nfs/dbraw/zinc/08/35/70/183083570.db2.gz MBDJWGGLVJXQAP-LLVKDONJSA-N 0 1 313.423 1.040 10 0 DDAEMN O=C([O-])C[C@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000042162981 183237299 /nfs/dbraw/zinc/23/72/99/183237299.db2.gz BZRRXLQPQQBXHT-GFCCVEGCSA-N 0 1 308.403 1.572 10 0 DDAEMN CNc1ccc(S(=O)(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000042782434 183309266 /nfs/dbraw/zinc/30/92/66/183309266.db2.gz HPBZQXUUOZJPII-UHFFFAOYSA-N 0 1 313.467 1.937 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000043714182 183383600 /nfs/dbraw/zinc/38/36/00/183383600.db2.gz HXGVJCVPLBDHAN-LLVKDONJSA-N 0 1 304.268 1.641 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NCc2ccccc2)CCN1C[C@@H](C)O ZINC000105825483 194136964 /nfs/dbraw/zinc/13/69/64/194136964.db2.gz VFIUYXGFKRCIIA-NVXWUHKLSA-N 0 1 319.449 1.080 10 0 DDAEMN CC(C)N(C(=O)CN1CCC(Nc2cccnn2)CC1)C(C)C ZINC000105804579 194133257 /nfs/dbraw/zinc/13/32/57/194133257.db2.gz ZSFRFCVEZCMFSI-UHFFFAOYSA-N 0 1 319.453 1.998 10 0 DDAEMN COC(=O)c1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105898129 194163277 /nfs/dbraw/zinc/16/32/77/194163277.db2.gz KDUNSFOAQITCIC-OAHLLOKOSA-N 0 1 300.362 1.902 10 0 DDAEMN COc1cc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)ccn1 ZINC000106428654 194213308 /nfs/dbraw/zinc/21/33/08/194213308.db2.gz OSJLKENIWMTJBE-INIZCTEOSA-N 0 1 313.401 1.879 10 0 DDAEMN COC(=O)CCCS(=O)(=O)Nc1cccc2cccnc21 ZINC000049062338 183708196 /nfs/dbraw/zinc/70/81/96/183708196.db2.gz HUNSADMIKWEING-UHFFFAOYSA-N 0 1 308.359 1.930 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000109465017 194265530 /nfs/dbraw/zinc/26/55/30/194265530.db2.gz RTOSGVVNIVCYPM-OLZOCXBDSA-N 0 1 313.467 1.012 10 0 DDAEMN CCCNc1cc(S(=O)(=O)N(C)CCN(C)C)ccn1 ZINC000111150828 194396150 /nfs/dbraw/zinc/39/61/50/194396150.db2.gz HZAAGZBICSCUSW-UHFFFAOYSA-N 0 1 300.428 1.086 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655943 184181095 /nfs/dbraw/zinc/18/10/95/184181095.db2.gz DLKFATQOJSMVDU-CQSZACIVSA-N 0 1 311.451 1.833 10 0 DDAEMN CN(CCNS(=O)(=O)c1cc(N)ccc1Cl)C1CC1 ZINC000061992554 184200362 /nfs/dbraw/zinc/20/03/62/184200362.db2.gz XGAXFDARPAEFOL-UHFFFAOYSA-N 0 1 303.815 1.295 10 0 DDAEMN CN(CCNS(=O)(=O)c1ccc(Cl)c(N)c1)C1CC1 ZINC000061992559 184200696 /nfs/dbraw/zinc/20/06/96/184200696.db2.gz LMIMIFWTBOITIG-UHFFFAOYSA-N 0 1 303.815 1.295 10 0 DDAEMN CC(C)(C)[C@@H]1CC[C@@H](O)[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062085856 184205425 /nfs/dbraw/zinc/20/54/25/184205425.db2.gz GDYPPFASIYCZHA-MGPQQGTHSA-N 0 1 318.483 1.139 10 0 DDAEMN Nc1cc(NC(=O)CCN2CCNC(=O)CC2)ccc1Cl ZINC000062099699 184205987 /nfs/dbraw/zinc/20/59/87/184205987.db2.gz RGYNQYFAKLOXOQ-UHFFFAOYSA-N 0 1 310.785 1.073 10 0 DDAEMN CCC1(CC)CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000062958115 184262208 /nfs/dbraw/zinc/26/22/08/184262208.db2.gz LHLFPZKAEFFLRH-GFCCVEGCSA-N 0 1 304.456 1.177 10 0 DDAEMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(F)cc(F)c1 ZINC000062743067 184252027 /nfs/dbraw/zinc/25/20/27/184252027.db2.gz DHBKVZFHEOOMBI-UHFFFAOYSA-N 0 1 300.305 1.946 10 0 DDAEMN CCS(=O)(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 ZINC000064969622 184307133 /nfs/dbraw/zinc/30/71/33/184307133.db2.gz QYYMNVSDMAWNSV-UHFFFAOYSA-N 0 1 308.407 1.186 10 0 DDAEMN COCCN1C(=O)CC[C@H]2[C@H]1CCN2Cc1c(C)noc1C ZINC000247819679 257117008 /nfs/dbraw/zinc/11/70/08/257117008.db2.gz CQUITKGKHFRSFB-LSDHHAIUSA-N 0 1 307.394 1.503 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NC2CCOCC2)C12CCCC2 ZINC000121154539 286245956 /nfs/dbraw/zinc/24/59/56/286245956.db2.gz KPWALMYABMPEJV-HZPDHXFCSA-N 0 1 324.465 1.951 10 0 DDAEMN CN1CCN(c2cccc(Nc3nc4[nH]ccc4c(=O)[nH]3)c2)CC1 ZINC000071261329 406834527 /nfs/dbraw/zinc/83/45/27/406834527.db2.gz XVNCGMKUADYYKF-UHFFFAOYSA-N 0 1 324.388 1.747 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CCO[C@H]3CCCC[C@H]32)[nH]1 ZINC000073706110 406892966 /nfs/dbraw/zinc/89/29/66/406892966.db2.gz VLVZUURSOZUCMG-NEPJUHHUSA-N 0 1 310.423 1.765 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000078029057 407017365 /nfs/dbraw/zinc/01/73/65/407017365.db2.gz KXFXLKBXMGUUNL-HNNXBMFYSA-N 0 1 304.438 1.754 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000123625469 407335161 /nfs/dbraw/zinc/33/51/61/407335161.db2.gz OIACPYNCXUOGRM-INIZCTEOSA-N 0 1 302.422 1.531 10 0 DDAEMN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc2[nH]nnc2c1 ZINC000125099249 407379046 /nfs/dbraw/zinc/37/90/46/407379046.db2.gz FBDMCXLGQSBTDA-LBPRGKRZSA-N 0 1 323.360 1.147 10 0 DDAEMN CSCc1noc(CCC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000178521895 407481868 /nfs/dbraw/zinc/48/18/68/407481868.db2.gz NWHNZNRWKKBYDE-LBPRGKRZSA-N 0 1 324.450 1.562 10 0 DDAEMN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCc2[nH]nnc2C1 ZINC000170241112 407441190 /nfs/dbraw/zinc/44/11/90/407441190.db2.gz MBPWQNYZAOPOOD-NSHDSACASA-N 0 1 309.373 1.750 10 0 DDAEMN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCc2nn[nH]c2C1 ZINC000170241112 407441193 /nfs/dbraw/zinc/44/11/93/407441193.db2.gz MBPWQNYZAOPOOD-NSHDSACASA-N 0 1 309.373 1.750 10 0 DDAEMN COc1c(C)cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000170873595 407543157 /nfs/dbraw/zinc/54/31/57/407543157.db2.gz RTXDKLXCTYYDGQ-CYBMUJFWSA-N 0 1 312.435 1.637 10 0 DDAEMN Cc1ccc(CCNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000186164665 407592870 /nfs/dbraw/zinc/59/28/70/407592870.db2.gz IQBSLCGLAFOLFI-HUUCEWRRSA-N 0 1 320.437 1.029 10 0 DDAEMN CCN(CC(=O)N[C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152723955 407679578 /nfs/dbraw/zinc/67/95/78/407679578.db2.gz PBHSROZPMGSRFV-ZDUSSCGKSA-N 0 1 303.410 1.046 10 0 DDAEMN O=C(NCc1cccc(CO)c1)N1CCN2CCCC[C@H]2C1 ZINC000171710365 407747926 /nfs/dbraw/zinc/74/79/26/407747926.db2.gz VJNZYUPJAKPUQK-INIZCTEOSA-N 0 1 303.406 1.559 10 0 DDAEMN CCOc1cccc(CNC(=O)[C@@H](N)COC)c1OC(F)F ZINC000262300409 407788089 /nfs/dbraw/zinc/78/80/89/407788089.db2.gz NWCOFOGSFDSONI-JTQLQIEISA-N 0 1 318.320 1.277 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000262389801 407822651 /nfs/dbraw/zinc/82/26/51/407822651.db2.gz YRODDMSEMJADOU-LBPRGKRZSA-N 0 1 300.761 1.601 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2OC)CCN1CCOC ZINC000117308646 407827217 /nfs/dbraw/zinc/82/72/17/407827217.db2.gz RASZQXBXGXBGCM-MRXNPFEDSA-N 0 1 320.433 1.807 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000262593356 407877920 /nfs/dbraw/zinc/87/79/20/407877920.db2.gz WPXUHIWLGUERME-GFCCVEGCSA-N 0 1 318.402 1.848 10 0 DDAEMN CCOc1ccccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173522933 407885220 /nfs/dbraw/zinc/88/52/20/407885220.db2.gz HYOKKEDTCPYUDQ-CQSZACIVSA-N 0 1 316.361 1.726 10 0 DDAEMN COc1cccc(CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173528522 407885858 /nfs/dbraw/zinc/88/58/58/407885858.db2.gz ASACFDLTCQNZCL-AWEZNQCLSA-N 0 1 316.361 1.264 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000262687327 407900257 /nfs/dbraw/zinc/90/02/57/407900257.db2.gz CXXIBBNVFQARIA-IYXRBSQSSA-N 0 1 320.389 1.508 10 0 DDAEMN CSC[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187878296 407903425 /nfs/dbraw/zinc/90/34/25/407903425.db2.gz LLTVTDIRLKIJTB-HZPDHXFCSA-N 0 1 310.463 1.062 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2ccc(F)cc2)C1 ZINC000262727624 407910681 /nfs/dbraw/zinc/91/06/81/407910681.db2.gz TZCNOXDNPDRYEW-UHFFFAOYSA-N 0 1 320.364 1.883 10 0 DDAEMN CC[C@@H](CSC)NC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000179980058 407845879 /nfs/dbraw/zinc/84/58/79/407845879.db2.gz KWERRJXGBGWHPU-KBPBESRZSA-N 0 1 317.499 1.880 10 0 DDAEMN C[C@H]1CCN(C[C@H](O)COCc2ccccc2)[C@H](C(N)=O)C1 ZINC000187387819 407851813 /nfs/dbraw/zinc/85/18/13/407851813.db2.gz NUNDMVJOSZYMRJ-BPUTZDHNSA-N 0 1 306.406 1.150 10 0 DDAEMN CCc1ccc(CCN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262766420 407922631 /nfs/dbraw/zinc/92/26/31/407922631.db2.gz AUXVRGNZSAHADB-QGZVFWFLSA-N 0 1 320.433 1.509 10 0 DDAEMN CCOCCN1CC[N@H+](CCO[C@@H]2CCCCO2)C[C@H]1CC ZINC000181689351 408026215 /nfs/dbraw/zinc/02/62/15/408026215.db2.gz MUIOAJYEWCCPHV-IAGOWNOFSA-N 0 1 314.470 1.962 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC3(OC)CCC3)CCO2)n[nH]1 ZINC000181796201 408040272 /nfs/dbraw/zinc/04/02/72/408040272.db2.gz DRLYCWPUVNWLLN-LLVKDONJSA-N 0 1 323.397 1.019 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181392794 407991985 /nfs/dbraw/zinc/99/19/85/407991985.db2.gz JKKGGDDAAOAFKP-OAHLLOKOSA-N 0 1 319.453 1.379 10 0 DDAEMN Cc1csc(CNC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)n1 ZINC000175337478 408108818 /nfs/dbraw/zinc/10/88/18/408108818.db2.gz MFWNQOBZJQQZEA-JTQLQIEISA-N 0 1 322.394 1.161 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H](C)CC2)C1 ZINC000263473037 408148664 /nfs/dbraw/zinc/14/86/64/408148664.db2.gz LVONAEWKGQIRGQ-HSBZDZAISA-N 0 1 311.426 1.756 10 0 DDAEMN C[C@@H]([NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1)[C@H]1CCCOC1 ZINC000263520467 408162635 /nfs/dbraw/zinc/16/26/35/408162635.db2.gz QQWBAHFCZVCDLG-YUCHNRCRSA-N 0 1 310.438 1.719 10 0 DDAEMN CCOCCN1CCN(C(=O)CCCCc2cn[nH]n2)C[C@H]1C ZINC000139357683 408169981 /nfs/dbraw/zinc/16/99/81/408169981.db2.gz BTCLKMGCWPUEBZ-CQSZACIVSA-N 0 1 323.441 1.087 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000246191255 408171016 /nfs/dbraw/zinc/17/10/16/408171016.db2.gz OAWRDYCIBRAJFK-IINYFYTJSA-N 0 1 318.389 1.972 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCC3(C(C)C)CC3)CCO2)n[nH]1 ZINC000176353666 408347044 /nfs/dbraw/zinc/34/70/44/408347044.db2.gz HLIODZRVDGMCLE-GFCCVEGCSA-N 0 1 307.398 1.632 10 0 DDAEMN CC(C)COC[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000176354911 408347136 /nfs/dbraw/zinc/34/71/36/408347136.db2.gz WVBKSZJQARKFRW-IRXDYDNUSA-N 0 1 322.449 1.309 10 0 DDAEMN CCc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000136367670 162117685 /nfs/dbraw/zinc/11/76/85/162117685.db2.gz HPEOJTGRWMKPEY-CYBMUJFWSA-N 0 1 314.393 1.503 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n[nH]1 ZINC000173530875 162345833 /nfs/dbraw/zinc/34/58/33/162345833.db2.gz LNFHZCYPZJWUKX-ZDUSSCGKSA-N 0 1 304.325 1.774 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173533888 162347267 /nfs/dbraw/zinc/34/72/67/162347267.db2.gz TZJFMFGBJYUXGJ-AWEZNQCLSA-N 0 1 318.352 1.785 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3cccc(C)c3)CCO2)n[nH]1 ZINC000173565677 162348929 /nfs/dbraw/zinc/34/89/29/162348929.db2.gz MPNMRWMSJGAEON-CQSZACIVSA-N 0 1 314.389 1.818 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C)c(F)cc3F)CCO2)n[nH]1 ZINC000176504415 408381561 /nfs/dbraw/zinc/38/15/61/408381561.db2.gz FISSLIYCXGSVHY-ZDUSSCGKSA-N 0 1 322.315 1.913 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000247109308 408410496 /nfs/dbraw/zinc/41/04/96/408410496.db2.gz IXRBOKIMELEUCI-HUUCEWRRSA-N 0 1 308.426 1.370 10 0 DDAEMN CCOC(=O)C1CCC(O)(CN2CC[NH+](CC3CC3)CC2)CC1 ZINC000191442617 408426778 /nfs/dbraw/zinc/42/67/78/408426778.db2.gz UQYULZUYZLZJHK-UHFFFAOYSA-N 0 1 324.465 1.498 10 0 DDAEMN C[C@@H](C(=O)NCC1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247243431 408436469 /nfs/dbraw/zinc/43/64/69/408436469.db2.gz YDOMHLAMDRYPSI-DOTOQJQBSA-N 0 1 323.481 1.478 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2cccnc2OC)CCN1C[C@H](C)O ZINC000247704502 408503963 /nfs/dbraw/zinc/50/39/63/408503963.db2.gz YOYXUJIXVHTADH-QWHCGFSZSA-N 0 1 322.409 1.399 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)CCN1C[C@@H](C)O ZINC000247389305 408461205 /nfs/dbraw/zinc/46/12/05/408461205.db2.gz WYQSQKIWRUMSBY-BZUAXINKSA-N 0 1 311.470 1.164 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C[C@H]1C ZINC000247402783 408465889 /nfs/dbraw/zinc/46/58/89/408465889.db2.gz YRVBXYZAKRZSIJ-ILXRZTDVSA-N 0 1 323.481 1.163 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2ccccn2)CCN1C[C@H](C)O ZINC000248376079 408553088 /nfs/dbraw/zinc/55/30/88/408553088.db2.gz ZCBGCXKGIFMTIX-HOCLYGCPSA-N 0 1 320.437 1.111 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177228381 408558007 /nfs/dbraw/zinc/55/80/07/408558007.db2.gz HYCIKRXWLDUDOC-PMPSAXMXSA-N 0 1 311.470 1.190 10 0 DDAEMN CCOC[C@H](NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)C(C)C ZINC000248972034 408670110 /nfs/dbraw/zinc/67/01/10/408670110.db2.gz SMKHGKHXJHRGPO-KKUMJFAQSA-N 0 1 315.458 1.144 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(c2cccc(OC)c2)CC1 ZINC000193246633 408705493 /nfs/dbraw/zinc/70/54/93/408705493.db2.gz QMJMEKCKGJVUAV-KRWDZBQOSA-N 0 1 322.449 1.995 10 0 DDAEMN COC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000249231396 408707229 /nfs/dbraw/zinc/70/72/29/408707229.db2.gz VNVQNYVRJBVZGO-PVAVHDDUSA-N 0 1 320.433 1.422 10 0 DDAEMN O[C@H](CN1CC[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000252481295 408796674 /nfs/dbraw/zinc/79/66/74/408796674.db2.gz UQIXGCYSCKSQOR-HZPDHXFCSA-N 0 1 310.825 1.780 10 0 DDAEMN CC(C)c1nc(N(C)C)nc(N2CCN3CCCC[C@H]3C2)n1 ZINC000301912278 410825415 /nfs/dbraw/zinc/82/54/15/410825415.db2.gz GWMCRBXPAZQMGK-ZDUSSCGKSA-N 0 1 304.442 1.736 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3ccc(O)cc3)CCO2)n[nH]1 ZINC000492522444 420582582 /nfs/dbraw/zinc/58/25/82/420582582.db2.gz OXERCPHXBKEFSG-ZBKLQPJUSA-N 0 1 314.345 1.432 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@H](Nc2cc[nH]n2)C1 ZINC000616620902 422517777 /nfs/dbraw/zinc/51/77/77/422517777.db2.gz NQURCKMSLJQUAN-LBPRGKRZSA-N 0 1 309.414 1.811 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000194149592 263505894 /nfs/dbraw/zinc/50/58/94/263505894.db2.gz CXJUHEQTRWICNG-NSHDSACASA-N 0 1 311.332 1.504 10 0 DDAEMN CC[C@H]1C[N@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)CCS1 ZINC000643874058 423389987 /nfs/dbraw/zinc/38/99/87/423389987.db2.gz NOQPOLKLLAPNCQ-NWDGAFQWSA-N 0 1 300.424 1.280 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262308818 293118002 /nfs/dbraw/zinc/11/80/02/293118002.db2.gz OUHPXIZGSCHBPJ-HRCADAONSA-N 0 1 306.406 1.553 10 0 DDAEMN C[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)[C@@H](C)CN1 ZINC000086468666 297061388 /nfs/dbraw/zinc/06/13/88/297061388.db2.gz CIKAFKJASGYEIL-SFYZADRCSA-N 0 1 308.325 1.475 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C)n2CC)C[C@H]1CC ZINC000171574634 298233981 /nfs/dbraw/zinc/23/39/81/298233981.db2.gz GLOOIGNUZGRGCM-OAHLLOKOSA-N 0 1 309.458 1.539 10 0 DDAEMN CCN1CCN(c2ccc(-n3cnnc3)cc2C(=O)OC)CC1 ZINC000226277738 490701349 /nfs/dbraw/zinc/70/13/49/490701349.db2.gz UXCIPLYFEDPDFU-UHFFFAOYSA-N 0 1 315.377 1.196 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCO[C@H](C)C2)C12CCCC2 ZINC000172670458 697370520 /nfs/dbraw/zinc/37/05/20/697370520.db2.gz XJSXZKXDWVTUMH-BZUAXINKSA-N 0 1 324.465 1.903 10 0 DDAEMN Cn1ncc(Br)c1C(=O)N[C@H]1CN2CCC1CC2 ZINC000222554282 697757845 /nfs/dbraw/zinc/75/78/45/697757845.db2.gz SCPONPYEFGZFSU-JTQLQIEISA-N 0 1 313.199 1.007 10 0 DDAEMN O=C([O-])c1cn(C[C@@H]2CCC[N@@H+](C/C=C\c3ccco3)C2)nn1 ZINC000229594392 697778670 /nfs/dbraw/zinc/77/86/70/697778670.db2.gz NCJBQLXNJAMTOX-JLIVMUMWSA-N 0 1 316.361 1.995 10 0 DDAEMN NC(=O)CCn1ccc(NS(=O)(=O)/C=C\c2ccccc2)n1 ZINC000255845616 698424257 /nfs/dbraw/zinc/42/42/57/698424257.db2.gz PRPDCUMMOPMAJQ-FLIBITNWSA-N 0 1 320.374 1.171 10 0 DDAEMN C[C@H](NC(=O)c1ccnc(CN)c1)c1ccc2c(c1)OCCO2 ZINC000261774410 698437078 /nfs/dbraw/zinc/43/70/78/698437078.db2.gz REYBQSVOFXOPJL-NSHDSACASA-N 0 1 313.357 1.803 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)c2ccccc2)C1 ZINC000262890698 698483332 /nfs/dbraw/zinc/48/33/32/698483332.db2.gz CAEBGUNERMAAFV-GRTSSRMGSA-N 0 1 319.405 1.984 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2nccs2)C1 ZINC000702842396 699234041 /nfs/dbraw/zinc/23/40/41/699234041.db2.gz WUBKVONCODEDJD-MNOVXSKESA-N 0 1 313.423 1.461 10 0 DDAEMN Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000720633249 699306535 /nfs/dbraw/zinc/30/65/35/699306535.db2.gz FDPIUJVBNVLUMA-ZETCQYMHSA-N 0 1 315.164 1.822 10 0 DDAEMN Cc1c(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(N)=O)ccn1C ZINC000828187411 706135167 /nfs/dbraw/zinc/13/51/67/706135167.db2.gz WKRUVDOYWNCQJG-ZDUSSCGKSA-N 0 1 315.377 1.523 10 0 DDAEMN COCc1ccc(CN2CCC[C@@](O)(Cc3nncn3C)C2)o1 ZINC000886088740 708695968 /nfs/dbraw/zinc/69/59/68/708695968.db2.gz MGTGRDWCHYZRHK-MRXNPFEDSA-N 0 1 320.393 1.124 10 0 DDAEMN CO[C@@H]1CN(Cc2cccc3nccn32)C[C@H]1c1cn(C)nn1 ZINC000886093796 708697008 /nfs/dbraw/zinc/69/70/08/708697008.db2.gz ILYPKRODEGWQIJ-DZGCQCFKSA-N 0 1 312.377 1.077 10 0 DDAEMN Cn1cc([C@H]2OCC[C@@H]2CNCc2nn(C)cc2Cl)cn1 ZINC000888078320 709210427 /nfs/dbraw/zinc/21/04/27/709210427.db2.gz JGCQDGXERFJUIU-YGRLFVJLSA-N 0 1 309.801 1.674 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2c(C)[nH]nc2Cl)C1 ZINC000908094346 712685387 /nfs/dbraw/zinc/68/53/87/712685387.db2.gz WDQMRPUXCCABGX-SFYZADRCSA-N 0 1 310.745 1.092 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H](C)SC)CCN1C[C@H](C)O ZINC000248504263 282088038 /nfs/dbraw/zinc/08/80/38/282088038.db2.gz VJNYCMPQHDRRCB-YNEHKIRRSA-N 0 1 303.472 1.225 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCSC)CCN1C[C@H](C)O ZINC000248484729 282087329 /nfs/dbraw/zinc/08/73/29/282087329.db2.gz KGLZRDONUAVDPI-STQMWFEESA-N 0 1 303.472 1.226 10 0 DDAEMN COc1ccccc1N1CCN(C(=O)CN2CCCCC2)CC1 ZINC000074693564 185010077 /nfs/dbraw/zinc/01/00/77/185010077.db2.gz ZAXDEAXWLODASD-UHFFFAOYSA-N 0 1 317.433 1.830 10 0 DDAEMN CCc1c(NC(=O)[C@@H]2C[C@H]2C(=O)OC)[nH]nc1-c1ccncc1 ZINC000076880063 185048256 /nfs/dbraw/zinc/04/82/56/185048256.db2.gz DEVOJDMLXOKJTO-VXGBXAGGSA-N 0 1 314.345 1.782 10 0 DDAEMN COC(=O)C[C@H](N[C@@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900050 192334886 /nfs/dbraw/zinc/33/48/86/192334886.db2.gz OJWWSFIIYKIYFF-UWVGGRQHSA-N 0 1 305.421 1.375 10 0 DDAEMN NC(=O)[C@@H](CSc1ccc(Br)cn1)NC1CC1 ZINC000079447569 185172099 /nfs/dbraw/zinc/17/20/99/185172099.db2.gz DRVDYFFDIFMLOY-SECBINFHSA-N 0 1 316.224 1.542 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@@H](N)c1ccc2ccccc2c1 ZINC000081975563 192347554 /nfs/dbraw/zinc/34/75/54/192347554.db2.gz BXBNOMBEPBYJDP-CQSZACIVSA-N 0 1 307.371 1.427 10 0 DDAEMN COC(=O)[C@H](CSc1nc2ccc(C)cc2[nH]1)NC(C)=O ZINC000088116871 185239880 /nfs/dbraw/zinc/23/98/80/185239880.db2.gz HEHDVZKSRVHMGE-LBPRGKRZSA-N 0 1 307.375 1.641 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)N1CCCCc2ccccc21 ZINC000088336041 185246343 /nfs/dbraw/zinc/24/63/43/185246343.db2.gz YJYFVHCJNRTGMI-CYBMUJFWSA-N 0 1 310.419 1.118 10 0 DDAEMN CCCc1ccc([C@H](N)CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081974810 192348421 /nfs/dbraw/zinc/34/84/21/192348421.db2.gz KNSWAEHYPACBAA-CQSZACIVSA-N 0 1 313.419 1.617 10 0 DDAEMN CCCCc1nnc(NC(=O)CN[C@@H](C)[C@H]2CCCO2)s1 ZINC000183146009 539241217 /nfs/dbraw/zinc/24/12/17/539241217.db2.gz XEXXKFWJUWYITH-WDEREUQCSA-N 0 1 312.439 1.976 10 0 DDAEMN N=C1N[C@H](c2cc(Br)c3c(c2)OCCCO3)CO1 ZINC000088532403 185255052 /nfs/dbraw/zinc/25/50/52/185255052.db2.gz VYYYHEVLXWEVOG-VIFPVBQESA-N 0 1 313.151 1.996 10 0 DDAEMN NCc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)o1 ZINC000088543091 185256232 /nfs/dbraw/zinc/25/62/32/185256232.db2.gz HRFTVVCHFGMZDG-UHFFFAOYSA-N 0 1 314.794 1.913 10 0 DDAEMN C[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(CN)o1 ZINC000088550687 185257596 /nfs/dbraw/zinc/25/75/96/185257596.db2.gz AKPGNDQYAYNLGF-SNVBAGLBSA-N 0 1 312.366 1.787 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N[C@@H]3CCCN(C)C3)c(N)c12 ZINC000088641137 185260683 /nfs/dbraw/zinc/26/06/83/185260683.db2.gz XPPJAXYANAUEMC-SECBINFHSA-N 0 1 307.423 1.349 10 0 DDAEMN CN(C1CCN(C)CC1)S(=O)(=O)c1cc(CO)ccc1F ZINC000088876088 185267901 /nfs/dbraw/zinc/26/79/01/185267901.db2.gz VTYRIPSFUBYWMR-UHFFFAOYSA-N 0 1 316.398 1.033 10 0 DDAEMN CCN[C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCCOC ZINC000081985974 192349852 /nfs/dbraw/zinc/34/98/52/192349852.db2.gz QFGXUHQSKKSMGR-LSDHHAIUSA-N 0 1 313.419 1.550 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000088891437 185269563 /nfs/dbraw/zinc/26/95/63/185269563.db2.gz FKWLYKIEDVMLJH-JOYOIKCWSA-N 0 1 301.412 1.410 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(CO)sc1C ZINC000088895156 185270156 /nfs/dbraw/zinc/27/01/56/185270156.db2.gz ZERALRXBIBXSLC-UHFFFAOYSA-N 0 1 320.480 1.511 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000088902488 185270666 /nfs/dbraw/zinc/27/06/66/185270666.db2.gz HYTUOVKMDRAABZ-GFCCVEGCSA-N 0 1 315.439 1.657 10 0 DDAEMN COCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092388727 185315337 /nfs/dbraw/zinc/31/53/37/185315337.db2.gz OGODUDMNASTJDS-LSDHHAIUSA-N 0 1 313.419 1.461 10 0 DDAEMN CCCc1nn(C)c2c1[nH]c(=S)n2CCN(C)CCOC ZINC000092580266 185326950 /nfs/dbraw/zinc/32/69/50/185326950.db2.gz NBERAZPOBVAMPE-UHFFFAOYSA-N 0 1 311.455 1.963 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000092622349 185329918 /nfs/dbraw/zinc/32/99/18/185329918.db2.gz FJJIAVKXABWQDB-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN CNCc1[nH]nc(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833207 185344909 /nfs/dbraw/zinc/34/49/09/185344909.db2.gz DVMFLYGPAVZPIV-UHFFFAOYSA-N 0 1 300.428 1.150 10 0 DDAEMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000092926819 185349450 /nfs/dbraw/zinc/34/94/50/185349450.db2.gz JUNFPGLHXWYBQX-MFKMUULPSA-N 0 1 310.781 1.751 10 0 DDAEMN CN[C@@H](C[S@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035724 192396477 /nfs/dbraw/zinc/39/64/77/192396477.db2.gz FFKAWGBIYDKVNF-RBZFPXEDSA-N 0 1 301.408 1.359 10 0 DDAEMN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000072165529 191065822 /nfs/dbraw/zinc/06/58/22/191065822.db2.gz WQCSNENEZFQUAR-SNVBAGLBSA-N 0 1 307.375 1.814 10 0 DDAEMN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000072165529 191065824 /nfs/dbraw/zinc/06/58/24/191065824.db2.gz WQCSNENEZFQUAR-SNVBAGLBSA-N 0 1 307.375 1.814 10 0 DDAEMN CC(=O)Nc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)cs1 ZINC000072368191 191138312 /nfs/dbraw/zinc/13/83/12/191138312.db2.gz ZIIPDOLSMXHDFW-LLVKDONJSA-N 0 1 310.423 1.369 10 0 DDAEMN COC(=O)[C@@H]1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172775394 198148146 /nfs/dbraw/zinc/14/81/46/198148146.db2.gz XNPRNAPCTDMWLJ-UKRRQHHQSA-N 0 1 318.373 1.897 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccccc3C)CCO2)n[nH]1 ZINC000173563928 198228361 /nfs/dbraw/zinc/22/83/61/198228361.db2.gz OVHPXXZRBFPCJD-AWEZNQCLSA-N 0 1 314.389 1.818 10 0 DDAEMN Cn1cc([C@@H]2CCN(C(=O)[C@H]3NCCc4ccccc43)C2)cn1 ZINC000169165877 354251149 /nfs/dbraw/zinc/25/11/49/354251149.db2.gz ISSHXOQUTBRXHS-PBHICJAKSA-N 0 1 310.401 1.623 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695420 192313835 /nfs/dbraw/zinc/31/38/35/192313835.db2.gz KXPUVPXVWRHELA-UHFFFAOYSA-N 0 1 318.830 1.034 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000195178716 201352838 /nfs/dbraw/zinc/35/28/38/201352838.db2.gz OFMPCWGRKSMNNO-WMZOPIPTSA-N 0 1 321.465 1.938 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)N2CCCC2)CC1 ZINC000091488433 193063114 /nfs/dbraw/zinc/06/31/14/193063114.db2.gz NGGBNZLGHKMJQA-UHFFFAOYSA-N 0 1 301.481 1.093 10 0 DDAEMN CCOC(=O)c1ncsc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091681380 193090177 /nfs/dbraw/zinc/09/01/77/193090177.db2.gz WEYWFAANBMVWKW-GHMZBOCLSA-N 0 1 311.407 1.595 10 0 DDAEMN O=C(CNCc1cc(=O)c2cccc(F)c2[nH]1)N1CCCC1 ZINC000091950730 193131020 /nfs/dbraw/zinc/13/10/20/193131020.db2.gz LAUVJDGKUIRDPE-UHFFFAOYSA-N 0 1 303.337 1.379 10 0 DDAEMN CCS(=O)(=O)CCOc1ccc(C)nc1CNC(C)C ZINC000091995583 193138088 /nfs/dbraw/zinc/13/80/88/193138088.db2.gz LTMMJPJIAJUNKW-UHFFFAOYSA-N 0 1 300.424 1.702 10 0 DDAEMN Cc1csc2nc(C)c(CNCC(C)(C)S(C)(=O)=O)n12 ZINC000093521058 193263129 /nfs/dbraw/zinc/26/31/29/193263129.db2.gz KUUXQDONCARANJ-UHFFFAOYSA-N 0 1 315.464 1.925 10 0 DDAEMN CC(C)(C)[N@@H+](CCC(=O)[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698192 193292595 /nfs/dbraw/zinc/29/25/95/193292595.db2.gz BUQIKIODRTTYOA-GFCCVEGCSA-N 0 1 320.455 1.233 10 0 DDAEMN CCCN[C@H](c1cc(Cl)cnc1N)[C@H]1CN2CCN1CC2 ZINC000094510663 193376096 /nfs/dbraw/zinc/37/60/96/193376096.db2.gz URYGTYVHOKTQFR-ZIAGYGMSSA-N 0 1 309.845 1.358 10 0 DDAEMN COC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173661517 284300832 /nfs/dbraw/zinc/30/08/32/284300832.db2.gz LMWABECPMFXWFV-KGLIPLIRSA-N 0 1 316.361 1.401 10 0 DDAEMN CCCN1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000021502652 182275535 /nfs/dbraw/zinc/27/55/35/182275535.db2.gz NDMFMNXRVAATAZ-UHFFFAOYSA-N 0 1 310.829 1.888 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2cnc(Cl)s2)CC1 ZINC000038105820 182990762 /nfs/dbraw/zinc/99/07/62/182990762.db2.gz PBRIWRLYGSRUKD-UHFFFAOYSA-N 0 1 323.871 1.901 10 0 DDAEMN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)s1 ZINC000041679084 183215836 /nfs/dbraw/zinc/21/58/36/183215836.db2.gz JDWVUCFTROILJE-QMMMGPOBSA-N 0 1 311.860 1.805 10 0 DDAEMN CC(C)[N@@H+](C)CCCCNC(=O)N1CSC[C@H]1C(=O)[O-] ZINC000041682588 183217151 /nfs/dbraw/zinc/21/71/51/183217151.db2.gz PSRDPNWROGYJDB-NSHDSACASA-N 0 1 303.428 1.276 10 0 DDAEMN CN1CCN(C(=O)CSc2nc3ccc(N)cc3[nH]2)CC1 ZINC000042142104 183234817 /nfs/dbraw/zinc/23/48/17/183234817.db2.gz LFNJGKMTOVPWNS-UHFFFAOYSA-N 0 1 305.407 1.011 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NCCC(C)(C)C)CCN1C[C@@H](C)O ZINC000105827475 194137464 /nfs/dbraw/zinc/13/74/64/194137464.db2.gz IGURRSQUWQELKQ-HUUCEWRRSA-N 0 1 313.486 1.316 10 0 DDAEMN CCOCCN1CCN(Cc2cc(C(=O)OC)co2)C[C@@H]1C ZINC000105835638 194141943 /nfs/dbraw/zinc/14/19/43/194141943.db2.gz SOJIUZZSSKKQFU-ZDUSSCGKSA-N 0 1 310.394 1.609 10 0 DDAEMN CCOCCN1CCN(Cc2nnnn2C(C)C)C[C@@H]1CC ZINC000105838595 194144782 /nfs/dbraw/zinc/14/47/82/194144782.db2.gz KXSKTHUAZHUJKI-AWEZNQCLSA-N 0 1 310.446 1.187 10 0 DDAEMN CC(C)n1ccnc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105866392 194150749 /nfs/dbraw/zinc/15/07/49/194150749.db2.gz ZQPXPUSXLIMYOH-UHFFFAOYSA-N 0 1 316.453 1.905 10 0 DDAEMN COCCN1CCN(Cc2ccc(F)cc2C(=O)OC)C[C@@H]1C ZINC000106107067 194185666 /nfs/dbraw/zinc/18/56/66/194185666.db2.gz FATREXGFUBRYPS-ZDUSSCGKSA-N 0 1 324.396 1.765 10 0 DDAEMN CN1CCN(CC(=O)Nc2ccc(Cl)cc2N)CC1(C)C ZINC000110704294 194351797 /nfs/dbraw/zinc/35/17/97/194351797.db2.gz ZHIAZDKIJNFHPJ-UHFFFAOYSA-N 0 1 310.829 1.887 10 0 DDAEMN COCCNC(=O)[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000061626720 184179215 /nfs/dbraw/zinc/17/92/15/184179215.db2.gz OWNSCDGJPPJYCV-SNVBAGLBSA-N 0 1 304.312 1.946 10 0 DDAEMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)N1CCNCC1 ZINC000062011131 184201040 /nfs/dbraw/zinc/20/10/40/184201040.db2.gz AGFRFYNDOLLJGC-LLVKDONJSA-N 0 1 309.797 1.291 10 0 DDAEMN CCN1CCN(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)CC1 ZINC000062070876 184204495 /nfs/dbraw/zinc/20/44/95/184204495.db2.gz HBEQFKORTMOOLY-BQYQJAHWSA-N 0 1 311.385 1.705 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)NCCOC)C1 ZINC000062877966 184257769 /nfs/dbraw/zinc/25/77/69/184257769.db2.gz LRLAQLWTWUUAJV-SWLSCSKDSA-N 0 1 300.399 1.104 10 0 DDAEMN Cc1csc(CCNC(=O)c2cnc(NN)c(Cl)c2)n1 ZINC000063141498 184273202 /nfs/dbraw/zinc/27/32/02/184273202.db2.gz IODMSYNEWUGCNV-UHFFFAOYSA-N 0 1 311.798 1.758 10 0 DDAEMN CN1C[C@H](NC(=O)c2cc(-c3ccccc3)on2)C[C@H]1CO ZINC000065508016 184357015 /nfs/dbraw/zinc/35/70/15/184357015.db2.gz IUQKYXVRZAWCLS-OLZOCXBDSA-N 0 1 301.346 1.136 10 0 DDAEMN COc1ccnc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)c1 ZINC000159056086 197322526 /nfs/dbraw/zinc/32/25/26/197322526.db2.gz IFRGJRLUIUFQAP-AWEZNQCLSA-N 0 1 307.394 1.146 10 0 DDAEMN C[NH+](C)CCN1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503719134 257208988 /nfs/dbraw/zinc/20/89/88/257208988.db2.gz YZPABFKWOHDFQF-IAGOWNOFSA-N 0 1 307.413 1.272 10 0 DDAEMN Fc1ccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@H]32)cc1 ZINC000503716870 257210011 /nfs/dbraw/zinc/21/00/11/257210011.db2.gz JATZKSZCKPKRBF-FGTMMUONSA-N 0 1 320.408 1.890 10 0 DDAEMN c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000121023319 195282062 /nfs/dbraw/zinc/28/20/62/195282062.db2.gz VNQBWJRYJXWICL-QGZVFWFLSA-N 0 1 300.402 1.869 10 0 DDAEMN CC(C)(C)c1ccc(OCCS(=O)(=O)c2n[nH]c(N)n2)cc1 ZINC000008015951 406774572 /nfs/dbraw/zinc/77/45/72/406774572.db2.gz VFUFZBMVSWZERQ-UHFFFAOYSA-N 0 1 324.406 1.537 10 0 DDAEMN NC[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 ZINC000008037357 406775207 /nfs/dbraw/zinc/77/52/07/406775207.db2.gz QUUKYIGWCXNAPU-LBPRGKRZSA-N 0 1 311.384 1.951 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000075978198 406948499 /nfs/dbraw/zinc/94/84/99/406948499.db2.gz ZXPHKKYPHVYBGA-WBVHZDCISA-N 0 1 316.449 1.512 10 0 DDAEMN COC[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000103359826 407337615 /nfs/dbraw/zinc/33/76/15/407337615.db2.gz AZMAFDMTIDOVCN-CQSZACIVSA-N 0 1 305.422 1.968 10 0 DDAEMN CN1CCO[C@@H](CN[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111229663 407401785 /nfs/dbraw/zinc/40/17/85/407401785.db2.gz KPBDBQGKWNESRI-GXTWGEPZSA-N 0 1 323.824 1.366 10 0 DDAEMN CCOC(=O)[C@H]1C(=O)COC12CCN(Cc1ccccc1)CC2 ZINC000222269574 407553867 /nfs/dbraw/zinc/55/38/67/407553867.db2.gz BKDLLVICVUNNEG-MRXNPFEDSA-N 0 1 317.385 1.800 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000152033424 407549141 /nfs/dbraw/zinc/54/91/41/407549141.db2.gz DZVPIVPSUHZFSG-KRWDZBQOSA-N 0 1 321.465 1.350 10 0 DDAEMN Cc1cccc(NC[C@@H]2CCN(c3ncnc4nc[nH]c43)C2)n1 ZINC000171365399 407670237 /nfs/dbraw/zinc/67/02/37/407670237.db2.gz QACXNPNMFCUPKX-LBPRGKRZSA-N 0 1 309.377 1.995 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000186454783 407670805 /nfs/dbraw/zinc/67/08/05/407670805.db2.gz LZQMVHPWHLMLEV-ZIAGYGMSSA-N 0 1 307.394 1.351 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000262189598 407763023 /nfs/dbraw/zinc/76/30/23/407763023.db2.gz CDOPSPKYCQZODO-MRXNPFEDSA-N 0 1 315.373 1.251 10 0 DDAEMN CC[C@@H]1CN(C(=O)C2(CCOC)CCC2)CCN1C[C@@H](C)O ZINC000132434327 407784207 /nfs/dbraw/zinc/78/42/07/407784207.db2.gz FLYIOPHRUHJSDL-HUUCEWRRSA-N 0 1 312.454 1.497 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000262343462 407805447 /nfs/dbraw/zinc/80/54/47/407805447.db2.gz SYBXXVTVUUOLFD-CQSZACIVSA-N 0 1 322.405 1.607 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000262380674 407820210 /nfs/dbraw/zinc/82/02/10/407820210.db2.gz XTUZLJBEAVYLNX-NEPJUHHUSA-N 0 1 313.195 1.526 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)CCN1CCOC ZINC000117306856 407826724 /nfs/dbraw/zinc/82/67/24/407826724.db2.gz WWCDMRBMZNBUAG-MRXNPFEDSA-N 0 1 320.433 1.807 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2F)CCN1CCOC ZINC000117306896 407827234 /nfs/dbraw/zinc/82/72/34/407827234.db2.gz GZGSTIVMQJHFEB-HNNXBMFYSA-N 0 1 308.397 1.937 10 0 DDAEMN CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262953492 407984187 /nfs/dbraw/zinc/98/41/87/407984187.db2.gz JYXPOPGKGVYJMF-GMTAPVOTSA-N 0 1 324.343 1.732 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C)cc(C)n2)C1 ZINC000263047498 408011035 /nfs/dbraw/zinc/01/10/35/408011035.db2.gz MVICDJAEBPIYSE-UHFFFAOYSA-N 0 1 320.393 1.757 10 0 DDAEMN CCCOC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000119218214 408014876 /nfs/dbraw/zinc/01/48/76/408014876.db2.gz WROJKLDXTSDXHW-CQSZACIVSA-N 0 1 308.426 1.270 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cncc(C)c2)CCN1C[C@@H](C)O ZINC000182070512 408072311 /nfs/dbraw/zinc/07/23/11/408072311.db2.gz RBCVSVUCIQCDIF-GDBMZVCRSA-N 0 1 320.437 1.377 10 0 DDAEMN O=C(Cc1[nH]nc2ccccc21)N1CCCC[C@H]1c1nnc[nH]1 ZINC000182102005 408073297 /nfs/dbraw/zinc/07/32/97/408073297.db2.gz IZUUVEIMINUUCK-AWEZNQCLSA-N 0 1 310.361 1.977 10 0 DDAEMN CCn1cnnc1C1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000175207455 408076057 /nfs/dbraw/zinc/07/60/57/408076057.db2.gz RKSMNZFSOLWZFS-AWEZNQCLSA-N 0 1 305.426 1.487 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000263267618 408081781 /nfs/dbraw/zinc/08/17/81/408081781.db2.gz VROLMHPEWHUFFE-SECBINFHSA-N 0 1 321.358 1.451 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccc(Br)s1 ZINC000263273597 408084377 /nfs/dbraw/zinc/08/43/77/408084377.db2.gz XNXYKWCDQPJXQO-MRVPVSSYSA-N 0 1 307.213 1.443 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(F)ccc3O)CCO2)n[nH]1 ZINC000175258006 408089262 /nfs/dbraw/zinc/08/92/62/408089262.db2.gz AMAQVMFTSXGZDG-GFCCVEGCSA-N 0 1 306.297 1.172 10 0 DDAEMN COC(CN(C)C[C@H](c1cccs1)N1CCOCC1)OC ZINC000136762004 408122899 /nfs/dbraw/zinc/12/28/99/408122899.db2.gz URRXSDMOWUOLKW-CYBMUJFWSA-N 0 1 314.451 1.672 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CCC2CCC2)C1 ZINC000263473913 408148870 /nfs/dbraw/zinc/14/88/70/408148870.db2.gz IQADWNSNYILOPB-UHFFFAOYSA-N 0 1 318.439 1.034 10 0 DDAEMN C[C@@H](CCN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263487476 408153569 /nfs/dbraw/zinc/15/35/69/408153569.db2.gz HSKXBPTZFRXUEC-RDJZCZTQSA-N 0 1 320.433 1.897 10 0 DDAEMN Cc1ccn(C)c(=O)c1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000155472296 408170058 /nfs/dbraw/zinc/17/00/58/408170058.db2.gz WLFPWBZVTLMCOA-CYBMUJFWSA-N 0 1 304.394 1.396 10 0 DDAEMN C[C@H](C(=O)NCc1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000246218675 408182214 /nfs/dbraw/zinc/18/22/14/408182214.db2.gz QALLLYIDTFWSQW-KGLIPLIRSA-N 0 1 307.463 1.923 10 0 DDAEMN CSc1ccccc1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263581435 408183347 /nfs/dbraw/zinc/18/33/47/408183347.db2.gz XDWBBUCLVVLPPO-AWEZNQCLSA-N 0 1 324.446 1.626 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)COC(C)(C)C ZINC000246286226 408206311 /nfs/dbraw/zinc/20/63/11/408206311.db2.gz OFSOTLFAZVHROC-XGUBFFRZSA-N 0 1 313.438 1.969 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(=O)OC)c2cccnc2)CCN1C[C@H](C)O ZINC000246524163 408283909 /nfs/dbraw/zinc/28/39/09/408283909.db2.gz VEMTZKBSEWYESA-NUEKZKHPSA-N 0 1 321.421 1.073 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(CCOC)[C@@H](CC)C1 ZINC000183148884 408337107 /nfs/dbraw/zinc/33/71/07/408337107.db2.gz ZWTCPWYAKCHDHG-AWEZNQCLSA-N 0 1 321.421 1.805 10 0 DDAEMN COc1ccc([C@H](C)NCC(=O)NC2CCOCC2)cc1OC ZINC000170784537 162191953 /nfs/dbraw/zinc/19/19/53/162191953.db2.gz BUDVQNHLILMCIR-LBPRGKRZSA-N 0 1 322.405 1.650 10 0 DDAEMN COc1ccc(COC[C@H](O)CN2[C@@H](C)COC[C@@H]2C)cc1 ZINC000246923169 408367008 /nfs/dbraw/zinc/36/70/08/408367008.db2.gz INPPQVOVWWWXBV-OFQRWUPVSA-N 0 1 309.406 1.682 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)n[nH]1 ZINC000173679719 162355639 /nfs/dbraw/zinc/35/56/39/162355639.db2.gz QXHVZWJRMUYULX-MRXNPFEDSA-N 0 1 324.388 1.872 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)C(=O)NCCC(C)C)CCO2)n[nH]1 ZINC000247240022 408435029 /nfs/dbraw/zinc/43/50/29/408435029.db2.gz XUTUYAZAVFUBFM-YPMHNXCESA-N 0 1 309.414 1.037 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3c(F)cccc3F)CCO2)n[nH]1 ZINC000176951133 408480895 /nfs/dbraw/zinc/48/08/95/408480895.db2.gz CVWBLKQCSSJPSA-NSHDSACASA-N 0 1 323.303 1.997 10 0 DDAEMN CCOCCN1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@H]1C ZINC000247591009 408495670 /nfs/dbraw/zinc/49/56/70/408495670.db2.gz JPZNHXPPXKXTCR-CYBMUJFWSA-N 0 1 324.421 1.917 10 0 DDAEMN CCOCCN1CCN(c2ncccc2C(=O)OCC)C[C@@H]1C ZINC000184110600 408549005 /nfs/dbraw/zinc/54/90/05/408549005.db2.gz NFHYBZXOAJQQAH-AWEZNQCLSA-N 0 1 321.421 1.805 10 0 DDAEMN C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000177231284 408557187 /nfs/dbraw/zinc/55/71/87/408557187.db2.gz UQPFPXGHRCGGDI-ZBFHGGJFSA-N 0 1 300.406 1.487 10 0 DDAEMN Cc1cccc(S(=O)(=O)CCCN2CCN3CCC[C@@H]3C2)c1 ZINC000184209036 408572192 /nfs/dbraw/zinc/57/21/92/408572192.db2.gz RSTNJJUUJDEGIJ-MRXNPFEDSA-N 0 1 322.474 1.939 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3cccs3)CCO2)n[nH]1 ZINC000177430839 408615446 /nfs/dbraw/zinc/61/54/46/408615446.db2.gz NRQZZJOGPGAJEB-LLVKDONJSA-N 0 1 307.379 1.458 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cn4ccnc4s3)CCO2)n[nH]1 ZINC000188579522 163059559 /nfs/dbraw/zinc/05/95/59/163059559.db2.gz ALNMCYGMPRDOCF-VIFPVBQESA-N 0 1 318.362 1.036 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1CCC(=O)NCc1ccccc1Cl ZINC000189278412 163093153 /nfs/dbraw/zinc/09/31/53/163093153.db2.gz VAQFWCSRJBYUQE-GFCCVEGCSA-N 0 1 323.824 1.557 10 0 DDAEMN CNC(=O)[C@H](N[C@H]1CCN(c2ccccc2OC)C1=O)C(C)C ZINC000192735203 222134642 /nfs/dbraw/zinc/13/46/42/222134642.db2.gz VSJFXLJFSFPYEJ-SWLSCSKDSA-N 0 1 319.405 1.161 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000583617375 422200529 /nfs/dbraw/zinc/20/05/29/422200529.db2.gz CUYUMQVNXQWYGL-QGZVFWFLSA-N 0 1 324.388 1.474 10 0 DDAEMN CC[C@@H]1C[N@H+]([C@H]2CCCCN(CC(=O)[O-])C2=O)CCS1 ZINC000643874057 423389210 /nfs/dbraw/zinc/38/92/10/423389210.db2.gz NOQPOLKLLAPNCQ-NEPJUHHUSA-N 0 1 300.424 1.280 10 0 DDAEMN O=C([C@@H]1CCCN1c1nccs1)N1CCN2CCCC[C@@H]2C1 ZINC000105370712 275004664 /nfs/dbraw/zinc/00/46/64/275004664.db2.gz HRYSJORTLIXLGS-KGLIPLIRSA-N 0 1 320.462 1.809 10 0 DDAEMN O=C1Nc2ccccc2CC[C@H]1N1CC[C@@H](N2CCOCC2)C1 ZINC000248804275 275025855 /nfs/dbraw/zinc/02/58/55/275025855.db2.gz AZQJZRMZPXZFHX-NVXWUHKLSA-N 0 1 315.417 1.346 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2C[C@]2(C)C(C)C)C1 ZINC000263366753 279058988 /nfs/dbraw/zinc/05/89/88/279058988.db2.gz LQENHBGAHUAVCX-UXTNIJRTSA-N 0 1 311.426 1.658 10 0 DDAEMN C[C@H](CN1CC[C@@H](CNc2ccccn2)C1)CS(C)(=O)=O ZINC000246630172 279320389 /nfs/dbraw/zinc/32/03/89/279320389.db2.gz STLGPSFCXGADAH-KGLIPLIRSA-N 0 1 311.451 1.496 10 0 DDAEMN CC[C@@H]1CN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CCN1CCOC ZINC000247473405 282055393 /nfs/dbraw/zinc/05/53/93/282055393.db2.gz SOEHNDVKVZHQMI-OAGGEKHMSA-N 0 1 312.454 1.903 10 0 DDAEMN CCNS(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000172451336 298249623 /nfs/dbraw/zinc/24/96/23/298249623.db2.gz MUFYDEMOTKTFLS-OAHLLOKOSA-N 0 1 311.451 1.485 10 0 DDAEMN Cc1cc(F)cc(C)c1S(=O)(=O)N1CCN[C@H](C)[C@H]1C ZINC000262739228 301301544 /nfs/dbraw/zinc/30/15/44/301301544.db2.gz BGLNBKUMURYSBP-VXGBXAGGSA-N 0 1 300.399 1.813 10 0 DDAEMN CC[C@@H]1C[C@@H](CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCO1 ZINC000378616544 302343837 /nfs/dbraw/zinc/34/38/37/302343837.db2.gz CJQWNASCDDVHOO-MJBXVCDLSA-N 0 1 322.409 1.608 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(Br)cn1 ZINC000562311572 307933936 /nfs/dbraw/zinc/93/39/36/307933936.db2.gz OURFMFPBOYJKKW-ZYHUDNBSSA-N 0 1 314.227 1.825 10 0 DDAEMN O=C1NCC[C@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000676234836 486156807 /nfs/dbraw/zinc/15/68/07/486156807.db2.gz PWGNYFHAPAAYGL-SECBINFHSA-N 0 1 313.151 1.156 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000122210705 696719591 /nfs/dbraw/zinc/71/95/91/696719591.db2.gz NTSIZEBRJALTGC-LLVKDONJSA-N 0 1 310.785 1.274 10 0 DDAEMN O=C(N[C@@H]1COc2ccccc21)N1CCN(CC2CC2)CC1 ZINC000060586917 696311658 /nfs/dbraw/zinc/31/16/58/696311658.db2.gz AINCEKIVYNAFQY-OAHLLOKOSA-N 0 1 301.390 1.857 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000183730846 697492319 /nfs/dbraw/zinc/49/23/19/697492319.db2.gz FWZFCUMOBHUZGW-VWYCJHECSA-N 0 1 324.343 1.357 10 0 DDAEMN CO[C@H](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190653332 697594649 /nfs/dbraw/zinc/59/46/49/697594649.db2.gz XJDTWICNUISKAY-ZBFHGGJFSA-N 0 1 305.422 1.787 10 0 DDAEMN CCOC1CC(CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)C1 ZINC000191914138 697616657 /nfs/dbraw/zinc/61/66/57/697616657.db2.gz HIEMDPZPQOUGQZ-BPCQOVAHSA-N 0 1 308.382 1.218 10 0 DDAEMN C[N@@H+]1CCO[C@@H](C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000219553331 697754563 /nfs/dbraw/zinc/75/45/63/697754563.db2.gz MARSZAABYKJFAJ-UONOGXRCSA-N 0 1 322.361 1.087 10 0 DDAEMN C[N@H+]1CCO[C@@H](C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000219553331 697754564 /nfs/dbraw/zinc/75/45/64/697754564.db2.gz MARSZAABYKJFAJ-UONOGXRCSA-N 0 1 322.361 1.087 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@@H](C(=O)N(CCO)Cc1ccccc1)C2 ZINC000220573489 697754973 /nfs/dbraw/zinc/75/49/73/697754973.db2.gz OBICMSKADJJSBL-OAHLLOKOSA-N 0 1 313.401 1.844 10 0 DDAEMN COc1ccc(OC)c(NC(=O)N[C@@H]2CN3CCC2CC3)c1 ZINC000222586236 697757506 /nfs/dbraw/zinc/75/75/06/697757506.db2.gz CPFJLOKSJUUKGP-CQSZACIVSA-N 0 1 305.378 1.920 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@H]2CCCOC2)C[C@H]1CC ZINC000249096706 698386872 /nfs/dbraw/zinc/38/68/72/698386872.db2.gz MFFPCLJLMVCNBH-HZPDHXFCSA-N 0 1 312.454 1.762 10 0 DDAEMN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000262020668 698450935 /nfs/dbraw/zinc/45/09/35/698450935.db2.gz NCSHYUCZNGSBPO-KWQFWETISA-N 0 1 306.790 1.885 10 0 DDAEMN CC(=O)c1c(F)cccc1N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262124844 698455752 /nfs/dbraw/zinc/45/57/52/698455752.db2.gz MVQBVLTYMXATII-LBPRGKRZSA-N 0 1 324.352 1.250 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262239832 698460739 /nfs/dbraw/zinc/46/07/39/698460739.db2.gz HQNFNPUZTRTUJY-WDEREUQCSA-N 0 1 307.177 1.117 10 0 DDAEMN CO[C@@H]1CN(Cc2ccnn2C(C)C)C[C@H]1c1cn(C)nn1 ZINC000888078532 709210212 /nfs/dbraw/zinc/21/02/12/709210212.db2.gz ZQFXRXPXNVZDPP-DZGCQCFKSA-N 0 1 304.398 1.207 10 0 DDAEMN Cc1ccc(CO[C@H](C)C(=O)N2CCC[C@@H]2c2nn[nH]n2)cc1 ZINC000900390059 709569717 /nfs/dbraw/zinc/56/97/17/709569717.db2.gz ZVUOLOWWGNLPFQ-TZMCWYRMSA-N 0 1 315.377 1.777 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000900870236 709799763 /nfs/dbraw/zinc/79/97/63/709799763.db2.gz KAVIVSAAXAPDRM-UKPHBRMFSA-N 0 1 306.406 1.163 10 0 DDAEMN CCN[C@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944460 192345369 /nfs/dbraw/zinc/34/53/69/192345369.db2.gz VWVLJQWGNKHWQB-WFASDCNBSA-N 0 1 315.435 1.796 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1cccc2cnccc21 ZINC000087545346 185227834 /nfs/dbraw/zinc/22/78/34/185227834.db2.gz UGICFDGJAYRRRS-UHFFFAOYSA-N 0 1 302.359 1.479 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@@H](C)c1ccccc1OC)C(C)C ZINC000183676068 539243029 /nfs/dbraw/zinc/24/30/29/539243029.db2.gz FMQORIGGJKGTPO-BLLLJJGKSA-N 0 1 321.421 1.233 10 0 DDAEMN CCOC1CCN(S(=O)(=O)c2ccc(CNC)o2)CC1 ZINC000088544030 185256824 /nfs/dbraw/zinc/25/68/24/185256824.db2.gz HYVCQKLRYPZALR-UHFFFAOYSA-N 0 1 302.396 1.189 10 0 DDAEMN COCCCS(=O)(=O)[C@@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000081985887 192349080 /nfs/dbraw/zinc/34/90/80/192349080.db2.gz HBCDPQAVZVLMAW-FZMZJTMJSA-N 0 1 301.408 1.535 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@H]1C ZINC000248654380 539272343 /nfs/dbraw/zinc/27/23/43/539272343.db2.gz VVUPQFQACVYLOT-IJEWVQPXSA-N 0 1 317.433 1.423 10 0 DDAEMN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CCOC ZINC000092388663 185315282 /nfs/dbraw/zinc/31/52/82/185315282.db2.gz JRCXZBAELKCJKX-LSDHHAIUSA-N 0 1 313.419 1.332 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000092625692 185329914 /nfs/dbraw/zinc/32/99/14/185329914.db2.gz IEHZSYYDHRYOHM-LLVKDONJSA-N 0 1 312.391 1.100 10 0 DDAEMN O=C(NCc1cc2c(s1)CCC2)[C@H]1Cc2nc[nH]c2CN1 ZINC000092781201 185340396 /nfs/dbraw/zinc/34/03/96/185340396.db2.gz DBRQQUHEBWFIJP-GFCCVEGCSA-N 0 1 302.403 1.291 10 0 DDAEMN CCc1nc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)n[nH]1 ZINC000181691486 199338939 /nfs/dbraw/zinc/33/89/39/199338939.db2.gz MMFXCQINOZQHQA-ZDUSSCGKSA-N 0 1 303.414 1.488 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2cccnc2)C1 ZINC000616634533 362764153 /nfs/dbraw/zinc/76/41/53/362764153.db2.gz UWKAJGPHDHOJKO-AWEZNQCLSA-N 0 1 306.410 1.553 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2N)n[nH]1 ZINC000080511101 192163866 /nfs/dbraw/zinc/16/38/66/192163866.db2.gz BXSGRMFTEUXHTR-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN Cc1nc(CN(C)C(=O)c2ccc(Br)cn2)n[nH]1 ZINC000080542268 192166044 /nfs/dbraw/zinc/16/60/44/192166044.db2.gz OLJCKBJJFHDGSK-UHFFFAOYSA-N 0 1 310.155 1.543 10 0 DDAEMN COC(=O)[C@H](CC(C)C)NC(=O)Cc1csc([C@@H](C)N)n1 ZINC000071695927 191008141 /nfs/dbraw/zinc/00/81/41/191008141.db2.gz ROVSJAFYKWBJAD-KOLCDFICSA-N 0 1 313.423 1.409 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1ccccc1Br ZINC000149075577 186047303 /nfs/dbraw/zinc/04/73/03/186047303.db2.gz KFVNSZAQUYSMNH-KCJUWKMLSA-N 0 1 301.184 1.600 10 0 DDAEMN COC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1)C(C)C ZINC000181887031 186215247 /nfs/dbraw/zinc/21/52/47/186215247.db2.gz NBDYYFSLHUIQDF-SNVBAGLBSA-N 0 1 321.337 1.692 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccccn2)C[C@@H]1CC ZINC000172113150 198041841 /nfs/dbraw/zinc/04/18/41/198041841.db2.gz FSMNKQKXHVFHHF-INIZCTEOSA-N 0 1 320.437 1.724 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2cc(C)no2)C[C@@H]1CC ZINC000172129852 198043364 /nfs/dbraw/zinc/04/33/64/198043364.db2.gz VJPILLYTJOVSKF-AWEZNQCLSA-N 0 1 324.425 1.625 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2ccccc2)CCN1CCOC ZINC000172275520 198069553 /nfs/dbraw/zinc/06/95/53/198069553.db2.gz VWQTWEVHTYYTGF-QGZVFWFLSA-N 0 1 319.449 1.981 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccnc(F)c3)CCO2)n[nH]1 ZINC000173553875 198226483 /nfs/dbraw/zinc/22/64/83/198226483.db2.gz PGAYYLNUHKBGSF-SNVBAGLBSA-N 0 1 305.313 1.115 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)n[nH]1 ZINC000173567149 198227659 /nfs/dbraw/zinc/22/76/59/198227659.db2.gz JVNFENVBLZHUON-CQSZACIVSA-N 0 1 314.389 1.900 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(F)cc2F)CCN1C[C@@H](C)O ZINC000174639962 198363538 /nfs/dbraw/zinc/36/35/38/198363538.db2.gz CJBDIJFRIFFBRM-DGCLKSJQSA-N 0 1 312.360 1.882 10 0 DDAEMN COC(=O)c1c(CN2CCCC2)n(C)n(-c2ccccc2)c1=O ZINC000113295354 353976987 /nfs/dbraw/zinc/97/69/87/353976987.db2.gz UDTDRFZCCNHENW-UHFFFAOYSA-N 0 1 315.373 1.558 10 0 DDAEMN COC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000115751940 353987867 /nfs/dbraw/zinc/98/78/67/353987867.db2.gz DPIUZIHAKQRCII-WFASDCNBSA-N 0 1 318.373 1.934 10 0 DDAEMN Cc1cc(=O)[nH]c([C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248762342 354371316 /nfs/dbraw/zinc/37/13/16/354371316.db2.gz QXMGBDOGJBGHTG-UONOGXRCSA-N 0 1 322.453 1.576 10 0 DDAEMN COc1c(C)cc(S(=O)(=O)NCCN(C)C)c(C)c1C ZINC000074935619 191390119 /nfs/dbraw/zinc/39/01/19/191390119.db2.gz XPPWPBAQCHVMDO-UHFFFAOYSA-N 0 1 300.424 1.460 10 0 DDAEMN COc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C)CC1 ZINC000074861073 191374521 /nfs/dbraw/zinc/37/45/21/191374521.db2.gz XAOYXFPUHFBPAV-UHFFFAOYSA-N 0 1 312.435 1.685 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000080868690 192196279 /nfs/dbraw/zinc/19/62/79/192196279.db2.gz BHOZZRKZWSVNFN-SSDOTTSWSA-N 0 1 316.383 1.758 10 0 DDAEMN CCC[C@H](C(=O)Nc1cccc(CN2CCOCC2)n1)N(C)C ZINC000179504231 199046409 /nfs/dbraw/zinc/04/64/09/199046409.db2.gz XGHXLHUJISWXET-OAHLLOKOSA-N 0 1 320.437 1.583 10 0 DDAEMN O[C@@H](CN1CCCN(c2cccnn2)CC1)CC(F)(F)F ZINC000189133848 200353641 /nfs/dbraw/zinc/35/36/41/200353641.db2.gz GXQNAAAUTRWCMY-LLVKDONJSA-N 0 1 304.316 1.302 10 0 DDAEMN [NH3+]C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C1CCCC1 ZINC000194770114 201286166 /nfs/dbraw/zinc/28/61/66/201286166.db2.gz WVKYOUVNNHHAEP-GFCCVEGCSA-N 0 1 322.352 1.900 10 0 DDAEMN [NH3+]Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000090931269 192952261 /nfs/dbraw/zinc/95/22/61/192952261.db2.gz GMHJVCZRQHDJLB-JTQLQIEISA-N 0 1 305.359 1.028 10 0 DDAEMN CCNCc1cncc(Oc2cccc(S(C)(=O)=O)c2)n1 ZINC000091434990 193055021 /nfs/dbraw/zinc/05/50/21/193055021.db2.gz UPUGHSKUIQCYDI-UHFFFAOYSA-N 0 1 307.375 1.782 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000093174118 193210514 /nfs/dbraw/zinc/21/05/14/193210514.db2.gz GRSMVBAZYYKRKG-GDBMZVCRSA-N 0 1 303.406 1.403 10 0 DDAEMN C[C@@H](NCC(C)(C)S(C)(=O)=O)C(=O)N1CCCCCC1 ZINC000093519878 193262959 /nfs/dbraw/zinc/26/29/59/193262959.db2.gz HYATWVLIYQFIFX-GFCCVEGCSA-N 0 1 304.456 1.190 10 0 DDAEMN CCOC(=O)[C@]1(NC2CC2)CC[C@H](Sc2nnc(C)[nH]2)C1 ZINC000093851941 193318557 /nfs/dbraw/zinc/31/85/57/193318557.db2.gz KCCLAFGKBIHHBY-FZMZJTMJSA-N 0 1 310.423 1.812 10 0 DDAEMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094359214 193364915 /nfs/dbraw/zinc/36/49/15/193364915.db2.gz MPRQDMFAOUNXJW-LBPRGKRZSA-N 0 1 315.414 1.479 10 0 DDAEMN COc1ccc(C(=O)Nc2nc3c(s2)CNCC3)cc1O ZINC000094066929 193343332 /nfs/dbraw/zinc/34/33/32/193343332.db2.gz JUFPEDUFQJUQKH-UHFFFAOYSA-N 0 1 305.359 1.755 10 0 DDAEMN CCCNCc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644055 193389435 /nfs/dbraw/zinc/38/94/35/193389435.db2.gz NXVSMWKUYYKKPY-VXGBXAGGSA-N 0 1 300.428 1.306 10 0 DDAEMN C[C@H]1CN(c2nc(Br)cn3ccnc23)CCN1C ZINC000094491063 193373861 /nfs/dbraw/zinc/37/38/61/193373861.db2.gz YWKNTVBLXSQICI-VIFPVBQESA-N 0 1 310.199 1.632 10 0 DDAEMN Nc1ccc2c(cccc2S(=O)(=O)NCc2nnc[nH]2)c1 ZINC000094787638 193398644 /nfs/dbraw/zinc/39/86/44/193398644.db2.gz PMIGAAQOYMADOY-UHFFFAOYSA-N 0 1 303.347 1.019 10 0 DDAEMN Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCO2)n[nH]1 ZINC000012316193 181748956 /nfs/dbraw/zinc/74/89/56/181748956.db2.gz YXXPEYHIYYUSHS-UHFFFAOYSA-N 0 1 311.345 1.894 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)c1ccc(Br)c(N)c1 ZINC000040335897 183054884 /nfs/dbraw/zinc/05/48/84/183054884.db2.gz HQGVWRXWSRWYTL-UHFFFAOYSA-N 0 1 309.167 1.993 10 0 DDAEMN Nc1cc(F)ccc1S(=O)(=O)NCCN1CCCCCC1 ZINC000040767235 183131846 /nfs/dbraw/zinc/13/18/46/183131846.db2.gz JRZBWDWVFASICL-UHFFFAOYSA-N 0 1 315.414 1.562 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2ccc(F)cc2Cl)cn1 ZINC000041071223 183162619 /nfs/dbraw/zinc/16/26/19/183162619.db2.gz CMRKKZHBKOWXPY-UHFFFAOYSA-N 0 1 317.733 1.356 10 0 DDAEMN CC(C)[N@@H+](C)CCCCNC(=O)NC(=O)CCCC(=O)[O-] ZINC000041681661 183216328 /nfs/dbraw/zinc/21/63/28/183216328.db2.gz NDMFHSPQPWSODH-UHFFFAOYSA-N 0 1 301.387 1.188 10 0 DDAEMN CCN1C(=O)C[C@@H](NCc2ccc(Br)cc2)C1=O ZINC000042298672 183250789 /nfs/dbraw/zinc/25/07/89/183250789.db2.gz GOBIBUSCLCTAGH-LLVKDONJSA-N 0 1 311.179 1.686 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(c2ccnc(Cc3ccccc3)n2)C1 ZINC000284427403 218022174 /nfs/dbraw/zinc/02/21/74/218022174.db2.gz DKIHXILVXNLPJZ-QGZVFWFLSA-N 0 1 322.372 1.283 10 0 DDAEMN Cc1cc(N2CC[C@](O)(c3c[nH]nn3)C2)c2cccc(F)c2n1 ZINC000284498084 218052835 /nfs/dbraw/zinc/05/28/35/218052835.db2.gz KDJIDPXMZANNNM-MRXNPFEDSA-N 0 1 313.336 1.898 10 0 DDAEMN Cc1cc(N2CC[C@](O)(c3cn[nH]n3)C2)c2cc(F)ccc2n1 ZINC000284668809 218125216 /nfs/dbraw/zinc/12/52/16/218125216.db2.gz WIQUTGJWWUAJOW-MRXNPFEDSA-N 0 1 313.336 1.898 10 0 DDAEMN Cc1ccc(C(N)=O)cc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105024542 194065749 /nfs/dbraw/zinc/06/57/49/194065749.db2.gz MNVZZJLMCPQGGY-CQSZACIVSA-N 0 1 316.405 1.796 10 0 DDAEMN COc1ccc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105821646 194137709 /nfs/dbraw/zinc/13/77/09/194137709.db2.gz VYFHQXOWURLUQI-ZIAGYGMSSA-N 0 1 321.421 1.021 10 0 DDAEMN CCOC(=O)CCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820613 194135823 /nfs/dbraw/zinc/13/58/23/194135823.db2.gz VDVORTHZWGKQJG-QGZVFWFLSA-N 0 1 320.433 1.681 10 0 DDAEMN COC(=O)c1cccc(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000105897984 194163530 /nfs/dbraw/zinc/16/35/30/194163530.db2.gz UPKPDLDLNXHTIB-OAHLLOKOSA-N 0 1 300.362 1.902 10 0 DDAEMN Cc1cccc(CN(C)S(=O)(=O)c2ccnc(NN)c2)c1 ZINC000048871591 183692720 /nfs/dbraw/zinc/69/27/20/183692720.db2.gz AWPHCYNPRLCGAL-UHFFFAOYSA-N 0 1 306.391 1.496 10 0 DDAEMN NCc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000111095869 194390765 /nfs/dbraw/zinc/39/07/65/194390765.db2.gz KTDZHAGTRSQKJQ-HBNTYKKESA-N 0 1 300.449 1.921 10 0 DDAEMN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752814 184252512 /nfs/dbraw/zinc/25/25/12/184252512.db2.gz JHYRCHILGUUUDA-YIYPIFLZSA-N 0 1 317.451 1.775 10 0 DDAEMN CN(CCC(N)=S)C(=O)CN1CCCc2ccccc2C1 ZINC000062944676 184262041 /nfs/dbraw/zinc/26/20/41/184262041.db2.gz UOOBGJMEHKKAJY-UHFFFAOYSA-N 0 1 305.447 1.569 10 0 DDAEMN NC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N)cc1 ZINC000063209135 184278472 /nfs/dbraw/zinc/27/84/72/184278472.db2.gz MIFGCNPSKYSNPX-UHFFFAOYSA-N 0 1 309.322 1.308 10 0 DDAEMN [NH3+][C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000063213872 184278732 /nfs/dbraw/zinc/27/87/32/184278732.db2.gz IXQWRDUAACVYIF-NEPJUHHUSA-N 0 1 304.362 1.903 10 0 DDAEMN Nc1ccc(F)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062975757 184264367 /nfs/dbraw/zinc/26/43/67/184264367.db2.gz AQNXAKUNOFRSFB-LBPRGKRZSA-N 0 1 313.398 1.267 10 0 DDAEMN O=C([O-])c1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000062985390 184264714 /nfs/dbraw/zinc/26/47/14/184264714.db2.gz BSOAIFYQKWICIP-LBPRGKRZSA-N 0 1 310.781 1.949 10 0 DDAEMN NC(=O)c1nc(C(=O)N2CCN(C3CCCCC3)CC2)cs1 ZINC000065199473 184314211 /nfs/dbraw/zinc/31/42/11/184314211.db2.gz ODERLRWXFHHUJP-UHFFFAOYSA-N 0 1 322.434 1.333 10 0 DDAEMN CCCCNC(=O)c1ccc(NC(=O)CNCCOC)cc1 ZINC000066224574 184397828 /nfs/dbraw/zinc/39/78/28/184397828.db2.gz KOFLZJFTDXDZEQ-UHFFFAOYSA-N 0 1 307.394 1.391 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccncc2)C1)N1CCCC1 ZINC000247755372 257118186 /nfs/dbraw/zinc/11/81/86/257118186.db2.gz DEIQGKZNQSIHGM-IKGGRYGDSA-N 0 1 315.417 1.683 10 0 DDAEMN CN(C(=O)CN1CCC[C@H](Cn2cncn2)C1)C1CCCCC1 ZINC000105883549 407356726 /nfs/dbraw/zinc/35/67/26/407356726.db2.gz RIPIFSSHGFSTON-HNNXBMFYSA-N 0 1 319.453 1.781 10 0 DDAEMN O=C(NC1CCC2(CC1)OCCO2)N1CCN2CCCC[C@@H]2C1 ZINC000105120654 407352807 /nfs/dbraw/zinc/35/28/07/407352807.db2.gz VIEXWLJPRYUYGD-OAHLLOKOSA-N 0 1 323.437 1.552 10 0 DDAEMN CCCCC1CCC(NC(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000178622075 407513796 /nfs/dbraw/zinc/51/37/96/407513796.db2.gz YTEOCSDUBMWUGQ-JXQTWKCFSA-N 0 1 318.483 1.614 10 0 DDAEMN CCC[C@H](C(=O)N[C@H](C)C(=O)NCc1ccccc1)N(C)C ZINC000178652427 407531222 /nfs/dbraw/zinc/53/12/22/407531222.db2.gz LDKAFBARETVJLS-UKRRQHHQSA-N 0 1 305.422 1.538 10 0 DDAEMN CCN(CC(=O)N[C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152723818 407678363 /nfs/dbraw/zinc/67/83/63/407678363.db2.gz PBHSROZPMGSRFV-CYBMUJFWSA-N 0 1 303.410 1.046 10 0 DDAEMN Cn1cc([C@@H]2CCN(CCN3C(=O)c4ccccc4C3=O)C2)cn1 ZINC000116324016 407746940 /nfs/dbraw/zinc/74/69/40/407746940.db2.gz DSAOKOYQQCKRMK-CYBMUJFWSA-N 0 1 324.384 1.506 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1cc(Br)ccc1F ZINC000262197976 407761670 /nfs/dbraw/zinc/76/16/70/407761670.db2.gz CVHAYJWIXHJTPH-NSHDSACASA-N 0 1 319.174 1.221 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000262214413 407767280 /nfs/dbraw/zinc/76/72/80/407767280.db2.gz FDXFDQDPXJRHLI-CQSZACIVSA-N 0 1 319.336 1.603 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518235 407799491 /nfs/dbraw/zinc/79/94/91/407799491.db2.gz QZOMHBJGGFYHEL-CYBMUJFWSA-N 0 1 315.425 1.982 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179518235 407799498 /nfs/dbraw/zinc/79/94/98/407799498.db2.gz QZOMHBJGGFYHEL-CYBMUJFWSA-N 0 1 315.425 1.982 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CCCC1 ZINC000186957405 407803254 /nfs/dbraw/zinc/80/32/54/407803254.db2.gz XOLVQHSKOOLIFC-INIZCTEOSA-N 0 1 304.434 1.828 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000262363040 407812793 /nfs/dbraw/zinc/81/27/93/407812793.db2.gz VUILJHGGBHHUMM-CQSZACIVSA-N 0 1 315.373 1.117 10 0 DDAEMN COc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1O ZINC000180109822 407855998 /nfs/dbraw/zinc/85/59/98/407855998.db2.gz YCOHJDFPTKYTAR-CQSZACIVSA-N 0 1 304.350 1.401 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000262593357 407877121 /nfs/dbraw/zinc/87/71/21/407877121.db2.gz WPXUHIWLGUERME-LBPRGKRZSA-N 0 1 318.402 1.848 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000173882624 407901067 /nfs/dbraw/zinc/90/10/67/407901067.db2.gz OAWRDYCIBRAJFK-YGRLFVJLSA-N 0 1 318.389 1.972 10 0 DDAEMN CCN1CCO[C@H](CNCc2cn3cc(Cl)ccc3n2)C1 ZINC000134605538 407914618 /nfs/dbraw/zinc/91/46/18/407914618.db2.gz JHAFZFFYTYKIRX-CQSZACIVSA-N 0 1 308.813 1.798 10 0 DDAEMN CCOCCN1CCN(c2ccc(C(=O)OCC)cn2)C[C@@H]1C ZINC000174735606 407986221 /nfs/dbraw/zinc/98/62/21/407986221.db2.gz JDXUUGRJEDQBPL-AWEZNQCLSA-N 0 1 321.421 1.805 10 0 DDAEMN Cc1nc([C@@H]2CN(CCCCC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000181923576 408052482 /nfs/dbraw/zinc/05/24/82/408052482.db2.gz USGXQQYRGCUROS-ZDUSSCGKSA-N 0 1 324.425 1.998 10 0 DDAEMN COC(=O)c1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000119459177 408072427 /nfs/dbraw/zinc/07/24/27/408072427.db2.gz KIOIFTFUHQKWLN-LLVKDONJSA-N 0 1 322.390 1.535 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246146914 408154070 /nfs/dbraw/zinc/15/40/70/408154070.db2.gz YSNQRCCXCNBWGW-UONOGXRCSA-N 0 1 319.453 1.707 10 0 DDAEMN Cc1noc(Cl)c1CC(=O)Nc1nc(SCCO)n[nH]1 ZINC000155347492 408155568 /nfs/dbraw/zinc/15/55/68/408155568.db2.gz XEGPXFCVRGRDER-UHFFFAOYSA-N 0 1 317.758 1.020 10 0 DDAEMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000246218963 408182655 /nfs/dbraw/zinc/18/26/55/408182655.db2.gz QBWNRUQGYKZQJS-DLBZAZTESA-N 0 1 301.434 1.986 10 0 DDAEMN CCc1ccc(CC[N@@H+]2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])cc1 ZINC000263581813 408183837 /nfs/dbraw/zinc/18/38/37/408183837.db2.gz XRURXSBUCZCZGC-OAHLLOKOSA-N 0 1 314.389 1.660 10 0 DDAEMN CCc1ccc(CC[N@H+]2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])cc1 ZINC000263581813 408183840 /nfs/dbraw/zinc/18/38/40/408183840.db2.gz XRURXSBUCZCZGC-OAHLLOKOSA-N 0 1 314.389 1.660 10 0 DDAEMN COc1ccsc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000122266571 408273594 /nfs/dbraw/zinc/27/35/94/408273594.db2.gz GMAYLZLYTIUGMU-MNOVXSKESA-N 0 1 318.464 1.764 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000173461158 162341093 /nfs/dbraw/zinc/34/10/93/162341093.db2.gz QAUHCWPCKLUDHK-HZPDHXFCSA-N 0 1 313.486 1.268 10 0 DDAEMN CCc1ccc(CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173548587 162347907 /nfs/dbraw/zinc/34/79/07/162347907.db2.gz PAOGHXZHAWKDRD-OAHLLOKOSA-N 0 1 314.389 1.818 10 0 DDAEMN COC(=O)c1occc1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173655142 162353093 /nfs/dbraw/zinc/35/30/93/162353093.db2.gz RKVGWRFCVLPPNQ-LLVKDONJSA-N 0 1 306.322 1.066 10 0 DDAEMN CCC[C@@H](C)CS(=O)(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173735241 162360338 /nfs/dbraw/zinc/36/03/38/162360338.db2.gz HSXQAXSCKLRSAC-PWSUYJOCSA-N 0 1 316.427 1.252 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(Cl)cc3O)CCO2)n[nH]1 ZINC000173755310 162362094 /nfs/dbraw/zinc/36/20/94/162362094.db2.gz YQCIUCQJTYMJBI-GFCCVEGCSA-N 0 1 322.752 1.686 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCc2ccccn2)CCN1C[C@H](C)O ZINC000247010707 408388389 /nfs/dbraw/zinc/38/83/89/408388389.db2.gz WFOQNAVDWCSTGZ-RDJZCZTQSA-N 0 1 319.449 1.708 10 0 DDAEMN O[C@@H](CN1CC[C@H](N2CCOCC2)C1)c1ccc(F)cc1F ZINC000173945251 162380873 /nfs/dbraw/zinc/38/08/73/162380873.db2.gz JCTBGLISPTWZRS-BBRMVZONSA-N 0 1 312.360 1.405 10 0 DDAEMN CCCCc1noc([C@H](C)N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000247203568 408427864 /nfs/dbraw/zinc/42/78/64/408427864.db2.gz PDTRDJNEFLFPCT-IHRRRGAJSA-N 0 1 310.442 1.860 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1F ZINC000247224326 408432868 /nfs/dbraw/zinc/43/28/68/408432868.db2.gz MKVKLMPVJYUDBE-JSGCOSHPSA-N 0 1 312.410 1.824 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2nc(C)cs2)CCN1C[C@H](C)O ZINC000247692225 408503848 /nfs/dbraw/zinc/50/38/48/408503848.db2.gz WCBNDGLFKIPEPW-RYUDHWBXSA-N 0 1 312.439 1.760 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000247700607 408504327 /nfs/dbraw/zinc/50/43/27/408504327.db2.gz XTOOKNQAGIQRSG-RDJZCZTQSA-N 0 1 319.449 1.982 10 0 DDAEMN COC(=O)c1coc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000177215269 408554160 /nfs/dbraw/zinc/55/41/60/408554160.db2.gz QPSGUVAXKYDWLR-DOMZBBRYSA-N 0 1 308.378 1.219 10 0 DDAEMN c1[nH]nnc1SCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000177368219 408591181 /nfs/dbraw/zinc/59/11/81/408591181.db2.gz FTMULTOIILEDOA-UHFFFAOYSA-N 0 1 303.303 1.876 10 0 DDAEMN CC[C@H]1CN(C(=O)C(C)(C)CCOC)CCN1C[C@@H](C)O ZINC000185239037 408785597 /nfs/dbraw/zinc/78/55/97/408785597.db2.gz GLMCQRODKGTFEG-KGLIPLIRSA-N 0 1 300.443 1.353 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000252480730 408795573 /nfs/dbraw/zinc/79/55/73/408795573.db2.gz FQCZHPNOJBERSK-XJKSGUPXSA-N 0 1 323.412 1.812 10 0 DDAEMN CC[C@@H](COC)NC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000163215134 408768419 /nfs/dbraw/zinc/76/84/19/408768419.db2.gz CPCOVAXDOOHGTK-UONOGXRCSA-N 0 1 301.431 1.164 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccc(Cl)s1 ZINC000311907626 409794665 /nfs/dbraw/zinc/79/46/65/409794665.db2.gz GVQMMCYDFUJRLL-IUCAKERBSA-N 0 1 324.855 1.370 10 0 DDAEMN CCNC(=O)c1ccc(NC[C@@H](c2cnn(C)c2)N(C)C)nc1 ZINC000301301324 410695395 /nfs/dbraw/zinc/69/53/95/410695395.db2.gz VBQWMEJEFUXNHX-AWEZNQCLSA-N 0 1 316.409 1.280 10 0 DDAEMN CCN(C)C[C@@H]1CCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000301435248 410719955 /nfs/dbraw/zinc/71/99/55/410719955.db2.gz KFJGKKIBFSZYBR-LBPRGKRZSA-N 0 1 307.419 1.409 10 0 DDAEMN C[C@@H](N[C@@H](C)c1cccs1)C(=O)N(C)CC(=O)NC1CC1 ZINC000193222736 418529849 /nfs/dbraw/zinc/52/98/49/418529849.db2.gz QRMDGVNORXXTRS-WDEREUQCSA-N 0 1 309.435 1.524 10 0 DDAEMN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000190733244 222087888 /nfs/dbraw/zinc/08/78/88/222087888.db2.gz PKQDEFNHPAUWJD-MRXNPFEDSA-N 0 1 314.345 1.639 10 0 DDAEMN CN1CCO[C@@H](CNCc2ccsc2Br)C1 ZINC000388503338 418746760 /nfs/dbraw/zinc/74/67/60/418746760.db2.gz NFJUZRFUUKKRSL-JTQLQIEISA-N 0 1 305.241 1.931 10 0 DDAEMN Cn1[n-]nnc1=N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390888953 418756113 /nfs/dbraw/zinc/75/61/13/418756113.db2.gz NDDHUCDAZDSHDA-CQSZACIVSA-N 0 1 300.410 1.345 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCF)[N@@H+]1Cc1ccccc1 ZINC000630662533 422249190 /nfs/dbraw/zinc/24/91/90/422249190.db2.gz FBXGALUVACAPHM-KGLIPLIRSA-N 0 1 308.353 1.580 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCF)[N@H+]1Cc1ccccc1 ZINC000630662533 422249194 /nfs/dbraw/zinc/24/91/94/422249194.db2.gz FBXGALUVACAPHM-KGLIPLIRSA-N 0 1 308.353 1.580 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@@H](c2c[nH]nn2)CC1 ZINC000616600533 422517874 /nfs/dbraw/zinc/51/78/74/422517874.db2.gz CWYGIOGPDDKEGQ-GFCCVEGCSA-N 0 1 306.391 1.763 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@@H](c2cnn[nH]2)CC1 ZINC000616600533 422517879 /nfs/dbraw/zinc/51/78/79/422517879.db2.gz CWYGIOGPDDKEGQ-GFCCVEGCSA-N 0 1 306.391 1.763 10 0 DDAEMN O=C1NCC[C@H]1N[C@@H]1CCc2sc(Br)cc21 ZINC000658052453 424585104 /nfs/dbraw/zinc/58/51/04/424585104.db2.gz KZTZVJFGMKQHAT-HTQZYQBOSA-N 0 1 301.209 1.976 10 0 DDAEMN CCOCCN1CCN(C(=O)c2cccc3c[nH]nc32)C[C@H]1C ZINC000117274869 276321845 /nfs/dbraw/zinc/32/18/45/276321845.db2.gz JVMFVAWCVZORIT-CYBMUJFWSA-N 0 1 316.405 1.746 10 0 DDAEMN CN1C[C@@]2(CCCN(c3nc(N)nc4c3CCCC4)C2)OC1=O ZINC000095392456 277201275 /nfs/dbraw/zinc/20/12/75/277201275.db2.gz FORRROUJZBIVPS-MRXNPFEDSA-N 0 1 317.393 1.359 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCC(=O)[O-])n1 ZINC000263498405 277841890 /nfs/dbraw/zinc/84/18/90/277841890.db2.gz KGMLRKLHBNRQQJ-FZMZJTMJSA-N 0 1 308.382 1.979 10 0 DDAEMN CCOC(=O)[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000175148097 279580650 /nfs/dbraw/zinc/58/06/50/279580650.db2.gz OLXRMNJIWDZKSZ-ZFWWWQNUSA-N 0 1 306.406 1.475 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000120944228 696704078 /nfs/dbraw/zinc/70/40/78/696704078.db2.gz FBQNGPRNJVISTK-BHVCSQLQSA-N 0 1 317.499 1.562 10 0 DDAEMN CCCn1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)cn1 ZINC000129141366 696785549 /nfs/dbraw/zinc/78/55/49/696785549.db2.gz JCRXYGHXRCWQLA-HIFRSBDPSA-N 0 1 323.441 1.602 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCC1(C)OCCO1 ZINC000185527785 697519677 /nfs/dbraw/zinc/51/96/77/697519677.db2.gz WQCYOLBDNPTFAK-HNNXBMFYSA-N 0 1 306.406 1.429 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000191981985 697617927 /nfs/dbraw/zinc/61/79/27/697617927.db2.gz OHRUAPFIYWJZBL-KBPBESRZSA-N 0 1 308.422 1.853 10 0 DDAEMN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CN4CCC3CC4)c12 ZINC000222536036 697757087 /nfs/dbraw/zinc/75/70/87/697757087.db2.gz GAYAJGARBUNSSM-AWEZNQCLSA-N 0 1 313.405 1.409 10 0 DDAEMN CCCN1CCN(c2ncnc3c2NC(=O)[C@@H](C(C)C)N3)CC1 ZINC000223991274 697763950 /nfs/dbraw/zinc/76/39/50/697763950.db2.gz MSFHBWUNYIUCPZ-GFCCVEGCSA-N 0 1 318.425 1.397 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000262272628 698462356 /nfs/dbraw/zinc/46/23/56/698462356.db2.gz KOAACSQXOITIIK-LLVKDONJSA-N 0 1 306.284 1.517 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000263500525 698510310 /nfs/dbraw/zinc/51/03/10/698510310.db2.gz VGUJXZLOORYTAW-ZOODHJKOSA-N 0 1 323.437 1.896 10 0 DDAEMN C[C@H](CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000263528323 698511451 /nfs/dbraw/zinc/51/14/51/698511451.db2.gz VEAMMFNPIGZKFC-CJNGLKHVSA-N 0 1 324.396 1.646 10 0 DDAEMN Cc1n[nH]cc1S(=O)(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000381065932 699063979 /nfs/dbraw/zinc/06/39/79/699063979.db2.gz MZBPBEAHLIEGII-LBPRGKRZSA-N 0 1 322.434 1.517 10 0 DDAEMN CCn1ccnc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705672857 699241430 /nfs/dbraw/zinc/24/14/30/699241430.db2.gz DUBDGPSSRJEYTB-OLZOCXBDSA-N 0 1 324.425 1.220 10 0 DDAEMN COCc1nc(CN2CCc3sc(CN)nc3C2)cs1 ZINC000709695523 699252652 /nfs/dbraw/zinc/25/26/52/699252652.db2.gz FZVPSLOQLULPBU-UHFFFAOYSA-N 0 1 310.448 1.763 10 0 DDAEMN Cc1cccc(C)c1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886079636 708694108 /nfs/dbraw/zinc/69/41/08/708694108.db2.gz GYEJFUZVKKJOQH-GOSISDBHSA-N 0 1 317.433 1.065 10 0 DDAEMN C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)cc1 ZINC000900396719 709575731 /nfs/dbraw/zinc/57/57/31/709575731.db2.gz QQYDABKXAIJRSK-CQSZACIVSA-N 0 1 314.393 1.281 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCOC(C)C)CCN1C[C@H](C)O ZINC000248451705 282084366 /nfs/dbraw/zinc/08/43/66/282084366.db2.gz JWFOKFITMIEQIX-GJZGRUSLSA-N 0 1 315.458 1.288 10 0 DDAEMN C[C@@H](C(=O)c1ccc(Cl)cc1)[S@](=O)CCS(C)(=O)=O ZINC000081910164 192338986 /nfs/dbraw/zinc/33/89/86/192338986.db2.gz VYZHMQPCMWRFNZ-YYSFKGJASA-N 0 1 322.835 1.705 10 0 DDAEMN C[C@@H](NC(=O)c1ccc(N)c(Br)c1)c1nn[nH]n1 ZINC000078893293 185124269 /nfs/dbraw/zinc/12/42/69/185124269.db2.gz ZYLPYQHAJNOFGM-RXMQYKEDSA-N 0 1 311.143 1.035 10 0 DDAEMN CN[C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CCOC ZINC000081943179 192343954 /nfs/dbraw/zinc/34/39/54/192343954.db2.gz VDBLEUVBOUSBNI-LSDHHAIUSA-N 0 1 313.419 1.332 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)CC)c1S(N)(=O)=O ZINC000087895647 185235484 /nfs/dbraw/zinc/23/54/84/185235484.db2.gz XNYKAFSSTLMIAK-SECBINFHSA-N 0 1 316.427 1.128 10 0 DDAEMN Nc1cccc(OCCS(=O)(=O)Nc2ccc(F)cn2)c1 ZINC000088248136 185243472 /nfs/dbraw/zinc/24/34/72/185243472.db2.gz FCRVJBCUSVTFMK-UHFFFAOYSA-N 0 1 311.338 1.624 10 0 DDAEMN COC(=O)[C@@](C)(CN1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435585 185250385 /nfs/dbraw/zinc/25/03/85/185250385.db2.gz ZCRPAMWDSJHLGT-CYBMUJFWSA-N 0 1 308.344 1.944 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccncc2C)CCN1C[C@H](C)O ZINC000251710844 282203970 /nfs/dbraw/zinc/20/39/70/282203970.db2.gz KKTQCVAOIXNGJX-HOCLYGCPSA-N 0 1 320.437 1.377 10 0 DDAEMN CCCN1CCC(NS(=O)(=O)c2ccc(C=O)o2)CC1 ZINC000088541306 185255571 /nfs/dbraw/zinc/25/55/71/185255571.db2.gz ZSYVWFLKNQPSEX-UHFFFAOYSA-N 0 1 300.380 1.245 10 0 DDAEMN C[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 ZINC000192480121 539259638 /nfs/dbraw/zinc/25/96/38/539259638.db2.gz IIPQVSXKCQRTNV-SECBINFHSA-N 0 1 309.316 1.213 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1cccc(C(F)(F)F)n1 ZINC000088673145 185262011 /nfs/dbraw/zinc/26/20/11/185262011.db2.gz OAHLJZFGIJYMQU-VIFPVBQESA-N 0 1 303.284 1.442 10 0 DDAEMN Cc1oc(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c1CO ZINC000088876095 185267989 /nfs/dbraw/zinc/26/79/89/185267989.db2.gz YCOIJWDKNHHZOC-UHFFFAOYSA-N 0 1 316.423 1.103 10 0 DDAEMN COCCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000081985713 192349332 /nfs/dbraw/zinc/34/93/32/192349332.db2.gz BJUAPIIYFAVTFW-GJZGRUSLSA-N 0 1 313.419 1.461 10 0 DDAEMN CN1C(=O)CC[C@@H](NCc2cc3c(c(Cl)c2)OCO3)C1=O ZINC000090027225 185278938 /nfs/dbraw/zinc/27/89/38/185278938.db2.gz BAZLZTODKYEVJT-SNVBAGLBSA-N 0 1 310.737 1.306 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2cc(C)on2)CC1 ZINC000090253796 185288105 /nfs/dbraw/zinc/28/81/05/185288105.db2.gz WREGNSBOBJMVTO-GFCCVEGCSA-N 0 1 310.423 1.196 10 0 DDAEMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccsc1CN ZINC000092343991 185313381 /nfs/dbraw/zinc/31/33/81/185313381.db2.gz PDKFDXOAGIRSGD-MRVPVSSYSA-N 0 1 315.420 1.851 10 0 DDAEMN O=C(Nc1ccccc1Br)[C@H]1Cc2nc[nH]c2CN1 ZINC000092779559 185340240 /nfs/dbraw/zinc/34/02/40/185340240.db2.gz FRPGCRSRPSFMDA-LLVKDONJSA-N 0 1 321.178 1.825 10 0 DDAEMN COc1c(NS(=O)(=O)Cc2cccc(C)c2)c(C)nn1C ZINC000097140247 185414533 /nfs/dbraw/zinc/41/45/33/185414533.db2.gz CZOQFERXVJDRIY-UHFFFAOYSA-N 0 1 309.391 1.987 10 0 DDAEMN CNC(=O)[C@@H](C)NCc1ccc(I)cc1 ZINC000083849296 192386839 /nfs/dbraw/zinc/38/68/39/192386839.db2.gz MYHKCFCBHXFWFX-MRVPVSSYSA-N 0 1 318.158 1.515 10 0 DDAEMN CC(=O)N1CCC[C@@H](c2ccc(N3CCN(C)CC3)cn2)C1 ZINC000072364706 191133137 /nfs/dbraw/zinc/13/31/37/191133137.db2.gz HKLGCSMSCCGEQM-OAHLLOKOSA-N 0 1 302.422 1.559 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369086428 307115745 /nfs/dbraw/zinc/11/57/45/307115745.db2.gz WQSVQMVSODWWPV-UWVGGRQHSA-N 0 1 300.309 1.448 10 0 DDAEMN CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000173000801 198175832 /nfs/dbraw/zinc/17/58/32/198175832.db2.gz VYXBTSLHMODUFA-ZBFHGGJFSA-N 0 1 320.433 1.863 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000072910753 191251022 /nfs/dbraw/zinc/25/10/22/191251022.db2.gz RYIPJANXCROYTK-MFKMUULPSA-N 0 1 324.402 1.315 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000173885009 198264927 /nfs/dbraw/zinc/26/49/27/198264927.db2.gz YZUWZZZFEUCRCV-PWSUYJOCSA-N 0 1 318.389 1.972 10 0 DDAEMN COC(=O)c1cncc2cc(I)[nH]c21 ZINC000096321351 353914080 /nfs/dbraw/zinc/91/40/80/353914080.db2.gz ZGTMSWQQXDRLMB-UHFFFAOYSA-N 0 1 302.071 1.954 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000135614389 354115552 /nfs/dbraw/zinc/11/55/52/354115552.db2.gz MOLVYAKOSMQSEG-HNNXBMFYSA-N 0 1 324.396 1.501 10 0 DDAEMN COC(=O)C[C@@H](NC(=O)c1ccc(CN)o1)c1ccccc1 ZINC000150782226 354177750 /nfs/dbraw/zinc/17/77/50/354177750.db2.gz SQZQURNUFUZPSS-CYBMUJFWSA-N 0 1 302.330 1.773 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(OC)CCC2)CCN1C[C@H](C)O ZINC000248492538 354369437 /nfs/dbraw/zinc/36/94/37/354369437.db2.gz OPZLEJJWHMZUEN-KBPBESRZSA-N 0 1 313.442 1.042 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(CC(C)C)n[nH]2)C1 ZINC000328639860 354557292 /nfs/dbraw/zinc/55/72/92/354557292.db2.gz PSINAOCRNFURPB-UHFFFAOYSA-N 0 1 322.409 1.276 10 0 DDAEMN C[C@H](NC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1)c1nccs1 ZINC000080319344 192024208 /nfs/dbraw/zinc/02/42/08/192024208.db2.gz WCXJFXKPTHQKDF-JTQLQIEISA-N 0 1 312.395 1.006 10 0 DDAEMN CC(C)N1CCO[C@H](CN(C)c2ccc(C(N)=S)cc2)C1 ZINC000080746524 192186921 /nfs/dbraw/zinc/18/69/21/192186921.db2.gz NOIZIWXFMQECHY-OAHLLOKOSA-N 0 1 307.463 1.866 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2c[nH]cn2)n1 ZINC000080869077 192196568 /nfs/dbraw/zinc/19/65/68/192196568.db2.gz WFLMSLOEGQJFBF-SSDOTTSWSA-N 0 1 301.397 1.338 10 0 DDAEMN NCc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)o1 ZINC000081542670 192287392 /nfs/dbraw/zinc/28/73/92/192287392.db2.gz CRYDKTGSHBCWDT-UHFFFAOYSA-N 0 1 301.272 1.364 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)[N-]OCc1ccccc1 ZINC000180527557 199171542 /nfs/dbraw/zinc/17/15/42/199171542.db2.gz WDNOKZWXUXHYGC-MRXNPFEDSA-N 0 1 305.422 1.651 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000195316345 201379350 /nfs/dbraw/zinc/37/93/50/201379350.db2.gz URXCBDJXAAOXOY-AAEUAGOBSA-N 0 1 313.423 1.097 10 0 DDAEMN Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1CNC1CC1 ZINC000092113686 193161500 /nfs/dbraw/zinc/16/15/00/193161500.db2.gz YDSPPXDJTXYTDG-AOOOYVTPSA-N 0 1 312.439 1.247 10 0 DDAEMN CCN1CCC[C@H]1CNS(=O)(=O)c1c(C)cc(N)cc1C ZINC000093648154 193283439 /nfs/dbraw/zinc/28/34/39/193283439.db2.gz AYVPCPFKVOOUEG-AWEZNQCLSA-N 0 1 311.451 1.648 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093833161 193314985 /nfs/dbraw/zinc/31/49/85/193314985.db2.gz BJQIFCZGXKGJMN-KOLCDFICSA-N 0 1 302.172 1.631 10 0 DDAEMN Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)sc1/C=C/C(=O)[O-] ZINC000094537717 193378494 /nfs/dbraw/zinc/37/84/94/193378494.db2.gz VLHPVCFICDUZFL-UFFNRZRYSA-N 0 1 308.403 1.836 10 0 DDAEMN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1N)c1nn[nH]n1 ZINC000094595884 193382664 /nfs/dbraw/zinc/38/26/64/193382664.db2.gz DFHXZCMNRBZJOH-RXMQYKEDSA-N 0 1 300.244 1.292 10 0 DDAEMN Brc1cccn2nc(NCCCc3nc[nH]n3)nc12 ZINC000094606415 193384530 /nfs/dbraw/zinc/38/45/30/193384530.db2.gz SNIVGQJEDQUTSD-UHFFFAOYSA-N 0 1 322.170 1.655 10 0 DDAEMN Cc1cc(C)nc(NS(=O)(=O)c2cc(N)c(F)cc2C)n1 ZINC000094779116 193396462 /nfs/dbraw/zinc/39/64/62/193396462.db2.gz UNWZYBIULXUEIK-UHFFFAOYSA-N 0 1 310.354 1.924 10 0 DDAEMN C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CCNCC1 ZINC000020567364 182233083 /nfs/dbraw/zinc/23/30/83/182233083.db2.gz VDRJJKMUWXQODO-JTQLQIEISA-N 0 1 302.296 1.905 10 0 DDAEMN FC(F)c1nnc2ccc(N3CCC[C@@H](c4nc[nH]n4)C3)nn21 ZINC000333512644 249006511 /nfs/dbraw/zinc/00/65/11/249006511.db2.gz FLHVYYGJBXPBOP-MRVPVSSYSA-N 0 1 320.307 1.564 10 0 DDAEMN Nc1ccc(F)c(S(=O)(=O)NCCN2CCCCCC2)c1 ZINC000040767291 183131623 /nfs/dbraw/zinc/13/16/23/183131623.db2.gz VEMXDLOJHFACJX-UHFFFAOYSA-N 0 1 315.414 1.562 10 0 DDAEMN Nc1ccc(Cl)c(NC(=O)CSc2nc(N)cc(N)n2)c1 ZINC000041023517 183156807 /nfs/dbraw/zinc/15/68/07/183156807.db2.gz ZXCLSJLVNXLPQZ-UHFFFAOYSA-N 0 1 324.797 1.607 10 0 DDAEMN Nc1ccc(NC(=O)CSc2nc(N)cc(N)n2)c(Cl)c1 ZINC000041023435 183156944 /nfs/dbraw/zinc/15/69/44/183156944.db2.gz OSLNAKDNBBUVQJ-UHFFFAOYSA-N 0 1 324.797 1.607 10 0 DDAEMN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1nc2c(s1)CNCC2 ZINC000041157075 183179517 /nfs/dbraw/zinc/17/95/17/183179517.db2.gz DMTHUGZSDLGRIN-VVJJBPBLSA-N 0 1 301.371 1.100 10 0 DDAEMN COC(=O)[C@@H](C)S(=O)(=O)Nc1cccc(Br)c1 ZINC000042537355 183281636 /nfs/dbraw/zinc/28/16/36/183281636.db2.gz TZGGOXYUZNODIY-SSDOTTSWSA-N 0 1 322.180 1.752 10 0 DDAEMN Cc1[nH]ncc1CNS(=O)(=O)c1ccc2c(c1)CCCN2 ZINC000042356858 183258275 /nfs/dbraw/zinc/25/82/75/183258275.db2.gz BAIXYRZTUBGXCA-UHFFFAOYSA-N 0 1 306.391 1.555 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2CNCCO2)cc1OC(F)F ZINC000043709133 183382945 /nfs/dbraw/zinc/38/29/45/183382945.db2.gz YKEQCICCCPCHPL-NSHDSACASA-N 0 1 302.277 1.224 10 0 DDAEMN O=C(NCc1nccn1C(F)F)N1CCN2CCCC[C@H]2C1 ZINC000105225723 194086128 /nfs/dbraw/zinc/08/61/28/194086128.db2.gz GMZVJAZQZQHUNG-NSHDSACASA-N 0 1 313.352 1.658 10 0 DDAEMN COCc1ccccc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000285088091 218285112 /nfs/dbraw/zinc/28/51/12/218285112.db2.gz DKXHQECFDSVLMT-HZPDHXFCSA-N 0 1 304.390 1.378 10 0 DDAEMN C[N@H+]1CC[C@H](CNc2ncc(Br)cc2C(=O)[O-])C1 ZINC000050043593 183769421 /nfs/dbraw/zinc/76/94/21/183769421.db2.gz YVQAGWNAQYOKKG-MRVPVSSYSA-N 0 1 314.183 1.906 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)CC(F)(F)F)CC1 ZINC000109463752 194265833 /nfs/dbraw/zinc/26/58/33/194265833.db2.gz IZBOWACJTLQGPX-SECBINFHSA-N 0 1 311.373 1.538 10 0 DDAEMN O=C(CN[C@@H]1CCC(=O)NC1)Nc1c(Cl)cccc1Cl ZINC000111020200 194384184 /nfs/dbraw/zinc/38/41/84/194384184.db2.gz FBAKXRUXTLSLNQ-MRVPVSSYSA-N 0 1 316.188 1.800 10 0 DDAEMN C/C=C/C(=O)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1 ZINC000059349921 184137502 /nfs/dbraw/zinc/13/75/02/184137502.db2.gz RWZVIQPFZALMSY-NSCUHMNNSA-N 0 1 300.362 1.910 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000061653239 184181296 /nfs/dbraw/zinc/18/12/96/184181296.db2.gz JZKYQFUGPBSAGY-ZDUSSCGKSA-N 0 1 309.435 1.369 10 0 DDAEMN CC(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(F)cc1F ZINC000062743494 184252077 /nfs/dbraw/zinc/25/20/77/184252077.db2.gz DMTJAWUJOBXAHA-UHFFFAOYSA-N 0 1 300.305 1.946 10 0 DDAEMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(F)cc1F ZINC000062743494 184252079 /nfs/dbraw/zinc/25/20/79/184252079.db2.gz DMTJAWUJOBXAHA-UHFFFAOYSA-N 0 1 300.305 1.946 10 0 DDAEMN C[C@@H](NCc1ccc(O)c(Br)c1)C(=O)N(C)C ZINC000062702012 184248314 /nfs/dbraw/zinc/24/83/14/184248314.db2.gz SWNJACJVYULYNY-MRVPVSSYSA-N 0 1 301.184 1.721 10 0 DDAEMN C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1)N1CCN(C)CC1 ZINC000120556475 195190148 /nfs/dbraw/zinc/19/01/48/195190148.db2.gz WAIHHBFPWWPAQP-DJIMGWMZSA-N 0 1 307.482 1.955 10 0 DDAEMN CC(C)(C)OC[C@@H](O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000120763606 195232346 /nfs/dbraw/zinc/23/23/46/195232346.db2.gz UUAGOFJSYFBJHD-HNNXBMFYSA-N 0 1 308.422 1.540 10 0 DDAEMN CCO[C@@H]1C[C@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)[C@@H]1SC ZINC000263504896 286382318 /nfs/dbraw/zinc/38/23/18/286382318.db2.gz LTTULAUIQFOPQN-MIQYRIAESA-N 0 1 316.467 1.423 10 0 DDAEMN CCO[C@@H]1C[C@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)[C@@H]1SC ZINC000263504896 286382320 /nfs/dbraw/zinc/38/23/20/286382320.db2.gz LTTULAUIQFOPQN-MIQYRIAESA-N 0 1 316.467 1.423 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000123275860 407324299 /nfs/dbraw/zinc/32/42/99/407324299.db2.gz OSKFOLFRRVOOOY-QGZVFWFLSA-N 0 1 305.422 1.404 10 0 DDAEMN CC(C)(C)OC(=O)[C@H]1CN([C@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000100339109 407307505 /nfs/dbraw/zinc/30/75/05/407307505.db2.gz WDLZIQYFGMTKLA-INTQDDNPSA-N 0 1 312.391 1.432 10 0 DDAEMN O=C1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1 ZINC000122645335 407307571 /nfs/dbraw/zinc/30/75/71/407307571.db2.gz HHOKUNJMPVWROX-ZDUSSCGKSA-N 0 1 307.781 1.655 10 0 DDAEMN COC[C@H](C)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000103430144 407338604 /nfs/dbraw/zinc/33/86/04/407338604.db2.gz XKWFMOFXWMPNQA-INIZCTEOSA-N 0 1 319.449 1.597 10 0 DDAEMN COC[C@@H](C)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000103456335 407340181 /nfs/dbraw/zinc/34/01/81/407340181.db2.gz NINHFNJAQDDIEO-SNVBAGLBSA-N 0 1 304.350 1.379 10 0 DDAEMN COC[C@@H](C)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000103456335 407340182 /nfs/dbraw/zinc/34/01/82/407340182.db2.gz NINHFNJAQDDIEO-SNVBAGLBSA-N 0 1 304.350 1.379 10 0 DDAEMN CC[C@H]1CN(Cc2cccc(C(N)=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000105827056 407355802 /nfs/dbraw/zinc/35/58/02/407355802.db2.gz IZCQFKOWEBKAPH-CJNGLKHVSA-N 0 1 305.422 1.063 10 0 DDAEMN CCc1cc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)n[nH]1 ZINC000112060901 407420834 /nfs/dbraw/zinc/42/08/34/407420834.db2.gz IGQQGDFDQLSQGI-CYBMUJFWSA-N 0 1 303.366 1.018 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000113305893 407492888 /nfs/dbraw/zinc/49/28/88/407492888.db2.gz WGXDSYIHGRVPDA-ZYHUDNBSSA-N 0 1 316.373 1.822 10 0 DDAEMN O=C(NC1CC1)[C@H]1CCCN1C[C@@H](O)COCc1ccccc1 ZINC000113505238 407509956 /nfs/dbraw/zinc/50/99/56/407509956.db2.gz GBFLDBXVJRBJQI-IAGOWNOFSA-N 0 1 318.417 1.307 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCc1nncn1C1CC1 ZINC000112905695 407446264 /nfs/dbraw/zinc/44/62/64/407446264.db2.gz YNEGVLKJCMHTJW-OAHLLOKOSA-N 0 1 313.405 1.402 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCCC3=CCCC3)CCO2)n[nH]1 ZINC000152191994 407581077 /nfs/dbraw/zinc/58/10/77/407581077.db2.gz ASNKWBHTEKBLLI-CYBMUJFWSA-N 0 1 319.409 1.950 10 0 DDAEMN O=c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2ccc([O-])cc2o1 ZINC000178629779 407516808 /nfs/dbraw/zinc/51/68/08/407516808.db2.gz HSKVPYHCVZXMKG-CYBMUJFWSA-N 0 1 300.358 1.779 10 0 DDAEMN O=c1cc(CN2CC[N@H+]3CCC[C@@H]3C2)c2ccc([O-])cc2o1 ZINC000178629779 407516816 /nfs/dbraw/zinc/51/68/16/407516816.db2.gz HSKVPYHCVZXMKG-CYBMUJFWSA-N 0 1 300.358 1.779 10 0 DDAEMN O=C(CN1Cc2ccccc2C1=O)N1CCN2CCCC[C@@H]2C1 ZINC000226097479 407614645 /nfs/dbraw/zinc/61/46/45/407614645.db2.gz OVGIHMCCVYNCSJ-OAHLLOKOSA-N 0 1 313.401 1.339 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccnc2)CCN1C[C@@H](C)O ZINC000171565155 407705328 /nfs/dbraw/zinc/70/53/28/407705328.db2.gz NHXZRCIXYUJRCR-HIFRSBDPSA-N 0 1 306.410 1.068 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116518633 407760710 /nfs/dbraw/zinc/76/07/10/407760710.db2.gz VRHCRHWNVODGQX-AWEZNQCLSA-N 0 1 316.409 1.583 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000262198059 407762768 /nfs/dbraw/zinc/76/27/68/407762768.db2.gz CVOUCQQMMXZHBG-QWHCGFSZSA-N 0 1 314.332 1.755 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000262234723 407772530 /nfs/dbraw/zinc/77/25/30/407772530.db2.gz HGCXVGRSQLXJDH-AVGNSLFASA-N 0 1 307.394 1.212 10 0 DDAEMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@H](c2nccs2)C1 ZINC000171855074 407785597 /nfs/dbraw/zinc/78/55/97/407785597.db2.gz ZBKIUZQPVJRXKF-GFCCVEGCSA-N 0 1 304.375 1.957 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000262383001 407819901 /nfs/dbraw/zinc/81/99/01/407819901.db2.gz YBJXWCQRIINWAI-HUUCEWRRSA-N 0 1 322.405 1.143 10 0 DDAEMN C[C@H](C(=O)Nc1ccccc1)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262447985 407835773 /nfs/dbraw/zinc/83/57/73/407835773.db2.gz DHVGAZQPZGBILF-CYBMUJFWSA-N 0 1 319.405 1.494 10 0 DDAEMN CCCn1nc(C)c(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1C ZINC000180105211 407854707 /nfs/dbraw/zinc/85/47/07/407854707.db2.gz XUOYFNNZOBOHLY-OAHLLOKOSA-N 0 1 318.425 1.910 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cnn(C(C)C)c3C)CCO2)n[nH]1 ZINC000180322494 407878391 /nfs/dbraw/zinc/87/83/91/407878391.db2.gz UYMGVKUJRGBFGV-CYBMUJFWSA-N 0 1 318.381 1.413 10 0 DDAEMN C[C@@H](C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C(F)(F)F ZINC000262684125 407900853 /nfs/dbraw/zinc/90/08/53/407900853.db2.gz BRNVBOPBYHZVNA-PUSIOWJLSA-N 0 1 322.327 1.629 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134480399 407901862 /nfs/dbraw/zinc/90/18/62/407901862.db2.gz HUIVHPXRTQFOFJ-GWCFXTLKSA-N 0 1 300.366 1.381 10 0 DDAEMN Cc1ncccc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262706092 407904658 /nfs/dbraw/zinc/90/46/58/407904658.db2.gz JNKYXDRVIJFYQJ-UHFFFAOYSA-N 0 1 317.389 1.447 10 0 DDAEMN Cn1cc([C@H]2CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000180656376 407906001 /nfs/dbraw/zinc/90/60/01/407906001.db2.gz YZVPNSBHBFWZHB-JTQLQIEISA-N 0 1 304.316 1.278 10 0 DDAEMN Cn1cc([C@H]2CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000180656376 407906008 /nfs/dbraw/zinc/90/60/08/407906008.db2.gz YZVPNSBHBFWZHB-JTQLQIEISA-N 0 1 304.316 1.278 10 0 DDAEMN CC1(C)C[C@H](NC(=O)C[C@H]2COCCN2)c2ccccc2O1 ZINC000262504480 407850849 /nfs/dbraw/zinc/85/08/49/407850849.db2.gz IZBVUALTZYOLDE-JSGCOSHPSA-N 0 1 304.390 1.784 10 0 DDAEMN CNC(=O)CCCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000154082913 407968104 /nfs/dbraw/zinc/96/81/04/407968104.db2.gz FHZVNYYWYCFIAW-HNNXBMFYSA-N 0 1 305.422 1.144 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000119275727 408030281 /nfs/dbraw/zinc/03/02/81/408030281.db2.gz FSNRAHYVHIJXHQ-WMZOPIPTSA-N 0 1 320.433 1.065 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000246253477 408193946 /nfs/dbraw/zinc/19/39/46/408193946.db2.gz SUMZKJWSPZGHMN-SMDDNHRTSA-N 0 1 300.399 1.833 10 0 DDAEMN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](COC)Cc2ccccc2)C1 ZINC000263484246 408151806 /nfs/dbraw/zinc/15/18/06/408151806.db2.gz GZHLZHLTZYSJID-AQFXKWCLSA-N 0 1 320.433 1.771 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](COC)Cc2ccccc2)C1 ZINC000263484246 408151810 /nfs/dbraw/zinc/15/18/10/408151810.db2.gz GZHLZHLTZYSJID-AQFXKWCLSA-N 0 1 320.433 1.771 10 0 DDAEMN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCN2CCCC[C@@H]2C1 ZINC000182444584 408163790 /nfs/dbraw/zinc/16/37/90/408163790.db2.gz IMDSMGOBLSKVMA-OAHLLOKOSA-N 0 1 313.401 1.420 10 0 DDAEMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1CNC(=O)C1 ZINC000138574975 408165852 /nfs/dbraw/zinc/16/58/52/408165852.db2.gz FXPMAHFPVRWAAC-ZDUSSCGKSA-N 0 1 319.430 1.310 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000246292197 408207968 /nfs/dbraw/zinc/20/79/68/408207968.db2.gz BDHJFNNKSQXVLB-PMPSAXMXSA-N 0 1 309.454 1.040 10 0 DDAEMN CCN1CCC[C@H](NC(=O)CSCC(=O)OC(C)(C)C)C1 ZINC000172843123 162307994 /nfs/dbraw/zinc/30/79/94/162307994.db2.gz SVAJZGMFZFUGNM-LBPRGKRZSA-N 0 1 316.467 1.662 10 0 DDAEMN CC(C)c1nnc(CN2CC[C@@H](CN3CCOCC3)C2)n1C ZINC000172941483 162312269 /nfs/dbraw/zinc/31/22/69/162312269.db2.gz IYBQAHLYHZOMPB-AWEZNQCLSA-N 0 1 307.442 1.093 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)n[nH]1 ZINC000173533029 162346855 /nfs/dbraw/zinc/34/68/55/162346855.db2.gz RRSKIJDMMQQATO-CQSZACIVSA-N 0 1 300.362 1.646 10 0 DDAEMN CC1(C)[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)[C@@H]2CCO[C@H]21 ZINC000246978817 408377728 /nfs/dbraw/zinc/37/77/28/408377728.db2.gz PAVSFMSFWSMRLV-LXTVHRRPSA-N 0 1 307.438 1.680 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247007286 408383554 /nfs/dbraw/zinc/38/35/54/408383554.db2.gz BVWYLRPDZPYRGH-YHUYYLMFSA-N 0 1 313.486 1.457 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000247134301 408415751 /nfs/dbraw/zinc/41/57/51/408415751.db2.gz KNZYLAFHURKLAL-FZKCQIBNSA-N 0 1 311.470 1.163 10 0 DDAEMN Cc1ccc(N2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)nn1 ZINC000247218168 408431048 /nfs/dbraw/zinc/43/10/48/408431048.db2.gz QHODMWOZZBXRLO-CQSZACIVSA-N 0 1 319.453 1.600 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247515516 408487529 /nfs/dbraw/zinc/48/75/29/408487529.db2.gz KFCYCYHLVUJCLV-ZOBUZTSGSA-N 0 1 320.433 1.678 10 0 DDAEMN CCc1cnc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000177121328 408525638 /nfs/dbraw/zinc/52/56/38/408525638.db2.gz YPCNROHVYJOZPY-JTQLQIEISA-N 0 1 322.394 1.737 10 0 DDAEMN CC(C)n1nccc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247459938 408475807 /nfs/dbraw/zinc/47/58/07/408475807.db2.gz IGOZLGSDOADILW-STQMWFEESA-N 0 1 309.414 1.383 10 0 DDAEMN COC(=O)c1ccc(F)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000248399755 408558698 /nfs/dbraw/zinc/55/86/98/408558698.db2.gz KDUIWJZCMBJSEN-STQMWFEESA-N 0 1 324.396 1.499 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CC[C@@H](N(C)C)C2)c(F)c1 ZINC000192598011 408616638 /nfs/dbraw/zinc/61/66/38/408616638.db2.gz JWOZWAYJAHFLQJ-CYBMUJFWSA-N 0 1 300.399 1.600 10 0 DDAEMN CCCCNC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163155457 408764863 /nfs/dbraw/zinc/76/48/63/408764863.db2.gz JNHDOVMQXINPEX-LBPRGKRZSA-N 0 1 312.435 1.657 10 0 DDAEMN CN(C)[C@H](C(=O)N1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000253359256 408813871 /nfs/dbraw/zinc/81/38/71/408813871.db2.gz KOQVSGPBWDHGQF-IRXDYDNUSA-N 0 1 301.434 1.986 10 0 DDAEMN Cn1cc(C[N@@H+]2CCCN(C[C@H](O)CC(F)(F)F)CC2)cn1 ZINC000189198361 163087888 /nfs/dbraw/zinc/08/78/88/163087888.db2.gz UFFNQORYUHKRNJ-CYBMUJFWSA-N 0 1 320.359 1.241 10 0 DDAEMN CN(CC(=O)N1CCN2CCCC[C@H]2C1)C(=O)c1cccs1 ZINC000195060631 163305372 /nfs/dbraw/zinc/30/53/72/163305372.db2.gz FUUWDGDOZGEAEU-ZDUSSCGKSA-N 0 1 321.446 1.517 10 0 DDAEMN O=C(CCN1CCCC[C@@H]1c1nccs1)N1CCOCC1 ZINC000195359972 163318969 /nfs/dbraw/zinc/31/89/69/163318969.db2.gz CUUSOBIVGQSDAW-CYBMUJFWSA-N 0 1 309.435 1.919 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195504861 163324764 /nfs/dbraw/zinc/32/47/64/163324764.db2.gz CYJFEBGJJFYMJC-CQSZACIVSA-N 0 1 322.453 1.531 10 0 DDAEMN CN(CC1CC1)C(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000195516000 163327102 /nfs/dbraw/zinc/32/71/02/163327102.db2.gz ATVXVDDAEDKMTO-HNNXBMFYSA-N 0 1 302.422 1.684 10 0 DDAEMN CN(C)S(=O)(=O)c1cccc(CN2CC[C@@H](CCO)C2)c1 ZINC000227567516 163339489 /nfs/dbraw/zinc/33/94/89/163339489.db2.gz GFAJHNMRUBKZSZ-ZDUSSCGKSA-N 0 1 312.435 1.141 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccccc1Cl ZINC000380767205 418727464 /nfs/dbraw/zinc/72/74/64/418727464.db2.gz PNCXTJSFOJJATF-QWRGUYRKSA-N 0 1 318.826 1.309 10 0 DDAEMN Cc1ncccc1CN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000299741737 229378100 /nfs/dbraw/zinc/37/81/00/229378100.db2.gz AKARFOMDFXUFGA-INIZCTEOSA-N 0 1 303.406 1.242 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000492521056 420582346 /nfs/dbraw/zinc/58/23/46/420582346.db2.gz LAGWKPFQNBHPFJ-KKTNHOPESA-N 0 1 304.390 1.321 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@H](c2c[nH]nn2)C1 ZINC000616600923 422516904 /nfs/dbraw/zinc/51/69/04/422516904.db2.gz FHVOIVALRZPACR-LBPRGKRZSA-N 0 1 306.391 1.763 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@H](c2cnn[nH]2)C1 ZINC000616600923 422516909 /nfs/dbraw/zinc/51/69/09/422516909.db2.gz FHVOIVALRZPACR-LBPRGKRZSA-N 0 1 306.391 1.763 10 0 DDAEMN COc1ccccc1CN[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275694206 274157984 /nfs/dbraw/zinc/15/79/84/274157984.db2.gz XESKECOJRAFFDU-AWEZNQCLSA-N 0 1 314.389 1.949 10 0 DDAEMN CC(C)CN1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176601459 275576100 /nfs/dbraw/zinc/57/61/00/275576100.db2.gz AYSIEKZRLWKNNB-ZDUSSCGKSA-N 0 1 306.414 1.096 10 0 DDAEMN C[NH2+][C@H](C)Cc1noc(-c2cc(C)ccc2[N-]S(C)(=O)=O)n1 ZINC000261710174 277299113 /nfs/dbraw/zinc/29/91/13/277299113.db2.gz ISTDFXLOXHDTGG-SNVBAGLBSA-N 0 1 324.406 1.567 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000113226333 297095531 /nfs/dbraw/zinc/09/55/31/297095531.db2.gz SOUMOJOENBUTGZ-TZMCWYRMSA-N 0 1 322.430 1.399 10 0 DDAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCOCC2(CCCC2)C1 ZINC000367488997 307095051 /nfs/dbraw/zinc/09/50/51/307095051.db2.gz HVRGEPRQAJCBAN-LBPRGKRZSA-N 0 1 304.394 1.329 10 0 DDAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCOCC2(CCCC2)C1 ZINC000367488997 307095052 /nfs/dbraw/zinc/09/50/52/307095052.db2.gz HVRGEPRQAJCBAN-LBPRGKRZSA-N 0 1 304.394 1.329 10 0 DDAEMN O=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCNCC1 ZINC000037716325 337367377 /nfs/dbraw/zinc/36/73/77/337367377.db2.gz QRWZNUQKKOZHLV-UHFFFAOYSA-N 0 1 322.718 1.598 10 0 DDAEMN NS(=O)(=O)c1ccc(Nc2nc(Cl)nc3[nH]cnc32)cc1 ZINC000584635026 337374758 /nfs/dbraw/zinc/37/47/58/337374758.db2.gz HAKQIKNLEZYQIN-UHFFFAOYSA-N 0 1 324.753 1.397 10 0 DDAEMN CC(=O)N1CCN(C[C@@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC000667471681 484617378 /nfs/dbraw/zinc/61/73/78/484617378.db2.gz IABDZZNFMDJWPS-LSDHHAIUSA-N 0 1 306.410 1.052 10 0 DDAEMN Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)o1 ZINC000671472205 485060979 /nfs/dbraw/zinc/06/09/79/485060979.db2.gz HTERSWAOJGQCIP-GXTWGEPZSA-N 0 1 304.398 1.631 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)c3ccco3)cc2N)CC1 ZINC000226263938 490701390 /nfs/dbraw/zinc/70/13/90/490701390.db2.gz MLFDPPSWZZALOV-UHFFFAOYSA-N 0 1 300.362 1.866 10 0 DDAEMN COc1cccc(CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173528534 525868870 /nfs/dbraw/zinc/86/88/70/525868870.db2.gz ASACFDLTCQNZCL-CQSZACIVSA-N 0 1 316.361 1.264 10 0 DDAEMN COc1cccc(OCCN2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000154484241 526233146 /nfs/dbraw/zinc/23/31/46/526233146.db2.gz XILIEBFWENMVIC-HNNXBMFYSA-N 0 1 318.377 1.574 10 0 DDAEMN O[C@H](CN1CCC[C@H](n2cncn2)C1)c1ccc(F)c(F)c1 ZINC000105898918 696625410 /nfs/dbraw/zinc/62/54/10/696625410.db2.gz BZMKGHUNLPVUSN-SWLSCSKDSA-N 0 1 308.332 1.927 10 0 DDAEMN O[C@@H](CN1CC[C@H](N2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000173950009 697382504 /nfs/dbraw/zinc/38/25/04/697382504.db2.gz SUBHYORQEIGUDR-BBRMVZONSA-N 0 1 312.360 1.405 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248877540 698382541 /nfs/dbraw/zinc/38/25/41/698382541.db2.gz OHRUAPFIYWJZBL-UONOGXRCSA-N 0 1 308.422 1.853 10 0 DDAEMN COC[C@H](N)C(=O)N1CCc2c(Br)cccc2C1 ZINC000262219129 698459887 /nfs/dbraw/zinc/45/98/87/698459887.db2.gz FMTRBJNJOXHHSM-LBPRGKRZSA-N 0 1 313.195 1.308 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC000262241389 698460658 /nfs/dbraw/zinc/46/06/58/698460658.db2.gz HTSABINBLMNTDV-KOLCDFICSA-N 0 1 320.311 1.563 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC000263199413 698495618 /nfs/dbraw/zinc/49/56/18/698495618.db2.gz UTVFYLNKFUUGFZ-UHFFFAOYSA-N 0 1 315.373 1.835 10 0 DDAEMN CCOc1cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)ncn1 ZINC000263542402 698512844 /nfs/dbraw/zinc/51/28/44/698512844.db2.gz DQPJRWDLOCHRHH-UHFFFAOYSA-N 0 1 320.393 1.615 10 0 DDAEMN COCC1CC(NC(=O)[C@H](N)[C@H](C)OCc2ccccc2)C1 ZINC000713995346 699268894 /nfs/dbraw/zinc/26/88/94/699268894.db2.gz GWYMRKCBZGYCBH-HOJRLLLISA-N 0 1 306.406 1.460 10 0 DDAEMN NC(=O)C1CC(NCc2c(F)cccc2Br)C1 ZINC000716686004 699283717 /nfs/dbraw/zinc/28/37/17/699283717.db2.gz IIXANFVOOIXEKK-UHFFFAOYSA-N 0 1 301.159 1.942 10 0 DDAEMN O=C(c1ccccc1Br)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720636108 699307180 /nfs/dbraw/zinc/30/71/80/699307180.db2.gz ICWHVHUMKTVGAY-SNVBAGLBSA-N 0 1 322.166 1.940 10 0 DDAEMN CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccco3)C2)ccn1 ZINC000886044984 708688138 /nfs/dbraw/zinc/68/81/38/708688138.db2.gz SXWFYJVQELSDDT-QGZVFWFLSA-N 0 1 315.373 1.964 10 0 DDAEMN CCN(CC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1)C1CC1 ZINC000888103026 709214176 /nfs/dbraw/zinc/21/41/76/709214176.db2.gz ADVRYFJOUFBWSU-CABCVRRESA-N 0 1 320.437 1.799 10 0 DDAEMN Cn1cc([C@@H]2CN(c3nc(Cl)nc4[nH]cnc43)CCO2)cn1 ZINC000892856209 710513429 /nfs/dbraw/zinc/51/34/29/710513429.db2.gz GCXVFKYCGXFELB-VIFPVBQESA-N 0 1 319.756 1.318 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000908092593 712684611 /nfs/dbraw/zinc/68/46/11/712684611.db2.gz NMBWLZZMGUHKOP-DGAVXFQQSA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000908092593 712684614 /nfs/dbraw/zinc/68/46/14/712684614.db2.gz NMBWLZZMGUHKOP-DGAVXFQQSA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000908092593 712684615 /nfs/dbraw/zinc/68/46/15/712684615.db2.gz NMBWLZZMGUHKOP-DGAVXFQQSA-N 0 1 319.409 1.110 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cccc(O)c2)CCN1C[C@H](C)O ZINC000249049300 282128985 /nfs/dbraw/zinc/12/89/85/282128985.db2.gz ACZSUQUSABMVFF-WIPWUNCGSA-N 0 1 318.417 1.709 10 0 DDAEMN Cc1ncsc1/C=C/C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249118457 282134267 /nfs/dbraw/zinc/13/42/67/282134267.db2.gz FZZMDVKBLRVKNZ-RVAOTSRCSA-N 0 1 309.435 1.378 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(CC)cc1 ZINC000081976410 192347470 /nfs/dbraw/zinc/34/74/70/192347470.db2.gz PKJVYXGNECEPMT-AWEZNQCLSA-N 0 1 313.419 1.487 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc(Cl)cc1F ZINC000087545578 185228072 /nfs/dbraw/zinc/22/80/72/185228072.db2.gz YTTBRYFXAKJBJV-UHFFFAOYSA-N 0 1 303.746 1.723 10 0 DDAEMN O=C1CNCCCN1Cc1cc(Br)ccc1F ZINC000087882184 185234426 /nfs/dbraw/zinc/23/44/26/185234426.db2.gz OXKKNHUOKLUESS-UHFFFAOYSA-N 0 1 301.159 1.910 10 0 DDAEMN CN[C@H](CS(=O)(=O)CC(=O)OC)c1ccc(C(C)C)cc1 ZINC000081976714 192347878 /nfs/dbraw/zinc/34/78/78/192347878.db2.gz GEYDERFVQHKGFP-CQSZACIVSA-N 0 1 313.419 1.658 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N(C)CC2CCC2)c1S(N)(=O)=O ZINC000087900201 185236583 /nfs/dbraw/zinc/23/65/83/185236583.db2.gz BWCLIUCIVUUFSN-UHFFFAOYSA-N 0 1 314.411 1.053 10 0 DDAEMN CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(CNC)o1 ZINC000088544336 185256770 /nfs/dbraw/zinc/25/67/70/185256770.db2.gz SHBHQMSLVVCKDR-LLVKDONJSA-N 0 1 304.412 1.435 10 0 DDAEMN Nc1cc(Cl)c(S(=O)(=O)NCc2cnc[nH]2)c(Cl)c1 ZINC000088750431 185264172 /nfs/dbraw/zinc/26/41/72/185264172.db2.gz JPELTXOEWHVBBB-UHFFFAOYSA-N 0 1 321.189 1.777 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cscn2)CCN1C[C@H](C)O ZINC000248459309 539272003 /nfs/dbraw/zinc/27/20/03/539272003.db2.gz RHEHKQNGMCSCCZ-AAEUAGOBSA-N 0 1 312.439 1.130 10 0 DDAEMN CN1C(=O)C[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1=O ZINC000088775676 185265348 /nfs/dbraw/zinc/26/53/48/185265348.db2.gz QYETVZUESDBDTJ-VXGBXAGGSA-N 0 1 323.190 1.783 10 0 DDAEMN CCN[C@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCCOC ZINC000081985982 192349311 /nfs/dbraw/zinc/34/93/11/192349311.db2.gz QFGXUHQSKKSMGR-CABCVRRESA-N 0 1 313.419 1.550 10 0 DDAEMN Cc1cc(N)c(S(=O)(=O)N(C)C[C@H]2CCCN2C)cc1C ZINC000092622039 185329651 /nfs/dbraw/zinc/32/96/51/185329651.db2.gz KZKYVNRPVOTECV-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN CCc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN2C)cc1N ZINC000092622561 185330058 /nfs/dbraw/zinc/33/00/58/185330058.db2.gz MZSMXVIEJDEZFV-CYBMUJFWSA-N 0 1 311.451 1.546 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cnccc1Cl ZINC000092627821 185330570 /nfs/dbraw/zinc/33/05/70/185330570.db2.gz QDMSENWEJWAGCI-SNVBAGLBSA-N 0 1 303.815 1.450 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCSc2ccccc21 ZINC000092781436 185340039 /nfs/dbraw/zinc/34/00/39/185340039.db2.gz SSLOCKVGOIIVOH-NSHDSACASA-N 0 1 300.387 1.563 10 0 DDAEMN CN[C@H](C[S@@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036531 192396834 /nfs/dbraw/zinc/39/68/34/192396834.db2.gz DEYGORJQVFESAG-ZUOKHONESA-N 0 1 301.408 1.359 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2ccc(O)cc2)C[C@H]1CC ZINC000133832146 186013141 /nfs/dbraw/zinc/01/31/41/186013141.db2.gz XKBMJWNBQGQOJO-MRXNPFEDSA-N 0 1 320.433 1.894 10 0 DDAEMN COC[C@@H](O)CN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000171973286 198019652 /nfs/dbraw/zinc/01/96/52/198019652.db2.gz TYJYBRCFWLZVOV-ZDUSSCGKSA-N 0 1 305.378 1.266 10 0 DDAEMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSCC(=O)[O-] ZINC000309870914 354475434 /nfs/dbraw/zinc/47/54/34/354475434.db2.gz GQFBCIOCZYMUAD-GFCCVEGCSA-N 0 1 310.419 1.441 10 0 DDAEMN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCN2C ZINC000074839172 191370643 /nfs/dbraw/zinc/37/06/43/191370643.db2.gz YRMNVBPFDWTSMU-UHFFFAOYSA-N 0 1 306.391 1.820 10 0 DDAEMN COc1cc(NS(C)(=O)=O)c(OC)cc1Br ZINC000005729298 181277670 /nfs/dbraw/zinc/27/76/70/181277670.db2.gz HQERZFXNFAYPHX-UHFFFAOYSA-N 0 1 310.169 1.838 10 0 DDAEMN C[C@H](C[S@](C)=O)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000184758117 199761071 /nfs/dbraw/zinc/76/10/71/199761071.db2.gz VDHSHZRTZALPSU-YLGBZRSBSA-N 0 1 311.451 1.356 10 0 DDAEMN Cc1oc(C)c(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)c1CN ZINC000088960850 192669958 /nfs/dbraw/zinc/66/99/58/192669958.db2.gz GRXNXCAWMOWNHU-IUCAKERBSA-N 0 1 302.396 1.153 10 0 DDAEMN O=C1N(Cc2cc(Br)cs2)C[C@@H]2CNCCN12 ZINC000091751128 193102109 /nfs/dbraw/zinc/10/21/09/193102109.db2.gz XXEVCYCWVTTYQA-VIFPVBQESA-N 0 1 316.224 1.720 10 0 DDAEMN Cn1cc(CNCc2cnc3cnc(Br)cn23)cn1 ZINC000092049698 193148756 /nfs/dbraw/zinc/14/87/56/193148756.db2.gz ISZYSWASYSQEDK-UHFFFAOYSA-N 0 1 321.182 1.515 10 0 DDAEMN Cn1cc(O[C@@H]2CN(Cc3cc4ccccc4o3)C[C@H]2O)cn1 ZINC000625623951 367056409 /nfs/dbraw/zinc/05/64/09/367056409.db2.gz CDRQATOTFLFYSP-NVXWUHKLSA-N 0 1 313.357 1.790 10 0 DDAEMN CC(C)(CNCc1ccc2c(c1)OCCCO2)S(C)(=O)=O ZINC000093523217 193262654 /nfs/dbraw/zinc/26/26/54/193262654.db2.gz ZTYNQXYQNLXBOH-UHFFFAOYSA-N 0 1 313.419 1.761 10 0 DDAEMN Cc1cc(C)c(C(N)=S)c(NCC(C)(C)S(C)(=O)=O)n1 ZINC000093534591 193266409 /nfs/dbraw/zinc/26/64/09/193266409.db2.gz BUMVKNZLGDGPSX-UHFFFAOYSA-N 0 1 315.464 1.568 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853726 193319630 /nfs/dbraw/zinc/31/96/30/193319630.db2.gz LXVHIYMPFPNTPX-QPUJVOFHSA-N 0 1 316.452 1.509 10 0 DDAEMN Cc1cscc1C(=O)N1CCC[C@H]1C(=O)N1CCNCC1 ZINC000094248278 193354839 /nfs/dbraw/zinc/35/48/39/193354839.db2.gz COEQDHMSLMPLBA-ZDUSSCGKSA-N 0 1 307.419 1.093 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000094360529 193365767 /nfs/dbraw/zinc/36/57/67/193365767.db2.gz FCYLYBWTXDCCBI-LBPRGKRZSA-N 0 1 315.414 1.431 10 0 DDAEMN CC(C)NCc1ncnn1[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644058 193389661 /nfs/dbraw/zinc/38/96/61/193389661.db2.gz YUQIKYGANYUZBS-RYUDHWBXSA-N 0 1 300.428 1.304 10 0 DDAEMN CCCn1cc(S(=O)(=O)Nc2ccc(C)nc2C)c(N)n1 ZINC000094663898 193390856 /nfs/dbraw/zinc/39/08/56/193390856.db2.gz NYYZXOMNPUQRCQ-UHFFFAOYSA-N 0 1 309.395 1.688 10 0 DDAEMN C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094441864 193369417 /nfs/dbraw/zinc/36/94/17/193369417.db2.gz KPVKSWQSNCTPDO-TUAOUCFPSA-N 0 1 313.423 1.125 10 0 DDAEMN CSc1cccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)c1 ZINC000021060052 182263775 /nfs/dbraw/zinc/26/37/75/182263775.db2.gz CQJBCAHZTWGSCU-NSHDSACASA-N 0 1 302.421 1.109 10 0 DDAEMN CCO[C@H]1C[C@H](N(C)CC(=O)NC2CCOCC2)C12CCCC2 ZINC000121154352 248273955 /nfs/dbraw/zinc/27/39/55/248273955.db2.gz KPWALMYABMPEJV-HOTGVXAUSA-N 0 1 324.465 1.951 10 0 DDAEMN CCN1CCC[C@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000040502797 183084409 /nfs/dbraw/zinc/08/44/09/183084409.db2.gz FBUONDPUDGMFDX-DZGCQCFKSA-N 0 1 308.447 1.979 10 0 DDAEMN [NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)cc1 ZINC000040739072 183127162 /nfs/dbraw/zinc/12/71/62/183127162.db2.gz WXOPIFVAFZLUQE-UHFFFAOYSA-N 0 1 306.387 1.481 10 0 DDAEMN COCCNC(=O)[C@@H](C)NCc1ccc(Br)cc1 ZINC000042240124 183245434 /nfs/dbraw/zinc/24/54/34/183245434.db2.gz QJQIVWMEQRKFTH-SNVBAGLBSA-N 0 1 315.211 1.690 10 0 DDAEMN O=C([O-])C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000042162437 183237419 /nfs/dbraw/zinc/23/74/19/183237419.db2.gz SHTROUPMKKZWOE-CYBMUJFWSA-N 0 1 310.781 1.895 10 0 DDAEMN CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(CN)s1 ZINC000042594170 183289850 /nfs/dbraw/zinc/28/98/50/183289850.db2.gz DUVDWQKATIIMRQ-JTQLQIEISA-N 0 1 306.453 1.642 10 0 DDAEMN NC(=O)c1ccsc1NC(=O)[C@@H]1NCCc2ccccc21 ZINC000043595800 183374663 /nfs/dbraw/zinc/37/46/63/183374663.db2.gz WFVQQQJXDRNFLG-GFCCVEGCSA-N 0 1 301.371 1.673 10 0 DDAEMN COc1cccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000105211546 194085689 /nfs/dbraw/zinc/08/56/89/194085689.db2.gz PHLUXPCNSJVHEQ-CQSZACIVSA-N 0 1 304.394 1.470 10 0 DDAEMN Cc1ccc(N2CCCN([C@@H](C)C(=O)NC(C)(C)C)CC2)nn1 ZINC000105801158 194131397 /nfs/dbraw/zinc/13/13/97/194131397.db2.gz QHODMWOZZBXRLO-AWEZNQCLSA-N 0 1 319.453 1.600 10 0 DDAEMN CSc1cccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000105932835 194173490 /nfs/dbraw/zinc/17/34/90/194173490.db2.gz AMZDYPKNWWEVQW-OCCSQVGLSA-N 0 1 323.462 1.656 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000109466529 194266495 /nfs/dbraw/zinc/26/64/95/194266495.db2.gz PIGGIERTMZWVLH-SNVBAGLBSA-N 0 1 310.398 1.650 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2cccnc2)CC1 ZINC000109463380 194265488 /nfs/dbraw/zinc/26/54/88/194265488.db2.gz PHJFXMGWNWMSKN-CYBMUJFWSA-N 0 1 306.435 1.294 10 0 DDAEMN CC[N@H+](CC(=O)N1CCc2sccc2C1)C[C@@H](C)C(=O)[O-] ZINC000061218994 184166311 /nfs/dbraw/zinc/16/63/11/184166311.db2.gz GFOSVJGKSJPHID-LLVKDONJSA-N 0 1 310.419 1.675 10 0 DDAEMN COC[C@@H](C)NC(=O)CNCc1ccccc1C(F)(F)F ZINC000061626590 184179037 /nfs/dbraw/zinc/17/90/37/184179037.db2.gz SSXZYZCKWSHCKT-SNVBAGLBSA-N 0 1 304.312 1.946 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000062965220 184263173 /nfs/dbraw/zinc/26/31/73/184263173.db2.gz GIZAPOIHNKRYRW-JTQLQIEISA-N 0 1 303.815 1.247 10 0 DDAEMN O=S(=O)(NCC[C@H]1CCOC12CN(C1CCC1)C2)C1CC1 ZINC000247329299 257120138 /nfs/dbraw/zinc/12/01/38/257120138.db2.gz OHBJPNLMGHUSGP-LBPRGKRZSA-N 0 1 314.451 1.102 10 0 DDAEMN COCCN1CCN([C@H](C)Cc2ccc(F)cc2)CCC1=O ZINC000014992303 406878733 /nfs/dbraw/zinc/87/87/33/406878733.db2.gz AWLUQCSWUWKGIK-CQSZACIVSA-N 0 1 308.397 1.937 10 0 DDAEMN CC1CCN(C(=O)CN2CCC(Cn3cccn3)CC2)CC1 ZINC000090473183 407168356 /nfs/dbraw/zinc/16/83/56/407168356.db2.gz GSYXBCWYKNPJRW-UHFFFAOYSA-N 0 1 304.438 1.854 10 0 DDAEMN CCCN1CCO[C@H](CCNC(=O)c2cc3ccccn3n2)C1 ZINC000067756159 407283622 /nfs/dbraw/zinc/28/36/22/407283622.db2.gz HNOQWWDAHXLNGT-OAHLLOKOSA-N 0 1 316.405 1.565 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N(C)C3CC3)C2)n1 ZINC000105885517 407356660 /nfs/dbraw/zinc/35/66/60/407356660.db2.gz BBFCTKKCZVLSEI-AWEZNQCLSA-N 0 1 305.426 1.228 10 0 DDAEMN COc1ccccc1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113305806 407492584 /nfs/dbraw/zinc/49/25/84/407492584.db2.gz BYPRHHZAXFJOBU-CHWSQXEVSA-N 0 1 310.419 1.552 10 0 DDAEMN CCOc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)cc1 ZINC000224285329 407575658 /nfs/dbraw/zinc/57/56/58/407575658.db2.gz YRBWMNGRQLIWHQ-UHFFFAOYSA-N 0 1 309.347 1.685 10 0 DDAEMN CCOCC[NH+]1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@H]1CC ZINC000152719912 407675614 /nfs/dbraw/zinc/67/56/14/407675614.db2.gz CTEFIHCDXZMJED-OAHLLOKOSA-N 0 1 311.470 1.430 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]1 ZINC000171547509 407700213 /nfs/dbraw/zinc/70/02/13/407700213.db2.gz LYALDIQCWJOCAH-JTQLQIEISA-N 0 1 309.370 1.699 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168706 407756714 /nfs/dbraw/zinc/75/67/14/407756714.db2.gz ANYKVZDFMVTMHV-IINYFYTJSA-N 0 1 310.369 1.765 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000262203461 407762511 /nfs/dbraw/zinc/76/25/11/407762511.db2.gz NHTDHNOMROIAMF-STQMWFEESA-N 0 1 308.378 1.547 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000262244257 407772546 /nfs/dbraw/zinc/77/25/46/407772546.db2.gz IBCMFOBYDHNDJS-LBPRGKRZSA-N 0 1 311.451 1.823 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000262220239 407768809 /nfs/dbraw/zinc/76/88/09/407768809.db2.gz FPVZABPAFUDDHF-VIFPVBQESA-N 0 1 308.712 1.531 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cc(F)cc(Br)c1 ZINC000262315867 407797204 /nfs/dbraw/zinc/79/72/04/407797204.db2.gz PSZAJJMCKHOZGL-SNVBAGLBSA-N 0 1 305.147 1.178 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CCC(C)(C)C)C1 ZINC000262458092 407840284 /nfs/dbraw/zinc/84/02/84/407840284.db2.gz ISCACZOHPWMKTH-UHFFFAOYSA-N 0 1 320.455 1.280 10 0 DDAEMN Cc1nc([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n[nH]1 ZINC000180111741 407856521 /nfs/dbraw/zinc/85/65/21/407856521.db2.gz OCMXSXHPGBXYQB-INIZCTEOSA-N 0 1 312.373 1.962 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000262525147 407857591 /nfs/dbraw/zinc/85/75/91/407857591.db2.gz LFSFAXUNCBJZFA-CYBMUJFWSA-N 0 1 305.378 1.143 10 0 DDAEMN CC(C)OCCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262734269 407912330 /nfs/dbraw/zinc/91/23/30/407912330.db2.gz VECFVDYHYDVLOQ-UHFFFAOYSA-N 0 1 312.410 1.245 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(C[C@H](O)CC)CC1 ZINC000173459674 407880441 /nfs/dbraw/zinc/88/04/41/407880441.db2.gz PLZRNHMZRAKWNG-SJORKVTESA-N 0 1 320.433 1.679 10 0 DDAEMN CCO[C@H]1C[C@@H](NCc2cc(C(N)=O)co2)C12CCOCC2 ZINC000187711683 407881886 /nfs/dbraw/zinc/88/18/86/407881886.db2.gz LORFQPXORRQZEP-KGLIPLIRSA-N 0 1 308.378 1.442 10 0 DDAEMN CCOc1ccccc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262724153 407911115 /nfs/dbraw/zinc/91/11/15/407911115.db2.gz RHUVLLAUKWQGPV-UHFFFAOYSA-N 0 1 320.389 1.753 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000174093180 407914585 /nfs/dbraw/zinc/91/45/85/407914585.db2.gz DHIOKQXJDTVCLF-IAGOWNOFSA-N 0 1 322.449 1.123 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)o1 ZINC000245792779 408069081 /nfs/dbraw/zinc/06/90/81/408069081.db2.gz WMCMQQPZFMMXAO-UONOGXRCSA-N 0 1 324.421 1.733 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccccc3)CCO2)n[nH]1 ZINC000175287127 408097153 /nfs/dbraw/zinc/09/71/53/408097153.db2.gz TWSUPBIKDLHESL-CYBMUJFWSA-N 0 1 301.350 1.396 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3cccc(C)c3)CCO2)n[nH]1 ZINC000175356933 408112964 /nfs/dbraw/zinc/11/29/64/408112964.db2.gz AYWSCPJYCXWQOU-AWEZNQCLSA-N 0 1 315.377 1.705 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccccc2)C1 ZINC000263508449 408159461 /nfs/dbraw/zinc/15/94/61/408159461.db2.gz XXNVTYMHEYZJKO-UHFFFAOYSA-N 0 1 319.405 1.766 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccnc3ccncc32)C1 ZINC000263542463 408167283 /nfs/dbraw/zinc/16/72/83/408167283.db2.gz DTQFHJDNKNCMNO-UHFFFAOYSA-N 0 1 300.362 1.979 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(NCC3CC3)ncn2)C1 ZINC000263546586 408170204 /nfs/dbraw/zinc/17/02/04/408170204.db2.gz HLBVAUGBSNUDLR-UHFFFAOYSA-N 0 1 319.409 1.648 10 0 DDAEMN C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246432435 408257318 /nfs/dbraw/zinc/25/73/18/408257318.db2.gz AZRNIWXOZIYRCH-GOEBONIOSA-N 0 1 303.406 1.936 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@H](COC)C2CC2)CCN1CCOC ZINC000246273303 408200014 /nfs/dbraw/zinc/20/00/14/408200014.db2.gz MRCVNVDFEUMGMP-LSDHHAIUSA-N 0 1 313.442 1.164 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000150972068 408234987 /nfs/dbraw/zinc/23/49/87/408234987.db2.gz FRMQVRJMLQTMLC-STQMWFEESA-N 0 1 305.426 1.666 10 0 DDAEMN CCCN(CCC)C(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246550683 408289096 /nfs/dbraw/zinc/28/90/96/408289096.db2.gz UAHADLVYCQVFEZ-HOTGVXAUSA-N 0 1 311.470 1.288 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000190624728 408290566 /nfs/dbraw/zinc/29/05/66/408290566.db2.gz KOVJFKUVAZQWQZ-INIZCTEOSA-N 0 1 318.421 1.288 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1F ZINC000246766988 408336670 /nfs/dbraw/zinc/33/66/70/408336670.db2.gz ATQANGXWUHREGG-OLZOCXBDSA-N 0 1 312.410 1.991 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)C(=O)N3CCC(C)CC3)CCO2)n[nH]1 ZINC000246820622 408347490 /nfs/dbraw/zinc/34/74/90/408347490.db2.gz CFZZRBNWQIKNHY-OCCSQVGLSA-N 0 1 321.425 1.133 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000136309038 162118225 /nfs/dbraw/zinc/11/82/25/162118225.db2.gz LRFFBDQZCQPIJE-ZDUSSCGKSA-N 0 1 324.425 1.734 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000139554208 162132268 /nfs/dbraw/zinc/13/22/68/162132268.db2.gz SEQZIDYSUDYICQ-CJNGLKHVSA-N 0 1 306.410 1.671 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC(CC)CC)CCO2)n[nH]1 ZINC000141450970 162133954 /nfs/dbraw/zinc/13/39/54/162133954.db2.gz RTHKECVBWNEODH-GFCCVEGCSA-N 0 1 309.414 1.886 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(CO)c1 ZINC000171618799 162229199 /nfs/dbraw/zinc/22/91/99/162229199.db2.gz OZVQRRYHUWNXGX-SFHVURJKSA-N 0 1 312.413 1.968 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1cscn1 ZINC000171976953 162250896 /nfs/dbraw/zinc/25/08/96/162250896.db2.gz UWSWCSXNNJIBJA-HNNXBMFYSA-N 0 1 303.431 1.975 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000173461132 162340626 /nfs/dbraw/zinc/34/06/26/162340626.db2.gz QAUHCWPCKLUDHK-JKSUJKDBSA-N 0 1 313.486 1.268 10 0 DDAEMN Cc1nc([C@@H]2CN(S(=O)(=O)CCC(C)(C)C)CCO2)n[nH]1 ZINC000173734083 162360438 /nfs/dbraw/zinc/36/04/38/162360438.db2.gz LHGYGFPLLQINJS-NSHDSACASA-N 0 1 316.427 1.252 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc(N(C)C)c3)CCO2)n[nH]1 ZINC000173755901 162363033 /nfs/dbraw/zinc/36/30/33/162363033.db2.gz FNBZPNZLRWYUEJ-AWEZNQCLSA-N 0 1 315.377 1.393 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc4[nH]ccc43)CCO2)n[nH]1 ZINC000176473151 408375346 /nfs/dbraw/zinc/37/53/46/408375346.db2.gz HGVAMSZQCKWRQH-AWEZNQCLSA-N 0 1 311.345 1.808 10 0 DDAEMN CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H]2c2ccco2)CC1 ZINC000247060710 408399665 /nfs/dbraw/zinc/39/96/65/408399665.db2.gz PCXAGGXTSUDRPD-CABCVRRESA-N 0 1 305.422 1.969 10 0 DDAEMN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1nn[nH]n1 ZINC000183429928 408411433 /nfs/dbraw/zinc/41/14/33/408411433.db2.gz MANGGUANISGKLY-IEBDPFPHSA-N 0 1 321.331 1.844 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000247150365 408417215 /nfs/dbraw/zinc/41/72/15/408417215.db2.gz LMSOTTNLIWNUII-HOTGVXAUSA-N 0 1 319.449 1.032 10 0 DDAEMN CCOCCN1CCN(CC(=O)N[C@H](C)C(C)C)C[C@H]1CC ZINC000247161768 408418503 /nfs/dbraw/zinc/41/85/03/408418503.db2.gz MJLNHPNTJPVHCR-HZPDHXFCSA-N 0 1 313.486 1.580 10 0 DDAEMN Cc1noc([C@@H]2COCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 ZINC000183761442 408483648 /nfs/dbraw/zinc/48/36/48/408483648.db2.gz UODICHRPESWGCU-LBPRGKRZSA-N 0 1 305.338 1.438 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccs2)CCN1C[C@H](C)O ZINC000248376127 408553734 /nfs/dbraw/zinc/55/37/34/408553734.db2.gz ZNAUXVFTQPYPDO-STQMWFEESA-N 0 1 311.451 1.735 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(C)c2)CCN1C[C@H](C)O ZINC000248462690 408574775 /nfs/dbraw/zinc/57/47/75/408574775.db2.gz WPRPCYBVYYFGFF-DOTOQJQBSA-N 0 1 319.449 1.982 10 0 DDAEMN C[C@@H](C[S@@](C)=O)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000161870673 408647409 /nfs/dbraw/zinc/64/74/09/408647409.db2.gz RFOKTUVDSJLHQV-RBZFPXEDSA-N 0 1 300.443 1.956 10 0 DDAEMN CN(CC1CC1)C(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249559737 408742866 /nfs/dbraw/zinc/74/28/66/408742866.db2.gz LFDYHCLKCLUMSM-LSDHHAIUSA-N 0 1 308.447 1.624 10 0 DDAEMN CO[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000276482080 408867673 /nfs/dbraw/zinc/86/76/73/408867673.db2.gz SBYLWSJLWVSBLS-WBVHZDCISA-N 0 1 304.390 1.183 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1F ZINC000190341531 163137253 /nfs/dbraw/zinc/13/72/53/163137253.db2.gz OIUBVYOBKWCOFY-CHWSQXEVSA-N 0 1 319.380 1.849 10 0 DDAEMN COCCN1CCCN(C[C@@](C)(O)c2ccccc2)CC1=O ZINC000190784141 163158064 /nfs/dbraw/zinc/15/80/64/163158064.db2.gz ZCQNFXZBQSMJFR-QGZVFWFLSA-N 0 1 306.406 1.075 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000192045047 163214891 /nfs/dbraw/zinc/21/48/91/163214891.db2.gz MINYVSSBVPBIIF-KGLIPLIRSA-N 0 1 300.443 1.495 10 0 DDAEMN O=C(CSCC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000195188615 163312151 /nfs/dbraw/zinc/31/21/51/163312151.db2.gz IALOFEOFWWMQLQ-HNNXBMFYSA-N 0 1 318.442 1.909 10 0 DDAEMN CC(C)n1cc([C@@]2(O)CC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000285391218 409423580 /nfs/dbraw/zinc/42/35/80/409423580.db2.gz FHSNLPZFELUXRC-QGZVFWFLSA-N 0 1 300.406 1.995 10 0 DDAEMN CCc1nc([C@@H]2CN(c3nc(C)nc(C)c3C)CCO2)n[nH]1 ZINC000301712660 410780200 /nfs/dbraw/zinc/78/02/00/410780200.db2.gz LGHYLHCRDVEVKF-LBPRGKRZSA-N 0 1 302.382 1.660 10 0 DDAEMN CC(C)c1nc(N(C)C)nc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000301912277 410825974 /nfs/dbraw/zinc/82/59/74/410825974.db2.gz GWMCRBXPAZQMGK-CYBMUJFWSA-N 0 1 304.442 1.736 10 0 DDAEMN CN1CCO[C@@H](CN[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000132992388 196302880 /nfs/dbraw/zinc/30/28/80/196302880.db2.gz BANDJCANUUXILU-LSDHHAIUSA-N 0 1 323.824 1.366 10 0 DDAEMN C[C@@](C[NH3+])([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CC1 ZINC000133767909 196336004 /nfs/dbraw/zinc/33/60/04/196336004.db2.gz BJNOSTHSGRNMJU-LBPRGKRZSA-N 0 1 308.325 1.510 10 0 DDAEMN C/C=C\CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649619 422240399 /nfs/dbraw/zinc/24/03/99/422240399.db2.gz KKRZKINWTDTVPD-PZGMIKLFSA-N 0 1 302.374 1.797 10 0 DDAEMN C/C=C\CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649619 422240403 /nfs/dbraw/zinc/24/04/03/422240403.db2.gz KKRZKINWTDTVPD-PZGMIKLFSA-N 0 1 302.374 1.797 10 0 DDAEMN CO[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC000634694942 422553407 /nfs/dbraw/zinc/55/34/07/422553407.db2.gz NCYMZAIKBSLIGX-HLLBOEOZSA-N 0 1 323.389 1.128 10 0 DDAEMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116314853 274384179 /nfs/dbraw/zinc/38/41/79/274384179.db2.gz QWQCNBXHJQLIPL-KFWWJZLASA-N 0 1 304.438 1.714 10 0 DDAEMN COc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1COCCN1 ZINC000262037324 277950382 /nfs/dbraw/zinc/95/03/82/277950382.db2.gz FTYLIEZWGACCFL-CZUORRHYSA-N 0 1 304.390 1.567 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000163030872 280999812 /nfs/dbraw/zinc/99/98/12/280999812.db2.gz GYWKDIPVILDXME-RDJZCZTQSA-N 0 1 320.433 1.598 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000246672572 282006312 /nfs/dbraw/zinc/00/63/12/282006312.db2.gz AIFWNMVPFHMLOK-DOTOQJQBSA-N 0 1 304.434 1.841 10 0 DDAEMN Cc1noc([C@]2(O)CCN(CCc3ccc(F)c(F)c3)C2)n1 ZINC000375941245 307234704 /nfs/dbraw/zinc/23/47/04/307234704.db2.gz KCTKBXSGPMHFFB-HNNXBMFYSA-N 0 1 309.316 1.792 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000170873777 697351243 /nfs/dbraw/zinc/35/12/43/697351243.db2.gz UHUCYBGCFIBHSS-OAHLLOKOSA-N 0 1 306.431 1.939 10 0 DDAEMN CCOCCN1CCN(CC(=O)OCC(C)C)C[C@@H]1CC ZINC000181451500 697460752 /nfs/dbraw/zinc/46/07/52/697460752.db2.gz HPZOSEIPTLAPQW-HNNXBMFYSA-N 0 1 300.443 1.618 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(-n2ccc(=O)cc2)nc1)N(C)C ZINC000185202807 697515128 /nfs/dbraw/zinc/51/51/28/697515128.db2.gz BJTCKKAAHCUVSJ-HNNXBMFYSA-N 0 1 314.389 1.901 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188412736 697558824 /nfs/dbraw/zinc/55/88/24/697558824.db2.gz KEBNPTNDWJYRGY-CYBMUJFWSA-N 0 1 314.393 1.382 10 0 DDAEMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H]1CCCO[C@H]1C ZINC000192194558 697622407 /nfs/dbraw/zinc/62/24/07/697622407.db2.gz LCWCNHPTEGUALV-MELADBBJSA-N 0 1 310.394 1.442 10 0 DDAEMN C[C@H](NCC(=O)N1CCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192481992 697630314 /nfs/dbraw/zinc/63/03/14/697630314.db2.gz PALRXXQFJUIAJC-STQMWFEESA-N 0 1 320.389 1.356 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccnc1Cl ZINC000252662327 698403342 /nfs/dbraw/zinc/40/33/42/698403342.db2.gz XMZVHXVIDBKEJX-MNOVXSKESA-N 0 1 315.826 1.592 10 0 DDAEMN CC[C@@H]1CCC[C@H](CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000263536740 698512312 /nfs/dbraw/zinc/51/23/12/698512312.db2.gz ZQUJIZRBNLLTLE-OWCLPIDISA-N 0 1 312.454 1.920 10 0 DDAEMN O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cnc[nH]2)C1 ZINC000818251509 702617118 /nfs/dbraw/zinc/61/71/18/702617118.db2.gz KLNMTKQXNILQOO-OAHLLOKOSA-N 0 1 303.366 1.240 10 0 DDAEMN COCc1ccc(CN2CCC[C@](O)(Cc3nncn3C)C2)o1 ZINC000886088647 708696105 /nfs/dbraw/zinc/69/61/05/708696105.db2.gz MGTGRDWCHYZRHK-INIZCTEOSA-N 0 1 320.393 1.124 10 0 DDAEMN COc1ncc([C@@H](C)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1Cl ZINC000886097358 708697610 /nfs/dbraw/zinc/69/76/10/708697610.db2.gz WGDKSLLXZMEKSN-GJQVQUKXSA-N 0 1 322.796 1.965 10 0 DDAEMN CN1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000900086494 709284572 /nfs/dbraw/zinc/28/45/72/709284572.db2.gz PVAPDFKMSJMZKM-GVAFYICXSA-N 0 1 308.344 1.679 10 0 DDAEMN Cc1ccc(CO[C@@H](C)C(=O)N2CCC[C@H]2c2nn[nH]n2)cc1 ZINC000900390056 709569266 /nfs/dbraw/zinc/56/92/66/709569266.db2.gz ZVUOLOWWGNLPFQ-JSGCOSHPSA-N 0 1 315.377 1.777 10 0 DDAEMN C[S@](=N)(=O)c1ccc(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000910486728 709968589 /nfs/dbraw/zinc/96/85/89/709968589.db2.gz PJJYOJONGZWHMP-RGDDPNHNSA-N 0 1 323.418 1.524 10 0 DDAEMN O=C([O-])CC[C@H](NC(=O)[C@H]1CSC[NH2+]1)c1ccc(F)cc1 ZINC000074599548 185001130 /nfs/dbraw/zinc/00/11/30/185001130.db2.gz CJQQKMCYDKDZKQ-NWDGAFQWSA-N 0 1 312.366 1.510 10 0 DDAEMN CCC[C@H]1CCCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC1 ZINC000079340475 185165964 /nfs/dbraw/zinc/16/59/64/185165964.db2.gz ORGFFVQWXCWXCP-STQMWFEESA-N 0 1 304.456 1.177 10 0 DDAEMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cncc(F)c2)cc1 ZINC000082356142 185177485 /nfs/dbraw/zinc/17/74/85/185177485.db2.gz LLMXYXMMTYZSJZ-UHFFFAOYSA-N 0 1 309.322 1.980 10 0 DDAEMN CN1CCN(c2ccc(Nc3ncnc4n[nH]cc43)cc2)CC1 ZINC000082359433 185177701 /nfs/dbraw/zinc/17/77/01/185177701.db2.gz ORCIPIISZNTYJK-UHFFFAOYSA-N 0 1 309.377 1.848 10 0 DDAEMN COc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl ZINC000087545630 185228068 /nfs/dbraw/zinc/22/80/68/185228068.db2.gz HXLLVCGNFMMQFA-UHFFFAOYSA-N 0 1 315.782 1.593 10 0 DDAEMN N[C@@H](c1sccc1Br)[C@@H]1CN2CCN1CC2 ZINC000087570644 185228437 /nfs/dbraw/zinc/22/84/37/185228437.db2.gz AMHDPQZLIRNVRF-VHSXEESVSA-N 0 1 302.241 1.510 10 0 DDAEMN CNCc1nnc(-n2cc(I)cn2)s1 ZINC000087698637 185230806 /nfs/dbraw/zinc/23/08/06/185230806.db2.gz VBSICYAYFHAPER-UHFFFAOYSA-N 0 1 321.147 1.048 10 0 DDAEMN CCCCS(=O)(=O)C[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000081973977 192347698 /nfs/dbraw/zinc/34/76/98/192347698.db2.gz AOAGNTSJPVHZJO-GFCCVEGCSA-N 0 1 301.408 1.919 10 0 DDAEMN CCCc1ccc([C@@H](N)CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081974813 192347792 /nfs/dbraw/zinc/34/77/92/192347792.db2.gz KNSWAEHYPACBAA-AWEZNQCLSA-N 0 1 313.419 1.617 10 0 DDAEMN C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182187419 539239155 /nfs/dbraw/zinc/23/91/55/539239155.db2.gz SWUWXWBFRGXDBA-GFCCVEGCSA-N 0 1 324.446 1.609 10 0 DDAEMN CC1(C)C[NH2+]CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000088138762 185240311 /nfs/dbraw/zinc/24/03/11/185240311.db2.gz AAJFXGWIQKEJJV-UHFFFAOYSA-N 0 1 313.195 1.979 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1 ZINC000081974904 192348586 /nfs/dbraw/zinc/34/85/86/192348586.db2.gz CAMDTOJUJFECMQ-AWEZNQCLSA-N 0 1 313.419 1.624 10 0 DDAEMN CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(CNC)o1 ZINC000088544337 185256760 /nfs/dbraw/zinc/25/67/60/185256760.db2.gz SHBHQMSLVVCKDR-NSHDSACASA-N 0 1 304.412 1.435 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2CCc3ccccc3C2)o1 ZINC000088543570 185256915 /nfs/dbraw/zinc/25/69/15/185256915.db2.gz SIVCSZKYXJSIRT-UHFFFAOYSA-N 0 1 306.387 1.746 10 0 DDAEMN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C=O)o2)C1 ZINC000088541611 185255926 /nfs/dbraw/zinc/25/59/26/185255926.db2.gz ZOLULGJBOMAIJB-LLVKDONJSA-N 0 1 300.380 1.197 10 0 DDAEMN CN[C@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCCOC ZINC000081986289 192348972 /nfs/dbraw/zinc/34/89/72/192348972.db2.gz KOWQIQBATULSMM-DOMZBBRYSA-N 0 1 315.435 1.796 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000082004580 192353279 /nfs/dbraw/zinc/35/32/79/192353279.db2.gz UMOUKPQWLXZPQX-QMTHXVAHSA-N 0 1 315.391 1.061 10 0 DDAEMN CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1ccccc1 ZINC000090700281 185310524 /nfs/dbraw/zinc/31/05/24/185310524.db2.gz YJSLZXBTYSIAKI-ZDUSSCGKSA-N 0 1 314.476 1.744 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622680 185329858 /nfs/dbraw/zinc/32/98/58/185329858.db2.gz QUYISMJAOBAGEM-CYBMUJFWSA-N 0 1 315.414 1.513 10 0 DDAEMN Cc1ncc(CN2CCN(C(=O)Cc3ccn[nH]3)CC2)s1 ZINC000173287421 186172107 /nfs/dbraw/zinc/17/21/07/186172107.db2.gz NRZYHPFIFSLZBR-UHFFFAOYSA-N 0 1 305.407 1.062 10 0 DDAEMN Cc1ccc(CNC(=O)CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172802637 198151393 /nfs/dbraw/zinc/15/13/93/198151393.db2.gz LUWWSSDAEZSSKM-QGZVFWFLSA-N 0 1 301.434 1.781 10 0 DDAEMN COc1cccc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000173235766 198198641 /nfs/dbraw/zinc/19/86/41/198198641.db2.gz FZHUJCIPOTUOQM-CHWSQXEVSA-N 0 1 307.394 1.614 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n[nH]1 ZINC000173577990 198229918 /nfs/dbraw/zinc/22/99/18/198229918.db2.gz JCPOYISRFMDYCP-JTQLQIEISA-N 0 1 321.406 1.654 10 0 DDAEMN CC[C@@H]1CN(C(=O)COCc2ccccc2)CCN1C[C@@H](C)O ZINC000174612421 198358748 /nfs/dbraw/zinc/35/87/48/198358748.db2.gz GBCRRKZTOCOBLN-NVXWUHKLSA-N 0 1 320.433 1.507 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586279 192296859 /nfs/dbraw/zinc/29/68/59/192296859.db2.gz WRLFNJNHTUIMKT-MRVPVSSYSA-N 0 1 319.356 1.292 10 0 DDAEMN C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)N(C)C ZINC000081672935 192310579 /nfs/dbraw/zinc/31/05/79/192310579.db2.gz AZRRODQTOZYJLB-SSDOTTSWSA-N 0 1 312.222 1.617 10 0 DDAEMN CCc1nn(CC)c(C[C@@H](O)c2nnc[nH]2)c1Br ZINC000089357966 192773157 /nfs/dbraw/zinc/77/31/57/192773157.db2.gz ZKDBRUYSLSVXNJ-SECBINFHSA-N 0 1 314.187 1.622 10 0 DDAEMN C[C@@H](NCc1ccnc(N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000193476019 201058767 /nfs/dbraw/zinc/05/87/67/201058767.db2.gz MQXSDZXTDIBMJQ-LLVKDONJSA-N 0 1 305.403 1.918 10 0 DDAEMN OC1CC(NCc2cc3c(cc2Br)OCO3)C1 ZINC000091428720 193055406 /nfs/dbraw/zinc/05/54/06/193055406.db2.gz VGHDRZCCPNZNRO-UHFFFAOYSA-N 0 1 300.152 1.791 10 0 DDAEMN CN(CC(=O)Nc1cccc2nsnc21)CC1CC(O)C1 ZINC000091489704 193063414 /nfs/dbraw/zinc/06/34/14/193063414.db2.gz NDHQSFPMSBYGNJ-UHFFFAOYSA-N 0 1 306.391 1.333 10 0 DDAEMN CCn1cc(O[C@@H]2CN(CCOc3ccccc3)C[C@H]2O)cn1 ZINC000625620466 367053978 /nfs/dbraw/zinc/05/39/78/367053978.db2.gz UVZFMAVRTPQTIS-IAGOWNOFSA-N 0 1 317.389 1.406 10 0 DDAEMN O=C([O-])CC[NH+]1CCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092266442 193183338 /nfs/dbraw/zinc/18/33/38/193183338.db2.gz GTKOUCWDMDKHCW-AWEZNQCLSA-N 0 1 306.431 1.796 10 0 DDAEMN CC[N@@H+](CC(=O)[N-]C(=O)c1ccc(Cl)cc1)CC(C)(C)O ZINC000092982131 193191205 /nfs/dbraw/zinc/19/12/05/193191205.db2.gz SVFGYXUUIKBFMR-UHFFFAOYSA-N 0 1 312.797 1.689 10 0 DDAEMN C[C@H](Cc1cccs1)N(C)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000093288958 193225304 /nfs/dbraw/zinc/22/53/04/193225304.db2.gz RGJGKHJJADUVRU-ZWNOBZJWSA-N 0 1 304.419 1.575 10 0 DDAEMN O=C([O-])C[C@H]1CSCC[N@H+]1[C@@H]1CCOC2(CCOCC2)C1 ZINC000094383005 193368085 /nfs/dbraw/zinc/36/80/85/193368085.db2.gz FQGBFNACXOFCMV-OLZOCXBDSA-N 0 1 315.435 1.607 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@@H]1CCCCN1C ZINC000094779559 193397513 /nfs/dbraw/zinc/39/75/13/193397513.db2.gz ITPBSMNAXPKSTB-NSHDSACASA-N 0 1 315.414 1.479 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000020302940 182204502 /nfs/dbraw/zinc/20/45/02/182204502.db2.gz UCETVYTTXOVGHA-MRVPVSSYSA-N 0 1 303.284 1.639 10 0 DDAEMN [NH3+]Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000021009142 182259313 /nfs/dbraw/zinc/25/93/13/182259313.db2.gz QKODNZDEEWGFPX-UHFFFAOYSA-N 0 1 306.343 1.675 10 0 DDAEMN COc1cccc([C@H](Sc2nc(N)cc(=O)[n-]2)[C@@H](C)[NH3+])c1 ZINC000043033098 183331121 /nfs/dbraw/zinc/33/11/21/183331121.db2.gz CCAVDFUAJCXYCO-AMIZOPFISA-N 0 1 306.391 1.541 10 0 DDAEMN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CNCCO2)c1 ZINC000043708475 183382941 /nfs/dbraw/zinc/38/29/41/183382941.db2.gz LJQROQSISGKDME-LBPRGKRZSA-N 0 1 311.769 1.615 10 0 DDAEMN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(C(N)=O)cc1 ZINC000284740338 218157610 /nfs/dbraw/zinc/15/76/10/218157610.db2.gz UTCWGHHMHFTDSS-BRWVUGGUSA-N 0 1 318.417 1.801 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1F ZINC000105932593 194172519 /nfs/dbraw/zinc/17/25/19/194172519.db2.gz YVSYGVJPQPJKQM-GXTWGEPZSA-N 0 1 309.385 1.381 10 0 DDAEMN CN1CC[C@H](NC(=O)c2cc(N)c(F)cc2Br)C1 ZINC000061088712 184161247 /nfs/dbraw/zinc/16/12/47/184161247.db2.gz PZLUTUZYAJXFHE-ZETCQYMHSA-N 0 1 316.174 1.604 10 0 DDAEMN C[N@H+](CC(=O)NCCSc1ccccc1)C(C)(C)C(=O)[O-] ZINC000061172577 184164424 /nfs/dbraw/zinc/16/44/24/184164424.db2.gz UOYWSKHENGSOSM-UHFFFAOYSA-N 0 1 310.419 1.690 10 0 DDAEMN C[N@@H+](CC(=O)NCCSc1ccccc1)C(C)(C)C(=O)[O-] ZINC000061172577 184164425 /nfs/dbraw/zinc/16/44/25/184164425.db2.gz UOYWSKHENGSOSM-UHFFFAOYSA-N 0 1 310.419 1.690 10 0 DDAEMN NNc1ccc(Cl)c(Cn2ncc3ccccc3c2=O)n1 ZINC000061639187 184179860 /nfs/dbraw/zinc/17/98/60/184179860.db2.gz KNLTYXPRGRWZSJ-UHFFFAOYSA-N 0 1 301.737 1.779 10 0 DDAEMN CN1C(=O)C[C@H](NC[C@@H](O)c2cc(Cl)ccc2Cl)C1=O ZINC000116074850 194714043 /nfs/dbraw/zinc/71/40/43/194714043.db2.gz SJLYDMLSKPITIC-WDEREUQCSA-N 0 1 317.172 1.374 10 0 DDAEMN Cc1[nH]c2ccccc2c1C(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000155261179 197038130 /nfs/dbraw/zinc/03/81/30/197038130.db2.gz GSNUQBVEPYWAIT-CQSZACIVSA-N 0 1 315.417 1.921 10 0 DDAEMN C[C@H](CNC(=O)[C@H]1C[C@@H]1C1CCCCC1)N1CCN(C)CC1 ZINC000120556803 195190254 /nfs/dbraw/zinc/19/02/54/195190254.db2.gz WAIHHBFPWWPAQP-OIISXLGYSA-N 0 1 307.482 1.955 10 0 DDAEMN CCOCCN1CCN(Cc2c(C)nn(C)c2OC)C[C@@H]1C ZINC000120888620 195257535 /nfs/dbraw/zinc/25/75/35/195257535.db2.gz LQTQXSQNHHRGAO-ZDUSSCGKSA-N 0 1 310.442 1.280 10 0 DDAEMN COc1nccc(CNC(C)(C)CNC(=O)OC(C)(C)C)n1 ZINC000295411619 533234827 /nfs/dbraw/zinc/23/48/27/533234827.db2.gz NBLSPGCBWAMCRT-UHFFFAOYSA-N 0 1 310.398 1.878 10 0 DDAEMN O[C@H](CN1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCN2 ZINC000013366719 406861176 /nfs/dbraw/zinc/86/11/76/406861176.db2.gz MJNCZKZSTFPHTM-GOSISDBHSA-N 0 1 324.428 1.905 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1ccc(Cl)nc1 ZINC000038106257 406998910 /nfs/dbraw/zinc/99/89/10/406998910.db2.gz ZLWPUJXGZYZNEB-LLVKDONJSA-N 0 1 319.858 1.990 10 0 DDAEMN C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCO1 ZINC000048840510 407108346 /nfs/dbraw/zinc/10/83/46/407108346.db2.gz PLKPTGWXJJGPCA-CPCISQLKSA-N 0 1 309.309 1.950 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(F)nc3)CCO2)n[nH]1 ZINC000125779776 407398054 /nfs/dbraw/zinc/39/80/54/407398054.db2.gz UXZNMPGXQNGLKO-JTQLQIEISA-N 0 1 306.301 1.253 10 0 DDAEMN COc1ccc(CNC[C@H]2CN(C)CCO2)c(Cl)c1OC ZINC000113412599 407501411 /nfs/dbraw/zinc/50/14/11/407501411.db2.gz GFXDOQDBJYECBM-LBPRGKRZSA-N 0 1 314.813 1.777 10 0 DDAEMN COc1ccc(CNC[C@@H]2CN(C)CCO2)c(Cl)c1OC ZINC000113412596 407503572 /nfs/dbraw/zinc/50/35/72/407503572.db2.gz GFXDOQDBJYECBM-GFCCVEGCSA-N 0 1 314.813 1.777 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CCOCC1 ZINC000151534240 407454053 /nfs/dbraw/zinc/45/40/53/407454053.db2.gz PGTQESDOUCCTJM-INIZCTEOSA-N 0 1 320.433 1.065 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3cncs3)C2=O)n(C)n1 ZINC000178628254 407515912 /nfs/dbraw/zinc/51/59/12/407515912.db2.gz SEPGAQSOVMHJJH-GFCCVEGCSA-N 0 1 305.407 1.470 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000261556062 407541855 /nfs/dbraw/zinc/54/18/55/407541855.db2.gz VQBZDVPZWCLJOE-MRXNPFEDSA-N 0 1 314.385 1.856 10 0 DDAEMN O[C@H](COc1ccccc1F)CN1CCC[C@H](n2cncn2)C1 ZINC000171625649 407722981 /nfs/dbraw/zinc/72/29/81/407722981.db2.gz KXYRRJBVNAFTRA-KBPBESRZSA-N 0 1 320.368 1.494 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000262042635 407723275 /nfs/dbraw/zinc/72/32/75/407723275.db2.gz LMYNZWZKKNHFNJ-CQSZACIVSA-N 0 1 302.378 1.710 10 0 DDAEMN CCc1cc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)n[nH]1 ZINC000171335624 407661596 /nfs/dbraw/zinc/66/15/96/407661596.db2.gz GNVIISLNMOYBKE-LLVKDONJSA-N 0 1 303.366 1.758 10 0 DDAEMN O=C(c1ccc(OCC(F)F)nc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179133845 407732152 /nfs/dbraw/zinc/73/21/52/407732152.db2.gz AXXCTSAWRNWJLL-LBPRGKRZSA-N 0 1 311.332 1.646 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000236724565 407761660 /nfs/dbraw/zinc/76/16/60/407761660.db2.gz CPCFRSMNKZDYSS-ZBFHGGJFSA-N 0 1 303.406 1.594 10 0 DDAEMN O=S(=O)(c1cc(F)ccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000171770641 407765192 /nfs/dbraw/zinc/76/51/92/407765192.db2.gz LMUAYUKIYZLZRA-LLVKDONJSA-N 0 1 318.801 1.948 10 0 DDAEMN CC[C@@H](NC(=O)[C@H](N)COC)c1nc(C(F)(F)F)cs1 ZINC000262214677 407765579 /nfs/dbraw/zinc/76/55/79/407765579.db2.gz FFIVLIBBRMIOFU-RNFRBKRXSA-N 0 1 311.329 1.703 10 0 DDAEMN CC(C)[C@@H](O)CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179339114 407771007 /nfs/dbraw/zinc/77/10/07/407771007.db2.gz ABNNIZNMEKWOSE-STQMWFEESA-N 0 1 306.410 1.795 10 0 DDAEMN CC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1C ZINC000116786549 407776273 /nfs/dbraw/zinc/77/62/73/407776273.db2.gz SZPUOALRWROZTM-ZDUSSCGKSA-N 0 1 307.394 1.237 10 0 DDAEMN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C[C@H]1COCCN1 ZINC000262277165 407781758 /nfs/dbraw/zinc/78/17/58/407781758.db2.gz WPUPWUBUGUSVLA-HOTGVXAUSA-N 0 1 318.417 1.744 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000262271317 407782528 /nfs/dbraw/zinc/78/25/28/407782528.db2.gz KKJGEASJXOPUIZ-CHWSQXEVSA-N 0 1 322.796 1.253 10 0 DDAEMN C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000116978280 407802587 /nfs/dbraw/zinc/80/25/87/407802587.db2.gz VZBKOFGWZPZERM-CQSZACIVSA-N 0 1 314.385 1.948 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C ZINC000262341645 407805361 /nfs/dbraw/zinc/80/53/61/407805361.db2.gz FPRHJACRQIBVKJ-LLVKDONJSA-N 0 1 310.350 1.173 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000262342423 407806084 /nfs/dbraw/zinc/80/60/84/407806084.db2.gz SXMCTWGFIHCZDG-CZUORRHYSA-N 0 1 316.405 1.640 10 0 DDAEMN COc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000180114579 407856310 /nfs/dbraw/zinc/85/63/10/407856310.db2.gz UXHWEYPBSHAUEH-HNNXBMFYSA-N 0 1 318.377 1.704 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262737794 407912218 /nfs/dbraw/zinc/91/22/18/407912218.db2.gz CIOCHACFAQLEQH-IVZWLZJFSA-N 0 1 324.343 1.875 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)C2CCCCCC2)CCO1 ZINC000262963075 407986296 /nfs/dbraw/zinc/98/62/96/407986296.db2.gz QMYAAGJYQGLTSZ-CQSZACIVSA-N 0 1 312.410 1.201 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(C(C)C)CC2)CCN1C[C@@H](C)O ZINC000181940769 408056979 /nfs/dbraw/zinc/05/69/79/408056979.db2.gz QPVHPOOYNYCEDM-CABCVRRESA-N 0 1 311.470 1.909 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000245768148 408064259 /nfs/dbraw/zinc/06/42/59/408064259.db2.gz RDBCACHFRGVOLN-MNOVXSKESA-N 0 1 302.340 1.991 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000263242495 408073080 /nfs/dbraw/zinc/07/30/80/408073080.db2.gz LTKIUHJULUNUJZ-MRXNPFEDSA-N 0 1 316.405 1.138 10 0 DDAEMN CCOc1ccc([C@H](C)NC(=O)[C@@H](N)COC)cc1OCC ZINC000263264222 408081012 /nfs/dbraw/zinc/08/10/12/408081012.db2.gz UOCAKVCZWDNSEV-AAEUAGOBSA-N 0 1 310.394 1.635 10 0 DDAEMN C[C@H](NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182192838 408088370 /nfs/dbraw/zinc/08/83/70/408088370.db2.gz AEKDRIWPJKVDQM-NSHDSACASA-N 0 1 310.419 1.362 10 0 DDAEMN CCNC(=O)c1ccc(N2CCN(CCOCC)[C@@H](C)C2)nc1 ZINC000246115926 408144994 /nfs/dbraw/zinc/14/49/94/408144994.db2.gz IQVYBACVOAQBAV-AWEZNQCLSA-N 0 1 320.437 1.378 10 0 DDAEMN C[C@@H](C(=O)NCc1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000246125344 408148702 /nfs/dbraw/zinc/14/87/02/408148702.db2.gz BMFFYIPBTNZVQY-RDJZCZTQSA-N 0 1 301.434 1.861 10 0 DDAEMN c1cc(N2CCCC2)ncc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000121003655 408151002 /nfs/dbraw/zinc/15/10/02/408151002.db2.gz POIOBZPYZPGJQP-QGZVFWFLSA-N 0 1 316.449 1.588 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)CC[C@H]2C)C1 ZINC000263482611 408151821 /nfs/dbraw/zinc/15/18/21/408151821.db2.gz OIZJVLBWDHGBIT-MRFVTOPCSA-N 0 1 311.426 1.754 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000137598977 408158436 /nfs/dbraw/zinc/15/84/36/408158436.db2.gz ZUWHFJHTGAESNA-STQMWFEESA-N 0 1 319.409 1.806 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCOC(C)C)CCN1CCOC ZINC000182448464 408162816 /nfs/dbraw/zinc/16/28/16/408162816.db2.gz CVEGQDFBIDFNPO-OAHLLOKOSA-N 0 1 300.443 1.761 10 0 DDAEMN COc1cccc(-c2cc(C(=O)N3CC(NC(C)=O)C3)n[nH]2)c1 ZINC000190468544 408253622 /nfs/dbraw/zinc/25/36/22/408253622.db2.gz XAZBAYRSUVNSAA-UHFFFAOYSA-N 0 1 314.345 1.046 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCN1CCOC ZINC000246458405 408262344 /nfs/dbraw/zinc/26/23/44/408262344.db2.gz PEJQRMZKAIWYSP-UONOGXRCSA-N 0 1 315.483 1.634 10 0 DDAEMN Cc1nn(C)cc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000121542316 408236169 /nfs/dbraw/zinc/23/61/69/408236169.db2.gz HUDBJJPJXXGCIH-UHFFFAOYSA-N 0 1 302.426 1.170 10 0 DDAEMN c1c(CN2CC[N@H+]3CCCC[C@@H]3C2)nnn1Cc1cccnc1 ZINC000183021937 408305586 /nfs/dbraw/zinc/30/55/86/408305586.db2.gz YOPIPSBQXAMJQH-QGZVFWFLSA-N 0 1 312.421 1.392 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@@H](C)SC)CCO2)n[nH]1 ZINC000133750591 162065076 /nfs/dbraw/zinc/06/50/76/162065076.db2.gz USRPOQVEQVEJHT-ZJUUUORDSA-N 0 1 313.427 1.202 10 0 DDAEMN Cc1cc(C)n(C[C@H]2CN(CCCn3ccnc3)CCO2)n1 ZINC000183176059 408345563 /nfs/dbraw/zinc/34/55/63/408345563.db2.gz GIQRGXIGKIUCRU-MRXNPFEDSA-N 0 1 303.410 1.488 10 0 DDAEMN O=C(CCCc1nc(C2CC2)no1)N1CCN2CCCC[C@H]2C1 ZINC000172529106 162280226 /nfs/dbraw/zinc/28/02/26/162280226.db2.gz KPJMMLVLUSTLNZ-AWEZNQCLSA-N 0 1 318.421 1.966 10 0 DDAEMN CC(C)Cn1ccnc1CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173501056 162343776 /nfs/dbraw/zinc/34/37/76/162343776.db2.gz OJBCRTADKOLZNK-OAHLLOKOSA-N 0 1 319.453 1.919 10 0 DDAEMN COCc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)o1 ZINC000173536944 162347958 /nfs/dbraw/zinc/34/79/58/162347958.db2.gz HMDBUDCLLSUOFK-LBPRGKRZSA-N 0 1 306.322 1.066 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CSC(C)(C)C)CCO2)n[nH]1 ZINC000173558943 162348979 /nfs/dbraw/zinc/34/89/79/162348979.db2.gz DNFFDGQHDGZGHZ-SNVBAGLBSA-N 0 1 312.439 1.799 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)Nc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173666558 162355542 /nfs/dbraw/zinc/35/55/42/162355542.db2.gz PHTSKLUAHDPUAP-CQSZACIVSA-N 0 1 315.377 1.434 10 0 DDAEMN Cc1cccc2nc(CN3CCN(C[C@H](C)O)[C@@H](C)C3)cn21 ZINC000246988562 408382057 /nfs/dbraw/zinc/38/20/57/408382057.db2.gz AWSGPGJKORZGOW-GJZGRUSLSA-N 0 1 302.422 1.530 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCC(C)CC2)CCN1C[C@H](C)O ZINC000247098738 408405855 /nfs/dbraw/zinc/40/58/55/408405855.db2.gz ICXNOYIJZSTTLH-HOTGVXAUSA-N 0 1 311.470 1.022 10 0 DDAEMN CCOCCN1CCN(c2nc(C)nc3c2cnn3C)C[C@H]1C ZINC000247207137 408426891 /nfs/dbraw/zinc/42/68/91/408426891.db2.gz PLTPZWLPJJKKCI-GFCCVEGCSA-N 0 1 318.425 1.219 10 0 DDAEMN C[C@@H](C(=O)NC1CCCC1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177240493 408559918 /nfs/dbraw/zinc/55/99/18/408559918.db2.gz PHVMEZRKMHYUGX-YCPHGPKFSA-N 0 1 309.454 1.086 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)CCc2ccc(O)cc2)C[C@@H]1C ZINC000248402608 408560804 /nfs/dbraw/zinc/56/08/04/408560804.db2.gz NKQDIWUVVSDSFV-KBPBESRZSA-N 0 1 306.406 1.238 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCc2ccc(O)cc2)C[C@@H]1C ZINC000248402608 408560808 /nfs/dbraw/zinc/56/08/08/408560808.db2.gz NKQDIWUVVSDSFV-KBPBESRZSA-N 0 1 306.406 1.238 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(O)c2)CCN1C[C@H](C)O ZINC000248459287 408571755 /nfs/dbraw/zinc/57/17/55/408571755.db2.gz RFSUVEXOLKYEBI-DZGCQCFKSA-N 0 1 321.421 1.379 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(C)cn3)CCO2)n[nH]1 ZINC000184320137 408590503 /nfs/dbraw/zinc/59/05/03/408590503.db2.gz FDTKGJRFTHJFCV-NSHDSACASA-N 0 1 316.365 1.676 10 0 DDAEMN CCOCCN1CCN(Cc2cn(C(C)(C)C)nn2)C[C@H]1C ZINC000248844985 408646222 /nfs/dbraw/zinc/64/62/22/408646222.db2.gz MUERVHPVJSFENC-CQSZACIVSA-N 0 1 309.458 1.576 10 0 DDAEMN CCO[C@@H]1C[C@H](N[C@@H](C(N)=O)c2ccccc2)C12CCOCC2 ZINC000249045356 408680542 /nfs/dbraw/zinc/68/05/42/408680542.db2.gz VUVBASPIMGVRLR-ARFHVFGLSA-N 0 1 318.417 1.777 10 0 DDAEMN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000249726355 408758787 /nfs/dbraw/zinc/75/87/87/408758787.db2.gz OFUCCWMSZVYZPW-HOTGVXAUSA-N 0 1 319.449 1.332 10 0 DDAEMN CC(C)[C@@H]1C(=O)NCCN1CCN(C)Cc1ccc(F)cc1 ZINC000187010078 163001870 /nfs/dbraw/zinc/00/18/70/163001870.db2.gz YTGCIBUIWAYIEX-MRXNPFEDSA-N 0 1 307.413 1.714 10 0 DDAEMN CCN1CCCN(CCN(C)Cc2ccc(F)cc2)CC1=O ZINC000190226303 163133685 /nfs/dbraw/zinc/13/36/85/163133685.db2.gz VZLMTVZDWDVIBV-UHFFFAOYSA-N 0 1 307.413 1.812 10 0 DDAEMN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000191925345 163208984 /nfs/dbraw/zinc/20/89/84/163208984.db2.gz SFIJEKSARCXKOW-ZBFHGGJFSA-N 0 1 310.438 1.372 10 0 DDAEMN CCOC(=O)N[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)C(C)C ZINC000195071858 163306140 /nfs/dbraw/zinc/30/61/40/163306140.db2.gz JGHDRRKAONIMHA-KGLIPLIRSA-N 0 1 311.426 1.454 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195504862 163325192 /nfs/dbraw/zinc/32/51/92/163325192.db2.gz CYJFEBGJJFYMJC-AWEZNQCLSA-N 0 1 322.453 1.531 10 0 DDAEMN c1nc2c(ncnc2NCc2ccnc(O[C@H]3CCOC3)c2)[nH]1 ZINC000301864659 410817668 /nfs/dbraw/zinc/81/76/68/410817668.db2.gz FPQJTRPXTWXAOE-NSHDSACASA-N 0 1 312.333 1.528 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1cn(C(C)C)cn1 ZINC000189137240 222037534 /nfs/dbraw/zinc/03/75/34/222037534.db2.gz MGNGSWVGQBWMGG-CYBMUJFWSA-N 0 1 316.471 1.719 10 0 DDAEMN CCc1cc(CC)nc(NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)n1 ZINC000527565684 421414542 /nfs/dbraw/zinc/41/45/42/421414542.db2.gz KCOZGLGXKCKMAF-SUNKGSAMSA-N 0 1 316.409 1.108 10 0 DDAEMN CN(CC1CC1)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630658709 422245007 /nfs/dbraw/zinc/24/50/07/422245007.db2.gz UMEISXZXCTXXKC-HZPDHXFCSA-N 0 1 316.401 1.973 10 0 DDAEMN CN(CC1CC1)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630658709 422245012 /nfs/dbraw/zinc/24/50/12/422245012.db2.gz UMEISXZXCTXXKC-HZPDHXFCSA-N 0 1 316.401 1.973 10 0 DDAEMN O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@H](n2ccnn2)C1 ZINC000585321330 422312801 /nfs/dbraw/zinc/31/28/01/422312801.db2.gz OWAAOYRIQMFTSR-JTQLQIEISA-N 0 1 314.374 1.817 10 0 DDAEMN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000176633414 278110149 /nfs/dbraw/zinc/11/01/49/278110149.db2.gz YFHQVCOAGRPLFR-ILXRZTDVSA-N 0 1 316.467 1.301 10 0 DDAEMN CCC[C@@]1(C)CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000236988633 278911270 /nfs/dbraw/zinc/91/12/70/278911270.db2.gz ODWMOGYBUZEPIV-OCCSQVGLSA-N 0 1 304.456 1.177 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@H](C)CSC)CCN1CCOC ZINC000246750955 282012576 /nfs/dbraw/zinc/01/25/76/282012576.db2.gz LVJQSIGGBOHMHB-OLZOCXBDSA-N 0 1 303.472 1.490 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000247023585 282030070 /nfs/dbraw/zinc/03/00/70/282030070.db2.gz WYGUJARFLIQUTO-RYUDHWBXSA-N 0 1 312.360 1.421 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000247023585 282030075 /nfs/dbraw/zinc/03/00/75/282030075.db2.gz WYGUJARFLIQUTO-RYUDHWBXSA-N 0 1 312.360 1.421 10 0 DDAEMN O=C([O-])[C@H]1CSCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000214475821 484139034 /nfs/dbraw/zinc/13/90/34/484139034.db2.gz XTVIJDDIJCTYTK-UONOGXRCSA-N 0 1 311.403 1.066 10 0 DDAEMN O=C1[C@H](N2CCC[C@@H](n3cccn3)C2)CCN1C1CCOCC1 ZINC000328613064 534840041 /nfs/dbraw/zinc/84/00/41/534840041.db2.gz PZPZRGIZWJMXIZ-HZPDHXFCSA-N 0 1 318.421 1.300 10 0 DDAEMN CC(C)[C@H]1N(C(=O)NCc2n[nH]c(C3CC3)n2)C[C@]12CCCO2 ZINC000334017157 535274795 /nfs/dbraw/zinc/27/47/95/535274795.db2.gz AZWRLQCGCSPGGI-CZUORRHYSA-N 0 1 319.409 1.781 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@H](O)c2ccccc2F)C[C@@H]1C ZINC000105835345 696625164 /nfs/dbraw/zinc/62/51/64/696625164.db2.gz IZZUEOOWYCOFGH-YOEHRIQHSA-N 0 1 310.413 1.902 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)c2ccccc2F)C[C@@H]1C ZINC000105835345 696625166 /nfs/dbraw/zinc/62/51/66/696625166.db2.gz IZZUEOOWYCOFGH-YOEHRIQHSA-N 0 1 310.413 1.902 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C[C@H]3CCCOC3)CCO2)n[nH]1 ZINC000193383590 697663452 /nfs/dbraw/zinc/66/34/52/697663452.db2.gz QXZJNHFSSNDEAC-VXGBXAGGSA-N 0 1 308.382 1.084 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555779 697757491 /nfs/dbraw/zinc/75/74/91/697757491.db2.gz WYRXLWGVRXMSNV-ZBFHGGJFSA-N 0 1 313.401 1.250 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)C1(c2ccccc2)CCOCC1 ZINC000222574352 697757982 /nfs/dbraw/zinc/75/79/82/697757982.db2.gz WZQCXFDLQVTFDF-KRWDZBQOSA-N 0 1 314.429 1.945 10 0 DDAEMN CC[C@@H]1CN(C(=O)COC2CCCCC2)CCN1C[C@H](C)O ZINC000247016023 698359527 /nfs/dbraw/zinc/35/95/27/698359527.db2.gz WNXISWXGGGAPHN-LSDHHAIUSA-N 0 1 312.454 1.639 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000262273579 698462537 /nfs/dbraw/zinc/46/25/37/698462537.db2.gz KRRPNBMTDGAEQB-NWDGAFQWSA-N 0 1 313.195 1.526 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000263261850 698498330 /nfs/dbraw/zinc/49/83/30/698498330.db2.gz QLIJFQUADLBHKA-UHFFFAOYSA-N 0 1 323.437 1.803 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCS[C@@H](C)C2)C1 ZINC000263488473 698509888 /nfs/dbraw/zinc/50/98/88/698509888.db2.gz QFOQENPALQDFSR-UNXYVOJBSA-N 0 1 315.439 1.071 10 0 DDAEMN COC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)s2)CNCCO1 ZINC000710775127 699254877 /nfs/dbraw/zinc/25/48/77/699254877.db2.gz OKSIXRIMLCHMIR-ZANVPECISA-N 0 1 318.826 1.584 10 0 DDAEMN O=C([O-])[C@@H]1[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CC[C@@H]21 ZINC000721194887 699310873 /nfs/dbraw/zinc/31/08/73/699310873.db2.gz SDZLBGQEJUIILH-JONQDZQNSA-N 0 1 305.374 1.217 10 0 DDAEMN CC(C)(NC(=O)[C@@H]1C[C@]12CCOc1ccccc12)c1c[nH]nn1 ZINC000734403712 699649510 /nfs/dbraw/zinc/64/95/10/699649510.db2.gz KOEPUOHGNKOBOH-SJCJKPOMSA-N 0 1 312.373 1.896 10 0 DDAEMN C[C@@H]1CNC[C@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)O1 ZINC000854159337 704363689 /nfs/dbraw/zinc/36/36/89/704363689.db2.gz YGFUJFJUSHGVNB-HTRCEHHLSA-N 0 1 317.271 1.538 10 0 DDAEMN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2[nH]nc(C)c2C)cn1 ZINC000888095226 709211576 /nfs/dbraw/zinc/21/15/76/709211576.db2.gz UNIYRFPFMXKMKR-UONOGXRCSA-N 0 1 317.393 1.973 10 0 DDAEMN Cn1c2ccc(CN3CCCC[C@H]3c3nnc[nH]3)cc2oc1=O ZINC000895197331 711450260 /nfs/dbraw/zinc/45/02/60/711450260.db2.gz HOSRBYLLHKKXKD-ZDUSSCGKSA-N 0 1 313.361 1.977 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCOC)c1cc(C)ccc1OC ZINC000081943485 192344528 /nfs/dbraw/zinc/34/45/28/192344528.db2.gz ADNNEKWPHDNRMO-CQSZACIVSA-N 0 1 315.435 1.715 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000173675914 282182059 /nfs/dbraw/zinc/18/20/59/282182059.db2.gz MMCAUZWBKDZAOD-MAUKXSAKSA-N 0 1 316.401 1.776 10 0 DDAEMN CCC[C@@H](CNC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000087502366 185227188 /nfs/dbraw/zinc/22/71/88/185227188.db2.gz JYFXOWVOJJPHHV-ZDUSSCGKSA-N 0 1 301.431 1.907 10 0 DDAEMN O=c1[nH]c([C@@H]2CCCS2)ncc1I ZINC000087700846 185230772 /nfs/dbraw/zinc/23/07/72/185230772.db2.gz SGNYIPXHTHHSDX-LURJTMIESA-N 0 1 308.144 1.943 10 0 DDAEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C ZINC000176663417 539229687 /nfs/dbraw/zinc/22/96/87/539229687.db2.gz UMWWZHWKSQHXAD-VHSXEESVSA-N 0 1 314.332 1.198 10 0 DDAEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C ZINC000176663417 539229689 /nfs/dbraw/zinc/22/96/89/539229689.db2.gz UMWWZHWKSQHXAD-VHSXEESVSA-N 0 1 314.332 1.198 10 0 DDAEMN CCCCc1nnc(NC(=O)CN[C@H](C)[C@H]2CCCO2)s1 ZINC000183146026 539241168 /nfs/dbraw/zinc/24/11/68/539241168.db2.gz XEXXKFWJUWYITH-GHMZBOCLSA-N 0 1 312.439 1.976 10 0 DDAEMN CCN(CCOC)S(=O)(=O)c1ccc(CNC(C)C)o1 ZINC000088544296 185256955 /nfs/dbraw/zinc/25/69/55/185256955.db2.gz CFFOMTHKKDBZDR-UHFFFAOYSA-N 0 1 304.412 1.435 10 0 DDAEMN CC(C)OCCCNCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540004 185255954 /nfs/dbraw/zinc/25/59/54/185255954.db2.gz VIPCIJCYJXPQOD-UHFFFAOYSA-N 0 1 304.412 1.435 10 0 DDAEMN CC(C)(C)OC(=O)N1CCC(N[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000088854799 185267112 /nfs/dbraw/zinc/26/71/12/185267112.db2.gz YTGHXHOFITTZST-GFCCVEGCSA-N 0 1 316.423 1.286 10 0 DDAEMN CCN[C@H]1c2ccccc2C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990538 192350475 /nfs/dbraw/zinc/35/04/75/192350475.db2.gz RZSNICJVIHPTFG-HOTGVXAUSA-N 0 1 309.431 1.856 10 0 DDAEMN COCCC[S@@](=O)C[C@H](N)c1cc(OC)ccc1OC ZINC000081998899 192353029 /nfs/dbraw/zinc/35/30/29/192353029.db2.gz XYVCOJVSRYMLEV-RBZFPXEDSA-N 0 1 301.408 1.489 10 0 DDAEMN CC[N@@H+](CC(=O)N(C(C)C)C(C)C)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090475988 185298523 /nfs/dbraw/zinc/29/85/23/185298523.db2.gz ITZWTEQQFABBNR-STQMWFEESA-N 0 1 300.399 1.053 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)N(C)C ZINC000092698366 185333753 /nfs/dbraw/zinc/33/37/53/185333753.db2.gz JDCURENHMUBNLA-CQSZACIVSA-N 0 1 317.393 1.240 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1cccc(Cl)c1 ZINC000092780800 185340393 /nfs/dbraw/zinc/34/03/93/185340393.db2.gz SLSYUMNZPFPJJA-NOZJJQNGSA-N 0 1 304.781 1.955 10 0 DDAEMN O=C(Nc1ccc(Br)cc1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092779560 185340466 /nfs/dbraw/zinc/34/04/66/185340466.db2.gz NPAMWKRUMBKWCS-NSHDSACASA-N 0 1 321.178 1.825 10 0 DDAEMN O=C1[C@@H]2Cc3nc[nH]c3CN2C(=O)N1c1ccc(Cl)cc1 ZINC000092779338 185340492 /nfs/dbraw/zinc/34/04/92/185340492.db2.gz UPNKMZSHRQWVSR-LBPRGKRZSA-N 0 1 302.721 1.957 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2Cc3nc[nH]c3CN2)cc1Cl ZINC000092779447 185340580 /nfs/dbraw/zinc/34/05/80/185340580.db2.gz QLCGLBBHWUWKAH-LLVKDONJSA-N 0 1 306.753 1.725 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1c1nn[nH]n1 ZINC000616625797 362761017 /nfs/dbraw/zinc/76/10/17/362761017.db2.gz XUGUSVHGSQECTM-GFCCVEGCSA-N 0 1 307.379 1.506 10 0 DDAEMN Cn1cnc2c1[C@]1(CCCN(C(=O)OC(C)(C)C)C1)NCC2 ZINC000725242844 539568785 /nfs/dbraw/zinc/56/87/85/539568785.db2.gz ZFDYIADQZZKEBY-MRXNPFEDSA-N 0 1 306.410 1.792 10 0 DDAEMN Cn1cnc2c1[C@@]1(CCCN(C(=O)OC(C)(C)C)C1)NCC2 ZINC000725242843 539568800 /nfs/dbraw/zinc/56/88/00/539568800.db2.gz ZFDYIADQZZKEBY-INIZCTEOSA-N 0 1 306.410 1.792 10 0 DDAEMN CC(C)NC(=O)c1cc(S(=O)(=O)NC(C)C)oc1Cl ZINC000725264865 539570301 /nfs/dbraw/zinc/57/03/01/539570301.db2.gz NEDQDFOWCXITHU-UHFFFAOYSA-N 0 1 308.787 1.758 10 0 DDAEMN CCc1ccc(NC(=O)CSc2nnc(CN)n2C)cc1 ZINC000071373921 190962733 /nfs/dbraw/zinc/96/27/33/190962733.db2.gz PWHRNQZXLVPXIA-UHFFFAOYSA-N 0 1 305.407 1.567 10 0 DDAEMN COC(=O)c1ccnc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000181901804 186216820 /nfs/dbraw/zinc/21/68/20/186216820.db2.gz UASHNXPARLMZNR-ZDUSSCGKSA-N 0 1 318.377 1.570 10 0 DDAEMN CC(=O)c1cccc(NC(=O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000172801618 198151342 /nfs/dbraw/zinc/15/13/42/198151342.db2.gz AOLDNZSHUYPVCM-QGZVFWFLSA-N 0 1 315.417 1.998 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2)CCN1C[C@@H](C)O ZINC000173272813 198204173 /nfs/dbraw/zinc/20/41/73/198204173.db2.gz PHJBSNFJPUIXJT-GDBMZVCRSA-N 0 1 305.422 1.673 10 0 DDAEMN Cc1nn(C)c(C)c1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000174059529 198286920 /nfs/dbraw/zinc/28/69/20/198286920.db2.gz JIWBUCAXEOPBSQ-QGZVFWFLSA-N 0 1 314.433 1.826 10 0 DDAEMN CC(=O)N(C[C@@H]1CCCN1Cc1cnc2ncccn12)C1CC1 ZINC000328631354 354553546 /nfs/dbraw/zinc/55/35/46/354553546.db2.gz KKDPYXUXEOESOW-HNNXBMFYSA-N 0 1 313.405 1.705 10 0 DDAEMN COc1ccc(C(C)C)cc1S(=O)(=O)NCCN(C)C ZINC000074934736 191389841 /nfs/dbraw/zinc/38/98/41/191389841.db2.gz HBSIEKCXXNTEBQ-UHFFFAOYSA-N 0 1 300.424 1.659 10 0 DDAEMN Cc1cncc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000074834497 191368904 /nfs/dbraw/zinc/36/89/04/191368904.db2.gz VKGCFFRUFOQUQJ-UHFFFAOYSA-N 0 1 303.343 1.685 10 0 DDAEMN C[C@H](NS(=O)(=O)c1ccc(CN)s1)c1nccs1 ZINC000080315164 192023538 /nfs/dbraw/zinc/02/35/38/192023538.db2.gz JZRAKRGLNPXECY-ZETCQYMHSA-N 0 1 303.434 1.703 10 0 DDAEMN CCN[C@@H](C)c1csc(N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000080805027 192193275 /nfs/dbraw/zinc/19/32/75/192193275.db2.gz IQVFFCWJMJNNDW-VHSXEESVSA-N 0 1 303.453 1.437 10 0 DDAEMN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000237008596 202120931 /nfs/dbraw/zinc/12/09/31/202120931.db2.gz RXVCKTMTJMJYPW-LDYMZIIASA-N 0 1 320.361 1.995 10 0 DDAEMN COc1ccc(CNC(=O)c2coc(CN)c2)c(OC)c1OC ZINC000187357584 200100934 /nfs/dbraw/zinc/10/09/34/200100934.db2.gz QZYXZVGEJQAVMK-UHFFFAOYSA-N 0 1 320.345 1.694 10 0 DDAEMN C[C@@H](C(=O)Nc1ccccc1C(N)=S)N(C)CC(C)(C)O ZINC000092966976 193189715 /nfs/dbraw/zinc/18/97/15/193189715.db2.gz FCKZTVZSOBNRHZ-JTQLQIEISA-N 0 1 309.435 1.351 10 0 DDAEMN CN(CCc1cccs1)Cc1nc2c(cnn2C)c(N)n1 ZINC000093269905 193222898 /nfs/dbraw/zinc/22/28/98/193222898.db2.gz ROSFFFPCDUFQNI-UHFFFAOYSA-N 0 1 302.407 1.682 10 0 DDAEMN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@@H+](C)CCS(C)(=O)=O)C1 ZINC000094301280 193358412 /nfs/dbraw/zinc/35/84/12/193358412.db2.gz VJQFQBQSVRRXMG-JHJVBQTASA-N 0 1 305.440 1.632 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)NCCN2CCCCC2)c1 ZINC000094358564 193364466 /nfs/dbraw/zinc/36/44/66/193364466.db2.gz MZRDHJQGWLQYGT-UHFFFAOYSA-N 0 1 311.451 1.650 10 0 DDAEMN C[C@H](NC(=O)c1ccc(Br)cc1N)c1nn[nH]n1 ZINC000094045761 193340854 /nfs/dbraw/zinc/34/08/54/193340854.db2.gz VZBCZXHZQPPGDS-YFKPBYRVSA-N 0 1 311.143 1.035 10 0 DDAEMN CC(C)N1CCC(O)([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639147 193388033 /nfs/dbraw/zinc/38/80/33/193388033.db2.gz PPOMHQUPDDHNEG-UONOGXRCSA-N 0 1 303.468 1.825 10 0 DDAEMN NCc1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cs1 ZINC000094445202 193371401 /nfs/dbraw/zinc/37/14/01/193371401.db2.gz MMJTXGAQBFAXFX-LLVKDONJSA-N 0 1 315.464 1.066 10 0 DDAEMN CCc1nc([C@H]2CN3CCN2CC3)[nH]c(=O)c1Br ZINC000094506685 193374749 /nfs/dbraw/zinc/37/47/49/193374749.db2.gz ZOYVDWJECZGTBQ-SECBINFHSA-N 0 1 313.199 1.179 10 0 DDAEMN C[C@H]1CN(CCC(=O)Nc2ccc(C(N)=S)cc2)CCO1 ZINC000020008844 182177110 /nfs/dbraw/zinc/17/71/10/182177110.db2.gz HFYAYBGHZVXFPV-NSHDSACASA-N 0 1 307.419 1.370 10 0 DDAEMN CNC(=O)CN[C@H]1CCCOc2cc(Br)ccc21 ZINC000037254124 182875632 /nfs/dbraw/zinc/87/56/32/182875632.db2.gz BCXCOUCQMWJLCV-NSHDSACASA-N 0 1 313.195 1.998 10 0 DDAEMN OCc1nc2ccc(Cl)cc2n1CCCN1CCOCC1 ZINC000040405991 183062052 /nfs/dbraw/zinc/06/20/52/183062052.db2.gz PAZJFBMTTPUIFI-UHFFFAOYSA-N 0 1 309.797 1.904 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)c1cncc(Br)c1 ZINC000042253012 183247298 /nfs/dbraw/zinc/24/72/98/183247298.db2.gz NEKARMKVMAARPR-GFCCVEGCSA-N 0 1 310.195 1.668 10 0 DDAEMN CCCO[C@@H]1CCCN(CC(=O)N(C)CCC(N)=S)C1 ZINC000042422411 183267350 /nfs/dbraw/zinc/26/73/50/183267350.db2.gz SMXZKCNYUZCDLO-GFCCVEGCSA-N 0 1 301.456 1.012 10 0 DDAEMN CCOC(=O)[C@@H](c1ccc([O-])c(Cl)c1)N1CCC[NH2+]CC1 ZINC000043489444 183366288 /nfs/dbraw/zinc/36/62/88/183366288.db2.gz RCHLPJYFJHMNHF-CQSZACIVSA-N 0 1 312.797 1.945 10 0 DDAEMN CCOC(=O)[C@@H](NCC[NH+](C)C)c1ccc([O-])c(Cl)c1 ZINC000043489529 183366837 /nfs/dbraw/zinc/36/68/37/183366837.db2.gz IGHHOJHYGKONCG-ZDUSSCGKSA-N 0 1 300.786 1.801 10 0 DDAEMN CN(C)c1ncccc1CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105125955 194075771 /nfs/dbraw/zinc/07/57/71/194075771.db2.gz OXULFMSTKAZYBY-OAHLLOKOSA-N 0 1 317.437 1.527 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105826789 194138102 /nfs/dbraw/zinc/13/81/02/194138102.db2.gz BVWYLRPDZPYRGH-XUWVNRHRSA-N 0 1 313.486 1.457 10 0 DDAEMN COCCN1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H]1C ZINC000105913776 194169564 /nfs/dbraw/zinc/16/95/64/194169564.db2.gz YBDALZFOMPQHGY-LBPRGKRZSA-N 0 1 322.434 1.951 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)OCC1CC1 ZINC000106461632 194217887 /nfs/dbraw/zinc/21/78/87/194217887.db2.gz PCPYFUDESXEQCH-OAHLLOKOSA-N 0 1 304.390 1.229 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000109456608 194264753 /nfs/dbraw/zinc/26/47/53/194264753.db2.gz ZUGKKTFRZOSYNK-LLVKDONJSA-N 0 1 309.410 1.187 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2cccnc2)CC1 ZINC000109463377 194265344 /nfs/dbraw/zinc/26/53/44/194265344.db2.gz PHJFXMGWNWMSKN-ZDUSSCGKSA-N 0 1 306.435 1.294 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878131 194366052 /nfs/dbraw/zinc/36/60/52/194366052.db2.gz FBZUHJNUTOKEJI-STQMWFEESA-N 0 1 309.435 1.917 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(Cc2nc3ccccc3s2)CC1 ZINC000061146147 184163296 /nfs/dbraw/zinc/16/32/96/184163296.db2.gz WSJVWHTXTBENHB-UHFFFAOYSA-N 0 1 305.403 1.889 10 0 DDAEMN CCc1nn2c(nc(C[N@@H+](C)C(C)(C)C(=O)[O-])cc2=O)s1 ZINC000061172654 184164166 /nfs/dbraw/zinc/16/41/66/184164166.db2.gz XLDFIUPKWMMYAV-UHFFFAOYSA-N 0 1 310.379 1.008 10 0 DDAEMN NNc1ccc(Cl)c(CN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000061639266 184179959 /nfs/dbraw/zinc/17/99/59/184179959.db2.gz PYJCTOIRVGPYEN-UHFFFAOYSA-N 0 1 309.757 1.385 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1N ZINC000061642535 184180082 /nfs/dbraw/zinc/18/00/82/184180082.db2.gz GXTXSDXKZCXZBY-NSHDSACASA-N 0 1 301.387 1.123 10 0 DDAEMN CC(C)CN1CCO[C@H](CSc2nnc(N)n2C(C)C)C1 ZINC000062801233 184253586 /nfs/dbraw/zinc/25/35/86/184253586.db2.gz AQGFKTZFXOHVJW-LBPRGKRZSA-N 0 1 313.471 1.890 10 0 DDAEMN C[C@]1(NC2=N[C@@H](Cc3ccccc3)CS2)CCS(=O)(=O)C1 ZINC000063220636 184279311 /nfs/dbraw/zinc/27/93/11/184279311.db2.gz NSVSDGZEFHZCJN-ZFWWWQNUSA-N 0 1 324.471 1.867 10 0 DDAEMN Cn1ncc2c1nc(CN(CCO)C1CCCC1)nc2Cl ZINC000063077473 184269158 /nfs/dbraw/zinc/26/91/58/184269158.db2.gz LSJIJYORBSCFLD-UHFFFAOYSA-N 0 1 309.801 1.754 10 0 DDAEMN Cc1ccc(CN2C[C@H](C(=O)N3CCCO3)C[C@@H]3OCC[C@@H]32)o1 ZINC000248109619 257109240 /nfs/dbraw/zinc/10/92/40/257109240.db2.gz QEYOFQLZZCSCTC-KBMXLJTQSA-N 0 1 320.389 1.731 10 0 DDAEMN CO[C@H]1CCN(C(=O)CN(C)C)C[C@H]1Cc1cccc(C)c1 ZINC000248034701 257110329 /nfs/dbraw/zinc/11/03/29/257110329.db2.gz ULHGKVGXJPEDMS-SJORKVTESA-N 0 1 304.434 1.963 10 0 DDAEMN Cc1csc(CN2CC[C@@H]3OCC[C@]3(C(=O)N(C)C)C2)n1 ZINC000248001606 257111451 /nfs/dbraw/zinc/11/14/51/257111451.db2.gz NSBWNJVMUNHMJK-WFASDCNBSA-N 0 1 309.435 1.521 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(N)=O)N(C)C ZINC000121546201 195305875 /nfs/dbraw/zinc/30/58/75/195305875.db2.gz HQAFHCAAFQATTH-AWEZNQCLSA-N 0 1 304.394 1.797 10 0 DDAEMN C[C@H](NC(=O)NCCN1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000121996375 195388148 /nfs/dbraw/zinc/38/81/48/195388148.db2.gz ILIOTGKBTFLAPZ-WMLDXEAASA-N 0 1 317.433 1.911 10 0 DDAEMN Cc1cc(C)c(CO)c(N2CCN(c3nccs3)CC2)n1 ZINC000040864287 134722841 /nfs/dbraw/zinc/72/28/41/134722841.db2.gz PCIOTFAIMNRWKQ-UHFFFAOYSA-N 0 1 304.419 1.974 10 0 DDAEMN CCO[C@H]1C[C@H](N(C)CC(=O)NCCCOC)C12CCCC2 ZINC000125648017 407394061 /nfs/dbraw/zinc/39/40/61/407394061.db2.gz TYCXUZRXSJXSPW-GJZGRUSLSA-N 0 1 312.454 1.809 10 0 DDAEMN COc1cc(C)c(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000170873549 407540470 /nfs/dbraw/zinc/54/04/70/407540470.db2.gz UWGRIEIGYIJMQE-ZDUSSCGKSA-N 0 1 312.435 1.637 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000171189309 407619281 /nfs/dbraw/zinc/61/92/81/407619281.db2.gz VYOSGDDIINOZFV-NSHDSACASA-N 0 1 315.364 1.903 10 0 DDAEMN CCOC(=O)C[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000129923600 407637989 /nfs/dbraw/zinc/63/79/89/407637989.db2.gz KVMJREUPCGBMEC-ZBFHGGJFSA-N 0 1 320.433 1.865 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179560266 407805210 /nfs/dbraw/zinc/80/52/10/407805210.db2.gz IAPHFIWXOICYKG-QGZVFWFLSA-N 0 1 314.433 1.965 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262466648 407842739 /nfs/dbraw/zinc/84/27/39/407842739.db2.gz MAGWZKRZJAGARN-ZDUSSCGKSA-N 0 1 313.442 1.018 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)NCCOc2ccccc2)C[C@H]1C ZINC000180751618 407916312 /nfs/dbraw/zinc/91/63/12/407916312.db2.gz FTYCVVHOFNYAGM-HUUCEWRRSA-N 0 1 321.421 1.162 10 0 DDAEMN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nnc[nH]2)c1 ZINC000153861079 407919198 /nfs/dbraw/zinc/91/91/98/407919198.db2.gz UKSWJXVYCJCPKZ-KBPBESRZSA-N 0 1 300.362 1.753 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(F)c(F)c2)C1 ZINC000262760461 407919901 /nfs/dbraw/zinc/91/99/01/407919901.db2.gz ZQELRGOSOPYUPU-UHFFFAOYSA-N 0 1 312.316 1.632 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)C[C@H]1C ZINC000245658804 408039467 /nfs/dbraw/zinc/03/94/67/408039467.db2.gz OZQHNVNYNLKOKT-PBYRWIMMSA-N 0 1 323.824 1.662 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)o1 ZINC000245697382 408044426 /nfs/dbraw/zinc/04/44/26/408044426.db2.gz CLXXUDCSACUCMJ-STQMWFEESA-N 0 1 310.394 1.343 10 0 DDAEMN COC(=O)c1ccccc1OCCN1CCC[C@@H](NC(C)=O)C1 ZINC000182067737 408072045 /nfs/dbraw/zinc/07/20/45/408072045.db2.gz WCPNEOPSLYJSSG-CQSZACIVSA-N 0 1 320.389 1.453 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000175196533 408074651 /nfs/dbraw/zinc/07/46/51/408074651.db2.gz NJZZOKBPVSLVKO-OAHLLOKOSA-N 0 1 321.469 1.183 10 0 DDAEMN CCC[C@H](CNC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)OC ZINC000263433131 408137435 /nfs/dbraw/zinc/13/74/35/408137435.db2.gz ZGAJSQULDQKWJO-WXRRBKDZSA-N 0 1 315.414 1.038 10 0 DDAEMN CC[C@H]1[C@H](C)CCN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263467661 408149272 /nfs/dbraw/zinc/14/92/72/408149272.db2.gz KKSFFKUEEWBSMC-RYSNWHEDSA-N 0 1 311.426 1.754 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@H]2CCCCO2)C[C@H]1CC ZINC000246199128 408173864 /nfs/dbraw/zinc/17/38/64/408173864.db2.gz QKUFQBYQMMAJEI-HZPDHXFCSA-N 0 1 312.454 1.905 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246378868 408239506 /nfs/dbraw/zinc/23/95/06/408239506.db2.gz HYCIKRXWLDUDOC-OWCLPIDISA-N 0 1 311.470 1.190 10 0 DDAEMN CN(Cc1cccnc1)C[C@@H]1CCN(c2nccn(C)c2=O)C1 ZINC000190448587 408249102 /nfs/dbraw/zinc/24/91/02/408249102.db2.gz YWVQKLOXYAJMRF-HNNXBMFYSA-N 0 1 313.405 1.134 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000246635752 408307922 /nfs/dbraw/zinc/30/79/22/408307922.db2.gz TYCKMRSCZQKPSZ-TZMCWYRMSA-N 0 1 324.446 1.687 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000171552668 162224638 /nfs/dbraw/zinc/22/46/38/162224638.db2.gz OURVPSFBEULOCJ-QWHCGFSZSA-N 0 1 305.426 1.656 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1c(F)cccc1F ZINC000171645546 162233379 /nfs/dbraw/zinc/23/33/79/162233379.db2.gz CJAJIJWJNPUTAK-WDEREUQCSA-N 0 1 313.348 1.212 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n[nH]1 ZINC000173549110 162348700 /nfs/dbraw/zinc/34/87/00/162348700.db2.gz FOWWTUUMRKXDFJ-GFCCVEGCSA-N 0 1 312.333 1.203 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3nc(C(C)(C)C)no3)CCO2)n[nH]1 ZINC000173660414 162353301 /nfs/dbraw/zinc/35/33/01/162353301.db2.gz YXNFFRLEXIFSBP-SNVBAGLBSA-N 0 1 306.370 1.367 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)Nc3ccccc3C)CCO2)n[nH]1 ZINC000173670035 162356023 /nfs/dbraw/zinc/35/60/23/162356023.db2.gz PJRADQPAONGUOY-AWEZNQCLSA-N 0 1 315.377 1.434 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000183579881 408447700 /nfs/dbraw/zinc/44/77/00/408447700.db2.gz LAGWKPFQNBHPFJ-SBJJXXPASA-N 0 1 304.390 1.321 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247141013 408416207 /nfs/dbraw/zinc/41/62/07/408416207.db2.gz KZNXKYYHOXHOIQ-XHSDSOJGSA-N 0 1 313.486 1.266 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccsc3)CCO2)n[nH]1 ZINC000175365139 162466758 /nfs/dbraw/zinc/46/67/58/162466758.db2.gz XYPWLWSJVPPNGY-LLVKDONJSA-N 0 1 307.379 1.458 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(Cl)nc3)CCO2)n[nH]1 ZINC000177044095 408505575 /nfs/dbraw/zinc/50/55/75/408505575.db2.gz SRRRWEWOSQMNCJ-JTQLQIEISA-N 0 1 322.756 1.767 10 0 DDAEMN Cn1ccc(N2CCC[C@H](N[C@H](CO)c3ccccc3)C2=O)n1 ZINC000183668399 408466912 /nfs/dbraw/zinc/46/69/12/408466912.db2.gz AAGFAAICWXWRGA-LSDHHAIUSA-N 0 1 314.389 1.239 10 0 DDAEMN Cc1cccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1F ZINC000248459746 408571085 /nfs/dbraw/zinc/57/10/85/408571085.db2.gz VYAXENPZADADPT-OLZOCXBDSA-N 0 1 312.410 1.991 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2C)CCN1C[C@H](C)O ZINC000248460234 408571654 /nfs/dbraw/zinc/57/16/54/408571654.db2.gz SGVOFPZHTHVYID-DOTOQJQBSA-N 0 1 319.449 1.982 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3cccs3)CCO2)n[nH]1 ZINC000177430822 408616198 /nfs/dbraw/zinc/61/61/98/408616198.db2.gz NRQZZJOGPGAJEB-NSHDSACASA-N 0 1 307.379 1.458 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2nccn2-c2ccccc2)C[C@@H]1C ZINC000248838687 408643966 /nfs/dbraw/zinc/64/39/66/408643966.db2.gz KOTHVDKCLKFMBR-HOTGVXAUSA-N 0 1 314.433 1.759 10 0 DDAEMN Cc1ccc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000249197550 408705305 /nfs/dbraw/zinc/70/53/05/408705305.db2.gz QIVMVANOFKJHRZ-CABCVRRESA-N 0 1 315.417 1.937 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(c2cccc(OC)c2)CC1 ZINC000193246621 408705791 /nfs/dbraw/zinc/70/57/91/408705791.db2.gz QMJMEKCKGJVUAV-QGZVFWFLSA-N 0 1 322.449 1.995 10 0 DDAEMN CC(C)N(C)c1ccc(CN2CC[C@H](N3CCOCC3)C2)cn1 ZINC000191255726 163178523 /nfs/dbraw/zinc/17/85/23/163178523.db2.gz UZPMVLMIBUXXAB-KRWDZBQOSA-N 0 1 318.465 1.833 10 0 DDAEMN O=C([C@H]1COc2ccccc2C1)N1CCN2CCCC[C@@H]2C1 ZINC000195082213 163305944 /nfs/dbraw/zinc/30/59/44/163305944.db2.gz QLWNXLYOJKOFPI-HZPDHXFCSA-N 0 1 300.402 1.934 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cncc3ccccc32)C1 ZINC000285596776 409501920 /nfs/dbraw/zinc/50/19/20/409501920.db2.gz CFUHFMBDJWCISJ-DOMZBBRYSA-N 0 1 323.356 1.955 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2C[C@H]2c2cccnc2)C1 ZINC000583621743 422207101 /nfs/dbraw/zinc/20/71/01/422207101.db2.gz FGZMEAHMGIBFON-WUCCLRPBSA-N 0 1 317.389 1.239 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630676341 422262181 /nfs/dbraw/zinc/26/21/81/422262181.db2.gz WUEYGYACCIBEON-UNQGMJICSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630676341 422262186 /nfs/dbraw/zinc/26/21/86/422262186.db2.gz WUEYGYACCIBEON-UNQGMJICSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000634851184 422683692 /nfs/dbraw/zinc/68/36/92/422683692.db2.gz XHYIKBYPUWYEAM-OEAJRASXSA-N 0 1 316.401 1.591 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N2CCC(OCC3CCCC3)CC2)N(C)C1 ZINC000345358007 272229489 /nfs/dbraw/zinc/22/94/89/272229489.db2.gz HABRVJJKVIJKHE-IRXDYDNUSA-N 0 1 324.465 1.903 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)COC2CCCCC2)C1 ZINC000345516839 272271783 /nfs/dbraw/zinc/27/17/83/272271783.db2.gz WXNQPFKCYVBRRO-OLZOCXBDSA-N 0 1 308.382 1.442 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2nccn3ccnc23)n[nH]1 ZINC000328665413 293365086 /nfs/dbraw/zinc/36/50/86/293365086.db2.gz CDYYSTXRJRVHKN-NSHDSACASA-N 0 1 311.349 1.523 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C[C@H]3CCCCC(=O)N3)CCO2)n[nH]1 ZINC000328808924 534582661 /nfs/dbraw/zinc/58/26/61/534582661.db2.gz MIHJZQGWTKIHLT-NEPJUHHUSA-N 0 1 321.381 1.302 10 0 DDAEMN COCCN1CCN(CN2C(=O)C[C@H]2c2ccccc2)C[C@H]1C ZINC000117322006 696670598 /nfs/dbraw/zinc/67/05/98/696670598.db2.gz FHUDEBUECGZEIG-WBVHZDCISA-N 0 1 317.433 1.570 10 0 DDAEMN CC(=O)OC1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000133929709 696831244 /nfs/dbraw/zinc/83/12/44/696831244.db2.gz QNJBATFFECDEJN-KRWDZBQOSA-N 0 1 318.417 1.713 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)c1cc(-c2cccs2)n[nH]1 ZINC000222550256 697758018 /nfs/dbraw/zinc/75/80/18/697758018.db2.gz WHNJNYHXVLJMGG-CYBMUJFWSA-N 0 1 302.403 1.962 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCO[C@@H](C)C2)C12CCCC2 ZINC000247134257 698361759 /nfs/dbraw/zinc/36/17/59/698361759.db2.gz XJSXZKXDWVTUMH-ARFHVFGLSA-N 0 1 324.465 1.903 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000262227715 698460281 /nfs/dbraw/zinc/46/02/81/698460281.db2.gz GLTMLSZWOSDHJR-VHSXEESVSA-N 0 1 307.177 1.117 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000262535856 698473584 /nfs/dbraw/zinc/47/35/84/698473584.db2.gz QFSUHALZICXQEX-ZDUSSCGKSA-N 0 1 313.442 1.018 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Cl)cn2C)C1 ZINC000262778319 698480029 /nfs/dbraw/zinc/48/00/29/698480029.db2.gz IPBLNEPVYXQJDT-UHFFFAOYSA-N 0 1 313.785 1.346 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCC2(F)CCC2)C1 ZINC000263426075 698506483 /nfs/dbraw/zinc/50/64/83/698506483.db2.gz XWKKEWMKAZTFAY-UHFFFAOYSA-N 0 1 315.389 1.505 10 0 DDAEMN CC[C@H](CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263499927 698510446 /nfs/dbraw/zinc/51/04/46/698510446.db2.gz KNZPDXBYEITXDR-WBVHZDCISA-N 0 1 320.433 1.897 10 0 DDAEMN CCc1nsc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263543338 698512686 /nfs/dbraw/zinc/51/26/86/698512686.db2.gz FERCMBYESXOCHH-UHFFFAOYSA-N 0 1 310.423 1.840 10 0 DDAEMN CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CC(C(=O)[O-])C2)n1 ZINC000263551127 698513419 /nfs/dbraw/zinc/51/34/19/698513419.db2.gz KWEIDXLJTSEJHB-TZMCWYRMSA-N 0 1 320.393 1.613 10 0 DDAEMN O=C(NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O)c1cccc(F)c1F ZINC000888095116 709211721 /nfs/dbraw/zinc/21/17/21/709211721.db2.gz JCRMUIXDKMYRDS-PTRXPTGYSA-N 0 1 322.315 1.367 10 0 DDAEMN Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)CN3C)C2)n1 ZINC000900604195 709673288 /nfs/dbraw/zinc/67/32/88/709673288.db2.gz RFTSDFSGABBRHE-HLLBOEOZSA-N 0 1 320.437 1.119 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@H]1C ZINC000249382202 282147374 /nfs/dbraw/zinc/14/73/74/282147374.db2.gz VPKARLLBUUBUSC-OLZOCXBDSA-N 0 1 314.426 1.022 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)NC(=O)C3CC3)cc2)CC1 ZINC000082340546 185176581 /nfs/dbraw/zinc/17/65/81/185176581.db2.gz RDWJGNVILNIPFS-UHFFFAOYSA-N 0 1 302.378 1.497 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC1(O)CCOCC1 ZINC000188069731 282181569 /nfs/dbraw/zinc/18/15/69/282181569.db2.gz HIYGNEUAYQAGCZ-INIZCTEOSA-N 0 1 320.433 1.159 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000132627251 539189458 /nfs/dbraw/zinc/18/94/58/539189458.db2.gz VQCYNPGVMWCVME-BBWFWOEESA-N 0 1 304.434 1.827 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc(F)c(Cl)c1 ZINC000087545575 185228179 /nfs/dbraw/zinc/22/81/79/185228179.db2.gz FJHPBZPRLDPKJL-UHFFFAOYSA-N 0 1 303.746 1.723 10 0 DDAEMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2C)c1S(N)(=O)=O ZINC000087900887 185236758 /nfs/dbraw/zinc/23/67/58/185236758.db2.gz HAUWZACGVMZLSM-SECBINFHSA-N 0 1 314.411 1.024 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000183674399 539242911 /nfs/dbraw/zinc/24/29/11/539242911.db2.gz ZAAJEXLLZNBARM-CMPLNLGQSA-N 0 1 323.359 1.148 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)o1 ZINC000088544263 185256870 /nfs/dbraw/zinc/25/68/70/185256870.db2.gz IFDQNPWIJXWMAF-LLVKDONJSA-N 0 1 316.423 1.577 10 0 DDAEMN CCN[C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCCOC ZINC000081985978 192349541 /nfs/dbraw/zinc/34/95/41/192349541.db2.gz QFGXUHQSKKSMGR-HUUCEWRRSA-N 0 1 313.419 1.550 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(CO)cc1 ZINC000088895144 185270132 /nfs/dbraw/zinc/27/01/32/185270132.db2.gz DYRSYLGBXBVBSJ-UHFFFAOYSA-N 0 1 300.424 1.141 10 0 DDAEMN C[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388924 185293899 /nfs/dbraw/zinc/29/38/99/185293899.db2.gz MOXXLGDGAFLFGM-CABZTGNLSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388924 185293900 /nfs/dbraw/zinc/29/39/00/185293900.db2.gz MOXXLGDGAFLFGM-CABZTGNLSA-N 0 1 312.753 1.310 10 0 DDAEMN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(CN)oc1C ZINC000092344127 185313362 /nfs/dbraw/zinc/31/33/62/185313362.db2.gz RZXNVYQVIHOUKU-QMMMGPOBSA-N 0 1 313.379 1.691 10 0 DDAEMN C[N@H+]1CC[C@H](Cn2c3ccncc3nc2SCC(=O)[O-])C1 ZINC000092514863 185323510 /nfs/dbraw/zinc/32/35/10/185323510.db2.gz MEYXOUGRLKMUIL-JTQLQIEISA-N 0 1 306.391 1.560 10 0 DDAEMN Cc1ccc(CO)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092678033 185333367 /nfs/dbraw/zinc/33/33/67/185333367.db2.gz WWCAKZYCEBXGBQ-CQSZACIVSA-N 0 1 312.435 1.202 10 0 DDAEMN CC[C@@H]1CN(S(=O)(=O)c2cn(CC)cn2)[C@@H](CC)CN1 ZINC000092910613 185348579 /nfs/dbraw/zinc/34/85/79/185348579.db2.gz QREXZCYHLIUDIS-NEPJUHHUSA-N 0 1 300.428 1.054 10 0 DDAEMN Cc1csc2nc(C[N@@H+]3CC[C@H](C(=O)[O-])[C@@H]3C)cc(=O)n12 ZINC000092939513 185349726 /nfs/dbraw/zinc/34/97/26/185349726.db2.gz ZKELPBBTOCPXNR-ONGXEEELSA-N 0 1 307.375 1.359 10 0 DDAEMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000261609482 282288313 /nfs/dbraw/zinc/28/83/13/282288313.db2.gz BRTAPFDAPHTSAJ-VHDGCEQUSA-N 0 1 318.417 1.980 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1cnc[nH]1 ZINC000616648525 362766944 /nfs/dbraw/zinc/76/69/44/362766944.db2.gz NUNLSYLRKGXIGB-ZDUSSCGKSA-N 0 1 310.398 1.698 10 0 DDAEMN CN[C@H](c1cnn(-c2ccccc2)c1)C(C)(C)S(C)(=O)=O ZINC000070128657 190860581 /nfs/dbraw/zinc/86/05/81/190860581.db2.gz UJDXELSCYMVSLY-CQSZACIVSA-N 0 1 307.419 1.956 10 0 DDAEMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCCc1cn[nH]n1 ZINC000139494926 186022513 /nfs/dbraw/zinc/02/25/13/186022513.db2.gz QZZIGQZKMPCBHR-LBPRGKRZSA-N 0 1 317.397 1.323 10 0 DDAEMN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000150320344 186056482 /nfs/dbraw/zinc/05/64/82/186056482.db2.gz MZGOWNCFMBPRJB-QMMMGPOBSA-N 0 1 310.341 1.900 10 0 DDAEMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n[nH]1 ZINC000173887308 198265136 /nfs/dbraw/zinc/26/51/36/198265136.db2.gz PNPVQJUTNYKXMV-DOMZBBRYSA-N 0 1 306.410 1.326 10 0 DDAEMN COC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000115751937 353987625 /nfs/dbraw/zinc/98/76/25/353987625.db2.gz DPIUZIHAKQRCII-SWLSCSKDSA-N 0 1 318.373 1.934 10 0 DDAEMN COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCCN(C)C ZINC000074935759 191391130 /nfs/dbraw/zinc/39/11/30/191391130.db2.gz AIXMAZZBNKMNEQ-UHFFFAOYSA-N 0 1 320.842 1.805 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000080868376 192197126 /nfs/dbraw/zinc/19/71/26/192197126.db2.gz FUNUTTKBBPKYOP-VIFPVBQESA-N 0 1 304.441 1.566 10 0 DDAEMN CNc1ncc(S(=O)(=O)NC[C@H](C)N(C)C)cc1Cl ZINC000081693720 192314158 /nfs/dbraw/zinc/31/41/58/192314158.db2.gz PGESKKAMDLNNGW-QMMMGPOBSA-N 0 1 306.819 1.005 10 0 DDAEMN CC(C)(C)n1cc(CN2CCN(Cc3cnc[nH]3)CC2)cn1 ZINC000179522558 199049408 /nfs/dbraw/zinc/04/94/08/199049408.db2.gz XHFUDJCEJKVOTL-UHFFFAOYSA-N 0 1 302.426 1.679 10 0 DDAEMN CC[C@@H](C)N(CCOC)S(=O)(=O)c1c(C)oc(C)c1CN ZINC000089005083 192692503 /nfs/dbraw/zinc/69/25/03/192692503.db2.gz QUEKSAGUWRHRCV-SNVBAGLBSA-N 0 1 318.439 1.791 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000193906080 201141203 /nfs/dbraw/zinc/14/12/03/201141203.db2.gz GJMURUJKZOHJGG-INIZCTEOSA-N 0 1 304.438 1.847 10 0 DDAEMN [NH3+]Cc1nc(C(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])cs1 ZINC000090931312 192952481 /nfs/dbraw/zinc/95/24/81/192952481.db2.gz ZBSSUXXRCSEGDT-LLVKDONJSA-N 0 1 303.343 1.258 10 0 DDAEMN CCCCNC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091488576 193063175 /nfs/dbraw/zinc/06/31/75/193063175.db2.gz JXVFNHPUKXHWSI-UHFFFAOYSA-N 0 1 303.497 1.386 10 0 DDAEMN CC[N@@H+]1CCO[C@H](CN(CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000092059581 193149994 /nfs/dbraw/zinc/14/99/94/193149994.db2.gz AMRBAINAOOAFCO-AWEZNQCLSA-N 0 1 312.797 1.952 10 0 DDAEMN CC[N@H+]1CCO[C@H](CN(CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000092059581 193149996 /nfs/dbraw/zinc/14/99/96/193149996.db2.gz AMRBAINAOOAFCO-AWEZNQCLSA-N 0 1 312.797 1.952 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093778990 193305890 /nfs/dbraw/zinc/30/58/90/193305890.db2.gz BELGEBYPJJAZKD-OQPBUACISA-N 0 1 307.379 1.258 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cscc2C)CC1 ZINC000094247665 193354870 /nfs/dbraw/zinc/35/48/70/193354870.db2.gz GYSWFUCBHAFJJG-LBPRGKRZSA-N 0 1 311.476 1.879 10 0 DDAEMN O=C([O-])c1ccc(NCCC[NH+]2CCOCC2)c(F)c1F ZINC000094270948 193355124 /nfs/dbraw/zinc/35/51/24/193355124.db2.gz GJLVXHUEZMEULU-UHFFFAOYSA-N 0 1 300.305 1.797 10 0 DDAEMN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000094345140 193362610 /nfs/dbraw/zinc/36/26/10/193362610.db2.gz MRFUPJUJZOMPES-KWQFWETISA-N 0 1 313.195 1.883 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000094358964 193364973 /nfs/dbraw/zinc/36/49/73/193364973.db2.gz WKUIEDATHNERLJ-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094226223 193351300 /nfs/dbraw/zinc/35/13/00/193351300.db2.gz NPIDJVOQETVFKZ-KCJUWKMLSA-N 0 1 311.304 1.176 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NCCc2cnc[nH]2)cc1N ZINC000094639626 193387619 /nfs/dbraw/zinc/38/76/19/193387619.db2.gz QTFVLIBXHJZUEF-UHFFFAOYSA-N 0 1 314.798 1.475 10 0 DDAEMN O=C1C[C@H](NC2CC2)C(=O)N1c1ccc(Br)cc1 ZINC000020458040 182219925 /nfs/dbraw/zinc/21/99/25/182219925.db2.gz JOPJXYLRAIMVOD-NSHDSACASA-N 0 1 309.163 1.833 10 0 DDAEMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN2CCC[C@@H]2C1 ZINC000187686289 296230798 /nfs/dbraw/zinc/23/07/98/296230798.db2.gz VQKOJBALTFCATC-DZGCQCFKSA-N 0 1 308.447 1.931 10 0 DDAEMN Cc1nc2n(n1)C(CC(=O)Nc1ccc(C)cc1F)C(=O)N2 ZINC000040375578 183057447 /nfs/dbraw/zinc/05/74/47/183057447.db2.gz FCJPYVZMQWROLS-LLVKDONJSA-N 0 1 303.297 1.556 10 0 DDAEMN COc1ccc(N)cc1NC(=O)[C@H](C)Sc1nnc(C)[nH]1 ZINC000041632610 183212515 /nfs/dbraw/zinc/21/25/15/183212515.db2.gz WGLMTAJYYXORGS-ZETCQYMHSA-N 0 1 307.379 1.823 10 0 DDAEMN COc1ccc(N)cc1NC(=O)[C@H](C)Sc1nc(C)n[nH]1 ZINC000041632610 183212516 /nfs/dbraw/zinc/21/25/16/183212516.db2.gz WGLMTAJYYXORGS-ZETCQYMHSA-N 0 1 307.379 1.823 10 0 DDAEMN CC(C)N(CCO)[C@@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000042479356 183275490 /nfs/dbraw/zinc/27/54/90/183275490.db2.gz PYQJXRDSRRKJEQ-NSHDSACASA-N 0 1 309.435 1.351 10 0 DDAEMN Ic1ccc(CNCCn2cccn2)o1 ZINC000042539500 183282620 /nfs/dbraw/zinc/28/26/20/183282620.db2.gz OAJXWOYWNXHGDM-UHFFFAOYSA-N 0 1 317.130 1.871 10 0 DDAEMN CCCCCN(C(C)C)S(=O)(=O)c1ccnc(NN)c1 ZINC000042552058 183283701 /nfs/dbraw/zinc/28/37/01/183283701.db2.gz VYPAWNDVEQVANW-UHFFFAOYSA-N 0 1 300.428 1.957 10 0 DDAEMN CCn1cc(Br)cc1C(=O)N[C@@H]1CCN(C)C1 ZINC000042549368 183284375 /nfs/dbraw/zinc/28/43/75/183284375.db2.gz NJCRNRGVSFEBMO-SNVBAGLBSA-N 0 1 300.200 1.704 10 0 DDAEMN COc1ccc([C@H](Sc2nc(N)cc(=O)[n-]2)[C@@H](C)[NH3+])cc1 ZINC000042965246 183324459 /nfs/dbraw/zinc/32/44/59/183324459.db2.gz BKCFXJNCSRRNNP-AMIZOPFISA-N 0 1 306.391 1.541 10 0 DDAEMN NNc1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)ccn1 ZINC000042782280 183308557 /nfs/dbraw/zinc/30/85/57/183308557.db2.gz MPFJZBZXMJKCMG-UHFFFAOYSA-N 0 1 310.301 1.083 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(O)cc1 ZINC000042782562 183309127 /nfs/dbraw/zinc/30/91/27/183309127.db2.gz VYASDUWAWXFZAY-UHFFFAOYSA-N 0 1 300.424 1.601 10 0 DDAEMN CCc1nc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n[nH]1 ZINC000284713954 218145711 /nfs/dbraw/zinc/14/57/11/218145711.db2.gz UITHTQVWPVWOGZ-OAHLLOKOSA-N 0 1 319.413 1.023 10 0 DDAEMN O=C(c1ccc2ccccc2n1)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284836077 218200134 /nfs/dbraw/zinc/20/01/34/218200134.db2.gz PHMXPGQUDSFTQE-INIZCTEOSA-N 0 1 309.329 1.087 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC000105822757 194137090 /nfs/dbraw/zinc/13/70/90/194137090.db2.gz KYKZVSFOHCHXDB-HUUCEWRRSA-N 0 1 311.470 1.164 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801387 194131313 /nfs/dbraw/zinc/13/13/13/194131313.db2.gz SYDSLLYDSDBXGU-OAHLLOKOSA-N 0 1 319.453 1.554 10 0 DDAEMN COc1cccc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000105821431 194135873 /nfs/dbraw/zinc/13/58/73/194135873.db2.gz OWKZDRQNEGWHEP-ZIAGYGMSSA-N 0 1 321.421 1.021 10 0 DDAEMN CCOCCN1CCN(CC(=O)NCc2ccco2)C[C@H]1CC ZINC000105837672 194144799 /nfs/dbraw/zinc/14/47/99/194144799.db2.gz CNRXVYUZRYOBBM-OAHLLOKOSA-N 0 1 323.437 1.329 10 0 DDAEMN O=C(CN1CCC[C@H](Cn2cncn2)C1)NC(C1CC1)C1CC1 ZINC000105883868 194156657 /nfs/dbraw/zinc/15/66/57/194156657.db2.gz CLFFYGXCGQINBN-ZDUSSCGKSA-N 0 1 317.437 1.295 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000105902952 194165826 /nfs/dbraw/zinc/16/58/26/194165826.db2.gz BJDCOKZIGIMKRU-IAGOWNOFSA-N 0 1 322.449 1.387 10 0 DDAEMN Cc1sc2ncnc(N3CCN(CC(N)=S)CC3)c2c1C ZINC000109442867 194263419 /nfs/dbraw/zinc/26/34/19/194263419.db2.gz OAFCOWSPWWHKPG-UHFFFAOYSA-N 0 1 321.475 1.716 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000109460259 194265746 /nfs/dbraw/zinc/26/57/46/194265746.db2.gz BHTTWYQMCDZESJ-ZDUSSCGKSA-N 0 1 306.435 1.213 10 0 DDAEMN CN1CCN(CC(=O)Nc2cc(N)ccc2Cl)CC1(C)C ZINC000110704539 194351944 /nfs/dbraw/zinc/35/19/44/194351944.db2.gz HOUGSYNPZLLQKD-UHFFFAOYSA-N 0 1 310.829 1.887 10 0 DDAEMN CN(CC(=O)N[C@@H]1COc2ccccc21)c1ncnc2[nH]cnc21 ZINC000058967736 184133145 /nfs/dbraw/zinc/13/31/45/184133145.db2.gz LHFBZPPOSISERY-LLVKDONJSA-N 0 1 324.344 1.039 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000059514811 184139592 /nfs/dbraw/zinc/13/95/92/184139592.db2.gz GNFZHDMCOUJXKG-QMMMGPOBSA-N 0 1 303.284 1.639 10 0 DDAEMN Cn1cc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c(N)n1 ZINC000061093387 184161979 /nfs/dbraw/zinc/16/19/79/184161979.db2.gz FJPSDNLXFWSKSB-UHFFFAOYSA-N 0 1 306.269 1.220 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCC[C@H]2CN(C)C)cc(N)c1C ZINC000061642498 184180551 /nfs/dbraw/zinc/18/05/51/184180551.db2.gz YQPMVCILDLFCDS-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN O=S(=O)(NOCCN1CCCC1)c1ccc(Cl)cc1 ZINC000062578375 184244423 /nfs/dbraw/zinc/24/44/23/184244423.db2.gz HDAJGUIXVODIMW-UHFFFAOYSA-N 0 1 304.799 1.646 10 0 DDAEMN CCCNc1ncccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000062984600 184265125 /nfs/dbraw/zinc/26/51/25/184265125.db2.gz RIHGRDFSSOBMQG-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CCNC(=O)c1ccc(-c2c[nH+]c(N)cc2C(=O)[O-])cc1F ZINC000065348973 184325923 /nfs/dbraw/zinc/32/59/23/184325923.db2.gz PJCNOFUMXIBJME-UHFFFAOYSA-N 0 1 303.293 1.918 10 0 DDAEMN CC[C@@H](C)NC(=O)c1cccc(NC(=O)CNCCOC)c1 ZINC000066224581 184398123 /nfs/dbraw/zinc/39/81/23/184398123.db2.gz OZFJWHJCPBZWHJ-GFCCVEGCSA-N 0 1 307.394 1.389 10 0 DDAEMN COCCN1CCN([C@H](C(=O)OC)c2ccccc2C)C[C@@H]1C ZINC000248629623 285051456 /nfs/dbraw/zinc/05/14/56/285051456.db2.gz REBHYLOSOPKTGO-RDJZCZTQSA-N 0 1 320.433 1.862 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCC[C@H](Cn3cncn3)C2)o1 ZINC000156673846 197131975 /nfs/dbraw/zinc/13/19/75/197131975.db2.gz YZZZLUMDOVSBHW-ZDUSSCGKSA-N 0 1 318.377 1.960 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1(CO)CCOCC1 ZINC000151534319 196694310 /nfs/dbraw/zinc/69/43/10/196694310.db2.gz PGTQESDOUCCTJM-MRXNPFEDSA-N 0 1 320.433 1.065 10 0 DDAEMN COCC[C@@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]12 ZINC000247912178 257114076 /nfs/dbraw/zinc/11/40/76/257114076.db2.gz YNRJREKPZKSWCB-CKEIUWERSA-N 0 1 305.374 1.899 10 0 DDAEMN CO[C@@H]1CCN(C(=O)C2CC2)[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000247866725 257116170 /nfs/dbraw/zinc/11/61/70/257116170.db2.gz XWZZUFSLXMPBOJ-IXDOHACOSA-N 0 1 315.417 1.539 10 0 DDAEMN COc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1OC ZINC000121024550 195281769 /nfs/dbraw/zinc/28/17/69/195281769.db2.gz NGUMCRSHKFNYBH-HNNXBMFYSA-N 0 1 306.406 1.610 10 0 DDAEMN COc1cccc(CN2CC[C@H](N3CCOCC3)C2)c1OC ZINC000121024550 195281771 /nfs/dbraw/zinc/28/17/71/195281771.db2.gz NGUMCRSHKFNYBH-HNNXBMFYSA-N 0 1 306.406 1.610 10 0 DDAEMN CN1CCO[C@H](CNCc2ccc(Br)cn2)C1 ZINC000078441495 407028535 /nfs/dbraw/zinc/02/85/35/407028535.db2.gz GNZZBXVARPTTNR-GFCCVEGCSA-N 0 1 300.200 1.264 10 0 DDAEMN O=C1NCCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000050394271 407131038 /nfs/dbraw/zinc/13/10/38/407131038.db2.gz IDSZNSFZOUOOAM-LLVKDONJSA-N 0 1 301.159 1.956 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc(F)cc2O)C[C@H]1N1CCOCC1 ZINC000123961584 407343612 /nfs/dbraw/zinc/34/36/12/407343612.db2.gz NVHLNSKMJSLKJM-SMDDNHRTSA-N 0 1 308.353 1.324 10 0 DDAEMN CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000111635638 407413000 /nfs/dbraw/zinc/41/30/00/407413000.db2.gz SVORQXVOXNZCGE-HOTGVXAUSA-N 0 1 317.433 1.144 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000113267815 407485900 /nfs/dbraw/zinc/48/59/00/407485900.db2.gz ZELUDRVHOSPPIM-HUUCEWRRSA-N 0 1 308.447 1.629 10 0 DDAEMN Cc1cc2oc(=O)cc(CN3C[C@@H](O)C[C@@H]3CO)c2cc1C ZINC000179176145 407745171 /nfs/dbraw/zinc/74/51/71/407745171.db2.gz PJSKSDNCFNSZTJ-KGLIPLIRSA-N 0 1 303.358 1.337 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262166494 407757148 /nfs/dbraw/zinc/75/71/48/407757148.db2.gz AJSZBFWIAVGBPL-LLVKDONJSA-N 0 1 306.284 1.218 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000262198047 407764079 /nfs/dbraw/zinc/76/40/79/407764079.db2.gz CVOUCQQMMXZHBG-OLZOCXBDSA-N 0 1 314.332 1.755 10 0 DDAEMN CCOCCN1CCN(C(=O)c2cc(CC)[nH]n2)C[C@H]1CC ZINC000116767921 407772742 /nfs/dbraw/zinc/77/27/42/407772742.db2.gz GWBWGDBCXJLKED-CQSZACIVSA-N 0 1 308.426 1.545 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000262282337 407784136 /nfs/dbraw/zinc/78/41/36/407784136.db2.gz XGNWZIXOKHLYLG-CYBMUJFWSA-N 0 1 300.362 1.662 10 0 DDAEMN COC[C@@H](N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000262264308 407778603 /nfs/dbraw/zinc/77/86/03/407778603.db2.gz JSCYJOMJDPDZBN-LLVKDONJSA-N 0 1 313.785 1.067 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000262379044 407816436 /nfs/dbraw/zinc/81/64/36/407816436.db2.gz XOWMIAVCKSNQPB-AWEZNQCLSA-N 0 1 319.336 1.712 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376357 407816913 /nfs/dbraw/zinc/81/69/13/407816913.db2.gz XGISTVHRAHURKQ-SKDRFNHKSA-N 0 1 304.312 1.726 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000262577145 407872162 /nfs/dbraw/zinc/87/21/62/407872162.db2.gz TYOFAFSEFQRQTM-HNNXBMFYSA-N 0 1 319.405 1.154 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)CCN1C[C@@H](C)O ZINC000174622824 407970671 /nfs/dbraw/zinc/97/06/71/407970671.db2.gz JIQXHXCSYCZRBB-TZMCWYRMSA-N 0 1 324.425 1.004 10 0 DDAEMN CO[C@H](C)c1nc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cs1 ZINC000245454692 407986246 /nfs/dbraw/zinc/98/62/46/407986246.db2.gz ADYLXRKHYFSSNO-RWMBFGLXSA-N 0 1 313.467 1.737 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245584144 408022604 /nfs/dbraw/zinc/02/26/04/408022604.db2.gz IPGFHMIXRQCYIY-AWEZNQCLSA-N 0 1 324.446 1.943 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000245584144 408022605 /nfs/dbraw/zinc/02/26/05/408022605.db2.gz IPGFHMIXRQCYIY-AWEZNQCLSA-N 0 1 324.446 1.943 10 0 DDAEMN COCc1ccsc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000182219479 408098832 /nfs/dbraw/zinc/09/88/32/408098832.db2.gz DMULORQQRXYQHA-NSHDSACASA-N 0 1 322.390 1.535 10 0 DDAEMN Cc1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000136357404 408099822 /nfs/dbraw/zinc/09/98/22/408099822.db2.gz CQGMSSPBAXRSGH-LBPRGKRZSA-N 0 1 300.366 1.249 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3cccc(F)c3)CCO2)n[nH]1 ZINC000175352423 408112840 /nfs/dbraw/zinc/11/28/40/408112840.db2.gz OSLQGYJNOZFNOV-ZDUSSCGKSA-N 0 1 319.340 1.535 10 0 DDAEMN CCOCCN1CCN(Cc2cccc(C(=O)NC)c2)C[C@H]1C ZINC000247001778 408385404 /nfs/dbraw/zinc/38/54/04/408385404.db2.gz OZOHVOXPJMMUNI-OAHLLOKOSA-N 0 1 319.449 1.589 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CSc3ccccc3)CCO2)n[nH]1 ZINC000173527993 162345500 /nfs/dbraw/zinc/34/55/00/162345500.db2.gz WZJQPMKLMWYDJR-CYBMUJFWSA-N 0 1 318.402 1.805 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173547993 162347099 /nfs/dbraw/zinc/34/70/99/162347099.db2.gz JDEOSBCQCDRYER-LBPRGKRZSA-N 0 1 308.288 1.605 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccnc3Cl)CCO2)n[nH]1 ZINC000173603789 162351200 /nfs/dbraw/zinc/35/12/00/162351200.db2.gz ZFBYGUUYNWRMNP-SNVBAGLBSA-N 0 1 307.741 1.375 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173669328 162355258 /nfs/dbraw/zinc/35/52/58/162355258.db2.gz CJDUOLJPCQVWLG-ZDUSSCGKSA-N 0 1 309.414 1.135 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)c3c(F)cccc3F)CCO2)n[nH]1 ZINC000173676345 162355325 /nfs/dbraw/zinc/35/53/25/162355325.db2.gz NOQNHGFQBBABSP-STQMWFEESA-N 0 1 324.331 1.498 10 0 DDAEMN Cc1nc([C@H]2CN(CCCOCC(F)(F)F)CCO2)n[nH]1 ZINC000173667089 162356313 /nfs/dbraw/zinc/35/63/13/162356313.db2.gz NMUBXWVFZWODQM-SNVBAGLBSA-N 0 1 308.304 1.455 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)n[nH]1 ZINC000173679707 162356526 /nfs/dbraw/zinc/35/65/26/162356526.db2.gz QXHVZWJRMUYULX-INIZCTEOSA-N 0 1 324.388 1.872 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000159981202 408449647 /nfs/dbraw/zinc/44/96/47/408449647.db2.gz ZFZSCMFFHMVIBW-VIFPVBQESA-N 0 1 303.156 1.370 10 0 DDAEMN CC(C)c1nnc(CCC(=O)N2CCN3CCCC[C@@H]3C2)o1 ZINC000176671661 408416249 /nfs/dbraw/zinc/41/62/49/408416249.db2.gz ITCLPNSDVUFRLJ-CYBMUJFWSA-N 0 1 306.410 1.822 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000247492629 408481546 /nfs/dbraw/zinc/48/15/46/408481546.db2.gz UKXJCNWMRYZJGO-BRWVUGGUSA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1csc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000176950130 408482775 /nfs/dbraw/zinc/48/27/75/408482775.db2.gz UBTHTCJFDSOGJH-SECBINFHSA-N 0 1 308.367 1.483 10 0 DDAEMN Cc1cnc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000176961308 408483336 /nfs/dbraw/zinc/48/33/36/408483336.db2.gz NMMJYEVNZKRVGQ-SECBINFHSA-N 0 1 308.367 1.483 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000247550033 408491169 /nfs/dbraw/zinc/49/11/69/408491169.db2.gz ZELUDRVHOSPPIM-CABCVRRESA-N 0 1 308.447 1.629 10 0 DDAEMN O=S(=O)(Cc1ccc(Cl)nc1)N1CCN2CCC[C@H]2C1 ZINC000247601538 408497363 /nfs/dbraw/zinc/49/73/63/408497363.db2.gz UPTFXWRIJMUNHB-LBPRGKRZSA-N 0 1 315.826 1.345 10 0 DDAEMN CN(CCN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000192016117 408529287 /nfs/dbraw/zinc/52/92/87/408529287.db2.gz PJHLVRVSNCJHPQ-KRWDZBQOSA-N 0 1 319.449 1.994 10 0 DDAEMN CN(CCN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000192016117 408529290 /nfs/dbraw/zinc/52/92/90/408529290.db2.gz PJHLVRVSNCJHPQ-KRWDZBQOSA-N 0 1 319.449 1.994 10 0 DDAEMN COC(=O)c1coc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000177215288 408555189 /nfs/dbraw/zinc/55/51/89/408555189.db2.gz QPSGUVAXKYDWLR-WFASDCNBSA-N 0 1 308.378 1.219 10 0 DDAEMN C[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177234688 408559685 /nfs/dbraw/zinc/55/96/85/408559685.db2.gz UWFONQFMIVBCQB-CABCVRRESA-N 0 1 311.470 1.191 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@H](C)CCCOC)CCO2)n[nH]1 ZINC000182055758 162811195 /nfs/dbraw/zinc/81/11/95/162811195.db2.gz RFWCEOGBUZLITG-VXGBXAGGSA-N 0 1 310.398 1.330 10 0 DDAEMN OC[C@H]1C[C@H](O)C[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000185157931 408771567 /nfs/dbraw/zinc/77/15/67/408771567.db2.gz JTMKEOCBKLPLJT-OLZOCXBDSA-N 0 1 319.323 1.902 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250206810 408777056 /nfs/dbraw/zinc/77/70/56/408777056.db2.gz RJCSMSBRDWRADF-GJZGRUSLSA-N 0 1 307.438 1.332 10 0 DDAEMN CC(C)n1cc([C@]2(O)CCCN(Cc3cccnc3)C2)nn1 ZINC000285660046 408837123 /nfs/dbraw/zinc/83/71/23/408837123.db2.gz YIHJRHUUYXTFTP-INIZCTEOSA-N 0 1 301.394 1.738 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1CCC(=O)N1CCc2sccc2C1 ZINC000189298546 163094048 /nfs/dbraw/zinc/09/40/48/163094048.db2.gz CCDBNLXNEDIVJG-GFCCVEGCSA-N 0 1 321.446 1.233 10 0 DDAEMN CC[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)CCN1CCOC ZINC000191337288 163182137 /nfs/dbraw/zinc/18/21/37/163182137.db2.gz DGSZZDLQQXBKMJ-OAHLLOKOSA-N 0 1 309.458 1.576 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2ccc(OC)cc2)CCCCC1 ZINC000262237540 163791600 /nfs/dbraw/zinc/79/16/00/163791600.db2.gz HLMRGDFLKMFEGD-INIZCTEOSA-N 0 1 320.433 1.987 10 0 DDAEMN C[N@@H+](C[C@@H](O)COCc1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000309758679 409790164 /nfs/dbraw/zinc/79/01/64/409790164.db2.gz XMFYBHQDNURULM-OAHLLOKOSA-N 0 1 307.390 1.893 10 0 DDAEMN C[C@@H](Nc1ncnc2[nH]cnc21)C(=O)N1CCc2ccccc21 ZINC000301180788 410673360 /nfs/dbraw/zinc/67/33/60/410673360.db2.gz NAXNZNZMNCKRME-SNVBAGLBSA-N 0 1 308.345 1.743 10 0 DDAEMN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000360702168 418495736 /nfs/dbraw/zinc/49/57/36/418495736.db2.gz ZOMJIQLVFLGIPO-KBMXLJTQSA-N 0 1 309.454 1.622 10 0 DDAEMN Cc1ncsc1/C=C\C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000492661159 420620107 /nfs/dbraw/zinc/62/01/07/420620107.db2.gz FZZMDVKBLRVKNZ-DFPOMNKCSA-N 0 1 309.435 1.378 10 0 DDAEMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000634829655 422672707 /nfs/dbraw/zinc/67/27/07/422672707.db2.gz CLVILJAOLNGTCG-HRCADAONSA-N 0 1 316.401 1.734 10 0 DDAEMN NC(=O)C[C@]1(O)CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000643746198 423310703 /nfs/dbraw/zinc/31/07/03/423310703.db2.gz FSQHPDCCOWQGAY-QGZVFWFLSA-N 0 1 320.389 1.050 10 0 DDAEMN CCN1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)c2ccccc21 ZINC000329183158 276191635 /nfs/dbraw/zinc/19/16/35/276191635.db2.gz OTNVZBJJCNLVJC-LBPRGKRZSA-N 0 1 311.389 1.783 10 0 DDAEMN CCN1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)c2ccccc21 ZINC000329183158 276191637 /nfs/dbraw/zinc/19/16/37/276191637.db2.gz OTNVZBJJCNLVJC-LBPRGKRZSA-N 0 1 311.389 1.783 10 0 DDAEMN C[C@H](c1nn[nH]n1)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000032590200 278316852 /nfs/dbraw/zinc/31/68/52/278316852.db2.gz RNQDATQIMFLVSD-JGVFFNPUSA-N 0 1 316.390 1.705 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccccn3)C2=O)n(C)n1 ZINC000182339400 280551651 /nfs/dbraw/zinc/55/16/51/280551651.db2.gz WABHQOXAZJNSHR-DZGCQCFKSA-N 0 1 313.405 1.970 10 0 DDAEMN C[C@H](C(=O)[O-])N(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000263559565 298202806 /nfs/dbraw/zinc/20/28/06/298202806.db2.gz QLRZDECPEIRIMI-QWHCGFSZSA-N 0 1 304.390 1.971 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@@H]2CCCO2)C[C@@H]1CC ZINC000172113178 298241997 /nfs/dbraw/zinc/24/19/97/298241997.db2.gz LTOWTOCLMRXQHF-GJZGRUSLSA-N 0 1 313.442 1.308 10 0 DDAEMN O=C(c1ccc(Br)o1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404241749 307297887 /nfs/dbraw/zinc/29/78/87/307297887.db2.gz XPMJPRLFEVCHIG-BDAKNGLRSA-N 0 1 315.167 1.245 10 0 DDAEMN CCn1cnnc1CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226314635 484158700 /nfs/dbraw/zinc/15/87/00/484158700.db2.gz ALMZHFPXCPZWKK-UHFFFAOYSA-N 0 1 309.414 1.787 10 0 DDAEMN O=C(C[C@@H]1CCCCNC1=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000328790299 534687843 /nfs/dbraw/zinc/68/78/43/534687843.db2.gz QEYNAWOYVVAHDO-GJZGRUSLSA-N 0 1 323.437 1.314 10 0 DDAEMN COCCN1CCN(CN2C(=O)C[C@H]2c2ccccc2)C[C@@H]1C ZINC000117322009 696670484 /nfs/dbraw/zinc/67/04/84/696670484.db2.gz FHUDEBUECGZEIG-RDJZCZTQSA-N 0 1 317.433 1.570 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000174083817 697384096 /nfs/dbraw/zinc/38/40/96/697384096.db2.gz BPCKCKMNVZXZDW-CVEARBPZSA-N 0 1 312.841 1.762 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177169496 697410543 /nfs/dbraw/zinc/41/05/43/697410543.db2.gz LKXSDEYYKGFSQJ-SGMGOOAPSA-N 0 1 311.426 1.499 10 0 DDAEMN CCc1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc(=O)[nH]1 ZINC000182672915 697478203 /nfs/dbraw/zinc/47/82/03/697478203.db2.gz KMMCEZSDGXEUPS-LBPRGKRZSA-N 0 1 301.350 1.423 10 0 DDAEMN CO[C@@H](C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190653275 697594614 /nfs/dbraw/zinc/59/46/14/697594614.db2.gz XJDTWICNUISKAY-GOEBONIOSA-N 0 1 305.422 1.787 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)N2CCO[C@@H](C)C2)C12CCCC2 ZINC000247134277 698361911 /nfs/dbraw/zinc/36/19/11/698361911.db2.gz XJSXZKXDWVTUMH-HRCADAONSA-N 0 1 324.465 1.903 10 0 DDAEMN C[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H]1CCCO1 ZINC000261946487 698446568 /nfs/dbraw/zinc/44/65/68/698446568.db2.gz MIUUGRWJDHWUIJ-WPGHFRTFSA-N 0 1 301.390 1.721 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)C(F)(F)F ZINC000262490805 698471693 /nfs/dbraw/zinc/47/16/93/698471693.db2.gz KZIBUKOXBXEWCS-JQWIXIFHSA-N 0 1 315.295 1.077 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000263008963 698487718 /nfs/dbraw/zinc/48/77/18/698487718.db2.gz YJVFJIMRCHHZSI-OAHLLOKOSA-N 0 1 322.380 1.766 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000263018969 698488219 /nfs/dbraw/zinc/48/82/19/698488219.db2.gz ZTRPYFRVOWLURD-GOEBONIOSA-N 0 1 316.401 1.724 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC(C(=O)[O-])C2)n1 ZINC000263551125 698513604 /nfs/dbraw/zinc/51/36/04/698513604.db2.gz KWEIDXLJTSEJHB-JSGCOSHPSA-N 0 1 320.393 1.613 10 0 DDAEMN Cc1c[nH]c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702763969 699232377 /nfs/dbraw/zinc/23/23/77/699232377.db2.gz OGWGZOWLXQLCFQ-VXGBXAGGSA-N 0 1 310.398 1.036 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)c1cn[nH]n1)N(C)Cc1ccccc1 ZINC000898149127 708556614 /nfs/dbraw/zinc/55/66/14/708556614.db2.gz COXIYQSIANSURK-GFCCVEGCSA-N 0 1 301.394 1.677 10 0 DDAEMN CCc1noc(C)c1CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000888077124 709209822 /nfs/dbraw/zinc/20/98/22/709209822.db2.gz LSLXAWBIJIMGIF-MRXNPFEDSA-N 0 1 319.409 1.244 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000074731541 185013885 /nfs/dbraw/zinc/01/38/85/185013885.db2.gz UJZUYBSKSOVYKL-UHFFFAOYSA-N 0 1 313.235 1.263 10 0 DDAEMN CCCOc1ccc([C@H](CS(=O)(=O)CCOC)NC)cc1 ZINC000081943172 192344628 /nfs/dbraw/zinc/34/46/28/192344628.db2.gz GLFFSNYIPJPIMB-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1cccc(Cl)c1F ZINC000087545315 185227960 /nfs/dbraw/zinc/22/79/60/185227960.db2.gz RTRWWMHDUROWLA-UHFFFAOYSA-N 0 1 303.746 1.723 10 0 DDAEMN O=C(C[C@H]1CCCCNC1=O)N1CCN(C2CCOCC2)CC1 ZINC000328781383 231341386 /nfs/dbraw/zinc/34/13/86/231341386.db2.gz MVGLYGZJWNGAHB-CQSZACIVSA-N 0 1 323.437 1.456 10 0 DDAEMN COCCNCc1c(Cl)cccc1N1CCCNC(=O)C1 ZINC000087885129 185234411 /nfs/dbraw/zinc/23/44/11/185234411.db2.gz DMCCZUGXKIKIGP-UHFFFAOYSA-N 0 1 311.813 1.402 10 0 DDAEMN CC1(C)CNCCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000088139489 185240740 /nfs/dbraw/zinc/24/07/40/185240740.db2.gz OQEQQXTUZWWWDP-UHFFFAOYSA-N 0 1 308.325 1.476 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCOCC2(C)C)o1 ZINC000088544318 185256737 /nfs/dbraw/zinc/25/67/37/185256737.db2.gz HGDKABSPFJSHGG-UHFFFAOYSA-N 0 1 316.423 1.577 10 0 DDAEMN CN[C@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081985130 192349142 /nfs/dbraw/zinc/34/91/42/192349142.db2.gz ZDLKLNLMFDSNTQ-CQSZACIVSA-N 0 1 301.408 1.407 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2CCC(COC)CC2)o1 ZINC000088551156 185257518 /nfs/dbraw/zinc/25/75/18/185257518.db2.gz UBRSVNPPQKNOJV-UHFFFAOYSA-N 0 1 302.396 1.046 10 0 DDAEMN Cc1ncsc1CN1CCC([N@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000088870171 185267342 /nfs/dbraw/zinc/26/73/42/185267342.db2.gz OSTWZSIJFDNFLA-ZDUSSCGKSA-N 0 1 309.435 1.965 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081986480 192349746 /nfs/dbraw/zinc/34/97/46/192349746.db2.gz JLPAMPRVSBRWRJ-OAHLLOKOSA-N 0 1 315.435 1.797 10 0 DDAEMN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000253552341 282216782 /nfs/dbraw/zinc/21/67/82/282216782.db2.gz GYZZUZOUVPKLSL-BXUZGUMPSA-N 0 1 314.389 1.794 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000253552341 282216788 /nfs/dbraw/zinc/21/67/88/282216788.db2.gz GYZZUZOUVPKLSL-BXUZGUMPSA-N 0 1 314.389 1.794 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1cccc(C)c1 ZINC000088885995 185269059 /nfs/dbraw/zinc/26/90/59/185269059.db2.gz JSXPNRYBEYSWOQ-UHFFFAOYSA-N 0 1 309.391 1.340 10 0 DDAEMN CC(C)C[N@H+]1CCO[C@H](CN(CC(=O)[O-])CC(F)(F)F)C1 ZINC000092442832 185318741 /nfs/dbraw/zinc/31/87/41/185318741.db2.gz NDCKAUYHKRDNOK-NSHDSACASA-N 0 1 312.332 1.292 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092661437 185331990 /nfs/dbraw/zinc/33/19/90/185331990.db2.gz MLZRATLEGNBLNW-VIFPVBQESA-N 0 1 311.304 1.081 10 0 DDAEMN C[C@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1ccc(Cl)cc1 ZINC000092781397 185340489 /nfs/dbraw/zinc/34/04/89/185340489.db2.gz OTZBFRJFWBSEAB-TVQRCGJNSA-N 0 1 304.781 1.955 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c(C)c1F ZINC000181674800 199336640 /nfs/dbraw/zinc/33/66/40/199336640.db2.gz CFAPDBJAZRPCFV-LLVKDONJSA-N 0 1 316.398 1.467 10 0 DDAEMN Cc1nccc(N2CCS(=O)(=O)CC2)c1Br ZINC000667362472 539561129 /nfs/dbraw/zinc/56/11/29/539561129.db2.gz ZFPHBCUWILHHOY-UHFFFAOYSA-N 0 1 305.197 1.387 10 0 DDAEMN Cc1c(NC2=NC(=O)CS2)c(=O)n(-c2ccccc2)n1C ZINC000072412543 191155385 /nfs/dbraw/zinc/15/53/85/191155385.db2.gz UNQPTTHHLAMFGW-UHFFFAOYSA-N 0 1 302.359 1.526 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000173981942 198275672 /nfs/dbraw/zinc/27/56/72/198275672.db2.gz WBHMTGDCADCMOL-BXUZGUMPSA-N 0 1 324.808 1.838 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2c[nH]cn2)n1 ZINC000080869072 192197044 /nfs/dbraw/zinc/19/70/44/192197044.db2.gz WFLMSLOEGQJFBF-ZETCQYMHSA-N 0 1 301.397 1.338 10 0 DDAEMN CCC[N@@H+](CC)CCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263153679 283169674 /nfs/dbraw/zinc/16/96/74/283169674.db2.gz BJQCPOZVWQPFHX-XJKSGUPXSA-N 0 1 311.426 1.615 10 0 DDAEMN O=C([O-])CCCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081536653 192285271 /nfs/dbraw/zinc/28/52/71/192285271.db2.gz XBWVTYQEVPTJLL-UHFFFAOYSA-N 0 1 306.288 1.758 10 0 DDAEMN O=C([O-])CCCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081536653 192285274 /nfs/dbraw/zinc/28/52/74/192285274.db2.gz XBWVTYQEVPTJLL-UHFFFAOYSA-N 0 1 306.288 1.758 10 0 DDAEMN C[C@H](CN1CCCC1)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081694118 192314600 /nfs/dbraw/zinc/31/46/00/192314600.db2.gz GFXHNZYVXSHZKH-SECBINFHSA-N 0 1 318.830 1.080 10 0 DDAEMN COc1cccc(CN[C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000237417930 202259337 /nfs/dbraw/zinc/25/93/37/202259337.db2.gz HDZQAFJIVQJDLH-CYBMUJFWSA-N 0 1 301.394 1.910 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C[C@@H](C)O ZINC000180750000 199204876 /nfs/dbraw/zinc/20/48/76/199204876.db2.gz ZCRMSDUJYWRQGB-ZBFHGGJFSA-N 0 1 319.449 1.670 10 0 DDAEMN Cc1nn(C)c(CC(=O)C(C)(C)N(C)C)c1Br ZINC000091528098 193069853 /nfs/dbraw/zinc/06/98/53/193069853.db2.gz KAGFOEQLNDLCTP-UHFFFAOYSA-N 0 1 302.216 1.943 10 0 DDAEMN O=C([O-])CCN1CC[NH+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092289788 193185433 /nfs/dbraw/zinc/18/54/33/193185433.db2.gz ITDGKMDBTMNYIR-CYBMUJFWSA-N 0 1 306.431 1.968 10 0 DDAEMN CC(=O)Nc1ccsc1CNCC(C)(C)S(C)(=O)=O ZINC000093520659 193262989 /nfs/dbraw/zinc/26/29/89/193262989.db2.gz GCOGUCVKXIGHEG-UHFFFAOYSA-N 0 1 304.437 1.619 10 0 DDAEMN CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776200 193304940 /nfs/dbraw/zinc/30/49/40/193304940.db2.gz WRDLNPGMZBOJTG-IINYFYTJSA-N 0 1 310.423 1.028 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2c(C)cc(N)cc2C)C1 ZINC000093648536 193283427 /nfs/dbraw/zinc/28/34/27/193283427.db2.gz RNOCVGDDPAZBPY-AWEZNQCLSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1nc([C@H]2CN(C)CCN2C)[nH]c(=O)c1Br ZINC000093893063 193323706 /nfs/dbraw/zinc/32/37/06/193323706.db2.gz OUGRKNDLUSHRMA-MRVPVSSYSA-N 0 1 301.188 1.171 10 0 DDAEMN C[C@@H](N)c1nc(-c2nc([C@@H]3CN(C)CCN3C)no2)cs1 ZINC000093892791 193324330 /nfs/dbraw/zinc/32/43/30/193324330.db2.gz PAWGHKHUTOLLOY-SCZZXKLOSA-N 0 1 308.411 1.131 10 0 DDAEMN COCCNCC(=O)Nc1cc(C)c(Br)cn1 ZINC000094063665 193342560 /nfs/dbraw/zinc/34/25/60/193342560.db2.gz AXXZCGIAWAVZJK-UHFFFAOYSA-N 0 1 302.172 1.327 10 0 DDAEMN CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000636281930 422774901 /nfs/dbraw/zinc/77/49/01/422774901.db2.gz CZGBQKPPPSIVIL-SQCNAZHOSA-N 0 1 318.421 1.271 10 0 DDAEMN CO[C@@H]1C[C@@H](CO)N(Cc2cn(-c3ccccc3)nc2C)C1 ZINC000284622952 218103678 /nfs/dbraw/zinc/10/36/78/218103678.db2.gz RVPKUTDUDGCGRM-DLBZAZTESA-N 0 1 301.390 1.762 10 0 DDAEMN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(C(N)=O)cc1 ZINC000284740351 218158071 /nfs/dbraw/zinc/15/80/71/218158071.db2.gz UTCWGHHMHFTDSS-YESZJQIVSA-N 0 1 318.417 1.801 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2cc(F)ccc2F)C[C@H]1C ZINC000105833826 194141340 /nfs/dbraw/zinc/14/13/40/194141340.db2.gz MJEBBAWUAWRSLX-WBMJQRKESA-N 0 1 314.376 1.651 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932721 194173476 /nfs/dbraw/zinc/17/34/76/194173476.db2.gz MBVDGMFTDILAEU-RYUDHWBXSA-N 0 1 311.813 1.587 10 0 DDAEMN COCCN(C)CCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000061376743 184169624 /nfs/dbraw/zinc/16/96/24/184169624.db2.gz NPTZDLOPDZURSQ-AWEZNQCLSA-N 0 1 312.435 1.073 10 0 DDAEMN CCN(CC)[C@H](CNS(=O)(=O)NC)c1ccc(Cl)cc1 ZINC000062358380 184232687 /nfs/dbraw/zinc/23/26/87/184232687.db2.gz JQCBEBYEUICURC-CYBMUJFWSA-N 0 1 319.858 1.777 10 0 DDAEMN CS(=O)(=O)CCC[N@@H+]1CCc2sccc2[C@H]1C(=O)[O-] ZINC000063016116 184267015 /nfs/dbraw/zinc/26/70/15/184267015.db2.gz OMWPYAKVJOWSKT-NSHDSACASA-N 0 1 303.405 1.167 10 0 DDAEMN CS(=O)(=O)CCC[N@H+]1CCc2sccc2[C@H]1C(=O)[O-] ZINC000063016116 184267017 /nfs/dbraw/zinc/26/70/17/184267017.db2.gz OMWPYAKVJOWSKT-NSHDSACASA-N 0 1 303.405 1.167 10 0 DDAEMN CCOCCS(=O)(=O)Nc1ccccc1OCC(N)=S ZINC000063153995 184274134 /nfs/dbraw/zinc/27/41/34/184274134.db2.gz FAEXKHQVIJCCHY-UHFFFAOYSA-N 0 1 318.420 1.130 10 0 DDAEMN Cc1cccc(OCCCCS(=O)(=O)c2n[nH]c(N)n2)c1 ZINC000008015879 406774414 /nfs/dbraw/zinc/77/44/14/406774414.db2.gz JYXFBZXAANAAEH-UHFFFAOYSA-N 0 1 310.379 1.328 10 0 DDAEMN CCOC(=O)N[C@@H]1CCCN(C[C@H](O)COC(C)(C)C)C1 ZINC000047796510 407080862 /nfs/dbraw/zinc/08/08/62/407080862.db2.gz RDAOFMBIFYXTSJ-OLZOCXBDSA-N 0 1 302.415 1.373 10 0 DDAEMN CCOc1cc(CN2CCN(C[C@H](O)CC)CC2)ccc1OC ZINC000123530830 407331295 /nfs/dbraw/zinc/33/12/95/407331295.db2.gz IYRBRZWALBTFEL-MRXNPFEDSA-N 0 1 322.449 1.982 10 0 DDAEMN CSCCc1nc([C@@H]2CCCCC[N@@H+]2C)n(CC(=O)[O-])n1 ZINC000097785658 407302714 /nfs/dbraw/zinc/30/27/14/407302714.db2.gz BNSNKELTMOCGCA-NSHDSACASA-N 0 1 312.439 1.815 10 0 DDAEMN CSCCc1nc([C@@H]2CCCCC[N@H+]2C)n(CC(=O)[O-])n1 ZINC000097785658 407302716 /nfs/dbraw/zinc/30/27/16/407302716.db2.gz BNSNKELTMOCGCA-NSHDSACASA-N 0 1 312.439 1.815 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(F)cc2O)C[C@H]1N1CCOCC1 ZINC000123961374 407343665 /nfs/dbraw/zinc/34/36/65/407343665.db2.gz NVHLNSKMJSLKJM-BXUZGUMPSA-N 0 1 308.353 1.324 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000105825660 407355934 /nfs/dbraw/zinc/35/59/34/407355934.db2.gz ICXNOYIJZSTTLH-HZPDHXFCSA-N 0 1 311.470 1.022 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC(C)CC2)CCN1C[C@@H](C)O ZINC000105825660 407355935 /nfs/dbraw/zinc/35/59/35/407355935.db2.gz ICXNOYIJZSTTLH-HZPDHXFCSA-N 0 1 311.470 1.022 10 0 DDAEMN COC(=O)[C@H](C)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106907171 407366578 /nfs/dbraw/zinc/36/65/78/407366578.db2.gz FUPRJJYGHOFZMP-HIFRSBDPSA-N 0 1 306.406 1.427 10 0 DDAEMN COc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000112362183 407427404 /nfs/dbraw/zinc/42/74/04/407427404.db2.gz VQEHPUVQWXLQFE-SNVBAGLBSA-N 0 1 318.826 1.673 10 0 DDAEMN O=S(=O)(c1c(F)cccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000185619373 407464084 /nfs/dbraw/zinc/46/40/84/407464084.db2.gz NQEXJIKXOJOSBH-SNVBAGLBSA-N 0 1 318.801 1.948 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)[nH]1 ZINC000128395464 407531067 /nfs/dbraw/zinc/53/10/67/407531067.db2.gz ZZKXZPPAYYSUCL-GFCCVEGCSA-N 0 1 301.394 1.440 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H](C)CSC)C[C@H]1CC ZINC000116767670 407774275 /nfs/dbraw/zinc/77/42/75/407774275.db2.gz FKCCATNVAMDPGJ-UONOGXRCSA-N 0 1 302.484 1.945 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000262245753 407776726 /nfs/dbraw/zinc/77/67/26/407776726.db2.gz IDCHHBWVBCUGKT-GFCCVEGCSA-N 0 1 309.366 1.785 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000262298337 407787153 /nfs/dbraw/zinc/78/71/53/407787153.db2.gz NPSGNTPOEOBCLQ-GFCCVEGCSA-N 0 1 308.769 1.497 10 0 DDAEMN CCOC(=O)CN(CC)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000171982679 407797651 /nfs/dbraw/zinc/79/76/51/407797651.db2.gz WTXOYXNADIMDBI-OAHLLOKOSA-N 0 1 306.406 1.571 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000262440082 407836849 /nfs/dbraw/zinc/83/68/49/407836849.db2.gz USXKXRDEXBUSTN-ZWNOBZJWSA-N 0 1 304.350 1.327 10 0 DDAEMN COc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1O ZINC000180109808 407854884 /nfs/dbraw/zinc/85/48/84/407854884.db2.gz YCOHJDFPTKYTAR-AWEZNQCLSA-N 0 1 304.350 1.401 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)O1 ZINC000180288886 407871443 /nfs/dbraw/zinc/87/14/43/407871443.db2.gz LNAZFHNFWBZMLX-WBVHZDCISA-N 0 1 324.465 1.905 10 0 DDAEMN C[C@@H]1CC[C@@H](CC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000262675797 407896813 /nfs/dbraw/zinc/89/68/13/407896813.db2.gz AIRULIMRHDMKPJ-MCIONIFRSA-N 0 1 312.410 1.057 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC2(C)CCCCC2)C1 ZINC000262946063 407980967 /nfs/dbraw/zinc/98/09/67/407980967.db2.gz AFSBQGBPZDPSOG-UHFFFAOYSA-N 0 1 311.426 1.946 10 0 DDAEMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]1 ZINC000262745256 407914109 /nfs/dbraw/zinc/91/41/09/407914109.db2.gz ACGICIXKQMKDLG-YUMQZZPRSA-N 0 1 308.325 1.523 10 0 DDAEMN COc1ccccc1NCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174355161 407938114 /nfs/dbraw/zinc/93/81/14/407938114.db2.gz COCKZZPQBZALME-UONOGXRCSA-N 0 1 321.421 1.021 10 0 DDAEMN COc1cccc(NC(=O)CC[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263184279 408050374 /nfs/dbraw/zinc/05/03/74/408050374.db2.gz URFMAXXOZDKRNN-NSHDSACASA-N 0 1 306.362 1.961 10 0 DDAEMN CC[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)CCN1CCOC ZINC000174737140 407985131 /nfs/dbraw/zinc/98/51/31/407985131.db2.gz IAFNAFUJWWZRNI-HNNXBMFYSA-N 0 1 320.437 1.330 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)CN1CCC(C)CC1)CC2 ZINC000119106718 407995477 /nfs/dbraw/zinc/99/54/77/407995477.db2.gz CVELUUBKGQTWFB-CYBMUJFWSA-N 0 1 305.426 1.003 10 0 DDAEMN CC(C)(C)[C@H](O)CNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000119100896 407997354 /nfs/dbraw/zinc/99/73/54/407997354.db2.gz SWKGJJVUXRNGIV-SNVBAGLBSA-N 0 1 311.325 1.789 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccs2)CCN1C[C@@H](C)O ZINC000181525387 408008762 /nfs/dbraw/zinc/00/87/62/408008762.db2.gz ZNAUXVFTQPYPDO-OLZOCXBDSA-N 0 1 311.451 1.735 10 0 DDAEMN Cc1nc([C@H]2CN(CCCC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000181923248 408053228 /nfs/dbraw/zinc/05/32/28/408053228.db2.gz WDYNKXILLJBSRJ-GFCCVEGCSA-N 0 1 310.398 1.608 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000245803399 408071770 /nfs/dbraw/zinc/07/17/70/408071770.db2.gz YEUCFLOTYVCBMC-QWRGUYRKSA-N 0 1 302.340 1.991 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnc3c(C)cccn23)C1 ZINC000263476118 408148581 /nfs/dbraw/zinc/14/85/81/408148581.db2.gz FIWZJKOCDGYXDZ-UHFFFAOYSA-N 0 1 316.405 1.670 10 0 DDAEMN Cc1cc(F)ccc1CN1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263534605 408167435 /nfs/dbraw/zinc/16/74/35/408167435.db2.gz YLKCTOVADLCGOY-HNNXBMFYSA-N 0 1 310.369 1.351 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2OC)C1 ZINC000122192242 408264070 /nfs/dbraw/zinc/26/40/70/408264070.db2.gz DMHWCTBGEUXORQ-ZDUSSCGKSA-N 0 1 319.405 1.543 10 0 DDAEMN C[C@H]1OCCC[C@H]1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000190265065 408203626 /nfs/dbraw/zinc/20/36/26/408203626.db2.gz KGQKKGFAODDDRJ-TZMCWYRMSA-N 0 1 314.389 1.946 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1N1CCOCC1 ZINC000246634611 408305781 /nfs/dbraw/zinc/30/57/81/408305781.db2.gz ZQIBIPQGGJDOTJ-HZPDHXFCSA-N 0 1 309.454 1.042 10 0 DDAEMN CCNC(=O)C(C)(C)CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000131307552 162011107 /nfs/dbraw/zinc/01/11/07/162011107.db2.gz DFSXYVPKKAMQFI-CYBMUJFWSA-N 0 1 310.442 1.028 10 0 DDAEMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000172895546 162311069 /nfs/dbraw/zinc/31/10/69/162311069.db2.gz GOQMGFWTGBHIQS-XJKSGUPXSA-N 0 1 318.465 1.912 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc(C)c3C)CCO2)n[nH]1 ZINC000173538145 162347474 /nfs/dbraw/zinc/34/74/74/162347474.db2.gz YRSKUDNSVYOTLD-AWEZNQCLSA-N 0 1 300.362 1.944 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccnc4ccccc43)CCO2)n[nH]1 ZINC000173605913 162350713 /nfs/dbraw/zinc/35/07/13/162350713.db2.gz DWSMMQJIZZMQNH-OAHLLOKOSA-N 0 1 323.356 1.875 10 0 DDAEMN COc1ccccc1OCCN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173668371 162355010 /nfs/dbraw/zinc/35/50/10/162355010.db2.gz NLPZIAGPOZSLPD-HNNXBMFYSA-N 0 1 318.377 1.574 10 0 DDAEMN CC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCN1CCOC ZINC000247047299 408398129 /nfs/dbraw/zinc/39/81/29/408398129.db2.gz FDNTWCSQHMFPNI-DLBZAZTESA-N 0 1 322.449 1.469 10 0 DDAEMN C[C@H](CNC(=O)[C@H]1C[C@H]1C1CCCCC1)N1CCN(C)CC1 ZINC000247515740 408487629 /nfs/dbraw/zinc/48/76/29/408487629.db2.gz WAIHHBFPWWPAQP-PVAVHDDUSA-N 0 1 307.482 1.955 10 0 DDAEMN O[C@H](CN1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1F ZINC000247401237 408465909 /nfs/dbraw/zinc/46/59/09/408465909.db2.gz YMMJREUZDLNGSG-IUODEOHRSA-N 0 1 308.332 1.927 10 0 DDAEMN CCO[C@H]1C[C@H](N(C)C(=O)CCc2nc[nH]n2)C12CCCC2 ZINC000177226424 408558022 /nfs/dbraw/zinc/55/80/22/408558022.db2.gz KMCSEQOTVSXAPL-STQMWFEESA-N 0 1 306.410 1.934 10 0 DDAEMN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000248401218 408558114 /nfs/dbraw/zinc/55/81/14/408558114.db2.gz ZAYOQOLTWMLDDW-MJBXVCDLSA-N 0 1 310.781 1.261 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccco2)n[nH]1 ZINC000162017461 408660715 /nfs/dbraw/zinc/66/07/15/408660715.db2.gz IXAPBXRHUJCKNE-GXSJLCMTSA-N 0 1 304.350 1.177 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CN3CCCC3=O)C[C@H]12 ZINC000184810123 408693220 /nfs/dbraw/zinc/69/32/20/408693220.db2.gz FCVIFJKFJTUECQ-HZSPNIEDSA-N 0 1 323.437 1.801 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccnn3C)C2=O)n(C)n1 ZINC000193094448 408694543 /nfs/dbraw/zinc/69/45/43/408694543.db2.gz LYJKFRBEOKIIBE-CHWSQXEVSA-N 0 1 316.409 1.308 10 0 DDAEMN C[C@H]1OCCC[C@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000188795967 163070655 /nfs/dbraw/zinc/07/06/55/163070655.db2.gz ZOZOQKASNCKAKI-GDBMZVCRSA-N 0 1 310.438 1.372 10 0 DDAEMN COCCN1CCN(Cc2nccc(OC)c2OC)C[C@H]1C ZINC000190523652 163144906 /nfs/dbraw/zinc/14/49/06/163144906.db2.gz SZHPQDFYKYTFBX-CYBMUJFWSA-N 0 1 309.410 1.251 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCCN(C(=O)OCC)CC1 ZINC000195173648 163310409 /nfs/dbraw/zinc/31/04/09/163310409.db2.gz HAFHETFLQUGSIX-AWEZNQCLSA-N 0 1 302.415 1.328 10 0 DDAEMN Cc1csc(=O)n1CCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517902 163326043 /nfs/dbraw/zinc/32/60/43/163326043.db2.gz CMAZTYDCDWURLH-ZDUSSCGKSA-N 0 1 322.434 1.864 10 0 DDAEMN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@H](N)COC)n2)cc1 ZINC000262168079 163780111 /nfs/dbraw/zinc/78/01/11/163780111.db2.gz AMBIPIKLLVUWRP-GXFFZTMASA-N 0 1 318.377 1.450 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc(C(F)(F)F)ns2)C1 ZINC000263569548 163987238 /nfs/dbraw/zinc/98/72/38/163987238.db2.gz ZNALEDUTGKIWGW-UHFFFAOYSA-N 0 1 324.328 1.906 10 0 DDAEMN CN(C)C(=O)c1ccc(NC[C@H](c2cnn(C)c2)N(C)C)nc1 ZINC000301251729 410683415 /nfs/dbraw/zinc/68/34/15/410683415.db2.gz ACBCHNNQSUSHNR-CQSZACIVSA-N 0 1 316.409 1.232 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)N(C)C1 ZINC000344187705 411017059 /nfs/dbraw/zinc/01/70/59/411017059.db2.gz NCXNYDDUPFZNSH-HOCLYGCPSA-N 0 1 314.389 1.208 10 0 DDAEMN COc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C)cc(OC)c1OC ZINC000299517176 229174263 /nfs/dbraw/zinc/17/42/63/229174263.db2.gz PIEKPNLAXKIOCE-DGCLKSJQSA-N 0 1 322.405 1.984 10 0 DDAEMN COCCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630652890 422243762 /nfs/dbraw/zinc/24/37/62/422243762.db2.gz ZNXYBDITESLHEI-GJZGRUSLSA-N 0 1 320.389 1.257 10 0 DDAEMN COCCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630652890 422243766 /nfs/dbraw/zinc/24/37/66/422243766.db2.gz ZNXYBDITESLHEI-GJZGRUSLSA-N 0 1 320.389 1.257 10 0 DDAEMN O[C@@H](COCc1ccccc1)CN1CCO[C@H](C(F)F)CC1 ZINC000634750781 422617856 /nfs/dbraw/zinc/61/78/56/422617856.db2.gz DVPXMAPHWRLQNK-CABCVRRESA-N 0 1 315.360 1.920 10 0 DDAEMN CCCCNC(=O)C1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000179331005 263357843 /nfs/dbraw/zinc/35/78/43/263357843.db2.gz XDZMNXPYJSUJNB-UHFFFAOYSA-N 0 1 322.453 1.865 10 0 DDAEMN COC(=O)N1CCC([C@H](C)NCc2nnnn2C(C)C)CC1 ZINC000186404816 263399017 /nfs/dbraw/zinc/39/90/17/263399017.db2.gz JDLBRACTJJZXPX-NSHDSACASA-N 0 1 310.402 1.211 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000105933560 281051662 /nfs/dbraw/zinc/05/16/62/281051662.db2.gz AGXSBSCBJDZERZ-OFQRWUPVSA-N 0 1 317.433 1.273 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(CN)o2)C[C@H]1CC ZINC000168081943 484088376 /nfs/dbraw/zinc/08/83/76/484088376.db2.gz CRSZIUAUCOLUFL-CYBMUJFWSA-N 0 1 309.410 1.311 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000131713189 696808241 /nfs/dbraw/zinc/80/82/41/696808241.db2.gz DIVVNBRSZYOIFY-GHMZBOCLSA-N 0 1 324.178 1.818 10 0 DDAEMN O[C@@H](CN1CC[C@@H](N2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000247191049 698363074 /nfs/dbraw/zinc/36/30/74/698363074.db2.gz SUBHYORQEIGUDR-CJNGLKHVSA-N 0 1 312.360 1.405 10 0 DDAEMN CSc1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262821874 698480933 /nfs/dbraw/zinc/48/09/33/698480933.db2.gz GWHYUAVTIZJBDR-AWEZNQCLSA-N 0 1 324.446 1.626 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000263096158 698491299 /nfs/dbraw/zinc/49/12/99/698491299.db2.gz VZIFSFBRBFRBCO-ABXWRUBCSA-N 0 1 311.426 1.802 10 0 DDAEMN CC[C@H]1CCC[C@H]1NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263300376 698499518 /nfs/dbraw/zinc/49/95/18/698499518.db2.gz WTCVMNWVAMJHES-GFJIZPEISA-N 0 1 311.426 1.802 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@](C)(CC)OC)C1 ZINC000263401297 698505295 /nfs/dbraw/zinc/50/52/95/698505295.db2.gz SESYVRXALYJROK-QOZQQMKHSA-N 0 1 315.414 1.038 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCCCCC2)C1 ZINC000263437575 698507192 /nfs/dbraw/zinc/50/71/92/698507192.db2.gz CUJZOLHINRFNTH-UHFFFAOYSA-N 0 1 311.426 1.900 10 0 DDAEMN C[C@H](Cc1ccccc1)CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263523686 698511465 /nfs/dbraw/zinc/51/14/65/698511465.db2.gz SGXCZWGZLSHPMK-WBVHZDCISA-N 0 1 320.433 1.582 10 0 DDAEMN Cn1cccc1C(=O)N1CCCC[C@H]1c1[nH]ncc1C(N)=O ZINC000826848979 705884424 /nfs/dbraw/zinc/88/44/24/705884424.db2.gz FZIFRQQJMNLMLS-NSHDSACASA-N 0 1 301.350 1.215 10 0 DDAEMN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2n[nH]c(CO)n2)cc1 ZINC000912941609 713129756 /nfs/dbraw/zinc/12/97/56/713129756.db2.gz PGQUOBRLRAVGFX-KBPBESRZSA-N 0 1 314.389 1.840 10 0 DDAEMN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2nnc(CO)[nH]2)cc1 ZINC000912941609 713129757 /nfs/dbraw/zinc/12/97/57/713129757.db2.gz PGQUOBRLRAVGFX-KBPBESRZSA-N 0 1 314.389 1.840 10 0 DDAEMN C[C@H](O)[C@H](O)CN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000930277426 713791648 /nfs/dbraw/zinc/79/16/48/713791648.db2.gz XNPDDESEYWWLOD-GIFSMMMISA-N 0 1 319.323 1.555 10 0 DDAEMN C[C@@H](C(=O)c1ccc(F)cc1)[S@](=O)CCS(C)(=O)=O ZINC000081910272 192339313 /nfs/dbraw/zinc/33/93/13/192339313.db2.gz KBQYLQRKIPVMSV-YYSFKGJASA-N 0 1 306.380 1.190 10 0 DDAEMN CCCS(=O)(=O)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000081939700 192343197 /nfs/dbraw/zinc/34/31/97/192343197.db2.gz LOPCRRAQZXRWDL-LBPRGKRZSA-N 0 1 301.408 1.789 10 0 DDAEMN CCCOc1ccc([C@@H](N)CS(=O)(=O)CCOC)cc1 ZINC000081944227 192344864 /nfs/dbraw/zinc/34/48/64/192344864.db2.gz INQJNRHVCKPGQA-AWEZNQCLSA-N 0 1 301.408 1.536 10 0 DDAEMN NNc1ncc(Br)cc1C(=O)N[C@H]1CCCOC1 ZINC000082431651 185181824 /nfs/dbraw/zinc/18/18/24/185181824.db2.gz UDSHOQVCOZSTOJ-QMMMGPOBSA-N 0 1 315.171 1.039 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000081974480 192347475 /nfs/dbraw/zinc/34/74/75/192347475.db2.gz NYOHOWKYZMPPAX-HUUCEWRRSA-N 0 1 313.419 1.689 10 0 DDAEMN Nc1cc(S(=O)(=O)NCCc2cnc[nH]2)c(Cl)cc1F ZINC000087537936 185227889 /nfs/dbraw/zinc/22/78/89/185227889.db2.gz PEVGMJROGXWZHR-UHFFFAOYSA-N 0 1 318.761 1.305 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)NCCc1cnc[nH]1 ZINC000087544668 185228017 /nfs/dbraw/zinc/22/80/17/185228017.db2.gz JVEDRZZWLHQQLF-UHFFFAOYSA-N 0 1 306.800 1.349 10 0 DDAEMN O=c1cc(CN2CC[C@@H](Oc3cccnc3)C2)nc2ccccn12 ZINC000152515977 539201377 /nfs/dbraw/zinc/20/13/77/539201377.db2.gz FZHNJMQJWHHGBG-MRXNPFEDSA-N 0 1 322.368 1.743 10 0 DDAEMN CCCN(CC)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087894602 185235170 /nfs/dbraw/zinc/23/51/70/185235170.db2.gz LCXDCPWFKZOGEQ-UHFFFAOYSA-N 0 1 302.400 1.053 10 0 DDAEMN CC1(C)CNCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000088139333 185240552 /nfs/dbraw/zinc/24/05/52/185240552.db2.gz KRDGKUUMGUPIPV-UHFFFAOYSA-N 0 1 306.790 1.852 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)Cc1ccccc1OC)C(C)C ZINC000183677517 539243130 /nfs/dbraw/zinc/24/31/30/539243130.db2.gz ZSNXOTHGSNKQQD-MRXNPFEDSA-N 0 1 321.421 1.014 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)C2)o1 ZINC000088544265 185256905 /nfs/dbraw/zinc/25/69/05/185256905.db2.gz QSHSYTAHXHXRLT-JTQLQIEISA-N 0 1 302.396 1.187 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)o1 ZINC000088543814 185256600 /nfs/dbraw/zinc/25/66/00/185256600.db2.gz QIYZAEHTKDFRRI-QWRGUYRKSA-N 0 1 302.396 1.187 10 0 DDAEMN COc1cc(Cl)ccc1S(=O)(=O)NCc1cnc[nH]1 ZINC000088759502 185264316 /nfs/dbraw/zinc/26/43/16/185264316.db2.gz BVXXRUYHTXWSEE-UHFFFAOYSA-N 0 1 301.755 1.550 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](NC)c1ccc(C)c(C)c1 ZINC000081978009 192349596 /nfs/dbraw/zinc/34/95/96/192349596.db2.gz DGNNXSBGVRULSF-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN N[C@H]1c2ccccc2CCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989964 192350573 /nfs/dbraw/zinc/35/05/73/192350573.db2.gz PILDAWMKPWWPKL-CVEARBPZSA-N 0 1 309.431 1.985 10 0 DDAEMN CN1CCN(c2ccccc2/C=C2\SCCNC2=O)CC1 ZINC000090505077 185299531 /nfs/dbraw/zinc/29/95/31/185299531.db2.gz HWEYWXTUEQAQPH-QINSGFPZSA-N 0 1 303.431 1.642 10 0 DDAEMN Cc1noc(C)c1CNS(=O)(=O)c1csc(CN)c1 ZINC000092344235 185313161 /nfs/dbraw/zinc/31/31/61/185313161.db2.gz JDFJPKQNOPQSIA-UHFFFAOYSA-N 0 1 301.393 1.290 10 0 DDAEMN COCCNCC(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092495682 185322475 /nfs/dbraw/zinc/32/24/75/185322475.db2.gz MCYHGFXSCVEFOA-UHFFFAOYSA-N 0 1 308.769 1.700 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000092661528 185332039 /nfs/dbraw/zinc/33/20/39/185332039.db2.gz TWQOPPVVDRHPPU-NEPJUHHUSA-N 0 1 315.439 1.025 10 0 DDAEMN CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092662208 185332657 /nfs/dbraw/zinc/33/26/57/185332657.db2.gz HGIHNJOZZLBHNS-TUAOUCFPSA-N 0 1 315.439 1.371 10 0 DDAEMN Cc1sc(CO)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092678061 185333370 /nfs/dbraw/zinc/33/33/70/185333370.db2.gz WWBRUOZBHVRTIJ-NSHDSACASA-N 0 1 318.464 1.264 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1c(N)cccc1F ZINC000092622674 185329864 /nfs/dbraw/zinc/32/98/64/185329864.db2.gz QILUVWIDCOEIDN-NSHDSACASA-N 0 1 315.414 1.513 10 0 DDAEMN CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000092625630 185329933 /nfs/dbraw/zinc/32/99/33/185329933.db2.gz RLEWZRGGTQHTBT-SECBINFHSA-N 0 1 318.420 1.161 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000092625630 185329934 /nfs/dbraw/zinc/32/99/34/185329934.db2.gz RLEWZRGGTQHTBT-SECBINFHSA-N 0 1 318.420 1.161 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cnc(Cl)nc1 ZINC000092627842 185330219 /nfs/dbraw/zinc/33/02/19/185330219.db2.gz YVGZGCSNGQFMRN-JTQLQIEISA-N 0 1 318.830 1.235 10 0 DDAEMN COc1c(C)cnc(C[C@H](CO)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000097149136 185416431 /nfs/dbraw/zinc/41/64/31/185416431.db2.gz GRAYBJYIVUUTPZ-CHWSQXEVSA-N 0 1 313.419 1.293 10 0 DDAEMN CCOC(=O)CCCNCC(=O)Nc1cc(F)ccc1F ZINC000070270320 190876032 /nfs/dbraw/zinc/87/60/32/190876032.db2.gz HWBMMRJLJJIYFQ-UHFFFAOYSA-N 0 1 300.305 1.836 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Br)c(N)c1 ZINC000080510890 192163184 /nfs/dbraw/zinc/16/31/84/192163184.db2.gz UPPJXHCZPFFKHR-UHFFFAOYSA-N 0 1 310.155 1.422 10 0 DDAEMN Clc1cccc(N2CCN(CCCc3nn[nH]n3)CC2)c1 ZINC000034284634 352292039 /nfs/dbraw/zinc/29/20/39/352292039.db2.gz VJCAHRJKVWKNAM-UHFFFAOYSA-N 0 1 306.801 1.608 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(C)oc3C)CCO2)n[nH]1 ZINC000173558761 198227267 /nfs/dbraw/zinc/22/72/67/198227267.db2.gz ILDGRJUZOSVKGQ-GFCCVEGCSA-N 0 1 304.350 1.791 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cccc(OC)c3)CCO2)n[nH]1 ZINC000173760887 198249055 /nfs/dbraw/zinc/24/90/55/198249055.db2.gz FRXBBUIEFMXCBI-AWEZNQCLSA-N 0 1 302.378 1.949 10 0 DDAEMN CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n[nH]1 ZINC000173887352 198265216 /nfs/dbraw/zinc/26/52/16/198265216.db2.gz PNPVQJUTNYKXMV-SWLSCSKDSA-N 0 1 306.410 1.326 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000174333561 198321548 /nfs/dbraw/zinc/32/15/48/198321548.db2.gz IEYQQCKSRPKBTM-CYBMUJFWSA-N 0 1 322.409 1.858 10 0 DDAEMN CCOc1ccccc1CN1CC[C@@H](NC(C)=O)[C@@H](CO)C1 ZINC000075876341 353383681 /nfs/dbraw/zinc/38/36/81/353383681.db2.gz WLPHHXZOUSVYTM-HZPDHXFCSA-N 0 1 306.406 1.404 10 0 DDAEMN COCCNC(=O)CNCc1ccc(OC(F)(F)F)cc1 ZINC000073136575 191283226 /nfs/dbraw/zinc/28/32/26/191283226.db2.gz ZVUTXURAFQQIND-UHFFFAOYSA-N 0 1 306.284 1.437 10 0 DDAEMN NC(=O)c1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CC1 ZINC000088369369 353754655 /nfs/dbraw/zinc/75/46/55/353754655.db2.gz IRTSSLDSBHCJSQ-UHFFFAOYSA-N 0 1 309.333 1.770 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccs2)[C@@H]1[NH3+] ZINC000257354174 354389656 /nfs/dbraw/zinc/38/96/56/354389656.db2.gz WDLZIQYFGMTKLA-IEBDPFPHSA-N 0 1 312.391 1.432 10 0 DDAEMN CC(C)C[C@H](N[C@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179808029 199083773 /nfs/dbraw/zinc/08/37/73/199083773.db2.gz VNOKRKKWIMDBEN-VWYCJHECSA-N 0 1 306.370 1.709 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2)CCN1C[C@@H](C)O ZINC000181133120 199255477 /nfs/dbraw/zinc/25/54/77/199255477.db2.gz ZSVJJSWUECWTRV-HIFRSBDPSA-N 0 1 306.406 1.618 10 0 DDAEMN Cc1cc(C)n(C[C@H]2CN(C(=O)c3coc(CN)c3)CCO2)n1 ZINC000188190818 200206401 /nfs/dbraw/zinc/20/64/01/200206401.db2.gz ABCIWKUUQVBRLU-OAHLLOKOSA-N 0 1 318.377 1.093 10 0 DDAEMN Cc1nc(C[C@H]2CCCN(C(=O)[C@H](N)c3ccccc3)C2)no1 ZINC000237774165 202353068 /nfs/dbraw/zinc/35/30/68/202353068.db2.gz MMWIGPMERFCHPS-CZUORRHYSA-N 0 1 314.389 1.859 10 0 DDAEMN CCc1ccccc1CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000188569526 200267871 /nfs/dbraw/zinc/26/78/71/200267871.db2.gz VFIRQJZAXXLTFR-HUUCEWRRSA-N 0 1 304.434 1.705 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000193356783 201036848 /nfs/dbraw/zinc/03/68/48/201036848.db2.gz XRGXQTMLGRILFW-OAHLLOKOSA-N 0 1 308.422 1.692 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(Cc2ccccn2)CC1 ZINC000193367885 201039538 /nfs/dbraw/zinc/03/95/38/201039538.db2.gz BHYUNRLLEAXPAR-QGZVFWFLSA-N 0 1 307.438 1.377 10 0 DDAEMN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(CO)o1 ZINC000275360232 212290384 /nfs/dbraw/zinc/29/03/84/212290384.db2.gz AXGKCVSFEMRAJU-GJZGRUSLSA-N 0 1 305.378 1.998 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000091478537 193062365 /nfs/dbraw/zinc/06/23/65/193062365.db2.gz BSZDNCNYAGXJPQ-LLVKDONJSA-N 0 1 317.524 1.631 10 0 DDAEMN Cn1cc(O[C@@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]2O)cn1 ZINC000625626265 367057976 /nfs/dbraw/zinc/05/79/76/367057976.db2.gz GIVCFLRJEZSIPD-QZTJIDSGSA-N 0 1 313.401 1.922 10 0 DDAEMN Cc1nsc(N)c1-c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000093016452 193194922 /nfs/dbraw/zinc/19/49/22/193194922.db2.gz TZVQKSQLPCTJBR-RKDXNWHRSA-N 0 1 307.379 1.619 10 0 DDAEMN COCc1nc(-c2cnn(C)c2C)[nH]c(=O)c1Br ZINC000093651487 193285239 /nfs/dbraw/zinc/28/52/39/193285239.db2.gz LGFBIBLWRXHCCJ-UHFFFAOYSA-N 0 1 313.155 1.800 10 0 DDAEMN CC(C)(C)[N@@H+](CCC(=O)[O-])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638195 193387349 /nfs/dbraw/zinc/38/73/49/193387349.db2.gz MIWGPKCTNZNJEO-NEPJUHHUSA-N 0 1 305.440 1.917 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@@H]([N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000094638194 193387484 /nfs/dbraw/zinc/38/74/84/193387484.db2.gz ZBOKDOLEXXUSCQ-OLZOCXBDSA-N 0 1 303.424 1.671 10 0 DDAEMN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779358 193396354 /nfs/dbraw/zinc/39/63/54/193396354.db2.gz BNMRZVLXQLFVGJ-UHFFFAOYSA-N 0 1 312.370 1.867 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCCN(CC)C1 ZINC000040501868 183083864 /nfs/dbraw/zinc/08/38/64/183083864.db2.gz TXCFBJUUZVSAAL-CQSZACIVSA-N 0 1 311.451 1.594 10 0 DDAEMN Cc1nc(C)c([C@H](C)NCc2cn(C)c(=O)n(C)c2=O)s1 ZINC000040517987 183090030 /nfs/dbraw/zinc/09/00/30/183090030.db2.gz OAMQJMFLYIZSOS-QMMMGPOBSA-N 0 1 308.407 1.008 10 0 DDAEMN Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CC(C)C)CN(C)C ZINC000040830717 183139399 /nfs/dbraw/zinc/13/93/99/183139399.db2.gz MDIQMSNUHNDBGX-GFCCVEGCSA-N 0 1 302.444 1.281 10 0 DDAEMN CCc1cccc(C)c1NS(=O)(=O)c1cnc(NN)nc1 ZINC000041071026 183162450 /nfs/dbraw/zinc/16/24/50/183162450.db2.gz SNOAYJRCSGBBHQ-UHFFFAOYSA-N 0 1 307.379 1.434 10 0 DDAEMN C[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000041564608 183202714 /nfs/dbraw/zinc/20/27/14/183202714.db2.gz BNYGJJBFPWNURD-GFCCVEGCSA-N 0 1 313.195 1.822 10 0 DDAEMN CCN(CC(F)(F)F)C(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC000042791948 183309092 /nfs/dbraw/zinc/30/90/92/183309092.db2.gz ITPIRQDNVGKRJY-UHFFFAOYSA-N 0 1 311.304 1.083 10 0 DDAEMN O=C(Nc1ccc(F)cc1Br)[C@H]1CNCCO1 ZINC000043712965 183382487 /nfs/dbraw/zinc/38/24/87/183382487.db2.gz NUCSCCJLODJRSC-SNVBAGLBSA-N 0 1 303.131 1.515 10 0 DDAEMN CCNC(=O)CCN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000105818783 194135615 /nfs/dbraw/zinc/13/56/15/194135615.db2.gz FOIGJLLGJXIMFP-UHFFFAOYSA-N 0 1 316.405 1.784 10 0 DDAEMN CC[C@H]1CN(Cc2nc(-c3ccoc3)no2)CCN1CCOC ZINC000105837428 194143899 /nfs/dbraw/zinc/14/38/99/194143899.db2.gz ZUOMOKVEKXLPEI-AWEZNQCLSA-N 0 1 320.393 1.872 10 0 DDAEMN CCOCCN1CCN([C@H](C(N)=O)c2ccccc2)C[C@H]1CC ZINC000105838064 194144812 /nfs/dbraw/zinc/14/48/12/194144812.db2.gz ZEPVFJOCBYSCHS-SJORKVTESA-N 0 1 319.449 1.646 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869510 194151784 /nfs/dbraw/zinc/15/17/84/194151784.db2.gz VMIIOLSEPYMWIT-CQSZACIVSA-N 0 1 321.469 1.231 10 0 DDAEMN CSc1cccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000105932829 194173465 /nfs/dbraw/zinc/17/34/65/194173465.db2.gz AMZDYPKNWWEVQW-TZMCWYRMSA-N 0 1 323.462 1.656 10 0 DDAEMN CCOCCN1CCN(Cc2cc(C(=O)OC)co2)C[C@H]1CC ZINC000106116739 194187768 /nfs/dbraw/zinc/18/77/68/194187768.db2.gz UKFAOSNIGZTPHW-OAHLLOKOSA-N 0 1 324.421 1.999 10 0 DDAEMN CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(F)c(N)c1 ZINC000049554499 183740984 /nfs/dbraw/zinc/74/09/84/183740984.db2.gz ROEWAKIFWZVOFJ-NSHDSACASA-N 0 1 317.430 1.663 10 0 DDAEMN NC(=S)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000109442322 194263798 /nfs/dbraw/zinc/26/37/98/194263798.db2.gz AFCGBCWMYIJHNG-UHFFFAOYSA-N 0 1 301.818 1.883 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000109461267 194266194 /nfs/dbraw/zinc/26/61/94/194266194.db2.gz BSPNOVNSXPIQRF-AWEZNQCLSA-N 0 1 305.447 1.438 10 0 DDAEMN CCN1CCN(CC(=O)Nc2ccc(N)cc2Cl)C[C@@H]1C ZINC000110702223 194352538 /nfs/dbraw/zinc/35/25/38/194352538.db2.gz HKVLVEOFWPCACT-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN CCc1cc(C(=O)N2CCC[C@H](c3nncn3CC)C2)n[nH]1 ZINC000110757510 194357123 /nfs/dbraw/zinc/35/71/23/194357123.db2.gz WTFBRDBBNKCIAU-NSHDSACASA-N 0 1 302.382 1.603 10 0 DDAEMN CCN(CCC(=O)OC)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000112875363 284869297 /nfs/dbraw/zinc/86/92/97/284869297.db2.gz HQPSMQLCQUCTKG-HNNXBMFYSA-N 0 1 306.406 1.571 10 0 DDAEMN Nc1ncc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cn1 ZINC000061123031 184162535 /nfs/dbraw/zinc/16/25/35/184162535.db2.gz FGEXMVJPKASRNL-UHFFFAOYSA-N 0 1 304.253 1.277 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C(=O)NCCc2ccsc2)CC1 ZINC000061146066 184163293 /nfs/dbraw/zinc/16/32/93/184163293.db2.gz UAEXGNJXGMCHEG-UHFFFAOYSA-N 0 1 311.407 1.093 10 0 DDAEMN Cc1cc(N)c(S(=O)(=O)N2CCC[C@H]2CN(C)C)cc1C ZINC000061642477 184180592 /nfs/dbraw/zinc/18/05/92/184180592.db2.gz GHZZJGWYUUJZBB-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN CN(CCNS(=O)(=O)c1c(N)cccc1Cl)C1CC1 ZINC000061992634 184200274 /nfs/dbraw/zinc/20/02/74/184200274.db2.gz ADWDGXRMFXDTOP-UHFFFAOYSA-N 0 1 303.815 1.295 10 0 DDAEMN Nc1ccc2nc(CCS(=O)(=O)C3CCOCC3)[nH]c2c1 ZINC000062054886 184203404 /nfs/dbraw/zinc/20/34/04/184203404.db2.gz KMJDVEQLYXIUQM-UHFFFAOYSA-N 0 1 309.391 1.281 10 0 DDAEMN Nc1csc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000062975764 184264312 /nfs/dbraw/zinc/26/43/12/184264312.db2.gz MYENENMCLJOSPS-LLVKDONJSA-N 0 1 301.437 1.189 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155411271 197052424 /nfs/dbraw/zinc/05/24/24/197052424.db2.gz XAPYXHLSUCLTKE-ZDUSSCGKSA-N 0 1 323.360 1.637 10 0 DDAEMN C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CSCN1 ZINC000237685690 257238764 /nfs/dbraw/zinc/23/87/64/257238764.db2.gz VPTKJXJYMDIPGI-AEGPPILISA-N 0 1 320.462 1.071 10 0 DDAEMN C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000121996137 195388402 /nfs/dbraw/zinc/38/84/02/195388402.db2.gz ILIOTGKBTFLAPZ-PBHICJAKSA-N 0 1 317.433 1.911 10 0 DDAEMN CCn1cc(C(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)cn1 ZINC000125386428 407387399 /nfs/dbraw/zinc/38/73/99/407387399.db2.gz DKGMIRDJDLOLSC-OAHLLOKOSA-N 0 1 314.389 1.505 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000152178714 407575648 /nfs/dbraw/zinc/57/56/48/407575648.db2.gz SVLHENJWRDITHF-AMFYOEQGSA-N 0 1 317.433 1.707 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(C)c2)CCN1C[C@@H](C)O ZINC000152178714 407575655 /nfs/dbraw/zinc/57/56/55/407575655.db2.gz SVLHENJWRDITHF-AMFYOEQGSA-N 0 1 317.433 1.707 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000261547333 407542020 /nfs/dbraw/zinc/54/20/20/407542020.db2.gz MCZNFFGUWIUYRC-KRWDZBQOSA-N 0 1 314.385 1.856 10 0 DDAEMN OC[C@@H]1C[C@H](O)CN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000186513246 407688464 /nfs/dbraw/zinc/68/84/64/407688464.db2.gz ZAYOQOLTWMLDDW-MELADBBJSA-N 0 1 310.781 1.261 10 0 DDAEMN CC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000171663521 407733015 /nfs/dbraw/zinc/73/30/15/407733015.db2.gz JYUVOPUSGGOCEL-KRWDZBQOSA-N 0 1 317.433 1.240 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000262237835 407773133 /nfs/dbraw/zinc/77/31/33/407773133.db2.gz HMGNUTWYRZRXOO-LLVKDONJSA-N 0 1 306.284 1.517 10 0 DDAEMN COc1cccc(CN2CCC(N(C)c3cccnn3)CC2)n1 ZINC000171828613 407776990 /nfs/dbraw/zinc/77/69/90/407776990.db2.gz BVZDZFUTCWUUCI-UHFFFAOYSA-N 0 1 313.405 1.981 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2ccccc2OC)CCCC1 ZINC000262361721 407811980 /nfs/dbraw/zinc/81/19/80/407811980.db2.gz VPNOFWKTRBTFBV-AWEZNQCLSA-N 0 1 306.406 1.597 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H](C)COC)CCN1CCOC ZINC000172489218 407832598 /nfs/dbraw/zinc/83/25/98/407832598.db2.gz HHNNOJXNDOAMAJ-ZIAGYGMSSA-N 0 1 301.431 1.021 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1CCOC ZINC000117426053 407833062 /nfs/dbraw/zinc/83/30/62/407833062.db2.gz JTDCPQJFELOIGV-INIZCTEOSA-N 0 1 319.449 1.935 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262516383 407854254 /nfs/dbraw/zinc/85/42/54/407854254.db2.gz LKSFGJZKMUJGGW-KBPBESRZSA-N 0 1 313.442 1.162 10 0 DDAEMN COCCN1CCN([C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000117880015 407867006 /nfs/dbraw/zinc/86/70/06/407867006.db2.gz VMMISWYYOVDDNF-HOCLYGCPSA-N 0 1 306.406 1.553 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccccc2)C1 ZINC000262737108 407912184 /nfs/dbraw/zinc/91/21/84/407912184.db2.gz VOPHYJDFIVZMTQ-UHFFFAOYSA-N 0 1 306.362 1.119 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)n[nH]1 ZINC000180345816 407877185 /nfs/dbraw/zinc/87/71/85/407877185.db2.gz YDTUEROWSHTGLU-CQSZACIVSA-N 0 1 316.361 1.270 10 0 DDAEMN CCOCC[N@H+]1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@@H]1CC ZINC000134084451 407885261 /nfs/dbraw/zinc/88/52/61/407885261.db2.gz WXQUWIIANWOQCB-KBPBESRZSA-N 0 1 314.426 1.145 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@@H]1CC ZINC000134084451 407885264 /nfs/dbraw/zinc/88/52/64/407885264.db2.gz WXQUWIIANWOQCB-KBPBESRZSA-N 0 1 314.426 1.145 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173563527 407888284 /nfs/dbraw/zinc/88/82/84/407888284.db2.gz AJKPRBNCPQGQLC-CQSZACIVSA-N 0 1 307.369 1.042 10 0 DDAEMN CCCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262910339 407966765 /nfs/dbraw/zinc/96/67/65/407966765.db2.gz FPTPEORKWSKTHO-HBNTYKKESA-N 0 1 324.343 1.876 10 0 DDAEMN C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]1 ZINC000262745249 407914214 /nfs/dbraw/zinc/91/42/14/407914214.db2.gz ACGICIXKQMKDLG-JGVFFNPUSA-N 0 1 308.325 1.523 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@@H](C)CSC)CCN1CCOC ZINC000153890591 407925425 /nfs/dbraw/zinc/92/54/25/407925425.db2.gz LVJQSIGGBOHMHB-STQMWFEESA-N 0 1 303.472 1.490 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)o1 ZINC000245697372 408044769 /nfs/dbraw/zinc/04/47/69/408044769.db2.gz CLXXUDCSACUCMJ-OLZOCXBDSA-N 0 1 310.394 1.343 10 0 DDAEMN CC[C@@H]1CN(Cc2nc([C@H](C)OC)no2)CCN1CCOC ZINC000245473596 407996244 /nfs/dbraw/zinc/99/62/44/407996244.db2.gz QCACUTNYWDSEEI-QWHCGFSZSA-N 0 1 312.414 1.320 10 0 DDAEMN CC[C@@H](O)CN1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189449095 408020007 /nfs/dbraw/zinc/02/00/07/408020007.db2.gz AVVHNHLSTUANDN-LLVKDONJSA-N 0 1 316.339 1.292 10 0 DDAEMN CCC[C@@H](C(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1)[NH+](C)C ZINC000245778890 408068988 /nfs/dbraw/zinc/06/89/88/408068988.db2.gz LXNKFYRDRXEWQG-HOTGVXAUSA-N 0 1 313.486 1.676 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(OC)CCC2)CCN1C[C@@H](C)O ZINC000182157945 408083106 /nfs/dbraw/zinc/08/31/06/408083106.db2.gz OPZLEJJWHMZUEN-ZIAGYGMSSA-N 0 1 313.442 1.042 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@](C)(CC)C2)C1 ZINC000263447932 408142711 /nfs/dbraw/zinc/14/27/11/408142711.db2.gz GKHOSMMWERNLTH-SEEARECTSA-N 0 1 311.426 1.756 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000246158631 408156620 /nfs/dbraw/zinc/15/66/20/408156620.db2.gz IPKIGMBRBVEKTM-RYUDHWBXSA-N 0 1 312.360 1.421 10 0 DDAEMN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)Cc2cccc(OC)n2)C1 ZINC000263509612 408158633 /nfs/dbraw/zinc/15/86/33/408158633.db2.gz MZTJPCNZVIZWLF-GRTSSRMGSA-N 0 1 321.421 1.548 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)Cc2cccc(OC)n2)C1 ZINC000263509612 408158636 /nfs/dbraw/zinc/15/86/36/408158636.db2.gz MZTJPCNZVIZWLF-GRTSSRMGSA-N 0 1 321.421 1.548 10 0 DDAEMN CN(Cc1cccnc1)C[C@H]1CCN(c2nccn(C)c2=O)C1 ZINC000190448565 408249600 /nfs/dbraw/zinc/24/96/00/408249600.db2.gz YWVQKLOXYAJMRF-OAHLLOKOSA-N 0 1 313.405 1.134 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246307171 408212132 /nfs/dbraw/zinc/21/21/32/408212132.db2.gz ACNZPWJRACRUKJ-ZIAGYGMSSA-N 0 1 307.442 1.683 10 0 DDAEMN CCO[C@H](C)c1noc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000246714520 408323151 /nfs/dbraw/zinc/32/31/51/408323151.db2.gz HNUOQWKEVUAKIK-RWMBFGLXSA-N 0 1 312.414 1.054 10 0 DDAEMN CCN(CC(=O)N[C@H](CC(=O)OC)c1ccccc1)C1CC1 ZINC000151268160 408286904 /nfs/dbraw/zinc/28/69/04/408286904.db2.gz YRMNMJMFIVZLEY-OAHLLOKOSA-N 0 1 304.390 1.891 10 0 DDAEMN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000176206749 408308664 /nfs/dbraw/zinc/30/86/64/408308664.db2.gz YHVGLAZCICBHPU-ZJUUUORDSA-N 0 1 311.386 1.675 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000246818511 408347530 /nfs/dbraw/zinc/34/75/30/408347530.db2.gz AFIXJUBMHQFWAN-UONOGXRCSA-N 0 1 323.441 1.602 10 0 DDAEMN O=C(CCC1CCCC1)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000170682292 162188519 /nfs/dbraw/zinc/18/85/19/162188519.db2.gz WFRSJLHLRDBYRD-MRXNPFEDSA-N 0 1 321.465 1.770 10 0 DDAEMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246855281 408356236 /nfs/dbraw/zinc/35/62/36/408356236.db2.gz FGDXNVJNKOZSJE-VQHPVUNQSA-N 0 1 323.481 1.476 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000173461143 162340349 /nfs/dbraw/zinc/34/03/49/162340349.db2.gz QAUHCWPCKLUDHK-CVEARBPZSA-N 0 1 313.486 1.268 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173532521 162345459 /nfs/dbraw/zinc/34/54/59/162345459.db2.gz WUTLASWYBGZFSP-HNNXBMFYSA-N 0 1 314.389 1.954 10 0 DDAEMN COc1cccc(COC[C@H](O)CN2[C@H](C)COC[C@H]2C)c1 ZINC000247332445 408452542 /nfs/dbraw/zinc/45/25/42/408452542.db2.gz XYGPUMPXPWSRFK-IIAWOOMASA-N 0 1 309.406 1.682 10 0 DDAEMN CC[C@H]1CN(CC(=O)NCc2ccccc2)CCN1C[C@H](C)O ZINC000247375815 408460092 /nfs/dbraw/zinc/46/00/92/408460092.db2.gz VFIUYXGFKRCIIA-RDJZCZTQSA-N 0 1 319.449 1.080 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](C)C3CCCC3)CCO2)n[nH]1 ZINC000175537149 162477162 /nfs/dbraw/zinc/47/71/62/162477162.db2.gz BJUSVCGZDLFUCJ-GWCFXTLKSA-N 0 1 307.398 1.775 10 0 DDAEMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247260195 408438791 /nfs/dbraw/zinc/43/87/91/408438791.db2.gz ZVGKNCVTYOFCDY-OWCLPIDISA-N 0 1 309.454 1.182 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000162076591 408666903 /nfs/dbraw/zinc/66/69/03/408666903.db2.gz OZAUDJLYQDVGOJ-QGZVFWFLSA-N 0 1 323.412 1.543 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000252321797 408794184 /nfs/dbraw/zinc/79/41/84/408794184.db2.gz ZASMSWAVXAFDQL-XJKSGUPXSA-N 0 1 321.469 1.912 10 0 DDAEMN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)NC1CCCC1 ZINC000249596768 408747191 /nfs/dbraw/zinc/74/71/91/408747191.db2.gz XBCQCPXVMZAPTF-ZFWWWQNUSA-N 0 1 308.447 1.815 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ncccc3C)CCO2)n[nH]1 ZINC000178012707 408756976 /nfs/dbraw/zinc/75/69/76/408756976.db2.gz LMKBTVWKYNFTCO-NSHDSACASA-N 0 1 316.365 1.676 10 0 DDAEMN CCc1noc(C)c1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190086203 163129540 /nfs/dbraw/zinc/12/95/40/163129540.db2.gz UDRFJAVMPGYAQS-CMPLNLGQSA-N 0 1 320.393 1.179 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(N(C)CC)nc2)CC1 ZINC000191346621 163182046 /nfs/dbraw/zinc/18/20/46/163182046.db2.gz GQXGGUNZOUOBTC-MRXNPFEDSA-N 0 1 306.454 1.426 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000262363067 163814971 /nfs/dbraw/zinc/81/49/71/163814971.db2.gz VVFLTLBYTJPJPW-LBPRGKRZSA-N 0 1 320.311 1.355 10 0 DDAEMN Cc1noc(C)c1C[N@@H+]1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000285464729 409453680 /nfs/dbraw/zinc/45/36/80/409453680.db2.gz KNMBJTRDOCGEJL-OAHLLOKOSA-N 0 1 305.382 1.557 10 0 DDAEMN Cc1noc(C)c1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000285464729 409453685 /nfs/dbraw/zinc/45/36/85/409453685.db2.gz KNMBJTRDOCGEJL-OAHLLOKOSA-N 0 1 305.382 1.557 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccc(Cl)s1 ZINC000311907625 409794857 /nfs/dbraw/zinc/79/48/57/409794857.db2.gz GVQMMCYDFUJRLL-DTWKUNHWSA-N 0 1 324.855 1.370 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000132278628 196241271 /nfs/dbraw/zinc/24/12/71/196241271.db2.gz ACDDMKDLZAPALG-RNFRBKRXSA-N 0 1 316.180 1.956 10 0 DDAEMN C[C@@H](N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1cccs1 ZINC000193222723 418530654 /nfs/dbraw/zinc/53/06/54/418530654.db2.gz QRMDGVNORXXTRS-MNOVXSKESA-N 0 1 309.435 1.524 10 0 DDAEMN O=C(c1occc1Br)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000573848895 422024495 /nfs/dbraw/zinc/02/44/95/422024495.db2.gz KNIIVYYNHPNDDN-ZJUUUORDSA-N 0 1 315.167 1.245 10 0 DDAEMN O=C(c1ccc(-c2ccccc2)[nH]1)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000583619102 422205155 /nfs/dbraw/zinc/20/51/55/422205155.db2.gz DHQAAOGZKYRVMO-QGZVFWFLSA-N 0 1 323.356 1.534 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCC2Cc3ccccc3C2)N(C)C1 ZINC000345917981 272364863 /nfs/dbraw/zinc/36/48/63/272364863.db2.gz ROHWEBVNETVVPK-IRXDYDNUSA-N 0 1 302.418 1.627 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccc(O)cc2)CCN1C[C@H](C)O ZINC000248909224 281131256 /nfs/dbraw/zinc/13/12/56/281131256.db2.gz ZUCDWJOVFBQJRB-HOCLYGCPSA-N 0 1 320.433 1.628 10 0 DDAEMN CCOCCN1CCN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1CC ZINC000130440108 281381523 /nfs/dbraw/zinc/38/15/23/281381523.db2.gz QWORXDCYJDXSGE-CQSZACIVSA-N 0 1 321.421 1.256 10 0 DDAEMN C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000246381210 281980417 /nfs/dbraw/zinc/98/04/17/281980417.db2.gz IXAWIJQJTGXUNK-PVAVHDDUSA-N 0 1 320.433 1.470 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247047267 282031511 /nfs/dbraw/zinc/03/15/11/282031511.db2.gz ZERVTVHYDQCBPG-CABCVRRESA-N 0 1 314.470 1.621 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247047267 282031513 /nfs/dbraw/zinc/03/15/13/282031513.db2.gz ZERVTVHYDQCBPG-CABCVRRESA-N 0 1 314.470 1.621 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262405860 298127836 /nfs/dbraw/zinc/12/78/36/298127836.db2.gz BPGRCOWZUZRRJD-CHWSQXEVSA-N 0 1 313.442 1.161 10 0 DDAEMN CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCN(C)CC1 ZINC000226277684 490701734 /nfs/dbraw/zinc/70/17/34/490701734.db2.gz SKROAWRKZHJWGD-UHFFFAOYSA-N 0 1 315.377 1.196 10 0 DDAEMN C[C@@H](OC(=O)[C@H]1CNC(=O)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989655 696647116 /nfs/dbraw/zinc/64/71/16/696647116.db2.gz WKQQRRICHYPXBJ-HTQZYQBOSA-N 0 1 307.737 1.957 10 0 DDAEMN CC[C@@H]1CN(CN2CCSC2=S)CCN1CCOC ZINC000117325236 696670401 /nfs/dbraw/zinc/67/04/01/696670401.db2.gz LLMASDYQBVMMJQ-GFCCVEGCSA-N 0 1 303.497 1.320 10 0 DDAEMN COCCN1CCN(Cn2cc(Br)cn2)C[C@H]1C ZINC000117322189 696670576 /nfs/dbraw/zinc/67/05/76/696670576.db2.gz ZUDXIBCDCIUAFA-LLVKDONJSA-N 0 1 317.231 1.256 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cn2cccn2)cc1 ZINC000222540129 697757215 /nfs/dbraw/zinc/75/72/15/697757215.db2.gz SJNKOPZXYYQYOG-KRWDZBQOSA-N 0 1 310.401 1.755 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CN3C[C@@H](C)CC3=O)C2)n1 ZINC000246949882 698357977 /nfs/dbraw/zinc/35/79/77/698357977.db2.gz FMHKIMRJWWKSST-WFASDCNBSA-N 0 1 305.426 1.433 10 0 DDAEMN O[C@H](CN1CC[C@@H](N2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000247191060 698362897 /nfs/dbraw/zinc/36/28/97/698362897.db2.gz SUBHYORQEIGUDR-CZUORRHYSA-N 0 1 312.360 1.405 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000262040840 698451619 /nfs/dbraw/zinc/45/16/19/698451619.db2.gz GFFPTCPSQRLECJ-CYBMUJFWSA-N 0 1 305.378 1.225 10 0 DDAEMN C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000720657658 699307970 /nfs/dbraw/zinc/30/79/70/699307970.db2.gz QGNDFEHCNRSCQR-YPMHNXCESA-N 0 1 301.350 1.469 10 0 DDAEMN CN1CC2(C1)CCN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC000722668054 699319610 /nfs/dbraw/zinc/31/96/10/699319610.db2.gz HXDCFAWPSBRYRB-LBPRGKRZSA-N 0 1 309.410 1.160 10 0 DDAEMN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc2[nH]cnc2cc1F ZINC000886998257 708921650 /nfs/dbraw/zinc/92/16/50/708921650.db2.gz ACGAAYRFGSITBW-ZIAGYGMSSA-N 0 1 319.336 1.362 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCCCOC)CCN1C[C@H](C)O ZINC000248459630 282085744 /nfs/dbraw/zinc/08/57/44/282085744.db2.gz RNXDKESUIWQKKT-GJZGRUSLSA-N 0 1 315.458 1.290 10 0 DDAEMN CCc1cccc(CC)c1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000074731509 185014000 /nfs/dbraw/zinc/01/40/00/185014000.db2.gz XUFHIDZBDVNIBF-UHFFFAOYSA-N 0 1 301.346 1.369 10 0 DDAEMN COc1ccc([C@H](C)N[C@H](C)CS(C)(=O)=O)cc1OC ZINC000081900775 192335165 /nfs/dbraw/zinc/33/51/65/192335165.db2.gz INWWBBDIGZIALZ-MNOVXSKESA-N 0 1 301.408 1.788 10 0 DDAEMN CCCN[C@H](CS(=O)(=O)CCOC)c1ccccc1OC ZINC000081944147 192344231 /nfs/dbraw/zinc/34/42/31/192344231.db2.gz GGYGGDLRPREMPA-CQSZACIVSA-N 0 1 315.435 1.797 10 0 DDAEMN C[C@H](NCCN1CCCS1(=O)=O)c1cc(F)ccc1F ZINC000089519832 539172874 /nfs/dbraw/zinc/17/28/74/539172874.db2.gz LCXNYNSQVSQTLG-JTQLQIEISA-N 0 1 304.362 1.651 10 0 DDAEMN CCOC(=O)NC(=O)C[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087572361 185228845 /nfs/dbraw/zinc/22/88/45/185228845.db2.gz JSBHPGLVWVDEHF-UHFFFAOYSA-N 0 1 300.355 1.369 10 0 DDAEMN COCc1nc(CC2CC2)[nH]c(=O)c1I ZINC000087580566 185229144 /nfs/dbraw/zinc/22/91/44/185229144.db2.gz NPAWQWGZQWFALQ-UHFFFAOYSA-N 0 1 320.130 1.473 10 0 DDAEMN O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000088056811 185238311 /nfs/dbraw/zinc/23/83/11/185238311.db2.gz PJTLPMVMNIJHOF-MRVPVSSYSA-N 0 1 312.288 1.948 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2CC)o1 ZINC000088544355 185256756 /nfs/dbraw/zinc/25/67/56/185256756.db2.gz KRPYJCWVFXAUDA-RYUDHWBXSA-N 0 1 316.423 1.577 10 0 DDAEMN CC[C@H]1CN(c2ncnc3onc(C)c32)CC[N@H+]1C[C@@H](C)O ZINC000193394278 539261263 /nfs/dbraw/zinc/26/12/63/539261263.db2.gz GRRXQWCSPIDJTJ-PWSUYJOCSA-N 0 1 305.382 1.208 10 0 DDAEMN Cc1cc(S(=O)(=O)N(C)C2CCN(C)CC2)sc1CO ZINC000088876142 185267965 /nfs/dbraw/zinc/26/79/65/185267965.db2.gz AJIUCHYEVNUQKK-UHFFFAOYSA-N 0 1 318.464 1.264 10 0 DDAEMN COCCCS(=O)(=O)[C@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000081985718 192349349 /nfs/dbraw/zinc/34/93/49/192349349.db2.gz BJUAPIIYFAVTFW-LSDHHAIUSA-N 0 1 313.419 1.461 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCC[C@@H]1C1CCCC1 ZINC000088894668 185270111 /nfs/dbraw/zinc/27/01/11/185270111.db2.gz ODRQKMJKWUCGKC-CYBMUJFWSA-N 0 1 313.423 1.554 10 0 DDAEMN CCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388812 185293896 /nfs/dbraw/zinc/29/38/96/185293896.db2.gz GUTRKLQGBGHIOR-RWMBFGLXSA-N 0 1 300.399 1.103 10 0 DDAEMN CCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388812 185293897 /nfs/dbraw/zinc/29/38/97/185293897.db2.gz GUTRKLQGBGHIOR-RWMBFGLXSA-N 0 1 300.399 1.103 10 0 DDAEMN O=C(Nc1ccc(Br)cn1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092779741 185340460 /nfs/dbraw/zinc/34/04/60/185340460.db2.gz AHAITJYIYAXFAC-VIFPVBQESA-N 0 1 322.166 1.220 10 0 DDAEMN Cc1nc(C[C@@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)no1 ZINC000092814269 185343466 /nfs/dbraw/zinc/34/34/66/185343466.db2.gz TUSMBGWSOODWHG-NSHDSACASA-N 0 1 320.418 1.993 10 0 DDAEMN CN(Cc1nnc[nH]1)S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000080511179 192163103 /nfs/dbraw/zinc/16/31/03/192163103.db2.gz GNNTWENFRZHJAT-UHFFFAOYSA-N 0 1 319.749 1.000 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(NC(N)=O)c(OC)c1)N(C)C ZINC000155668549 186101192 /nfs/dbraw/zinc/10/11/92/186101192.db2.gz CGJCVGHKDKEHKB-LBPRGKRZSA-N 0 1 308.382 1.855 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174173188 198301565 /nfs/dbraw/zinc/30/15/65/198301565.db2.gz NSOPGBDPWASANL-MNOVXSKESA-N 0 1 323.397 1.457 10 0 DDAEMN COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000220619538 354314200 /nfs/dbraw/zinc/31/42/00/354314200.db2.gz QPSMQJJPKRQFMX-SMDDNHRTSA-N 0 1 305.378 1.377 10 0 DDAEMN CNS(=O)(=O)c1ccc(C)c(Nc2ncnc3[nH]cnc32)c1 ZINC000473113404 354683106 /nfs/dbraw/zinc/68/31/06/354683106.db2.gz HAPJCFVQJHLPFJ-UHFFFAOYSA-N 0 1 318.362 1.313 10 0 DDAEMN O=C(c1nc(-c2ccccc2)n2c1CNCC2)N1CCOCC1 ZINC000089195544 192740280 /nfs/dbraw/zinc/74/02/80/192740280.db2.gz XKOMZRCAXVVUPR-UHFFFAOYSA-N 0 1 312.373 1.126 10 0 DDAEMN C[C@@H]1CC[C@H](CN2CCN(C[C@H](O)c3ccccc3)CC2)O1 ZINC000188546655 200264349 /nfs/dbraw/zinc/26/43/49/200264349.db2.gz HOTCHTVTPKZCAU-NXHRZFHOSA-N 0 1 304.434 1.905 10 0 DDAEMN CCCN[C@@](CSC[C@@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258929 193028604 /nfs/dbraw/zinc/02/86/04/193028604.db2.gz AENUHZFJBMMTIC-XJKSGUPXSA-N 0 1 310.463 1.728 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000091969307 193134065 /nfs/dbraw/zinc/13/40/65/193134065.db2.gz FILJSYXAQGTISN-CYBMUJFWSA-N 0 1 312.483 1.665 10 0 DDAEMN CNCc1c(C)oc(C)c1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113463 193161142 /nfs/dbraw/zinc/16/11/42/193161142.db2.gz NEMBSGFDOFMSDE-AOOOYVTPSA-N 0 1 300.424 1.892 10 0 DDAEMN Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1CNC1CC1 ZINC000092113688 193161201 /nfs/dbraw/zinc/16/12/01/193161201.db2.gz YDSPPXDJTXYTDG-UWVGGRQHSA-N 0 1 312.439 1.247 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000262507195 203313788 /nfs/dbraw/zinc/31/37/88/203313788.db2.gz JGIWWBCFWQARQP-BRWVUGGUSA-N 0 1 318.417 1.480 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093758791 193301258 /nfs/dbraw/zinc/30/12/58/193301258.db2.gz LNVTVQCCUNDQLG-KOLCDFICSA-N 0 1 302.172 1.631 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](CN(C)C)C(C)C ZINC000093648606 193283200 /nfs/dbraw/zinc/28/32/00/193283200.db2.gz XRSNJTMNPFTKIC-CQSZACIVSA-N 0 1 313.467 1.750 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(C)cc(N)c1C ZINC000094358632 193364260 /nfs/dbraw/zinc/36/42/60/193364260.db2.gz PVTKWJUPXXDEGT-UHFFFAOYSA-N 0 1 313.467 1.848 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000094359597 193365115 /nfs/dbraw/zinc/36/51/15/193365115.db2.gz WNZQUXXHFRLISB-GFCCVEGCSA-N 0 1 313.398 1.185 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N[C@@H](CN(C)C)C(C)C ZINC000094779509 193396723 /nfs/dbraw/zinc/39/67/23/193396723.db2.gz MBUMLEGBHARDDC-ZDUSSCGKSA-N 0 1 317.430 1.581 10 0 DDAEMN C[C@H]1NC(=O)CC[C@@H]1NCc1cc(O)ccc1Br ZINC000282462083 217013503 /nfs/dbraw/zinc/01/35/03/217013503.db2.gz UAOGRTSCJNORAS-PELKAZGASA-N 0 1 313.195 1.911 10 0 DDAEMN Nc1cc(N)nc(SCC(=O)Nc2ccc(F)cc2N)n1 ZINC000041023438 183156511 /nfs/dbraw/zinc/15/65/11/183156511.db2.gz BSKHOXJJHONLSH-UHFFFAOYSA-N 0 1 308.342 1.093 10 0 DDAEMN CSCC[C@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682564 183216787 /nfs/dbraw/zinc/21/67/87/183216787.db2.gz RXVOIOFICKYFBU-LBPRGKRZSA-N 0 1 319.471 1.612 10 0 DDAEMN C[NH+]1CCN(C(=O)COc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000042302215 183251828 /nfs/dbraw/zinc/25/18/28/183251828.db2.gz YQTGRHPLUXVAKP-UHFFFAOYSA-N 0 1 312.753 1.191 10 0 DDAEMN C[C@@H](C[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000042707352 183299722 /nfs/dbraw/zinc/29/97/22/183299722.db2.gz XVKPXMVDJVGSEH-JTQLQIEISA-N 0 1 319.810 1.766 10 0 DDAEMN C[C@@H](C[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000042707352 183299724 /nfs/dbraw/zinc/29/97/24/183299724.db2.gz XVKPXMVDJVGSEH-JTQLQIEISA-N 0 1 319.810 1.766 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@@H]2CCCCO2)CC1 ZINC000105865663 194150222 /nfs/dbraw/zinc/15/02/22/194150222.db2.gz DDBLOTNHVOEJHD-INIZCTEOSA-N 0 1 306.454 1.724 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCCCCC2)CCN1CCOC ZINC000105835958 194141631 /nfs/dbraw/zinc/14/16/31/194141631.db2.gz FFWHPPWZXLCVIN-INIZCTEOSA-N 0 1 311.470 1.432 10 0 DDAEMN CC(C)OCCN1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000105894135 194160938 /nfs/dbraw/zinc/16/09/38/194160938.db2.gz XVLTXICUVORQSK-HNNXBMFYSA-N 0 1 302.459 1.205 10 0 DDAEMN O[C@@H](CN1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1F ZINC000105898885 194164656 /nfs/dbraw/zinc/16/46/56/194164656.db2.gz YMMJREUZDLNGSG-WFASDCNBSA-N 0 1 308.332 1.927 10 0 DDAEMN CCOCCN1CCN(CC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000105914814 194168528 /nfs/dbraw/zinc/16/85/28/194168528.db2.gz ILPOHQLRSPKGDH-AWEZNQCLSA-N 0 1 300.443 1.761 10 0 DDAEMN COC(=O)[C@](C)(N)CCCn1nc(C)c(Br)c1C ZINC000050594828 183790131 /nfs/dbraw/zinc/79/01/31/183790131.db2.gz MWINRDBKCXSNPO-GFCCVEGCSA-N 0 1 318.215 1.933 10 0 DDAEMN Cc1cc2ccccc2nc1N1CCN(CC(N)=S)CC1 ZINC000109442986 194263629 /nfs/dbraw/zinc/26/36/29/194263629.db2.gz BUMBDTFANPQKSN-UHFFFAOYSA-N 0 1 300.431 1.951 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000109460527 194266260 /nfs/dbraw/zinc/26/62/60/194266260.db2.gz DUFUGOJEHRHWAT-CQSZACIVSA-N 0 1 305.447 1.818 10 0 DDAEMN Nc1cc(C(=O)NCc2nnc[nH]2)c(Br)cc1F ZINC000061079860 184161277 /nfs/dbraw/zinc/16/12/77/184161277.db2.gz QNXMNCAUCNRISD-UHFFFAOYSA-N 0 1 314.118 1.219 10 0 DDAEMN O=S(=O)(NCCc1ncc2ccccn21)NC1CCCC1 ZINC000062509372 184240551 /nfs/dbraw/zinc/24/05/51/184240551.db2.gz YRWCVGZNKDBKBZ-UHFFFAOYSA-N 0 1 308.407 1.243 10 0 DDAEMN CCNS(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000062370557 184233557 /nfs/dbraw/zinc/23/35/57/184233557.db2.gz UKTYLDYJOYQASC-AWEZNQCLSA-N 0 1 315.414 1.407 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)N[C@@H](C)COC)C1 ZINC000062877920 184257895 /nfs/dbraw/zinc/25/78/95/184257895.db2.gz QWIAYLCUADNQBW-SWLSCSKDSA-N 0 1 300.399 1.104 10 0 DDAEMN Nc1ccc(F)c(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000062975739 184264532 /nfs/dbraw/zinc/26/45/32/184264532.db2.gz SSRBKJJOJFUOBY-LBPRGKRZSA-N 0 1 313.398 1.267 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000069394708 184512095 /nfs/dbraw/zinc/51/20/95/184512095.db2.gz KMCAQSBJDUDVFF-QWHCGFSZSA-N 0 1 313.467 1.155 10 0 DDAEMN COCC[N@H+]1CCN(Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000120810637 195241967 /nfs/dbraw/zinc/24/19/67/195241967.db2.gz FELXEEMJKNJIJM-AWEZNQCLSA-N 0 1 308.422 1.856 10 0 DDAEMN COCCN1CCN(Cc2cc(OC)cc(OC)c2)C[C@@H]1C ZINC000120810637 195241970 /nfs/dbraw/zinc/24/19/70/195241970.db2.gz FELXEEMJKNJIJM-AWEZNQCLSA-N 0 1 308.422 1.856 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(OC)c(O)c2)C[C@@H]1C ZINC000120879331 195255511 /nfs/dbraw/zinc/25/55/11/195255511.db2.gz ZNAARKMAKBVZSM-AWEZNQCLSA-N 0 1 308.422 1.943 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCCOC)C[C@@H]1CC ZINC000172113142 298241929 /nfs/dbraw/zinc/24/19/29/298241929.db2.gz CNOGRCBMQAZBRF-AWEZNQCLSA-N 0 1 301.431 1.165 10 0 DDAEMN Cc1csc([C@@H]2CCCN(CC(=O)N3CCN(C)CC3)C2)n1 ZINC000093169592 407194613 /nfs/dbraw/zinc/19/46/13/407194613.db2.gz MVTZMHHSQQSWIX-CQSZACIVSA-N 0 1 322.478 1.405 10 0 DDAEMN Cn1nccc1C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000124247728 407352943 /nfs/dbraw/zinc/35/29/43/407352943.db2.gz NUQLYUDCCMIDBZ-UHFFFAOYSA-N 0 1 310.361 1.711 10 0 DDAEMN COC[C@H](C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000103360138 407337716 /nfs/dbraw/zinc/33/77/16/407337716.db2.gz FOYXMBNKAQQYFV-INIZCTEOSA-N 0 1 319.449 1.203 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000186158420 407589512 /nfs/dbraw/zinc/58/95/12/407589512.db2.gz KHWKIAVQIHKPQO-QWHCGFSZSA-N 0 1 318.339 1.541 10 0 DDAEMN CCN(CC(=O)N1CCCN(c2ccc(C)nn2)CC1)C1CC1 ZINC000152265674 407597224 /nfs/dbraw/zinc/59/72/24/407597224.db2.gz KEGNFBVRHSYFFD-UHFFFAOYSA-N 0 1 317.437 1.308 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000171190545 407620806 /nfs/dbraw/zinc/62/08/06/407620806.db2.gz UBHVLXIEHFSXDB-AWEZNQCLSA-N 0 1 307.394 1.388 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1[nH]nc3ccccc31)CC2 ZINC000114869679 407630666 /nfs/dbraw/zinc/63/06/66/407630666.db2.gz SWECRIRILZPDFO-NSHDSACASA-N 0 1 324.388 1.391 10 0 DDAEMN COCCN1CCN(Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000171570270 407708326 /nfs/dbraw/zinc/70/83/26/407708326.db2.gz FWHVBCOBZMPSCF-CYBMUJFWSA-N 0 1 317.437 1.429 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000262342416 407806440 /nfs/dbraw/zinc/80/64/40/407806440.db2.gz SXMCTWGFIHCZDG-CJNGLKHVSA-N 0 1 316.405 1.640 10 0 DDAEMN CCCN(C(=O)[C@@H](N)COC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262345587 407807186 /nfs/dbraw/zinc/80/71/86/407807186.db2.gz FXAMALXQUIPJPF-JSGCOSHPSA-N 0 1 307.394 1.226 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000262346186 407807313 /nfs/dbraw/zinc/80/73/13/407807313.db2.gz UCLCPVWTVLQYCW-OAHLLOKOSA-N 0 1 305.378 1.110 10 0 DDAEMN CCOc1ccc(Cl)cc1CCNC(=O)[C@H](N)COC ZINC000262385731 407820569 /nfs/dbraw/zinc/82/05/69/407820569.db2.gz YIWLQGZFTDTTQO-GFCCVEGCSA-N 0 1 300.786 1.371 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000262408305 407828298 /nfs/dbraw/zinc/82/82/98/407828298.db2.gz QINGEPCNSBMVRY-ZDUSSCGKSA-N 0 1 307.375 1.634 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262516386 407853015 /nfs/dbraw/zinc/85/30/15/407853015.db2.gz LKSFGJZKMUJGGW-UONOGXRCSA-N 0 1 313.442 1.162 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(C)cc2)C1 ZINC000262738688 407912585 /nfs/dbraw/zinc/91/25/85/407912585.db2.gz VWRNJQJVQFHRCA-UHFFFAOYSA-N 0 1 304.390 1.591 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262902660 407965214 /nfs/dbraw/zinc/96/52/14/407965214.db2.gz IITOOHMPKCYOEP-KGLIPLIRSA-N 0 1 314.426 1.589 10 0 DDAEMN O=C(NC[C@H]1CCCC[C@H]1O)c1cccc(-c2nnc[nH]2)c1 ZINC000153861412 407920010 /nfs/dbraw/zinc/92/00/10/407920010.db2.gz UKSWJXVYCJCPKZ-ZIAGYGMSSA-N 0 1 300.362 1.753 10 0 DDAEMN C[C@@H](O)CN1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000181815721 408041489 /nfs/dbraw/zinc/04/14/89/408041489.db2.gz FKNYDUBFLSWPEE-HUUCEWRRSA-N 0 1 314.470 1.885 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCC(C)(C)C)CCO1 ZINC000263011511 408001390 /nfs/dbraw/zinc/00/13/90/408001390.db2.gz YQOZGNYTSLVROZ-LBPRGKRZSA-N 0 1 300.399 1.057 10 0 DDAEMN CCSCC[C@H](C)NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245842117 408075787 /nfs/dbraw/zinc/07/57/87/408075787.db2.gz CVIARTIYEWHTFR-MJBXVCDLSA-N 0 1 317.499 1.615 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H]2CC[C@@H](C)C2)C1 ZINC000263343456 408113368 /nfs/dbraw/zinc/11/33/68/408113368.db2.gz FZVNRJZZUQGFPK-KBHBFKLGSA-N 0 1 311.426 1.659 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(SC)CC2)C1 ZINC000263368009 408119596 /nfs/dbraw/zinc/11/95/96/408119596.db2.gz LZJCCDJVNLTKHF-UHFFFAOYSA-N 0 1 315.439 1.119 10 0 DDAEMN Cc1ccc(CNC(=O)CN2CCN3CCCC[C@H]3C2)cc1F ZINC000246249553 408192712 /nfs/dbraw/zinc/19/27/12/408192712.db2.gz WGNWZSCIYSZBCP-INIZCTEOSA-N 0 1 319.424 1.920 10 0 DDAEMN O=C([O-])[C@H]1CCCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000263389547 408128128 /nfs/dbraw/zinc/12/81/28/408128128.db2.gz FUKIGZUAVYYTTJ-RYUDHWBXSA-N 0 1 306.366 1.369 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)CCC2CC2)C1 ZINC000263415207 408133791 /nfs/dbraw/zinc/13/37/91/408133791.db2.gz VUXVAPRCQBYFTL-XGNXJENSSA-N 0 1 311.426 1.802 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cnn(C)c3)C2=O)n(C)n1 ZINC000182352139 408135864 /nfs/dbraw/zinc/13/58/64/408135864.db2.gz ODARCMLTHGTDPB-GXTWGEPZSA-N 0 1 316.409 1.308 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)C(C2CC2)C2CC2)C1 ZINC000263434455 408138844 /nfs/dbraw/zinc/13/88/44/408138844.db2.gz OGALCFVLELKWDO-UHFFFAOYSA-N 0 1 320.433 1.866 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000246257823 408195412 /nfs/dbraw/zinc/19/54/12/408195412.db2.gz TYENGAINZCPQSR-ZWNOBZJWSA-N 0 1 318.389 1.972 10 0 DDAEMN O=C([O-])C[N@H+](CC1CC1)C1CC(Nc2ncnc3[n-]cnc32)C1 ZINC000263565524 408175713 /nfs/dbraw/zinc/17/57/13/408175713.db2.gz VSRWTCJBQMZABF-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ncnc3[n-]cnc32)C1 ZINC000263565524 408175719 /nfs/dbraw/zinc/17/57/19/408175719.db2.gz VSRWTCJBQMZABF-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN O=C([O-])C[N@H+](CC1CC1)C1CC(Nc2ncnc3[nH]cnc32)C1 ZINC000263565524 408175724 /nfs/dbraw/zinc/17/57/24/408175724.db2.gz VSRWTCJBQMZABF-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ncnc3[nH]cnc32)C1 ZINC000263565524 408175730 /nfs/dbraw/zinc/17/57/30/408175730.db2.gz VSRWTCJBQMZABF-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN COC(=O)C1CCC(C(=O)Nc2nc(-c3ccco3)n[nH]2)CC1 ZINC000182585538 408199123 /nfs/dbraw/zinc/19/91/23/408199123.db2.gz GUUDEGZUQQGVOR-UHFFFAOYSA-N 0 1 318.333 1.983 10 0 DDAEMN CCc1cnccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000137308541 162126228 /nfs/dbraw/zinc/12/62/28/162126228.db2.gz LBFBNOJZARSLJL-ZDUSSCGKSA-N 0 1 301.350 1.284 10 0 DDAEMN COc1ccnc(CN2CCC[C@@H](Cn3ccnn3)C2)c1OC ZINC000190937392 408346000 /nfs/dbraw/zinc/34/60/00/408346000.db2.gz ABDKCLXTKVHCPM-CYBMUJFWSA-N 0 1 317.393 1.603 10 0 DDAEMN O=C(C(=O)N1CCN2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000172116723 162259938 /nfs/dbraw/zinc/25/99/38/162259938.db2.gz ZGPUMDGAFLSDFD-INIZCTEOSA-N 0 1 324.384 1.362 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173683988 162357880 /nfs/dbraw/zinc/35/78/80/162357880.db2.gz BMDMJIMBKFZIBQ-JSGCOSHPSA-N 0 1 323.441 1.571 10 0 DDAEMN CCNC(=O)NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247338315 408455459 /nfs/dbraw/zinc/45/54/59/408455459.db2.gz FXYRQEIEOLYKDW-HUUCEWRRSA-N 0 1 319.405 1.420 10 0 DDAEMN CC(C)CN(C(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1)C1CC1 ZINC000247039862 408392504 /nfs/dbraw/zinc/39/25/04/408392504.db2.gz DRSSDONISILACB-GJZGRUSLSA-N 0 1 311.470 1.020 10 0 DDAEMN CC(C)(O)CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183738236 408479802 /nfs/dbraw/zinc/47/98/02/408479802.db2.gz KIZHWMUTSMNUMR-CYBMUJFWSA-N 0 1 304.456 1.084 10 0 DDAEMN CNC(=O)NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247700543 408504463 /nfs/dbraw/zinc/50/44/63/408504463.db2.gz XSSHSQYZIKNIAM-UONOGXRCSA-N 0 1 305.378 1.030 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCN1C[C@H](C)O ZINC000247389314 408461451 /nfs/dbraw/zinc/46/14/51/408461451.db2.gz WYQSQKIWRUMSBY-HRCADAONSA-N 0 1 311.470 1.164 10 0 DDAEMN CC(C)n1nccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247459928 408474287 /nfs/dbraw/zinc/47/42/87/408474287.db2.gz IGOZLGSDOADILW-OLZOCXBDSA-N 0 1 309.414 1.383 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(C[C@@H](O)CC)CC1 ZINC000177194776 408549885 /nfs/dbraw/zinc/54/98/85/408549885.db2.gz VDSHRBMYHUMAQU-AWEZNQCLSA-N 0 1 324.421 1.517 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177228398 408557473 /nfs/dbraw/zinc/55/74/73/408557473.db2.gz HYCIKRXWLDUDOC-JYJNAYRXSA-N 0 1 311.470 1.190 10 0 DDAEMN CCOCCN1CCN([C@H](C)c2nnnn2C2CC2)C[C@@H]1CC ZINC000248833339 408642397 /nfs/dbraw/zinc/64/23/97/408642397.db2.gz IYTHOOBBEKEJAT-KGLIPLIRSA-N 0 1 322.457 1.502 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184571877 408644788 /nfs/dbraw/zinc/64/47/88/408644788.db2.gz DLYCBCGRGMMBDQ-SNVBAGLBSA-N 0 1 309.370 1.781 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184571877 408644796 /nfs/dbraw/zinc/64/47/96/408644796.db2.gz DLYCBCGRGMMBDQ-SNVBAGLBSA-N 0 1 309.370 1.781 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000162076483 408666135 /nfs/dbraw/zinc/66/61/35/408666135.db2.gz OZAUDJLYQDVGOJ-KRWDZBQOSA-N 0 1 323.412 1.543 10 0 DDAEMN Cc1cc(N2CC[C@H](N3CCN4CCCC[C@@H]4C3)C2=O)n(C)n1 ZINC000177778692 408710621 /nfs/dbraw/zinc/71/06/21/408710621.db2.gz YZESRFQELPQBNJ-CABCVRRESA-N 0 1 317.437 1.004 10 0 DDAEMN CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CCC(C)CC1)CC2 ZINC000178071351 408769581 /nfs/dbraw/zinc/76/95/81/408769581.db2.gz QDKFXGDOMHKYRF-AWEZNQCLSA-N 0 1 319.453 1.564 10 0 DDAEMN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN2CCCC[C@@H]2C1 ZINC000195078479 163306223 /nfs/dbraw/zinc/30/62/23/163306223.db2.gz VZLZCBAAMDDNRS-GDBMZVCRSA-N 0 1 319.449 1.474 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000195111274 163307108 /nfs/dbraw/zinc/30/71/08/163307108.db2.gz GNNGKZPBAUERDW-LZWOXQAQSA-N 0 1 321.469 1.680 10 0 DDAEMN CCn1nc(C)c([C@H](C)NCCS(=O)(=O)N(C)C)c1C ZINC000230990105 163348615 /nfs/dbraw/zinc/34/86/15/163348615.db2.gz ZHZHWTGVOLDEIG-JTQLQIEISA-N 0 1 302.444 1.062 10 0 DDAEMN CN1CCO[C@H]2CN(c3nn4cc(C(C)(C)C)nc4s3)C[C@H]21 ZINC000301649497 410763782 /nfs/dbraw/zinc/76/37/82/410763782.db2.gz JCQLQUBCIIRKBS-MNOVXSKESA-N 0 1 321.450 1.608 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCc2cccs2)C1 ZINC000195355670 222199801 /nfs/dbraw/zinc/19/98/01/222199801.db2.gz DYAZOBIAHQEUSW-GFCCVEGCSA-N 0 1 302.465 1.694 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)CCc2cccs2)C1 ZINC000195355670 222199803 /nfs/dbraw/zinc/19/98/03/222199803.db2.gz DYAZOBIAHQEUSW-GFCCVEGCSA-N 0 1 302.465 1.694 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000375477808 418646215 /nfs/dbraw/zinc/64/62/15/418646215.db2.gz GLPKQZLKZPDCKQ-LNSITVRQSA-N 0 1 306.410 1.620 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000375477808 418646216 /nfs/dbraw/zinc/64/62/16/418646216.db2.gz GLPKQZLKZPDCKQ-LNSITVRQSA-N 0 1 306.410 1.620 10 0 DDAEMN Cc1ccc(F)c(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c1 ZINC000527562741 421414952 /nfs/dbraw/zinc/41/49/52/421414952.db2.gz WHEUGQSJMLJZOI-SUNKGSAMSA-N 0 1 318.352 1.537 10 0 DDAEMN CCCC[C@@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630571092 422187725 /nfs/dbraw/zinc/18/77/25/422187725.db2.gz JGECJRGMUPYGLF-LSDHHAIUSA-N 0 1 321.421 1.205 10 0 DDAEMN CCCC[C@@H](NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630571092 422187729 /nfs/dbraw/zinc/18/77/29/422187729.db2.gz JGECJRGMUPYGLF-LSDHHAIUSA-N 0 1 321.421 1.205 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](n2ccc(N)n2)C1 ZINC000616620065 422517037 /nfs/dbraw/zinc/51/70/37/422517037.db2.gz NKSOUEDMBRSHIU-GFCCVEGCSA-N 0 1 309.414 1.627 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ncccc2C)CCN1C[C@@H](C)O ZINC000183804117 263381346 /nfs/dbraw/zinc/38/13/46/263381346.db2.gz ZMTDGTJJAGQUNP-XLBHYRNJSA-N 0 1 317.433 1.707 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000118859331 276444896 /nfs/dbraw/zinc/44/48/96/276444896.db2.gz VKQDMAZDFALIJD-MRXNPFEDSA-N 0 1 311.470 1.071 10 0 DDAEMN CN1CCN2CCN(c3cnc4ccc(Cl)cc4n3)C[C@H]2C1 ZINC000244787811 277115579 /nfs/dbraw/zinc/11/55/79/277115579.db2.gz QECUKMNXTXPXEG-CYBMUJFWSA-N 0 1 317.824 1.719 10 0 DDAEMN CC(C)c1nnc(NC(=O)CN2CCN3CCCC[C@@H]3C2)s1 ZINC000178008180 278102994 /nfs/dbraw/zinc/10/29/94/278102994.db2.gz JRTHJCYVKKSPMU-GFCCVEGCSA-N 0 1 323.466 1.770 10 0 DDAEMN Cc1ccc(F)cc1NC(=O)[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000105933109 281051621 /nfs/dbraw/zinc/05/16/21/281051621.db2.gz OMFFKIJFGUUBKA-OCCSQVGLSA-N 0 1 309.385 1.381 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc3nccnc3n2)n[nH]1 ZINC000330178865 293364191 /nfs/dbraw/zinc/36/41/91/293364191.db2.gz DYZBXHKNNUCYFN-ZDUSSCGKSA-N 0 1 323.360 1.819 10 0 DDAEMN CCc1noc([C@H](C)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)n1 ZINC000375438201 307226554 /nfs/dbraw/zinc/22/65/54/307226554.db2.gz NPDLARJXPCTASI-JFILPPLUSA-N 0 1 309.410 1.945 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000122210433 696719688 /nfs/dbraw/zinc/71/96/88/696719688.db2.gz NTSIZEBRJALTGC-NSHDSACASA-N 0 1 310.785 1.274 10 0 DDAEMN CCOC(=O)c1cnn(CN2CCN(CCOC)[C@H](CC)C2)c1 ZINC000133175459 696823215 /nfs/dbraw/zinc/82/32/15/696823215.db2.gz ADEQRNIUAOSUJF-OAHLLOKOSA-N 0 1 324.425 1.060 10 0 DDAEMN CCCCC[C@@H](C)NC(=O)CN1CCN(C[C@@H](O)CC)CC1 ZINC000174073185 697383636 /nfs/dbraw/zinc/38/36/36/697383636.db2.gz RQDYLESENQFVQP-CVEARBPZSA-N 0 1 313.486 1.460 10 0 DDAEMN CCCn1cc(NC(=O)N2CCN(CCOC)[C@H](CC)C2)cn1 ZINC000174147879 697385360 /nfs/dbraw/zinc/38/53/60/697385360.db2.gz SSAPRZYXUFZNFD-OAHLLOKOSA-N 0 1 323.441 1.868 10 0 DDAEMN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178964573 697431861 /nfs/dbraw/zinc/43/18/61/697431861.db2.gz BNSAEFFTXKRQFS-SFYZADRCSA-N 0 1 324.233 1.794 10 0 DDAEMN CCNS(=O)(=O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000221995542 697756087 /nfs/dbraw/zinc/75/60/87/697756087.db2.gz XZVRMKJZKZDIBS-SNVBAGLBSA-N 0 1 302.444 1.110 10 0 DDAEMN CCCN1CCN(C(=O)CCn2ncc3c2c(C)nn3C)CC1 ZINC000223862479 697763238 /nfs/dbraw/zinc/76/32/38/697763238.db2.gz QNXOIYZAOUKBIB-UHFFFAOYSA-N 0 1 318.425 1.023 10 0 DDAEMN CCC/C=C\[C@H](C(=O)[O-])[N@H+]1CCCN(c2ncccn2)CC1 ZINC000229793366 697779689 /nfs/dbraw/zinc/77/96/89/697779689.db2.gz MSFGVOZSYMVACK-HJHHMULASA-N 0 1 304.394 1.798 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)C1CCOCC1 ZINC000245912029 698340797 /nfs/dbraw/zinc/34/07/97/698340797.db2.gz VSTXJPPGUAGXSM-GDPRMGEGSA-N 0 1 323.311 1.802 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2csc(C)n2)CCN1C[C@H](C)O ZINC000246793464 698355421 /nfs/dbraw/zinc/35/54/21/698355421.db2.gz JMYCOINAILYZMK-SMDDNHRTSA-N 0 1 311.451 1.298 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CN2CC(=O)N(CC)C2=O)C12CCCC2 ZINC000247027233 698359968 /nfs/dbraw/zinc/35/99/68/698359968.db2.gz PCOQTXRVGAOVNT-UONOGXRCSA-N 0 1 323.437 1.898 10 0 DDAEMN CCOCCN1CCN(Cc2ncc(Cl)n2C)C[C@H]1C ZINC000247248348 698364033 /nfs/dbraw/zinc/36/40/33/698364033.db2.gz SYDCLPZETVYVPO-GFCCVEGCSA-N 0 1 300.834 1.616 10 0 DDAEMN CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](N)COC ZINC000262272241 698462239 /nfs/dbraw/zinc/46/22/39/698462239.db2.gz VYPREKUXBGJKMP-LLVKDONJSA-N 0 1 313.785 1.392 10 0 DDAEMN CC[C@H]1C[C@@H](C)CN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263473106 698508772 /nfs/dbraw/zinc/50/87/72/698508772.db2.gz LXHIYORXSXEXKQ-ZIHBUVQPSA-N 0 1 311.426 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cn(C(C)C)nc2C)C1 ZINC000263514466 698511007 /nfs/dbraw/zinc/51/10/07/698511007.db2.gz OIKQFFBGQWFDQD-UHFFFAOYSA-N 0 1 308.426 1.800 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccnc3cccnc32)C1 ZINC000263569686 698514480 /nfs/dbraw/zinc/51/44/80/698514480.db2.gz ZNPMBIRBZHKZEX-UHFFFAOYSA-N 0 1 300.362 1.979 10 0 DDAEMN O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705945332 699242627 /nfs/dbraw/zinc/24/26/27/699242627.db2.gz VGUVNIAYJZIHRB-FZKCQIBNSA-N 0 1 314.385 1.298 10 0 DDAEMN Cc1nc(CN[C@H]2CCC(=O)N[C@H]2C)sc1Br ZINC000719257224 699299766 /nfs/dbraw/zinc/29/97/66/699299766.db2.gz NHZKELGIMPKAMG-XPUUQOCRSA-N 0 1 318.240 1.971 10 0 DDAEMN O[C@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cnc[nH]2)C1 ZINC000818251508 702617074 /nfs/dbraw/zinc/61/70/74/702617074.db2.gz KLNMTKQXNILQOO-HNNXBMFYSA-N 0 1 303.366 1.240 10 0 DDAEMN Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)no1 ZINC000886043428 708687836 /nfs/dbraw/zinc/68/78/36/708687836.db2.gz CGAWQXIWVMRWPV-SWLSCSKDSA-N 0 1 317.393 1.529 10 0 DDAEMN Cc1cc2c(NC[C@@H]3CCO[C@@H]3c3n[nH]c(C)n3)nccn2n1 ZINC000888094157 709211333 /nfs/dbraw/zinc/21/13/33/709211333.db2.gz ARYUPLQKTHIOEZ-AAEUAGOBSA-N 0 1 313.365 1.654 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](N3CCC3)C2)C1 ZINC000912916916 713123530 /nfs/dbraw/zinc/12/35/30/713123530.db2.gz SXJLZJSLYBNWSP-ZIAGYGMSSA-N 0 1 323.437 1.550 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(O)cc2O)CCN1C[C@H](C)O ZINC000248410680 282081447 /nfs/dbraw/zinc/08/14/47/282081447.db2.gz HGCBBUSOSPBHDO-NWDGAFQWSA-N 0 1 308.378 1.015 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)Nc1c(C(N)=S)cnc2ccccc21 ZINC000081904319 192336743 /nfs/dbraw/zinc/33/67/43/192336743.db2.gz JOBBGGLEDAYABN-VIFPVBQESA-N 0 1 323.443 1.714 10 0 DDAEMN COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000249308024 282143465 /nfs/dbraw/zinc/14/34/65/282143465.db2.gz DDDQOIDPTFVJOM-YQQAZPJKSA-N 0 1 320.433 1.990 10 0 DDAEMN COCCO[C@@H]1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000249308024 282143471 /nfs/dbraw/zinc/14/34/71/282143471.db2.gz DDDQOIDPTFVJOM-YQQAZPJKSA-N 0 1 320.433 1.990 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCC(=O)OC)c1ccccc1C ZINC000081974931 192347495 /nfs/dbraw/zinc/34/74/95/192347495.db2.gz QNGSFMIXOXQAOT-CQSZACIVSA-N 0 1 313.419 1.624 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC1CCC(CO)CC1 ZINC000181078936 539236830 /nfs/dbraw/zinc/23/68/30/539236830.db2.gz VQCYNPGVMWCVME-OFLPRAFFSA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1cncc(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)c1 ZINC000088449313 185251411 /nfs/dbraw/zinc/25/14/11/185251411.db2.gz JBSKVNBTSDFEBH-UHFFFAOYSA-N 0 1 306.435 1.213 10 0 DDAEMN N=C1N[C@@H](c2cc(Br)c3c(c2)OCCCO3)CO1 ZINC000088532404 185255035 /nfs/dbraw/zinc/25/50/35/185255035.db2.gz VYYYHEVLXWEVOG-SECBINFHSA-N 0 1 313.151 1.996 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3coc(C4CCC4)n3)CCO2)n[nH]1 ZINC000192648467 539260144 /nfs/dbraw/zinc/26/01/44/539260144.db2.gz SGYBHLQLVMKMQU-LBPRGKRZSA-N 0 1 317.349 1.582 10 0 DDAEMN C[C@@H](C[NH3+])CSCC(=O)[N-]C(=O)c1ccccc1Cl ZINC000090350980 185292035 /nfs/dbraw/zinc/29/20/35/185292035.db2.gz GWGMTKZTBZQXGF-VIFPVBQESA-N 0 1 300.811 1.924 10 0 DDAEMN CCC[N@@H+](CC(=O)NC(C)(C)CC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090525052 185300344 /nfs/dbraw/zinc/30/03/44/185300344.db2.gz XXBLNZCGTPQLAA-NWDGAFQWSA-N 0 1 300.399 1.103 10 0 DDAEMN C[N@H+](Cc1cc(-c2cccs2)on1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090423720 185295332 /nfs/dbraw/zinc/29/53/32/185295332.db2.gz GFTRLFJOJKTILE-WDEREUQCSA-N 0 1 308.359 1.935 10 0 DDAEMN C[N@@H+](Cc1cc(-c2cccs2)on1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090423720 185295333 /nfs/dbraw/zinc/29/53/33/185295333.db2.gz GFTRLFJOJKTILE-WDEREUQCSA-N 0 1 308.359 1.935 10 0 DDAEMN C[N@H+](Cc1cc(-c2cccs2)on1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090423723 185295394 /nfs/dbraw/zinc/29/53/94/185295394.db2.gz GFTRLFJOJKTILE-QWRGUYRKSA-N 0 1 308.359 1.935 10 0 DDAEMN C[N@@H+](Cc1cc(-c2cccs2)on1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090423723 185295395 /nfs/dbraw/zinc/29/53/95/185295395.db2.gz GFTRLFJOJKTILE-QWRGUYRKSA-N 0 1 308.359 1.935 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cnc(C)s2)CCN1C[C@H](C)O ZINC000255263022 282242342 /nfs/dbraw/zinc/24/23/42/282242342.db2.gz LJTSMGDHVVSTBU-KIZSPLDGSA-N 0 1 323.462 1.768 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(NC)nc1 ZINC000092672928 185333237 /nfs/dbraw/zinc/33/32/37/185333237.db2.gz KJOVGVBSNNLALW-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000092678085 185333621 /nfs/dbraw/zinc/33/36/21/185333621.db2.gz ZKYMCJBHBZOECP-LBPRGKRZSA-N 0 1 316.398 1.033 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000255893557 282284232 /nfs/dbraw/zinc/28/42/32/282284232.db2.gz HCAMNXNMVCVZPM-VQTKUKTRSA-N 0 1 323.824 1.663 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCCC[C@H]1c1nn[nH]n1 ZINC000616634589 362764909 /nfs/dbraw/zinc/76/49/09/362764909.db2.gz XUGUSVHGSQECTM-LBPRGKRZSA-N 0 1 307.379 1.506 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000155695452 186103441 /nfs/dbraw/zinc/10/34/41/186103441.db2.gz IYXFDUKGMOXQPW-BBWFWOEESA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1C ZINC000262899572 186321657 /nfs/dbraw/zinc/32/16/57/186321657.db2.gz HWONQNPGDVWYLE-OAHLLOKOSA-N 0 1 320.389 1.161 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000173273044 198204569 /nfs/dbraw/zinc/20/45/69/198204569.db2.gz FQCZHPNOJBERSK-CZUORRHYSA-N 0 1 323.412 1.812 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173686890 198241182 /nfs/dbraw/zinc/24/11/82/198241182.db2.gz YBCKLNDBVIUZLY-LLVKDONJSA-N 0 1 324.816 1.636 10 0 DDAEMN Cc1nnc(SCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000174853603 198393516 /nfs/dbraw/zinc/39/35/16/198393516.db2.gz PMCMENYFXWKSBC-LLVKDONJSA-N 0 1 306.395 1.682 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000174853603 198393518 /nfs/dbraw/zinc/39/35/18/198393518.db2.gz PMCMENYFXWKSBC-LLVKDONJSA-N 0 1 306.395 1.682 10 0 DDAEMN CCCCS(=O)(=O)Nc1cc(F)cc2c1OCC(=O)N2 ZINC000074840105 191370524 /nfs/dbraw/zinc/37/05/24/191370524.db2.gz RGCYEKJCTGCGDB-UHFFFAOYSA-N 0 1 302.327 1.698 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@@H](c2ccccc2C(F)(F)F)NC1 ZINC000080100915 192000382 /nfs/dbraw/zinc/00/03/82/192000382.db2.gz QUDIMBZVDIOUPK-KCJUWKMLSA-N 0 1 308.325 1.787 10 0 DDAEMN CC[C@H](NS(=O)(=O)c1ccnc(NN)c1)c1nccs1 ZINC000080314520 192023802 /nfs/dbraw/zinc/02/38/02/192023802.db2.gz IVWMQWOATWXOBH-VIFPVBQESA-N 0 1 313.408 1.253 10 0 DDAEMN CCCN[C@H](C)c1csc(N2CCS(=O)(=O)CC2)n1 ZINC000080804909 192192728 /nfs/dbraw/zinc/19/27/28/192192728.db2.gz VSDPCMNZEHBDQG-SNVBAGLBSA-N 0 1 303.453 1.439 10 0 DDAEMN CCNc1ncc(S(=O)(=O)NCCN(C)C)cc1Cl ZINC000081680122 192311945 /nfs/dbraw/zinc/31/19/45/192311945.db2.gz NTMJSKSXOUPWTD-UHFFFAOYSA-N 0 1 306.819 1.007 10 0 DDAEMN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180727532 199201918 /nfs/dbraw/zinc/20/19/18/199201918.db2.gz FDWXMVCOYMAWBV-DTWKUNHWSA-N 0 1 316.760 1.807 10 0 DDAEMN CN(C)c1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cn1 ZINC000091595556 193077642 /nfs/dbraw/zinc/07/76/42/193077642.db2.gz MWCUPAVMRUBERI-OAHLLOKOSA-N 0 1 305.422 1.654 10 0 DDAEMN O=C([O-])c1nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC000091672525 193089745 /nfs/dbraw/zinc/08/97/45/193089745.db2.gz RHOLIDZBMMJNOD-ZJUUUORDSA-N 0 1 311.769 1.708 10 0 DDAEMN CCc1nc([C@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687397 193091425 /nfs/dbraw/zinc/09/14/25/193091425.db2.gz IWJRPYQGHLEKJM-MRVPVSSYSA-N 0 1 302.172 1.098 10 0 DDAEMN CNCc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)ccc1F ZINC000092113777 193161763 /nfs/dbraw/zinc/16/17/63/193161763.db2.gz RRHQLSCMGNXDGW-GHMZBOCLSA-N 0 1 300.399 1.822 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)N(C)CC(C)(C)O ZINC000092966860 193189290 /nfs/dbraw/zinc/18/92/90/193189290.db2.gz TWJRFIROGHVGCN-JTQLQIEISA-N 0 1 309.435 1.351 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC(c2ccc(O)cc2)CC1 ZINC000262211111 203230253 /nfs/dbraw/zinc/23/02/53/203230253.db2.gz OCPHMPVWQFFKEI-OAHLLOKOSA-N 0 1 304.390 1.477 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)N(CC)C[C@@H](C)CC ZINC000093265979 193222636 /nfs/dbraw/zinc/22/26/36/193222636.db2.gz VCSSIUBOOXLHGL-NSHDSACASA-N 0 1 316.471 1.884 10 0 DDAEMN c1ncc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)[nH]1 ZINC000093273142 193223179 /nfs/dbraw/zinc/22/31/79/193223179.db2.gz BXKDFQNDSGNYFC-UHFFFAOYSA-N 0 1 322.416 1.913 10 0 DDAEMN Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCCCCC[NH3+] ZINC000262672288 203376161 /nfs/dbraw/zinc/37/61/61/203376161.db2.gz OWOMLJGOGJRQQD-UHFFFAOYSA-N 0 1 319.409 1.165 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H](Sc2nnc3ccccn32)C1 ZINC000093779480 193305930 /nfs/dbraw/zinc/30/59/30/193305930.db2.gz MZPVSKXOOVPHNX-HZMBPMFUSA-N 0 1 306.391 1.635 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853721 193319927 /nfs/dbraw/zinc/31/99/27/193319927.db2.gz LAYWQKBXLIKQPO-RDDDGLTNSA-N 0 1 302.425 1.119 10 0 DDAEMN C[C@]1(CNS(=O)(=O)c2cccc(F)c2CN)CCCO1 ZINC000094801024 193399579 /nfs/dbraw/zinc/39/95/79/193399579.db2.gz RHEDTSBCMCVUKG-CYBMUJFWSA-N 0 1 302.371 1.132 10 0 DDAEMN O=C1CCc2cc(NS(=O)(=O)c3cccnc3)ccc2N1 ZINC000038720371 183008077 /nfs/dbraw/zinc/00/80/77/183008077.db2.gz SZVTVHYXSXQJFH-UHFFFAOYSA-N 0 1 303.343 1.767 10 0 DDAEMN CC[C@@H](C)[C@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682512 183216672 /nfs/dbraw/zinc/21/66/72/183216672.db2.gz WFXQFGYORRENGA-OLZOCXBDSA-N 0 1 301.431 1.905 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cccc([C@H](C)O)c1 ZINC000041684818 183216922 /nfs/dbraw/zinc/21/69/22/183216922.db2.gz SQAOKFLYYOQUBN-ZDUSSCGKSA-N 0 1 314.451 1.702 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000105264096 194089651 /nfs/dbraw/zinc/08/96/51/194089651.db2.gz CYQUQACJDOIVHJ-UONOGXRCSA-N 0 1 324.469 1.559 10 0 DDAEMN COc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)=NO[C@@H]3C2=O)cc1 ZINC000105592312 194112856 /nfs/dbraw/zinc/11/28/56/194112856.db2.gz XSBLVCFDZHXPJR-ZBFHGGJFSA-N 0 1 322.320 1.988 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105821904 194138390 /nfs/dbraw/zinc/13/83/90/194138390.db2.gz PBIXQPYFYYYMMJ-ZIAGYGMSSA-N 0 1 321.421 1.021 10 0 DDAEMN CC[C@H](C)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105818279 194135840 /nfs/dbraw/zinc/13/58/40/194135840.db2.gz SBNVKXLNKZRPPL-HOTGVXAUSA-N 0 1 311.470 1.286 10 0 DDAEMN CCOCCN1CCN(CC(=O)N[C@@H](C)C(C)C)C[C@H]1CC ZINC000105837834 194144374 /nfs/dbraw/zinc/14/43/74/194144374.db2.gz MJLNHPNTJPVHCR-JKSUJKDBSA-N 0 1 313.486 1.580 10 0 DDAEMN C[C@@H](C(=O)N1CCCCC1)N1CCCN(c2cccnn2)CC1 ZINC000105909206 194167286 /nfs/dbraw/zinc/16/72/86/194167286.db2.gz GJWTWDAGERIOBU-HNNXBMFYSA-N 0 1 317.437 1.390 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H]1C ZINC000105912257 194169218 /nfs/dbraw/zinc/16/92/18/194169218.db2.gz HXYKPCLSACHYHS-NWDGAFQWSA-N 0 1 322.434 1.685 10 0 DDAEMN Cc1nc2ccccc2nc1N1CCN(CC(N)=S)CC1 ZINC000109442941 194264167 /nfs/dbraw/zinc/26/41/67/194264167.db2.gz QIRHIRBYISPINX-UHFFFAOYSA-N 0 1 301.419 1.346 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)CCOCC)CC1 ZINC000109464709 194266280 /nfs/dbraw/zinc/26/62/80/194266280.db2.gz HAUYTYXFEDKEFY-LBPRGKRZSA-N 0 1 301.456 1.012 10 0 DDAEMN Cc1cccc(NC(=O)N2CCN([C@@H](C)C(N)=S)CC2)c1 ZINC000109466464 194266758 /nfs/dbraw/zinc/26/67/58/194266758.db2.gz OTLNBOHAIGBBGB-LBPRGKRZSA-N 0 1 306.435 1.819 10 0 DDAEMN CCCNc1ncc(S(=O)(=O)Nc2ccncc2C)cn1 ZINC000111044308 194386191 /nfs/dbraw/zinc/38/61/91/194386191.db2.gz ZQTNESCWUIHHPH-UHFFFAOYSA-N 0 1 307.379 1.803 10 0 DDAEMN O=S(=O)(C[C@H]1CCCC[NH2+]1)[N-]c1cc(F)c(F)c(F)c1 ZINC000061120953 184162659 /nfs/dbraw/zinc/16/26/59/184162659.db2.gz IDTACYAFQBJZCK-MRVPVSSYSA-N 0 1 308.325 1.988 10 0 DDAEMN NC(=O)c1cc(Cl)ccc1N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145859 184162921 /nfs/dbraw/zinc/16/29/21/184162921.db2.gz RYUGCPCRVWWLGR-UHFFFAOYSA-N 0 1 311.769 1.036 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cn1 ZINC000061655948 184181061 /nfs/dbraw/zinc/18/10/61/184181061.db2.gz RLLUWJIKPDBIOD-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN Cc1cc(F)ccc1S(=O)(=O)NOCCN1CCCC1 ZINC000062578386 184244407 /nfs/dbraw/zinc/24/44/07/184244407.db2.gz KSFOKOCICGTEHJ-UHFFFAOYSA-N 0 1 302.371 1.440 10 0 DDAEMN NC(=S)c1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000062980167 184264097 /nfs/dbraw/zinc/26/40/97/184264097.db2.gz XZNSYTROCNXCLJ-OAHLLOKOSA-N 0 1 305.447 1.227 10 0 DDAEMN CCCNc1ccccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000062984593 184264910 /nfs/dbraw/zinc/26/49/10/184264910.db2.gz HALONOAMUXUHTD-CYBMUJFWSA-N 0 1 311.451 1.833 10 0 DDAEMN CN1CC[C@@H](NCc2ccc(Br)c(F)c2)C1=O ZINC000116390612 194742179 /nfs/dbraw/zinc/74/21/79/194742179.db2.gz UECGJMOLAAOQCR-LLVKDONJSA-N 0 1 301.159 1.909 10 0 DDAEMN COCCN1CC[C@@H]2C[C@H](C(=O)NCc3ccco3)O[C@H]2C1 ZINC000247824609 257117514 /nfs/dbraw/zinc/11/75/14/257117514.db2.gz FIHFMEVTAVZWCH-YUELXQCFSA-N 0 1 308.378 1.022 10 0 DDAEMN O=C([O-])c1nn(Cc2cn3ccccc3[nH+]2)c(=O)c2ccccc21 ZINC000035354973 406972495 /nfs/dbraw/zinc/97/24/95/406972495.db2.gz OEFQWMGCAGDCBR-UHFFFAOYSA-N 0 1 320.308 1.791 10 0 DDAEMN CC(C)(C)OC(=O)N1CCC(NCC(=O)c2cnccn2)CC1 ZINC000095083531 407206056 /nfs/dbraw/zinc/20/60/56/407206056.db2.gz RXLNMXQGTUFCGF-UHFFFAOYSA-N 0 1 320.393 1.648 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCN1CCCC1=O ZINC000106901136 407365516 /nfs/dbraw/zinc/36/55/16/407365516.db2.gz ASJKKXKEBNPZON-MRXNPFEDSA-N 0 1 317.433 1.288 10 0 DDAEMN Cc1nc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)sc1C ZINC000112548544 407432273 /nfs/dbraw/zinc/43/22/73/407432273.db2.gz MOQNJCASNZSRHT-PWSUYJOCSA-N 0 1 312.439 1.007 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000170903720 407548797 /nfs/dbraw/zinc/54/87/97/407548797.db2.gz YMXJJHRCZYSTSN-MRXNPFEDSA-N 0 1 317.433 1.336 10 0 DDAEMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1noc(CN)n1 ZINC000261794774 407620182 /nfs/dbraw/zinc/62/01/82/407620182.db2.gz QJIUYJFUNOJYEJ-CYBMUJFWSA-N 0 1 301.394 1.235 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3CC[C@H](C)O3)n2)cc1 ZINC000152471197 407639515 /nfs/dbraw/zinc/63/95/15/407639515.db2.gz MWLPFWIVPVPVHO-GWCFXTLKSA-N 0 1 316.361 1.664 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)[C@@H]3CC[C@H](C)O3)n[nH]2)cc1 ZINC000152471197 407639520 /nfs/dbraw/zinc/63/95/20/407639520.db2.gz MWLPFWIVPVPVHO-GWCFXTLKSA-N 0 1 316.361 1.664 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000186643967 407730113 /nfs/dbraw/zinc/73/01/13/407730113.db2.gz PVAUEEOZKSOEKU-UHFFFAOYSA-N 0 1 318.417 1.935 10 0 DDAEMN CN(C)C[C@H]1CN(C(=O)CCC(=O)c2cccs2)CCO1 ZINC000116788413 407774903 /nfs/dbraw/zinc/77/49/03/407774903.db2.gz XSBXKKQKFIYNAL-LBPRGKRZSA-N 0 1 310.419 1.500 10 0 DDAEMN CSC[C@@H](CCO)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000132974354 407814492 /nfs/dbraw/zinc/81/44/92/407814492.db2.gz AZKJKWVUBJFPME-HUUCEWRRSA-N 0 1 310.463 1.390 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000262374512 407815869 /nfs/dbraw/zinc/81/58/69/407815869.db2.gz WZVHDDMDTIDCFK-IINYFYTJSA-N 0 1 320.393 1.121 10 0 DDAEMN CC(C)CCNC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262466643 407840877 /nfs/dbraw/zinc/84/08/77/407840877.db2.gz MAGWZKRZJAGARN-CYBMUJFWSA-N 0 1 313.442 1.018 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)O1 ZINC000180288867 407871743 /nfs/dbraw/zinc/87/17/43/407871743.db2.gz LNAZFHNFWBZMLX-DOTOQJQBSA-N 0 1 324.465 1.905 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCC2CCOCC2)C1 ZINC000262688665 407900740 /nfs/dbraw/zinc/90/07/40/407900740.db2.gz BPIQZAMCKYFAOW-UHFFFAOYSA-N 0 1 312.410 1.247 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)c2cccs2)C1 ZINC000262696273 407904043 /nfs/dbraw/zinc/90/40/43/407904043.db2.gz DUIDUQSRPJEDKV-VOMCLLRMSA-N 0 1 310.419 1.905 10 0 DDAEMN CCC(C)(C)NC(=O)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262476905 407846098 /nfs/dbraw/zinc/84/60/98/407846098.db2.gz JZWJJPICIWMLEQ-CYBMUJFWSA-N 0 1 313.442 1.162 10 0 DDAEMN CC(C)CCc1noc(CN2CCC([N@@H+](C)CC(=O)[O-])CC2)n1 ZINC000262876930 407961151 /nfs/dbraw/zinc/96/11/51/407961151.db2.gz DSIQIQBPAKFHQM-UHFFFAOYSA-N 0 1 324.425 1.639 10 0 DDAEMN CCN1CCO[C@@H](CNCc2ccc(Br)cn2)C1 ZINC000134619285 407918642 /nfs/dbraw/zinc/91/86/42/407918642.db2.gz HQJHXILONAXEEC-ZDUSSCGKSA-N 0 1 314.227 1.654 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1C(F)(F)F ZINC000263094750 408024094 /nfs/dbraw/zinc/02/40/94/408024094.db2.gz YVPOLMRLRHMJON-GHMZBOCLSA-N 0 1 322.327 1.584 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)N[C@@H]3CCCOCC3)CCO2)n[nH]1 ZINC000181827963 408045349 /nfs/dbraw/zinc/04/53/49/408045349.db2.gz DXUYHJGZBXPFJI-VXGBXAGGSA-N 0 1 323.397 1.019 10 0 DDAEMN CCOCCN1CCN(Cc2cnn3ccccc23)C[C@H]1C ZINC000245814167 408072758 /nfs/dbraw/zinc/07/27/58/408072758.db2.gz ZWNYYKITLGABPJ-OAHLLOKOSA-N 0 1 302.422 1.877 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000175196552 408074812 /nfs/dbraw/zinc/07/48/12/408074812.db2.gz NJZZOKBPVSLVKO-HNNXBMFYSA-N 0 1 321.469 1.183 10 0 DDAEMN CCN(CCC1CC1)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263454636 408143388 /nfs/dbraw/zinc/14/33/88/408143388.db2.gz HBTRUVUDIANBIO-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN CN1CCO[C@H](CN[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246128156 408148423 /nfs/dbraw/zinc/14/84/23/408148423.db2.gz BANDJCANUUXILU-CABCVRRESA-N 0 1 323.824 1.366 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000263502507 408159344 /nfs/dbraw/zinc/15/93/44/408159344.db2.gz VZKLBTIPVMXKQC-NRXISQOPSA-N 0 1 323.437 1.898 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)cs2)CCO1 ZINC000263520224 408162056 /nfs/dbraw/zinc/16/20/56/408162056.db2.gz QNEPSXVMJBXUEP-NSHDSACASA-N 0 1 318.826 1.619 10 0 DDAEMN Cc1nc([C@H]2CN(c3nnc(C(F)(F)F)s3)CCO2)n[nH]1 ZINC000155417228 408164781 /nfs/dbraw/zinc/16/47/81/408164781.db2.gz CUUYUZWUJLFZMI-ZCFIWIBFSA-N 0 1 320.300 1.561 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C[C@H](C)O ZINC000246222455 408181318 /nfs/dbraw/zinc/18/13/18/408181318.db2.gz ZCRMSDUJYWRQGB-HOCLYGCPSA-N 0 1 319.449 1.670 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)Nc2cccc(CN3CCN(C)CC3)c2)O1 ZINC000150831082 408208589 /nfs/dbraw/zinc/20/85/89/408208589.db2.gz NENHARIPMOZZMB-WMLDXEAASA-N 0 1 317.433 1.940 10 0 DDAEMN O=C(NC[C@H]1CSCCS1)N1CCN2CCCC[C@@H]2C1 ZINC000246315368 408215792 /nfs/dbraw/zinc/21/57/92/408215792.db2.gz WNHDJHUGDBJILR-OLZOCXBDSA-N 0 1 315.508 1.715 10 0 DDAEMN Cc1nc(C)c(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000246373586 408235076 /nfs/dbraw/zinc/23/50/76/408235076.db2.gz AIOKVVJJVDZABP-SKDRFNHKSA-N 0 1 317.480 1.767 10 0 DDAEMN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)noc1C ZINC000246816035 408347205 /nfs/dbraw/zinc/34/72/05/408347205.db2.gz CAKGCMGEXPUXJQ-STQMWFEESA-N 0 1 313.423 1.539 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000246911223 408363959 /nfs/dbraw/zinc/36/39/59/408363959.db2.gz QETMUVZEFGRNEP-DZGCQCFKSA-N 0 1 324.396 1.508 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000173451821 162339177 /nfs/dbraw/zinc/33/91/77/162339177.db2.gz YTJRDIGYSVCUNT-MRXNPFEDSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)n[nH]1 ZINC000173530704 162344728 /nfs/dbraw/zinc/34/47/28/162344728.db2.gz KKPHPBPJFICKQT-LBPRGKRZSA-N 0 1 318.381 1.278 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n[nH]1 ZINC000173531705 162345128 /nfs/dbraw/zinc/34/51/28/162345128.db2.gz PCHJCOZDOXNEPQ-HNNXBMFYSA-N 0 1 323.356 1.875 10 0 DDAEMN O[C@@H](CN1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000173903696 162375509 /nfs/dbraw/zinc/37/55/09/162375509.db2.gz UQIXGCYSCKSQOR-HOTGVXAUSA-N 0 1 310.825 1.780 10 0 DDAEMN COCC[N@H+]1CCN(C[C@@H](O)COCc2ccccc2)C[C@@H]1C ZINC000247214916 408429874 /nfs/dbraw/zinc/42/98/74/408429874.db2.gz PZBXNKOHQSSCAB-FUHWJXTLSA-N 0 1 322.449 1.217 10 0 DDAEMN CCN(C(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000247215400 408430057 /nfs/dbraw/zinc/43/00/57/408430057.db2.gz QBDITYWMPCOEHA-HOTGVXAUSA-N 0 1 319.449 1.426 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000183536529 408436747 /nfs/dbraw/zinc/43/67/47/408436747.db2.gz CSOZQVKEQDSABG-NSHDSACASA-N 0 1 315.377 1.479 10 0 DDAEMN C[C@H]1CN(Cc2nc3ccccc3o2)C[C@@H]1N1CCOCC1 ZINC000177281278 408570681 /nfs/dbraw/zinc/57/06/81/408570681.db2.gz CJPACLRVIMAQRR-ZFWWWQNUSA-N 0 1 301.390 1.980 10 0 DDAEMN CC(C)COc1cncc(N2CCN(C[C@H](C)O)C[C@H]2C)n1 ZINC000248676300 408613240 /nfs/dbraw/zinc/61/32/40/408613240.db2.gz YYNDZTLMNYJPHU-KGLIPLIRSA-N 0 1 308.426 1.403 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccsc2)CCN1C[C@@H](C)O ZINC000184820256 408696061 /nfs/dbraw/zinc/69/60/61/408696061.db2.gz IPHFPMLEOSXQQX-OCCSQVGLSA-N 0 1 311.451 1.735 10 0 DDAEMN CN(C)c1cccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000164452173 408798835 /nfs/dbraw/zinc/79/88/35/408798835.db2.gz NHLQUKSMSVFWKP-HNNXBMFYSA-N 0 1 317.437 1.527 10 0 DDAEMN CN(C)c1cccc(CNC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000164452173 408798839 /nfs/dbraw/zinc/79/88/39/408798839.db2.gz NHLQUKSMSVFWKP-HNNXBMFYSA-N 0 1 317.437 1.527 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)COCc2ccccc2)C1 ZINC000285888733 408882881 /nfs/dbraw/zinc/88/28/81/408882881.db2.gz SEOIRLUPTWBFGK-KGLIPLIRSA-N 0 1 316.361 1.310 10 0 DDAEMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CNC(=O)C1 ZINC000194874923 163299185 /nfs/dbraw/zinc/29/91/85/163299185.db2.gz KOSJFISAUSWKSF-ZDUSSCGKSA-N 0 1 319.380 1.042 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CCC(c2cc[nH]n2)CC1 ZINC000195507994 163324824 /nfs/dbraw/zinc/32/48/24/163324824.db2.gz YZSNRBSXXQRHIH-ZDUSSCGKSA-N 0 1 308.426 1.520 10 0 DDAEMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1ccc(F)c(F)c1F ZINC000262761349 163875779 /nfs/dbraw/zinc/87/57/79/163875779.db2.gz JMFGDGQHTWMTFR-JGVFFNPUSA-N 0 1 308.325 1.475 10 0 DDAEMN CCc1nc([C@H]2CN(c3cc(Cl)nc(C)n3)CCO2)n[nH]1 ZINC000131648451 196187140 /nfs/dbraw/zinc/18/71/40/196187140.db2.gz RHEYTLDNEJPVMO-SECBINFHSA-N 0 1 308.773 1.697 10 0 DDAEMN CC[C@@H]1[C@H](C)CCN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263467659 287354253 /nfs/dbraw/zinc/35/42/53/287354253.db2.gz KKSFFKUEEWBSMC-BLYZHGLHSA-N 0 1 311.426 1.754 10 0 DDAEMN O=C(COCc1ccccc1)NC1=NNC(=O)[C@@H]1c1ccccc1 ZINC000101043225 418493315 /nfs/dbraw/zinc/49/33/15/418493315.db2.gz UIVKNXJMSMTMLK-MRXNPFEDSA-N 0 1 323.352 1.547 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)CCN1C[C@H](C)O ZINC000492398390 420547539 /nfs/dbraw/zinc/54/75/39/420547539.db2.gz LXFYROKOKYXDKL-LTIZXKLPSA-N 0 1 319.405 1.104 10 0 DDAEMN CC(=O)N[C@]1(c2nc(C)cs2)CCN(CC2=CCCOC2)C1 ZINC000548018327 421389193 /nfs/dbraw/zinc/38/91/93/421389193.db2.gz KNMZVVDOGRJAKL-MRXNPFEDSA-N 0 1 321.446 1.835 10 0 DDAEMN Cc1ncccc1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617371 422202851 /nfs/dbraw/zinc/20/28/51/422202851.db2.gz BOASLRKGUJUNDJ-MRXNPFEDSA-N 0 1 301.394 1.656 10 0 DDAEMN COCCN1CCN(c2nc(C)nc3c2CCCC3)C[C@@H]1C ZINC000302048188 274031690 /nfs/dbraw/zinc/03/16/90/274031690.db2.gz MEJHUDFZTIBLEU-ZDUSSCGKSA-N 0 1 304.438 1.821 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cc(F)ccc1F ZINC000105932578 274250849 /nfs/dbraw/zinc/25/08/49/274250849.db2.gz DZEGMBPWZGOFNN-PWSUYJOCSA-N 0 1 313.348 1.212 10 0 DDAEMN CCCN(CCC)C(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177248603 276252025 /nfs/dbraw/zinc/25/20/25/276252025.db2.gz UAHADLVYCQVFEZ-HZPDHXFCSA-N 0 1 311.470 1.288 10 0 DDAEMN C[C@@H](C(=O)NC1CCCC1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246489655 278206251 /nfs/dbraw/zinc/20/62/51/278206251.db2.gz PHVMEZRKMHYUGX-IJEWVQPXSA-N 0 1 309.454 1.086 10 0 DDAEMN CC[C@@H](C(=O)OC(C)(C)C)N1CCN(CCOC)[C@H](C)C1 ZINC000192001223 280085518 /nfs/dbraw/zinc/08/55/18/280085518.db2.gz NRQXPCSOSAFLIN-KGLIPLIRSA-N 0 1 300.443 1.759 10 0 DDAEMN COCCN1CCN(Cc2ccsc2C(=O)OC)C[C@@H]1C ZINC000120449241 281118449 /nfs/dbraw/zinc/11/84/49/281118449.db2.gz LAKXULKIHDRLLP-LBPRGKRZSA-N 0 1 312.435 1.687 10 0 DDAEMN Cc1cccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1F ZINC000181287246 281251438 /nfs/dbraw/zinc/25/14/38/281251438.db2.gz VYAXENPZADADPT-QWHCGFSZSA-N 0 1 312.410 1.991 10 0 DDAEMN CC[C@@H]1CN(C(=O)CC[C@H]2CC[C@H](C)O2)CCN1CCOC ZINC000247473391 282055343 /nfs/dbraw/zinc/05/53/43/282055343.db2.gz SOEHNDVKVZHQMI-ARFHVFGLSA-N 0 1 312.454 1.903 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@@H]1O ZINC000375427673 307225712 /nfs/dbraw/zinc/22/57/12/307225712.db2.gz SBGDRRSGNKHISJ-GYSYKLTISA-N 0 1 306.410 1.165 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@@H]1O ZINC000375427673 307225713 /nfs/dbraw/zinc/22/57/13/307225713.db2.gz SBGDRRSGNKHISJ-GYSYKLTISA-N 0 1 306.410 1.165 10 0 DDAEMN O=C(c1ccc(Br)o1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404241759 307297935 /nfs/dbraw/zinc/29/79/35/307297935.db2.gz XPMJPRLFEVCHIG-IUCAKERBSA-N 0 1 315.167 1.245 10 0 DDAEMN Cc1nc(C[C@@H]2CCCN(c3ccncc3C(N)=O)C2)no1 ZINC000302205247 534411001 /nfs/dbraw/zinc/41/10/01/534411001.db2.gz CXENXUGCUOFUKQ-NSHDSACASA-N 0 1 301.350 1.331 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC000108893708 696635976 /nfs/dbraw/zinc/63/59/76/696635976.db2.gz IRUYOSUKBHHKFX-HNNXBMFYSA-N 0 1 304.390 1.135 10 0 DDAEMN COCCN1CCN(Cn2nccc2-c2cccnc2)C[C@H]1C ZINC000117323156 696670718 /nfs/dbraw/zinc/67/07/18/696670718.db2.gz OTHLZSOZUFPDTF-OAHLLOKOSA-N 0 1 315.421 1.555 10 0 DDAEMN CCCCOC(=O)[C@@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000119165215 696678154 /nfs/dbraw/zinc/67/81/54/696678154.db2.gz UFWITMVHXIZAKJ-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000174083828 697384052 /nfs/dbraw/zinc/38/40/52/697384052.db2.gz BPCKCKMNVZXZDW-JKSUJKDBSA-N 0 1 312.841 1.762 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)[C@H]1CCOC1 ZINC000175261825 697395508 /nfs/dbraw/zinc/39/55/08/697395508.db2.gz SJRBYOBASLDIHK-AXTSPUMRSA-N 0 1 309.284 1.412 10 0 DDAEMN CC(C)(C)OC(=O)N1CC(C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000182370893 697474278 /nfs/dbraw/zinc/47/42/78/697474278.db2.gz OYMJZYDPNODPGX-AWEZNQCLSA-N 0 1 323.437 1.550 10 0 DDAEMN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1nnnn1C1CC1 ZINC000191500484 697608679 /nfs/dbraw/zinc/60/86/79/697608679.db2.gz VPVRLKSIIVAAPQ-GFCCVEGCSA-N 0 1 318.400 1.930 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000262181552 698458202 /nfs/dbraw/zinc/45/82/02/698458202.db2.gz BNSZORVNLAFBDN-KCJUWKMLSA-N 0 1 306.284 1.736 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000262697592 698477791 /nfs/dbraw/zinc/47/77/91/698477791.db2.gz FHLOUAYEHMCKBC-UHFFFAOYSA-N 0 1 320.345 1.083 10 0 DDAEMN Cc1cc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)ccc1F ZINC000263510909 698511023 /nfs/dbraw/zinc/51/10/23/698511023.db2.gz NKFSQGJNIQXDNJ-AWEZNQCLSA-N 0 1 310.369 1.351 10 0 DDAEMN CCC[C@@H](Nc1nc(N)c2cc(OC)c(OC)cc2[nH+]1)C(=O)[O-] ZINC000263552146 698513231 /nfs/dbraw/zinc/51/32/31/698513231.db2.gz LQICPJRWTYFGFR-SECBINFHSA-N 0 1 320.349 1.894 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000309754625 698667549 /nfs/dbraw/zinc/66/75/49/698667549.db2.gz RGBHJRKAACIJFQ-ZNMIVQPWSA-N 0 1 318.373 1.009 10 0 DDAEMN Nc1ccc([C@H]2CCCN2C(=O)c2ccc3cncn3c2)nn1 ZINC000886097035 708697438 /nfs/dbraw/zinc/69/74/38/708697438.db2.gz JJBCKWJLVCUTEN-CQSZACIVSA-N 0 1 308.345 1.684 10 0 DDAEMN O[C@@H]1C[C@H](c2nc[nH]n2)C[C@@H]1CNc1ncc(Cl)cc1F ZINC000888078283 709210087 /nfs/dbraw/zinc/21/00/87/709210087.db2.gz GJBVWJMATHOOAR-SOCHQFKDSA-N 0 1 311.748 1.959 10 0 DDAEMN Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2cccnc2C)n[nH]1 ZINC000888093800 709211160 /nfs/dbraw/zinc/21/11/60/709211160.db2.gz TWBMNOMOQAVXBU-AAEUAGOBSA-N 0 1 301.350 1.324 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ncnc3[nH]cnc32)C1 ZINC000888102873 709214121 /nfs/dbraw/zinc/21/41/21/709214121.db2.gz RYOFXALMUOMCJK-MNOVXSKESA-N 0 1 313.365 1.659 10 0 DDAEMN CCc1cccc(OCC(=O)N2CCC[C@@H]2c2nn[nH]n2)c1 ZINC000900392596 709572820 /nfs/dbraw/zinc/57/28/20/709572820.db2.gz BKDXEVNJUMEHOT-CYBMUJFWSA-N 0 1 301.350 1.505 10 0 DDAEMN CC[C@H](O)[C@@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(COC)n1 ZINC000908251612 712720275 /nfs/dbraw/zinc/72/02/75/712720275.db2.gz IHBVYROXKRPBHF-WOPDTQHZSA-N 0 1 310.398 1.412 10 0 DDAEMN CC(=O)Nc1nnc(S(=O)(=O)NCCCCC(C)C)s1 ZINC000074600243 185001146 /nfs/dbraw/zinc/00/11/46/185001146.db2.gz UBHXNNBHHQGRMG-UHFFFAOYSA-N 0 1 320.440 1.601 10 0 DDAEMN CC[C@H]1CN([C@H](C)c2nc(COC)no2)CCN1CCOC ZINC000248456054 282084868 /nfs/dbraw/zinc/08/48/68/282084868.db2.gz LHPSLGSDFLMKCM-OLZOCXBDSA-N 0 1 312.414 1.320 10 0 DDAEMN CCCc1nc(SCc2cc(=O)n3oc(C)cc3n2)n[nH]1 ZINC000015731948 539029834 /nfs/dbraw/zinc/02/98/34/539029834.db2.gz JRZILNBCGGGXNT-UHFFFAOYSA-N 0 1 305.363 1.959 10 0 DDAEMN CCCc1n[nH]c(SCc2cc(=O)n3oc(C)cc3n2)n1 ZINC000015731948 539029837 /nfs/dbraw/zinc/02/98/37/539029837.db2.gz JRZILNBCGGGXNT-UHFFFAOYSA-N 0 1 305.363 1.959 10 0 DDAEMN NC(=O)COC[C@@H](N)c1cc(Cl)c(Br)s1 ZINC000087628122 185229595 /nfs/dbraw/zinc/22/95/95/185229595.db2.gz AFJWZIFMIPCATR-RXMQYKEDSA-N 0 1 313.604 1.666 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2C)c1S(N)(=O)=O ZINC000087891970 185234913 /nfs/dbraw/zinc/23/49/13/185234913.db2.gz AAVHACKERUMKFS-SECBINFHSA-N 0 1 314.411 1.195 10 0 DDAEMN CCCN(C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O)C(C)C ZINC000087894708 185235227 /nfs/dbraw/zinc/23/52/27/185235227.db2.gz ZQXVNYYHDAWRPL-UHFFFAOYSA-N 0 1 316.427 1.441 10 0 DDAEMN CN[C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974585 192348250 /nfs/dbraw/zinc/34/82/50/192348250.db2.gz SZHYXOQRXFRFIM-UKRRQHHQSA-N 0 1 311.403 1.240 10 0 DDAEMN Cc1cc(CS(=O)(=O)N2CCNCC23CCCCC3)no1 ZINC000088396165 185248586 /nfs/dbraw/zinc/24/85/86/185248586.db2.gz MUWVOIOMDSMXEH-UHFFFAOYSA-N 0 1 313.423 1.421 10 0 DDAEMN COc1cc(Br)c([C@H]2COC(=N)N2)cc1OC ZINC000088532388 185254816 /nfs/dbraw/zinc/25/48/16/185254816.db2.gz PCXRKRRKOUXPCH-MRVPVSSYSA-N 0 1 301.140 1.852 10 0 DDAEMN CC[C@@H]1CN(c2ncnc3onc(C)c32)CC[N@H+]1C[C@@H](C)O ZINC000193394262 539261495 /nfs/dbraw/zinc/26/14/95/539261495.db2.gz GRRXQWCSPIDJTJ-ZYHUDNBSSA-N 0 1 305.382 1.208 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000088759609 185264248 /nfs/dbraw/zinc/26/42/48/185264248.db2.gz ULGQRAGZBAHIPX-UHFFFAOYSA-N 0 1 305.281 1.907 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCO2 ZINC000081980171 192349262 /nfs/dbraw/zinc/34/92/62/192349262.db2.gz GSYLELDQBQPSKE-ZDUSSCGKSA-N 0 1 313.419 1.932 10 0 DDAEMN CNc1ccnc(CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000092419627 185317012 /nfs/dbraw/zinc/31/70/12/185317012.db2.gz XKXZAZISCWDIIJ-UHFFFAOYSA-N 0 1 303.343 1.468 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092622631 185329890 /nfs/dbraw/zinc/32/98/90/185329890.db2.gz OQORTESRJUMQKI-NSHDSACASA-N 0 1 315.414 1.513 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1CO ZINC000092678374 185333634 /nfs/dbraw/zinc/33/36/34/185333634.db2.gz JCPQCNXPLIJYBJ-CQSZACIVSA-N 0 1 312.435 1.284 10 0 DDAEMN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780452 185340036 /nfs/dbraw/zinc/34/00/36/185340036.db2.gz FCVXIYBGRMXADC-ZDUSSCGKSA-N 0 1 304.781 1.736 10 0 DDAEMN CCN[C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCOC ZINC000092859217 185346934 /nfs/dbraw/zinc/34/69/34/185346934.db2.gz QEKNNXFHOHTUGD-CABCVRRESA-N 0 1 313.419 1.332 10 0 DDAEMN CCN[C@@H](C[S@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035806 192396828 /nfs/dbraw/zinc/39/68/28/192396828.db2.gz DSMFIHBNOUSVDU-QKKBWIMNSA-N 0 1 315.435 1.750 10 0 DDAEMN CCOC(=O)N1CCN(Cc2nc3ccc(OC)cc3[nH]2)CC1 ZINC000071675464 191005577 /nfs/dbraw/zinc/00/55/77/191005577.db2.gz ANYLFJFUPWEHQW-UHFFFAOYSA-N 0 1 318.377 1.846 10 0 DDAEMN COCCN1CCN(CCOc2cccc(OC)c2)C[C@H]1C ZINC000152608365 186089476 /nfs/dbraw/zinc/08/94/76/186089476.db2.gz FQWPNENJXCLGHZ-OAHLLOKOSA-N 0 1 308.422 1.727 10 0 DDAEMN COCCO[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000187990148 186240731 /nfs/dbraw/zinc/24/07/31/186240731.db2.gz PAGWTXNCGRYDBP-IRXDYDNUSA-N 0 1 320.433 1.423 10 0 DDAEMN Cc1cc(C)nc(N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)n1 ZINC000072388628 191147756 /nfs/dbraw/zinc/14/77/56/191147756.db2.gz ODCLVBLHMGNVDB-ZDUSSCGKSA-N 0 1 314.393 1.860 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccc(Cl)n3)CCO2)n[nH]1 ZINC000173607993 198231951 /nfs/dbraw/zinc/23/19/51/198231951.db2.gz DVGADEINZUXGOS-SNVBAGLBSA-N 0 1 321.768 1.629 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cccnc3Cl)CCO2)n[nH]1 ZINC000173685822 198240603 /nfs/dbraw/zinc/24/06/03/198240603.db2.gz KLYYCZLOBNCRRY-NSHDSACASA-N 0 1 307.785 1.989 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH]1 ZINC000174408437 198331553 /nfs/dbraw/zinc/33/15/53/198331553.db2.gz UYZFOGNFBDKDQW-ZJUUUORDSA-N 0 1 309.370 1.745 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2C)CCN1C[C@@H](C)O ZINC000174591067 198356577 /nfs/dbraw/zinc/35/65/77/198356577.db2.gz PJYJZPZQCLKZKO-NVXWUHKLSA-N 0 1 304.434 1.841 10 0 DDAEMN COCCN1CCN(Cc2ccc(C(=O)OC)cc2F)C[C@H]1C ZINC000135420138 354115456 /nfs/dbraw/zinc/11/54/56/354115456.db2.gz HAIPLZAXRWSLBN-CYBMUJFWSA-N 0 1 324.396 1.765 10 0 DDAEMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000592101896 355498662 /nfs/dbraw/zinc/49/86/62/355498662.db2.gz UNMFVXAPHXFOMI-DJLDLDEBSA-N 0 1 316.404 1.397 10 0 DDAEMN CCCN(CC)S(=O)(=O)c1n[nH]c(C)c1CNC1CC1 ZINC000088944646 192664528 /nfs/dbraw/zinc/66/45/28/192664528.db2.gz ADVHCYCPWSAFPT-UHFFFAOYSA-N 0 1 300.428 1.391 10 0 DDAEMN CC(C)C[C@H](N[C@@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179808002 199083768 /nfs/dbraw/zinc/08/37/68/199083768.db2.gz VNOKRKKWIMDBEN-MXWKQRLJSA-N 0 1 306.370 1.709 10 0 DDAEMN CO[C@@]1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCOC1 ZINC000276636759 213015553 /nfs/dbraw/zinc/01/55/53/213015553.db2.gz VQHGBIAQNJHABM-AEFFLSMTSA-N 0 1 318.417 1.573 10 0 DDAEMN Cc1ncccc1NS(=O)(=O)c1ccccc1C(N)=S ZINC000091497225 193064549 /nfs/dbraw/zinc/06/45/49/193064549.db2.gz WLTRGMGVWNCVES-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN CCn1nc(C)c(Cl)c1CC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091689247 193090934 /nfs/dbraw/zinc/09/09/34/193090934.db2.gz LUUQMNKOFYETMY-BXUZGUMPSA-N 0 1 311.813 1.840 10 0 DDAEMN CCN[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncccn1 ZINC000093700048 193294222 /nfs/dbraw/zinc/29/42/22/193294222.db2.gz YLJMLQPMYXCATK-QWHCGFSZSA-N 0 1 312.439 1.189 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N[C@H](C)CN2CCCC2)c1 ZINC000094358536 193364086 /nfs/dbraw/zinc/36/40/86/193364086.db2.gz NJWAAWQYWPIAMA-GFCCVEGCSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)NCCN1CCCCC1 ZINC000094360311 193364858 /nfs/dbraw/zinc/36/48/58/193364858.db2.gz AVWJDLAYUKRZNN-UHFFFAOYSA-N 0 1 315.414 1.481 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094227730 193352311 /nfs/dbraw/zinc/35/23/11/193352311.db2.gz JTUYDXJIORKZNX-KCJUWKMLSA-N 0 1 311.304 1.128 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000094638213 193386676 /nfs/dbraw/zinc/38/66/76/193386676.db2.gz DFMMQIVSTMWGIZ-YNEHKIRRSA-N 0 1 303.424 1.671 10 0 DDAEMN Cc1cc(C(=O)N2CCC[N@H+](C)CC2)sc1/C=C/C(=O)[O-] ZINC000094537444 193377851 /nfs/dbraw/zinc/37/78/51/193377851.db2.gz NZSNTHLLZSZRCR-SNAWJCMRSA-N 0 1 308.403 1.932 10 0 DDAEMN CCCNS(=O)(=O)c1ccccc1N[C@@H]1CCCN(C)C1 ZINC000040673417 183116573 /nfs/dbraw/zinc/11/65/73/183116573.db2.gz JZDWCKDHHDPKKO-CYBMUJFWSA-N 0 1 311.451 1.881 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2cc(Cl)ccc2F)cn1 ZINC000041071263 183162832 /nfs/dbraw/zinc/16/28/32/183162832.db2.gz IXOSQDLZGXWSCQ-UHFFFAOYSA-N 0 1 317.733 1.356 10 0 DDAEMN COCCN([C@H](C)C1CC1)S(=O)(=O)c1ccc(CN)s1 ZINC000042689777 183296536 /nfs/dbraw/zinc/29/65/36/183296536.db2.gz XZLYOWPXUIEAQR-SNVBAGLBSA-N 0 1 318.464 1.642 10 0 DDAEMN C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccnc(NN)c1 ZINC000042782266 183308248 /nfs/dbraw/zinc/30/82/48/183308248.db2.gz NKZOZNUIJIQTDK-SECBINFHSA-N 0 1 324.431 1.737 10 0 DDAEMN CCOC(=O)[C@H](c1ccc([O-])c(Cl)c1)N1CCC[NH2+]CC1 ZINC000043489446 183366818 /nfs/dbraw/zinc/36/68/18/183366818.db2.gz RCHLPJYFJHMNHF-AWEZNQCLSA-N 0 1 312.797 1.945 10 0 DDAEMN O=C([C@@H]1CNCCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000043709853 183383071 /nfs/dbraw/zinc/38/30/71/183383071.db2.gz ZHJIFAFMUGYHHA-LBPRGKRZSA-N 0 1 302.296 1.566 10 0 DDAEMN CC(C)n1cc([C@]2(O)CCCN(Cc3ccnc(N)c3)C2)nn1 ZINC000284612191 218099719 /nfs/dbraw/zinc/09/97/19/218099719.db2.gz LTNCKXQNQKMYKG-INIZCTEOSA-N 0 1 316.409 1.320 10 0 DDAEMN O=C(NCCCOCC(F)(F)F)N1CCN2CCCC[C@@H]2C1 ZINC000105128757 194077491 /nfs/dbraw/zinc/07/74/91/194077491.db2.gz UMMHQGKTUHEHAI-GFCCVEGCSA-N 0 1 323.359 1.835 10 0 DDAEMN CC[C@H]1CN(CC(=O)NCCC(C)(C)C)CCN1C[C@@H](C)O ZINC000105827477 194138816 /nfs/dbraw/zinc/13/88/16/194138816.db2.gz IGURRSQUWQELKQ-CABCVRRESA-N 0 1 313.486 1.316 10 0 DDAEMN CCc1cc(C(=O)N2CCCN(c3cccnn3)CC2)n[nH]1 ZINC000105810936 194135015 /nfs/dbraw/zinc/13/50/15/194135015.db2.gz LQUAOMSDWJRTPX-UHFFFAOYSA-N 0 1 300.366 1.115 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000048983204 183700789 /nfs/dbraw/zinc/70/07/89/183700789.db2.gz INUFBRLJFAFUQN-SFYZADRCSA-N 0 1 301.749 1.974 10 0 DDAEMN COC[C@H]1CN(C(=O)c2cccc3n[nH]cc32)CC(C)(C)O1 ZINC000285249730 218350712 /nfs/dbraw/zinc/35/07/12/218350712.db2.gz YYPIERWEPWKKCO-LLVKDONJSA-N 0 1 303.362 1.829 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000109468599 194266618 /nfs/dbraw/zinc/26/66/18/194266618.db2.gz PPMFPTMKKUEOJH-LBPRGKRZSA-N 0 1 303.435 1.127 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)Oc2ccccc2)CC1 ZINC000109466643 194267073 /nfs/dbraw/zinc/26/70/73/194267073.db2.gz VYPCSYJPSZOFKW-UHFFFAOYSA-N 0 1 307.419 1.868 10 0 DDAEMN CC[N@@H+]1CCN(c2nnc(SCC(=O)[O-])s2)C[C@@H]1C ZINC000110736667 194354832 /nfs/dbraw/zinc/35/48/32/194354832.db2.gz IFXZCZRBNCGJFV-QMMMGPOBSA-N 0 1 302.425 1.245 10 0 DDAEMN CC[N@H+]1CCN(c2nnc(SCC(=O)[O-])s2)C[C@@H]1C ZINC000110736667 194354834 /nfs/dbraw/zinc/35/48/34/194354834.db2.gz IFXZCZRBNCGJFV-QMMMGPOBSA-N 0 1 302.425 1.245 10 0 DDAEMN C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C(C)(C)C(=O)[O-] ZINC000061172552 184164418 /nfs/dbraw/zinc/16/44/18/184164418.db2.gz QJBBRLXVMSPPDK-UHFFFAOYSA-N 0 1 304.268 1.837 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1c(F)cc(N)cc1F ZINC000061642650 184180337 /nfs/dbraw/zinc/18/03/37/184180337.db2.gz MGLUIEIZCZKLNP-SNVBAGLBSA-N 0 1 319.377 1.262 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000063052633 184268494 /nfs/dbraw/zinc/26/84/94/184268494.db2.gz KPLLWKXLJQKUFL-UHFFFAOYSA-N 0 1 303.815 1.451 10 0 DDAEMN Cc1nc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)sc1C ZINC000112548539 194483736 /nfs/dbraw/zinc/48/37/36/194483736.db2.gz MOQNJCASNZSRHT-ZYHUDNBSSA-N 0 1 312.439 1.007 10 0 DDAEMN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](CN(C)C)C2)c1C ZINC000155291417 197040149 /nfs/dbraw/zinc/04/01/49/197040149.db2.gz JJELJWJDQPMNRC-CQSZACIVSA-N 0 1 321.421 1.279 10 0 DDAEMN C[N@H+]1C[C@H]2CN(C(=O)c3ccncc3F)CCC[C@@]2(C(=O)[O-])C1 ZINC000248092866 257109708 /nfs/dbraw/zinc/10/97/08/257109708.db2.gz WDZXGZOCVXPHIQ-MEDUHNTESA-N 0 1 321.352 1.089 10 0 DDAEMN CCOCCN1CCN(C(=O)Nc2cnn(C)c2)C[C@@H]1CC ZINC000121826476 195356322 /nfs/dbraw/zinc/35/63/22/195356322.db2.gz TXKZYDGQJSQKSE-AWEZNQCLSA-N 0 1 309.414 1.385 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCn2ccnc2C1 ZINC000261633899 407560114 /nfs/dbraw/zinc/56/01/14/407560114.db2.gz CGVUFFJESGFPOU-AWEZNQCLSA-N 0 1 309.373 1.277 10 0 DDAEMN CN(CC(=O)NC1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802891 407355947 /nfs/dbraw/zinc/35/59/47/407355947.db2.gz MTGOZRYOAQWLSV-OAHLLOKOSA-N 0 1 317.437 1.436 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)[nH]1 ZINC000103253661 407334642 /nfs/dbraw/zinc/33/46/42/407334642.db2.gz COMLMDSGWOZTHV-ZDUSSCGKSA-N 0 1 315.377 1.815 10 0 DDAEMN Cc1n[nH]c(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)n1 ZINC000103253661 407334643 /nfs/dbraw/zinc/33/46/43/407334643.db2.gz COMLMDSGWOZTHV-ZDUSSCGKSA-N 0 1 315.377 1.815 10 0 DDAEMN CC(=O)NC1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000106913278 407366208 /nfs/dbraw/zinc/36/62/08/407366208.db2.gz AURQFLZCURXNAD-QGZVFWFLSA-N 0 1 317.433 1.286 10 0 DDAEMN CC(=O)NC1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000106913279 407366716 /nfs/dbraw/zinc/36/67/16/407366716.db2.gz AURQFLZCURXNAD-KRWDZBQOSA-N 0 1 317.433 1.286 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ccc(F)nc2)CCN1CCOC ZINC000126443328 407413547 /nfs/dbraw/zinc/41/35/47/407413547.db2.gz JOKZGKJJONGZEK-CYBMUJFWSA-N 0 1 310.373 1.795 10 0 DDAEMN O=C(NC1CC1)[C@H]1CCCN1C[C@H](O)COCc1ccccc1 ZINC000113505241 407509389 /nfs/dbraw/zinc/50/93/89/407509389.db2.gz GBFLDBXVJRBJQI-DLBZAZTESA-N 0 1 318.417 1.307 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000113367284 407496572 /nfs/dbraw/zinc/49/65/72/407496572.db2.gz UYVNBUUDKYVUGD-VXGBXAGGSA-N 0 1 312.373 1.232 10 0 DDAEMN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113367284 407496575 /nfs/dbraw/zinc/49/65/75/407496575.db2.gz UYVNBUUDKYVUGD-VXGBXAGGSA-N 0 1 312.373 1.232 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113367284 407496581 /nfs/dbraw/zinc/49/65/81/407496581.db2.gz UYVNBUUDKYVUGD-VXGBXAGGSA-N 0 1 312.373 1.232 10 0 DDAEMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccon1)c1ccccc1 ZINC000185520393 407446967 /nfs/dbraw/zinc/44/69/67/407446967.db2.gz NMVHGDFMXNEQOT-LBPRGKRZSA-N 0 1 302.334 1.032 10 0 DDAEMN Cc1cccc(NC[C@H]2CCN(c3ncnc4nc[nH]c43)C2)n1 ZINC000171365404 407669806 /nfs/dbraw/zinc/66/98/06/407669806.db2.gz QACXNPNMFCUPKX-GFCCVEGCSA-N 0 1 309.377 1.995 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000262065945 407728561 /nfs/dbraw/zinc/72/85/61/407728561.db2.gz JAZYEMQPWJDMCB-VIFPVBQESA-N 0 1 306.284 1.848 10 0 DDAEMN COC[C@@H](N)C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000262192481 407764283 /nfs/dbraw/zinc/76/42/83/407764283.db2.gz CJFRYJUMAOIBPG-DLBZAZTESA-N 0 1 320.433 1.519 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2cnn(C)c2)C[C@@H]1CC ZINC000116771281 407773895 /nfs/dbraw/zinc/77/38/95/407773895.db2.gz WRMGUFSCXMGPGT-INIZCTEOSA-N 0 1 322.453 1.312 10 0 DDAEMN CN1CCO[C@@H]2CN(c3nn4cc(C(C)(C)C)nc4s3)C[C@@H]21 ZINC000153160436 407767567 /nfs/dbraw/zinc/76/75/67/407767567.db2.gz JCQLQUBCIIRKBS-WDEREUQCSA-N 0 1 321.450 1.608 10 0 DDAEMN CCOc1ccc(CCNC(=O)[C@H](N)COC)cc1OCC ZINC000262353707 407808895 /nfs/dbraw/zinc/80/88/95/407808895.db2.gz VPONUDCCZQFMQP-CYBMUJFWSA-N 0 1 310.394 1.116 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000262379058 407817293 /nfs/dbraw/zinc/81/72/93/407817293.db2.gz XPDKBXMHQSKDDV-CYBMUJFWSA-N 0 1 305.403 1.443 10 0 DDAEMN COC[C@H](N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C1CC1 ZINC000179814363 407833813 /nfs/dbraw/zinc/83/38/13/407833813.db2.gz HJHAJVBLINIILR-NEPJUHHUSA-N 0 1 320.397 1.957 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1CCOC ZINC000117425745 407835221 /nfs/dbraw/zinc/83/52/21/407835221.db2.gz ADICMSQRRLMVMT-MRXNPFEDSA-N 0 1 319.449 1.935 10 0 DDAEMN Cc1ccncc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262737115 407912772 /nfs/dbraw/zinc/91/27/72/407912772.db2.gz VPGFWCLXGGKBKT-UHFFFAOYSA-N 0 1 317.389 1.447 10 0 DDAEMN Cc1ccc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cn1 ZINC000262681039 407897276 /nfs/dbraw/zinc/89/72/76/407897276.db2.gz AQCKEUBQZWAGOI-UHFFFAOYSA-N 0 1 317.389 1.447 10 0 DDAEMN CC[C@@H]1CN(Cc2nnc(C3CCC3)n2C)CCN1CCOC ZINC000181279463 407974588 /nfs/dbraw/zinc/97/45/88/407974588.db2.gz ZGMDYCYFCKKQBE-OAHLLOKOSA-N 0 1 321.469 1.625 10 0 DDAEMN C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262956153 407983511 /nfs/dbraw/zinc/98/35/11/407983511.db2.gz KFVFOQKGAZSXFR-HBNTYKKESA-N 0 1 322.327 1.582 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000174095275 407914632 /nfs/dbraw/zinc/91/46/32/407914632.db2.gz NFGCIAZXJSZFTR-CZUORRHYSA-N 0 1 314.376 1.387 10 0 DDAEMN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000262759129 407920018 /nfs/dbraw/zinc/92/00/18/407920018.db2.gz IWPOFWUTVJOBRU-APPZFPTMSA-N 0 1 308.325 1.380 10 0 DDAEMN CCCCSCCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174322751 407932958 /nfs/dbraw/zinc/93/29/58/407932958.db2.gz KWPRSUXAZZUKRM-ZIAGYGMSSA-N 0 1 302.484 1.823 10 0 DDAEMN Cc1nnc(SCC(=O)N2CCC(Cn3cccn3)CC2)[nH]1 ZINC000175069361 408042519 /nfs/dbraw/zinc/04/25/19/408042519.db2.gz IVBMJKRTDRRPJB-UHFFFAOYSA-N 0 1 320.422 1.341 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CCC(Cn3cccn3)CC2)n1 ZINC000175069361 408042525 /nfs/dbraw/zinc/04/25/25/408042525.db2.gz IVBMJKRTDRRPJB-UHFFFAOYSA-N 0 1 320.422 1.341 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1CC1(CN2[C@H](C)COC[C@@H]2C)COC1 ZINC000119437570 408069354 /nfs/dbraw/zinc/06/93/54/408069354.db2.gz MRUPNRPTZKZAQC-FPCVCCKLSA-N 0 1 312.454 1.221 10 0 DDAEMN CC(C)N1CC[C@@H](N2CCC(Nc3cccnn3)CC2)C1=O ZINC000175186691 408069865 /nfs/dbraw/zinc/06/98/65/408069865.db2.gz OQFFXDXYUHLAAA-CQSZACIVSA-N 0 1 303.410 1.362 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)CCN1CCOC ZINC000245852923 408079753 /nfs/dbraw/zinc/07/97/53/408079753.db2.gz BUBHEAMQWPRDBH-GDBMZVCRSA-N 0 1 312.454 1.618 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCC[C@@H](n2cncn2)C1 ZINC000119532174 408088918 /nfs/dbraw/zinc/08/89/18/408088918.db2.gz YGIDTBOASPDVKI-CYBMUJFWSA-N 0 1 302.426 1.974 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)CCN1C[C@@H](C)O ZINC000246113262 408144073 /nfs/dbraw/zinc/14/40/73/408144073.db2.gz QETSXMYQTXZUIO-MCIONIFRSA-N 0 1 320.437 1.133 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NOCc3ccccc3)CCO2)n[nH]1 ZINC000175501703 408146659 /nfs/dbraw/zinc/14/66/59/408146659.db2.gz JZYZXGCNEULZDR-ZDUSSCGKSA-N 0 1 317.349 1.328 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC000246379335 408238893 /nfs/dbraw/zinc/23/88/93/408238893.db2.gz IBCKCRVWMABQTJ-YYIAUSFCSA-N 0 1 323.481 1.143 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246495745 408273674 /nfs/dbraw/zinc/27/36/74/408273674.db2.gz PPBDNCDXCHCOTB-IJEWVQPXSA-N 0 1 311.470 1.332 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc2c1CCCC2 ZINC000176285894 408331883 /nfs/dbraw/zinc/33/18/83/408331883.db2.gz HNTKCVPJFWKKOE-LBPRGKRZSA-N 0 1 300.366 1.453 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n[nH]1 ZINC000136434976 162119232 /nfs/dbraw/zinc/11/92/32/162119232.db2.gz PLVVKJMNWHWBDF-NSHDSACASA-N 0 1 314.336 1.839 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)C[C@H]1C ZINC000246939711 408371511 /nfs/dbraw/zinc/37/15/11/408371511.db2.gz ZXSARSDFZJAEMI-KGLIPLIRSA-N 0 1 315.417 1.705 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000173352998 162334568 /nfs/dbraw/zinc/33/45/68/162334568.db2.gz XZUXDJWJCUCOCK-FZMZJTMJSA-N 0 1 315.377 1.514 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(F)cc(F)c3)CCO2)n[nH]1 ZINC000173523778 162345800 /nfs/dbraw/zinc/34/58/00/162345800.db2.gz SLTPNJKQLTWOCN-LBPRGKRZSA-N 0 1 308.288 1.605 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n[nH]1 ZINC000173533949 162347303 /nfs/dbraw/zinc/34/73/03/162347303.db2.gz DTOKSVLZGRJQMR-AWEZNQCLSA-N 0 1 311.345 1.808 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cn4cc(C)ccc4n3)CCO2)n[nH]1 ZINC000173760162 162361811 /nfs/dbraw/zinc/36/18/11/162361811.db2.gz CMHYGJOYYPTMCN-AWEZNQCLSA-N 0 1 312.377 1.643 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CCN1C[C@H](C)O ZINC000247057038 408397107 /nfs/dbraw/zinc/39/71/07/408397107.db2.gz YVRKTHGPTUIIDP-NHYWBVRUSA-N 0 1 312.360 1.882 10 0 DDAEMN C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1nn[nH]n1 ZINC000183429891 408411696 /nfs/dbraw/zinc/41/16/96/408411696.db2.gz MANGGUANISGKLY-FBIMIBRVSA-N 0 1 321.331 1.844 10 0 DDAEMN O[C@H](CN1CCC[C@@H](n2cncn2)C1)c1c(F)cccc1F ZINC000247120980 408412506 /nfs/dbraw/zinc/41/25/06/408412506.db2.gz JRUUZSJBNDJPCZ-BXUZGUMPSA-N 0 1 308.332 1.927 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@]1(O)CCSC1 ZINC000176727671 408425088 /nfs/dbraw/zinc/42/50/88/408425088.db2.gz BXAZNHXMOHOWQJ-GDBMZVCRSA-N 0 1 308.447 1.144 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cc(F)ccc1Br ZINC000159777743 408432371 /nfs/dbraw/zinc/43/23/71/408432371.db2.gz VAJTYOGLIHVWKX-SNVBAGLBSA-N 0 1 305.147 1.178 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247572802 408493073 /nfs/dbraw/zinc/49/30/73/408493073.db2.gz WZDLEISTDHPEKR-ZIAGYGMSSA-N 0 1 308.426 1.141 10 0 DDAEMN CC[C@@H]1CN(c2nc(CCOC)ns2)CCN1C[C@@H](C)O ZINC000176921907 408475399 /nfs/dbraw/zinc/47/53/99/408475399.db2.gz GPWFYKLUQMIEBP-VXGBXAGGSA-N 0 1 314.455 1.008 10 0 DDAEMN C[C@@H]1CN(Cc2nc3ccccc3o2)C[C@@H]1N1CCOCC1 ZINC000177281264 408570936 /nfs/dbraw/zinc/57/09/36/408570936.db2.gz CJPACLRVIMAQRR-HIFRSBDPSA-N 0 1 301.390 1.980 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)CN1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000177769995 408708821 /nfs/dbraw/zinc/70/88/21/408708821.db2.gz YDWHVCKGLDZGHX-WMLDXEAASA-N 0 1 305.466 1.946 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000177753166 408700808 /nfs/dbraw/zinc/70/08/08/408700808.db2.gz FWJIDXYBZMMFLN-BRWVUGGUSA-N 0 1 321.465 1.327 10 0 DDAEMN C[C@H]1OCCC[C@@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000188796007 163070660 /nfs/dbraw/zinc/07/06/60/163070660.db2.gz ZOZOQKASNCKAKI-ZBFHGGJFSA-N 0 1 310.438 1.372 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000262335155 163809229 /nfs/dbraw/zinc/80/92/29/163809229.db2.gz SBCDRYGFFUXSGP-JIMOISOXSA-N 0 1 300.786 1.506 10 0 DDAEMN CCc1cc(NC[C@H](c2cnn(C)c2)N(C)C)n2ncnc2n1 ZINC000301268053 410687814 /nfs/dbraw/zinc/68/78/14/410687814.db2.gz FYVBELQTRBVJRU-CYBMUJFWSA-N 0 1 314.397 1.135 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cnn(C(C)(C)C)c3)CCO2)n[nH]1 ZINC000129234456 196030917 /nfs/dbraw/zinc/03/09/17/196030917.db2.gz HECCFBOBQCLCHV-CYBMUJFWSA-N 0 1 318.425 1.892 10 0 DDAEMN C/C(=C/c1ccccc1)CN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000628376164 422154926 /nfs/dbraw/zinc/15/49/26/422154926.db2.gz IFTRSYMWKSGZQF-BUSCQBHZSA-N 0 1 313.401 1.948 10 0 DDAEMN COc1cc(C(=O)N2CCC[C@](O)(c3c[nH]nn3)C2)ccc1F ZINC000583617740 422202112 /nfs/dbraw/zinc/20/21/12/422202112.db2.gz LMGNPMWMFLNCDC-OAHLLOKOSA-N 0 1 320.324 1.076 10 0 DDAEMN CN1C[C@@H](Nc2ncnc3[nH]cnc32)CC[C@@H]1C(F)(F)F ZINC000583616756 422203542 /nfs/dbraw/zinc/20/35/42/422203542.db2.gz NQGDENSEFKYDEA-JGVFFNPUSA-N 0 1 300.288 1.790 10 0 DDAEMN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000660908178 424804413 /nfs/dbraw/zinc/80/44/13/424804413.db2.gz KKNAFCGRPFSKIW-ZRUFSTJUSA-N 0 1 315.357 1.509 10 0 DDAEMN COCCN1CCN(c2nc(C)nc3c2CCCC3)C[C@H]1C ZINC000302048186 274031775 /nfs/dbraw/zinc/03/17/75/274031775.db2.gz MEJHUDFZTIBLEU-CYBMUJFWSA-N 0 1 304.438 1.821 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CC(C)C)CC1 ZINC000083742838 274853259 /nfs/dbraw/zinc/85/32/59/274853259.db2.gz XQPLBKDUXXHFBS-AWEZNQCLSA-N 0 1 320.441 1.405 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)[nH]1 ZINC000129366569 279098877 /nfs/dbraw/zinc/09/88/77/279098877.db2.gz YFZOYNIDJCCLOI-YPMHNXCESA-N 0 1 317.324 1.410 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000173270175 280357189 /nfs/dbraw/zinc/35/71/89/280357189.db2.gz XTOOKNQAGIQRSG-NVXWUHKLSA-N 0 1 319.449 1.982 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000118858850 281086581 /nfs/dbraw/zinc/08/65/81/281086581.db2.gz UHABTLHZQUVLEO-HNNXBMFYSA-N 0 1 314.433 1.827 10 0 DDAEMN COCCN1CCN(Cc2ccsc2C(=O)OC)C[C@H]1C ZINC000120449074 281118438 /nfs/dbraw/zinc/11/84/38/281118438.db2.gz LAKXULKIHDRLLP-GFCCVEGCSA-N 0 1 312.435 1.687 10 0 DDAEMN CC[C@@](C)(NC[C@@H](O)CN1CCCC1=O)c1nc(C)cs1 ZINC000126745059 281251168 /nfs/dbraw/zinc/25/11/68/281251168.db2.gz BAOKMKUIEGOWQX-IUODEOHRSA-N 0 1 311.451 1.650 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2cccc(F)c2)C[C@@H]1C ZINC000246646739 282004153 /nfs/dbraw/zinc/00/41/53/282004153.db2.gz GCBOBXQJSVLVSL-AGKLADILSA-N 0 1 306.381 1.752 10 0 DDAEMN C[C@H](CS(C)(=O)=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000081901507 298870993 /nfs/dbraw/zinc/87/09/93/298870993.db2.gz PGXVDLLEGGHQRT-MNOVXSKESA-N 0 1 319.448 1.174 10 0 DDAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCc2ccccc2[C@H]1CO ZINC000376061227 302033351 /nfs/dbraw/zinc/03/33/51/302033351.db2.gz FXVQXOGGGBWXGL-BLLLJJGKSA-N 0 1 312.373 1.028 10 0 DDAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCc2ccccc2[C@H]1CO ZINC000376061227 302033354 /nfs/dbraw/zinc/03/33/54/302033354.db2.gz FXVQXOGGGBWXGL-BLLLJJGKSA-N 0 1 312.373 1.028 10 0 DDAEMN C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccccc1O ZINC000251727082 484247467 /nfs/dbraw/zinc/24/74/67/484247467.db2.gz KDYYBBWAHCGNDO-OLZOCXBDSA-N 0 1 310.419 1.640 10 0 DDAEMN COC[C@@H](N)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000262289942 698463294 /nfs/dbraw/zinc/46/32/94/698463294.db2.gz MXPQQCUMSUNANF-LLVKDONJSA-N 0 1 306.284 1.174 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ncc(F)cc2F)C1 ZINC000263429711 698506345 /nfs/dbraw/zinc/50/63/45/698506345.db2.gz NBYYOGGPOODDAB-UHFFFAOYSA-N 0 1 313.304 1.027 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000263471739 698508920 /nfs/dbraw/zinc/50/89/20/698508920.db2.gz DROCJTDWVDYOPQ-GVDBMIGSSA-N 0 1 318.417 1.507 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000707406802 699246734 /nfs/dbraw/zinc/24/67/34/699246734.db2.gz USWJMEPEFLDMRT-LLVKDONJSA-N 0 1 300.424 1.185 10 0 DDAEMN COCc1nc(CN[C@H]2CCCN3CCSC[C@H]23)cs1 ZINC000720458967 699306214 /nfs/dbraw/zinc/30/62/14/699306214.db2.gz MUUDBGPLKQOUKA-QWHCGFSZSA-N 0 1 313.492 1.959 10 0 DDAEMN O=C(N[C@H]1CCOc2ccccc21)C1CN([C@H]2CCOC2)C1 ZINC000895484015 711524140 /nfs/dbraw/zinc/52/41/40/711524140.db2.gz WEKWHAQIWKXSPJ-ZFWWWQNUSA-N 0 1 302.374 1.347 10 0 DDAEMN NC(=O)c1ccccc1NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000074629977 185004294 /nfs/dbraw/zinc/00/42/94/185004294.db2.gz FNJXFEDDYHHWQN-UHFFFAOYSA-N 0 1 307.313 1.823 10 0 DDAEMN Cc1cc2ncc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902683 192337169 /nfs/dbraw/zinc/33/71/69/192337169.db2.gz RVQJDVLWRJAHMF-WDEREUQCSA-N 0 1 310.423 1.430 10 0 DDAEMN CCn1cnnc1[C@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328633850 231268696 /nfs/dbraw/zinc/26/86/96/231268696.db2.gz BDWIXXQYTXPKCP-JSGCOSHPSA-N 0 1 303.410 1.241 10 0 DDAEMN CC(=O)Nc1cccc(NS(=O)(=O)c2cccnc2N)c1 ZINC000088070472 185238748 /nfs/dbraw/zinc/23/87/48/185238748.db2.gz OXSIQPFJGMMVNM-UHFFFAOYSA-N 0 1 306.347 1.423 10 0 DDAEMN NN=c1cc(NCc2ccc(Br)cc2)[nH]c(N)n1 ZINC000087884672 185234345 /nfs/dbraw/zinc/23/43/45/185234345.db2.gz ZSDZFJPTURUGFR-UHFFFAOYSA-N 0 1 309.171 1.719 10 0 DDAEMN CCN([C@H](C)COC)S(=O)(=O)c1ccc(CNC(C)C)o1 ZINC000088544097 185256745 /nfs/dbraw/zinc/25/67/45/185256745.db2.gz WFMHSVZFIWHTHI-GFCCVEGCSA-N 0 1 318.439 1.823 10 0 DDAEMN CNc1ncc(Br)cc1C(=O)NCc1cnc[nH]1 ZINC000088752853 185263866 /nfs/dbraw/zinc/26/38/66/185263866.db2.gz XHAMMDSAKZFBBK-UHFFFAOYSA-N 0 1 310.155 1.539 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000088893265 185269824 /nfs/dbraw/zinc/26/98/24/185269824.db2.gz YDGCUOHHALVAQP-UHFFFAOYSA-N 0 1 303.428 1.704 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000088893627 185269956 /nfs/dbraw/zinc/26/99/56/185269956.db2.gz PSNHHMAYOZOLDG-RYUDHWBXSA-N 0 1 307.375 1.045 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(N)cc1F ZINC000092622659 185330122 /nfs/dbraw/zinc/33/01/22/185330122.db2.gz JIWFIPSRANONKW-LBPRGKRZSA-N 0 1 315.414 1.513 10 0 DDAEMN CCOC(=O)N1CCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC000071675423 191005178 /nfs/dbraw/zinc/00/51/78/191005178.db2.gz NCCGTJABDFPGBY-UHFFFAOYSA-N 0 1 306.341 1.976 10 0 DDAEMN CCOc1ccc2nc(CN3CCN(C(C)=O)CC3)[nH]c2c1 ZINC000071675479 191005349 /nfs/dbraw/zinc/00/53/49/191005349.db2.gz ZUVCZZZMEZDYGG-UHFFFAOYSA-N 0 1 302.378 1.626 10 0 DDAEMN CCc1cc(Br)ccc1NC(=O)[C@H](N)COC ZINC000148161603 186043150 /nfs/dbraw/zinc/04/31/50/186043150.db2.gz XLVVXOBVGOCDBO-SNVBAGLBSA-N 0 1 301.184 1.924 10 0 DDAEMN Cc1ccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c(C)c1 ZINC000262894936 186320171 /nfs/dbraw/zinc/32/01/71/186320171.db2.gz HJAXHJHBGIYWJK-CQSZACIVSA-N 0 1 320.389 1.161 10 0 DDAEMN O[C@H]1COCC[C@@H]1NCc1ccc(Br)c(F)c1F ZINC000623768051 366047579 /nfs/dbraw/zinc/04/75/79/366047579.db2.gz IXJUEDBWCYAGFD-UWVGGRQHSA-N 0 1 322.149 1.967 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1CCOCCOc1ccccc1 ZINC000051591368 352590101 /nfs/dbraw/zinc/59/01/01/352590101.db2.gz USPKDWRMZXUZPB-MRXNPFEDSA-N 0 1 306.406 1.635 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3cccc(O)c3)CCO2)n[nH]1 ZINC000173756257 198248227 /nfs/dbraw/zinc/24/82/27/198248227.db2.gz YMEWBXUHJPSUKZ-CYBMUJFWSA-N 0 1 316.361 1.215 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000174004549 198279160 /nfs/dbraw/zinc/27/91/60/198279160.db2.gz IPTSSWGEQYYRIS-WFASDCNBSA-N 0 1 312.435 1.702 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174070866 198288504 /nfs/dbraw/zinc/28/85/04/198288504.db2.gz FCRNKLXNDUXVPJ-HZPDHXFCSA-N 0 1 312.841 1.762 10 0 DDAEMN O=C1CCc2c1c(=O)oc1c3c(cc(O)c21)O[C@@H]1OCC[C@H]31 ZINC000097973718 353921160 /nfs/dbraw/zinc/92/11/60/353921160.db2.gz XJKCZCKWXTXPRZ-QZTNRIJFSA-N 0 1 300.266 1.850 10 0 DDAEMN CCc1ccc([C@@H](C)NCC(=O)N[C@H](C)C(=O)N(C)C)cc1 ZINC000154940336 354209377 /nfs/dbraw/zinc/20/93/77/354209377.db2.gz WGNWJNQXYPCDCA-CHWSQXEVSA-N 0 1 305.422 1.493 10 0 DDAEMN O=C1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc2N1 ZINC000074934982 191389232 /nfs/dbraw/zinc/38/92/32/191389232.db2.gz AMOVIBKHPRLQHV-UHFFFAOYSA-N 0 1 304.331 1.162 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)ccn1 ZINC000074945950 191393702 /nfs/dbraw/zinc/39/37/02/191393702.db2.gz QKQUZZIRRDHBHI-UHFFFAOYSA-N 0 1 305.315 1.625 10 0 DDAEMN CC(C)N1CCO[C@H](Cn2cc(Br)c(N)n2)C1 ZINC000080750319 192187543 /nfs/dbraw/zinc/18/75/43/192187543.db2.gz XPBQJPOMRKPLTE-VIFPVBQESA-N 0 1 303.204 1.337 10 0 DDAEMN C[C@@H](N)c1csc(=NS(=O)(=O)N2CCC[C@@H](C)C2)[nH]1 ZINC000080869892 192196983 /nfs/dbraw/zinc/19/69/83/192196983.db2.gz PYHGZKUPBLRPOC-RKDXNWHRSA-N 0 1 304.441 1.551 10 0 DDAEMN CCc1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc1F ZINC000236984898 202107779 /nfs/dbraw/zinc/10/77/79/202107779.db2.gz YVDWWVYZVYEGAS-GFCCVEGCSA-N 0 1 302.371 1.089 10 0 DDAEMN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180727498 199201969 /nfs/dbraw/zinc/20/19/69/199201969.db2.gz FDWXMVCOYMAWBV-IUCAKERBSA-N 0 1 316.760 1.807 10 0 DDAEMN O=C1NC(=O)/C(=C\c2cccc(I)c2)N1 ZINC000006220724 181320335 /nfs/dbraw/zinc/32/03/35/181320335.db2.gz YIQULVWYYUNRCF-VMPITWQZSA-N 0 1 314.082 1.472 10 0 DDAEMN CC[C@@H]1CN(Cc2cncc(OC)n2)C[C@@H]1N1CCOCC1 ZINC000625228127 366788473 /nfs/dbraw/zinc/78/84/73/366788473.db2.gz QMTBUCIMUCYSOL-HIFRSBDPSA-N 0 1 306.410 1.028 10 0 DDAEMN C[C@H](C(=O)Nc1ccc(Cl)cc1N)N(C)CC1CC(O)C1 ZINC000091460323 193059664 /nfs/dbraw/zinc/05/96/64/193059664.db2.gz KFLBGJCJQGIYJF-GRZMOONWSA-N 0 1 311.813 1.952 10 0 DDAEMN O=C([O-])C=Cc1ccsc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091756134 193103010 /nfs/dbraw/zinc/10/30/10/193103010.db2.gz XENBPIRUSZUABA-FMBMQGQPSA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([O-])C=Cc1ccsc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091756134 193103012 /nfs/dbraw/zinc/10/30/12/193103012.db2.gz XENBPIRUSZUABA-FMBMQGQPSA-N 0 1 307.375 1.055 10 0 DDAEMN COCCNCc1nc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000091996606 193138699 /nfs/dbraw/zinc/13/86/99/193138699.db2.gz DQDJYCIQYGDNFN-LBPRGKRZSA-N 0 1 308.300 1.428 10 0 DDAEMN CC[N@H+]1CCO[C@H](Cn2cc(C(=O)[O-])c(C(F)(F)F)c2)C1 ZINC000092059210 193149196 /nfs/dbraw/zinc/14/91/96/193149196.db2.gz ZVDNEKAJCMYDPK-VIFPVBQESA-N 0 1 306.284 1.926 10 0 DDAEMN CCNCc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(C)o1 ZINC000092113915 193161538 /nfs/dbraw/zinc/16/15/38/193161538.db2.gz DRGJHFSSYBZDRX-QWRGUYRKSA-N 0 1 300.424 1.974 10 0 DDAEMN COc1ccc([C@@H](O)CNC(=O)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000262671528 203376172 /nfs/dbraw/zinc/37/61/72/203376172.db2.gz RUVVYLHWYQSFGQ-IRXDYDNUSA-N 0 1 314.385 1.853 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093779482 193306470 /nfs/dbraw/zinc/30/64/70/193306470.db2.gz MZPVSKXOOVPHNX-YGRLFVJLSA-N 0 1 306.391 1.635 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cccc(OCC(=O)N(C)C)c1)N(C)C ZINC000094017063 193338695 /nfs/dbraw/zinc/33/86/95/193338695.db2.gz NRXWXUPIALOSLI-HNNXBMFYSA-N 0 1 321.421 1.822 10 0 DDAEMN COc1ccc(NS(=O)(=O)c2cc(N)cc(F)c2C)cn1 ZINC000094359155 193365359 /nfs/dbraw/zinc/36/53/59/193365359.db2.gz ROAIMXQRXMUSAO-UHFFFAOYSA-N 0 1 311.338 1.921 10 0 DDAEMN CC(C)C[N@H+]1CCO[C@@H](CN[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094229291 193351942 /nfs/dbraw/zinc/35/19/42/193351942.db2.gz KSLCBDFMOUDGPG-JQWIXIFHSA-N 0 1 312.332 1.338 10 0 DDAEMN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1nn[nH]n1 ZINC000094596865 193382304 /nfs/dbraw/zinc/38/23/04/193382304.db2.gz FXPHMRZRODPHMD-RXMQYKEDSA-N 0 1 303.219 1.849 10 0 DDAEMN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1nn[nH]n1 ZINC000094599847 193384024 /nfs/dbraw/zinc/38/40/24/193384024.db2.gz UEVADFKCFABWFI-RXMQYKEDSA-N 0 1 303.219 1.849 10 0 DDAEMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779058 193396150 /nfs/dbraw/zinc/39/61/50/193396150.db2.gz DHTNKCNSIVIRBI-NSHDSACASA-N 0 1 315.414 1.479 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2cc(N)c(F)cc2C)C1 ZINC000094779441 193396428 /nfs/dbraw/zinc/39/64/28/193396428.db2.gz HQFQITITASWMFC-LLVKDONJSA-N 0 1 315.414 1.479 10 0 DDAEMN O=C(N1CCNCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000021517899 182277957 /nfs/dbraw/zinc/27/79/57/182277957.db2.gz HJZRVSNZHIHSCQ-UHFFFAOYSA-N 0 1 308.813 1.487 10 0 DDAEMN Cc1cc(NC(=O)C(C)C)n(-c2nc3c(cnn3C)c(=O)[nH]2)n1 ZINC000038507269 183001180 /nfs/dbraw/zinc/00/11/80/183001180.db2.gz NHNZBYUQWNMCPO-UHFFFAOYSA-N 0 1 315.337 1.158 10 0 DDAEMN Cc1nc(C)c([C@H](C)NCc2cc(=O)n(C)c(=O)n2C)s1 ZINC000040518649 183090093 /nfs/dbraw/zinc/09/00/93/183090093.db2.gz VHHXUQBOYXUGTI-QMMMGPOBSA-N 0 1 308.407 1.008 10 0 DDAEMN COc1ccc(CNC(C)(C)C(N)=O)cc1Br ZINC000040674570 183116325 /nfs/dbraw/zinc/11/63/25/183116325.db2.gz XFUBMDWFYBOVGZ-UHFFFAOYSA-N 0 1 301.184 1.811 10 0 DDAEMN Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1N ZINC000041023510 183156812 /nfs/dbraw/zinc/15/68/12/183156812.db2.gz FICDNOSLZWTCIS-UHFFFAOYSA-N 0 1 304.379 1.262 10 0 DDAEMN Cc1cc(=O)[n-]c(SCCOc2ccc(C(N)=[NH2+])cc2)n1 ZINC000041068850 183162181 /nfs/dbraw/zinc/16/21/81/183162181.db2.gz OFFZIROBEJZNOP-UHFFFAOYSA-N 0 1 304.375 1.946 10 0 DDAEMN CC(C)n1cc([C@@]2(O)CCCN(Cc3ccnc(N)c3)C2)nn1 ZINC000284612196 218099478 /nfs/dbraw/zinc/09/94/78/218099478.db2.gz LTNCKXQNQKMYKG-MRXNPFEDSA-N 0 1 316.409 1.320 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000105825232 194137983 /nfs/dbraw/zinc/13/79/83/194137983.db2.gz HDSMXMUQBKXLJS-CJNGLKHVSA-N 0 1 323.412 1.541 10 0 DDAEMN C[C@@H](C(=O)NC(C)(C)C)N1CCCN(c2cccnn2)CC1 ZINC000105799151 194132603 /nfs/dbraw/zinc/13/26/03/194132603.db2.gz JCPNJAJCFZGCNH-ZDUSSCGKSA-N 0 1 305.426 1.292 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)CCN1CCOC ZINC000105914565 194170114 /nfs/dbraw/zinc/17/01/14/194170114.db2.gz BHWZBUAHNBVVQM-JKSUJKDBSA-N 0 1 311.470 1.430 10 0 DDAEMN Cc1ccc([C@H](C)NS(=O)(=O)c2cnc(NN)nc2)cc1 ZINC000049560644 183742006 /nfs/dbraw/zinc/74/20/06/183742006.db2.gz YFCAKCCFMFDEJZ-JTQLQIEISA-N 0 1 307.379 1.110 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000109460726 194265362 /nfs/dbraw/zinc/26/53/62/194265362.db2.gz FHRKPJKLPVFPPQ-CYBMUJFWSA-N 0 1 307.419 1.215 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000109460783 194265860 /nfs/dbraw/zinc/26/58/60/194265860.db2.gz JQWNGWBGNLKNIA-CYBMUJFWSA-N 0 1 309.410 1.648 10 0 DDAEMN COc1ccc([C@H](NCC[NH+](C)C)C(=O)[O-])c(Cl)c1OC ZINC000110830490 194362563 /nfs/dbraw/zinc/36/25/63/194362563.db2.gz BNKHVKSAHJQINO-LBPRGKRZSA-N 0 1 316.785 1.634 10 0 DDAEMN Cc1ccc2[nH]c(S[C@H](C)C(=O)N3CCNCC3)nc2c1 ZINC000061440720 184171109 /nfs/dbraw/zinc/17/11/09/184171109.db2.gz VVYBJEMFHPMSSJ-LLVKDONJSA-N 0 1 304.419 1.784 10 0 DDAEMN C[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000062014415 184201306 /nfs/dbraw/zinc/20/13/06/184201306.db2.gz SBUBWTZXSAGOFU-TVYUQYBPSA-N 0 1 302.827 1.457 10 0 DDAEMN CCCc1cc(=O)[n-]c(SCC[C@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000062599213 184245274 /nfs/dbraw/zinc/24/52/74/184245274.db2.gz RAEXUPOCGROQGS-NSHDSACASA-N 0 1 312.439 1.057 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1)N(C)C ZINC000157758073 197212772 /nfs/dbraw/zinc/21/27/72/197212772.db2.gz CFNKAUDQGHERMK-ZDUSSCGKSA-N 0 1 324.425 1.850 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC3(C)CCC3)CCO2)n[nH]1 ZINC000120391433 195157415 /nfs/dbraw/zinc/15/74/15/195157415.db2.gz XMXKQXRUDRRUEZ-LLVKDONJSA-N 0 1 307.398 1.640 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC3(C(C)C)CC3)CCO2)n[nH]1 ZINC000120580187 195194505 /nfs/dbraw/zinc/19/45/05/195194505.db2.gz XCTXODDXAOAOMX-GFCCVEGCSA-N 0 1 321.425 1.886 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000120627426 195205004 /nfs/dbraw/zinc/20/50/04/195205004.db2.gz YEUCFLOTYVCBMC-WDEREUQCSA-N 0 1 302.340 1.991 10 0 DDAEMN C[C@@H]1NCCN(S(=O)(=O)c2c(F)cc(F)cc2F)[C@H]1C ZINC000262807429 288858793 /nfs/dbraw/zinc/85/87/93/288858793.db2.gz XFKSYWDRIVFODA-YUMQZZPRSA-N 0 1 308.325 1.475 10 0 DDAEMN CC(C)C(=O)N1CCCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000069609065 406744144 /nfs/dbraw/zinc/74/41/44/406744144.db2.gz SSUKWGCGVVTNIW-AWEZNQCLSA-N 0 1 300.443 1.353 10 0 DDAEMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(F)c(F)c1 ZINC000078245756 407021990 /nfs/dbraw/zinc/02/19/90/407021990.db2.gz WCAIIKDAHQVUTB-BDAKNGLRSA-N 0 1 311.332 1.992 10 0 DDAEMN CCOCCNC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000084696380 407093062 /nfs/dbraw/zinc/09/30/62/407093062.db2.gz SPMVHOUNTZFJSA-IRXDYDNUSA-N 0 1 320.433 1.727 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cn3)CCO2)n[nH]1 ZINC000123415575 407328257 /nfs/dbraw/zinc/32/82/57/407328257.db2.gz NYPPMFXJCXMPSW-JTQLQIEISA-N 0 1 306.301 1.253 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n[nH]1 ZINC000124629639 407364437 /nfs/dbraw/zinc/36/44/37/407364437.db2.gz XQBKRHWXIDORFO-DGCLKSJQSA-N 0 1 316.409 1.582 10 0 DDAEMN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc2[nH]nnc2c1 ZINC000125099528 407379417 /nfs/dbraw/zinc/37/94/17/407379417.db2.gz FBDMCXLGQSBTDA-GFCCVEGCSA-N 0 1 323.360 1.147 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000178500655 407472877 /nfs/dbraw/zinc/47/28/77/407472877.db2.gz QJSKXMPECDDFLP-DOTOQJQBSA-N 0 1 323.481 1.286 10 0 DDAEMN CCOC(=O)C[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000129923418 407637617 /nfs/dbraw/zinc/63/76/17/407637617.db2.gz KVMJREUPCGBMEC-GOEBONIOSA-N 0 1 320.433 1.865 10 0 DDAEMN [NH3+][C@@H](C(=O)N1CCN(CC2CCCCC2)CC1)C1CCOCC1 ZINC000261984309 407702634 /nfs/dbraw/zinc/70/26/34/407702634.db2.gz MIICWGRFFJJIDU-QGZVFWFLSA-N 0 1 323.481 1.465 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000171553458 407703533 /nfs/dbraw/zinc/70/35/33/407703533.db2.gz NAIZHTMQOHHIIV-KGLIPLIRSA-N 0 1 319.453 1.680 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2ccccn2)C[C@@H]1CC ZINC000116767781 407772402 /nfs/dbraw/zinc/77/24/02/407772402.db2.gz KKHFEQBKOGAQRQ-KRWDZBQOSA-N 0 1 319.449 1.974 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179515111 407801215 /nfs/dbraw/zinc/80/12/15/407801215.db2.gz DQJHOBITDGXDHT-LBPRGKRZSA-N 0 1 316.413 1.629 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179515111 407801223 /nfs/dbraw/zinc/80/12/23/407801223.db2.gz DQJHOBITDGXDHT-LBPRGKRZSA-N 0 1 316.413 1.629 10 0 DDAEMN CCC(CC)CS(=O)(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262469701 407841721 /nfs/dbraw/zinc/84/17/21/407841721.db2.gz NQLHDEXTRIDWQA-UHFFFAOYSA-N 0 1 320.455 1.280 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2cccc(O)c2)C[C@H]1CC ZINC000116977432 407803967 /nfs/dbraw/zinc/80/39/67/407803967.db2.gz IOVURRKXLABLCM-MRXNPFEDSA-N 0 1 320.433 1.894 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Br)cc1Cl ZINC000262388078 407819630 /nfs/dbraw/zinc/81/96/30/407819630.db2.gz YOBSDYCMGUIREC-JTQLQIEISA-N 0 1 321.602 1.692 10 0 DDAEMN COC[C@@H](N)C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC000262392222 407822375 /nfs/dbraw/zinc/82/23/75/407822375.db2.gz YXKRPRNKWGLXHW-GFCCVEGCSA-N 0 1 310.394 1.071 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000262440074 407837477 /nfs/dbraw/zinc/83/74/77/407837477.db2.gz USXKXRDEXBUSTN-GWCFXTLKSA-N 0 1 304.350 1.327 10 0 DDAEMN CCOCCN1CCN([C@@H](CC)C(=O)OCC)C[C@H]1CC ZINC000173680902 407894279 /nfs/dbraw/zinc/89/42/79/407894279.db2.gz HVYVJWWKIHQWCL-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(F)c2F)C1 ZINC000262681021 407897582 /nfs/dbraw/zinc/89/75/82/407897582.db2.gz APIWRZQZDNGJBD-UHFFFAOYSA-N 0 1 312.316 1.632 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2sccc2OC)C1 ZINC000262694318 407900370 /nfs/dbraw/zinc/90/03/70/407900370.db2.gz FSBVOVGQMVMDEW-UHFFFAOYSA-N 0 1 312.391 1.424 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000262721322 407908881 /nfs/dbraw/zinc/90/88/81/407908881.db2.gz PYGQCYBHFFFEBO-UHFFFAOYSA-N 0 1 320.389 1.671 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cccnc3)C2=O)n(C)n1 ZINC000174344722 407934068 /nfs/dbraw/zinc/93/40/68/407934068.db2.gz RGAUNOPCCJYYFQ-DZGCQCFKSA-N 0 1 313.405 1.970 10 0 DDAEMN C[NH+](C)C[C@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000181693852 408025991 /nfs/dbraw/zinc/02/59/91/408025991.db2.gz LSAXSLKKZZMLIE-KRWDZBQOSA-N 0 1 309.429 1.520 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)CSC)CCN1C[C@@H](C)O ZINC000181794114 408041133 /nfs/dbraw/zinc/04/11/33/408041133.db2.gz VWIJGVRLOAHECD-YNEHKIRRSA-N 0 1 303.472 1.225 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)c2nc(COC)no2)CCN1CCOC ZINC000181819057 408043704 /nfs/dbraw/zinc/04/37/04/408043704.db2.gz LHPSLGSDFLMKCM-QWHCGFSZSA-N 0 1 312.414 1.320 10 0 DDAEMN C[C@H](C(=O)[O-])[N@@H+](CCC(=O)N1CCc2ccccc21)C1CC1 ZINC000263178883 408048847 /nfs/dbraw/zinc/04/88/47/408048847.db2.gz TXQFVSSGCGUSTA-GFCCVEGCSA-N 0 1 302.374 1.903 10 0 DDAEMN CN(C)c1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000181931505 408054137 /nfs/dbraw/zinc/05/41/37/408054137.db2.gz FSMYVFXRVYPONQ-CYBMUJFWSA-N 0 1 303.410 1.850 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000262965291 407988222 /nfs/dbraw/zinc/98/82/22/407988222.db2.gz QTZMHARBQZCIDU-CYBMUJFWSA-N 0 1 313.442 1.018 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@H](C)c2cccnc2)CCN1CCOC ZINC000245470140 407993719 /nfs/dbraw/zinc/99/37/19/407993719.db2.gz VZWMRMUAHOJDCL-ZBFHGGJFSA-N 0 1 305.422 1.754 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000175187156 408071853 /nfs/dbraw/zinc/07/18/53/408071853.db2.gz VKPYNOKUOUDXFJ-CQSZACIVSA-N 0 1 319.453 1.633 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000154703384 408072951 /nfs/dbraw/zinc/07/29/51/408072951.db2.gz CGIWKFLUGAXQIR-AEFFLSMTSA-N 0 1 302.418 1.798 10 0 DDAEMN CO[C@@H](C)CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000182147380 408082258 /nfs/dbraw/zinc/08/22/58/408082258.db2.gz OTUUGJXEYXMOCU-JKSUJKDBSA-N 0 1 308.422 1.079 10 0 DDAEMN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)o1 ZINC000175317309 408102150 /nfs/dbraw/zinc/10/21/50/408102150.db2.gz QVDIWUXUJQAYBQ-MFKMUULPSA-N 0 1 319.365 1.859 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C3CC3)C2)C1 ZINC000263462159 408145558 /nfs/dbraw/zinc/14/55/58/408145558.db2.gz JATWDXDSYTZZSE-HSBZDZAISA-N 0 1 309.410 1.365 10 0 DDAEMN CC[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCN1C[C@@H](C)O ZINC000190513238 408266124 /nfs/dbraw/zinc/26/61/24/408266124.db2.gz CVZYTAWJORAMCU-YPMHNXCESA-N 0 1 306.410 1.204 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151231234 408279776 /nfs/dbraw/zinc/27/97/76/408279776.db2.gz KPQWPSNHZAXIKT-RDJZCZTQSA-N 0 1 320.437 1.987 10 0 DDAEMN C[C@H]1CN(CC(=O)NCCC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246561146 408292893 /nfs/dbraw/zinc/29/28/93/408292893.db2.gz UWFONQFMIVBCQB-LSDHHAIUSA-N 0 1 311.470 1.191 10 0 DDAEMN Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)CN2CCOCC2)o1 ZINC000130952720 162000891 /nfs/dbraw/zinc/00/08/91/162000891.db2.gz PNFJBDQRIMRKQL-CVEARBPZSA-N 0 1 308.422 1.808 10 0 DDAEMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCCO1 ZINC000183139508 408335500 /nfs/dbraw/zinc/33/55/00/408335500.db2.gz AABOTERLAVSEEP-RISCZKNCSA-N 0 1 303.362 1.129 10 0 DDAEMN CCCn1cc(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)cn1 ZINC000183208048 408352865 /nfs/dbraw/zinc/35/28/65/408352865.db2.gz WKEYCCAAIABOHO-GFCCVEGCSA-N 0 1 318.381 1.187 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCc2ccccn2)CCN1C[C@H](C)O ZINC000247010679 408387040 /nfs/dbraw/zinc/38/70/40/408387040.db2.gz WFOQNAVDWCSTGZ-DOTOQJQBSA-N 0 1 319.449 1.708 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000247011109 408387456 /nfs/dbraw/zinc/38/74/56/408387456.db2.gz CEQLGAXNJJMBTB-OWCLPIDISA-N 0 1 313.486 1.407 10 0 DDAEMN C[C@H]1CN([C@@H](CNC(=O)CN(C)C)c2cccs2)CCO1 ZINC000176587435 408398742 /nfs/dbraw/zinc/39/87/42/408398742.db2.gz UQCWJLGUJHNGQG-STQMWFEESA-N 0 1 311.451 1.188 10 0 DDAEMN CC(C)CN1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176601444 408402251 /nfs/dbraw/zinc/40/22/51/408402251.db2.gz AYSIEKZRLWKNNB-CYBMUJFWSA-N 0 1 306.414 1.096 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NCCC(C)(C)C)CCN1C[C@H](C)O ZINC000247101995 408410345 /nfs/dbraw/zinc/41/03/45/408410345.db2.gz IGURRSQUWQELKQ-LSDHHAIUSA-N 0 1 313.486 1.316 10 0 DDAEMN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176936370 408480430 /nfs/dbraw/zinc/48/04/30/408480430.db2.gz XLVFKDZWRYUXAT-LLVKDONJSA-N 0 1 316.361 1.493 10 0 DDAEMN CCOC(=O)[C@@H](c1ccccc1)N1CCN(CCOC)[C@@H](C)C1 ZINC000247495958 408481679 /nfs/dbraw/zinc/48/16/79/408481679.db2.gz HMYHRJXORINREB-DOTOQJQBSA-N 0 1 320.433 1.943 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000247550051 408492011 /nfs/dbraw/zinc/49/20/11/408492011.db2.gz ZELUDRVHOSPPIM-GJZGRUSLSA-N 0 1 308.447 1.629 10 0 DDAEMN CCCCc1noc(CN2CCN(CCOC)[C@@H](CC)C2)n1 ZINC000247387425 408463275 /nfs/dbraw/zinc/46/32/75/408463275.db2.gz WSWRLEKINRAFBM-AWEZNQCLSA-N 0 1 310.442 1.955 10 0 DDAEMN CS(=O)(=O)N1CCC[C@H](CN2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000247407310 408467179 /nfs/dbraw/zinc/46/71/79/408467179.db2.gz YFHQVCOAGRPLFR-RBSFLKMASA-N 0 1 316.467 1.301 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)CCc1nc[nH]n1 ZINC000177237801 408561283 /nfs/dbraw/zinc/56/12/83/408561283.db2.gz MSCKIRLUOITEJE-NSHDSACASA-N 0 1 323.397 1.253 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000248442518 408566842 /nfs/dbraw/zinc/56/68/42/408566842.db2.gz VLZKNPAEXQCKDU-CHWSQXEVSA-N 0 1 310.398 1.464 10 0 DDAEMN COC(=O)c1oc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000177270228 408568295 /nfs/dbraw/zinc/56/82/95/408568295.db2.gz XNADPAAFNKPVAA-UKRRQHHQSA-N 0 1 322.405 1.527 10 0 DDAEMN C[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000192805699 408653712 /nfs/dbraw/zinc/65/37/12/408653712.db2.gz ZMUCUTVGEARTSK-HZPDHXFCSA-N 0 1 323.456 1.644 10 0 DDAEMN CN(Cc1cccs1)C(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177755336 408703757 /nfs/dbraw/zinc/70/37/57/408703757.db2.gz OVVWYEKEUKTQPY-CQSZACIVSA-N 0 1 307.463 1.877 10 0 DDAEMN CCC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000195053256 408810273 /nfs/dbraw/zinc/81/02/73/408810273.db2.gz RJCSMSBRDWRADF-HUUCEWRRSA-N 0 1 307.438 1.332 10 0 DDAEMN CCC(=O)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195053256 408810277 /nfs/dbraw/zinc/81/02/77/408810277.db2.gz RJCSMSBRDWRADF-HUUCEWRRSA-N 0 1 307.438 1.332 10 0 DDAEMN COc1cccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1F ZINC000192958567 163243683 /nfs/dbraw/zinc/24/36/83/163243683.db2.gz ZEQULSDPBPLSME-ZDUSSCGKSA-N 0 1 306.341 1.834 10 0 DDAEMN O=C(CNC(=O)c1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000195319605 163315240 /nfs/dbraw/zinc/31/52/40/163315240.db2.gz FZRPJDXNIQRDMV-LBPRGKRZSA-N 0 1 307.419 1.175 10 0 DDAEMN COc1ccccc1S(=O)(=O)N[C@H](CC(C)C)CN(C)C ZINC000189134336 222036251 /nfs/dbraw/zinc/03/62/51/222036251.db2.gz KNACPWKEFJHKKW-CYBMUJFWSA-N 0 1 314.451 1.950 10 0 DDAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCO[C@@H](c2ccco2)C1 ZINC000375091737 418603086 /nfs/dbraw/zinc/60/30/86/418603086.db2.gz UMXZNZAYKVYBJK-IINYFYTJSA-N 0 1 302.334 1.103 10 0 DDAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCO[C@@H](c2ccco2)C1 ZINC000375091737 418603090 /nfs/dbraw/zinc/60/30/90/418603090.db2.gz UMXZNZAYKVYBJK-IINYFYTJSA-N 0 1 302.334 1.103 10 0 DDAEMN CN1CCO[C@H](CNCc2ccsc2Br)C1 ZINC000388503346 418746915 /nfs/dbraw/zinc/74/69/15/418746915.db2.gz NFJUZRFUUKKRSL-SNVBAGLBSA-N 0 1 305.241 1.931 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCCC2)[N@@H+]1Cc1ccccc1 ZINC000630649062 422239801 /nfs/dbraw/zinc/23/98/01/422239801.db2.gz HUUSSMFHNYTMIP-LSDHHAIUSA-N 0 1 302.374 1.727 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCCC2)[N@H+]1Cc1ccccc1 ZINC000630649062 422239806 /nfs/dbraw/zinc/23/98/06/422239806.db2.gz HUUSSMFHNYTMIP-LSDHHAIUSA-N 0 1 302.374 1.727 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC(n2ccc(N)n2)CC1 ZINC000616619536 422516350 /nfs/dbraw/zinc/51/63/50/422516350.db2.gz MGCYXCDSVUYBRU-UHFFFAOYSA-N 0 1 309.414 1.627 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3cccc(C)c23)N(C)C1 ZINC000344647560 272078897 /nfs/dbraw/zinc/07/88/97/272078897.db2.gz KTRNGPLUTWPKQX-HOCLYGCPSA-N 0 1 315.417 1.854 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(CCOc2ccc(F)cc2Cl)C1 ZINC000344695854 272092121 /nfs/dbraw/zinc/09/21/21/272092121.db2.gz BMDWWRSJIZRAIZ-RYUDHWBXSA-N 0 1 303.761 1.940 10 0 DDAEMN Cc1ccc(F)cc1NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000105933111 281051633 /nfs/dbraw/zinc/05/16/33/281051633.db2.gz OMFFKIJFGUUBKA-JSGCOSHPSA-N 0 1 309.385 1.381 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cnc1Cl ZINC000117363456 281082569 /nfs/dbraw/zinc/08/25/69/281082569.db2.gz BYUQWSFESNXSGO-SNVBAGLBSA-N 0 1 303.815 1.368 10 0 DDAEMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000247402994 282050590 /nfs/dbraw/zinc/05/05/90/282050590.db2.gz REXDIXBUZNZKMT-XJKSGUPXSA-N 0 1 313.405 1.726 10 0 DDAEMN C[C@H](C(=O)[O-])[N@@H+](CCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000263368232 298214856 /nfs/dbraw/zinc/21/48/56/298214856.db2.gz WXPINCLOQVQFKQ-SNVBAGLBSA-N 0 1 302.330 1.220 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2ncccc2C)CC1 ZINC000492600995 484232944 /nfs/dbraw/zinc/23/29/44/484232944.db2.gz BNBOMQPBRVMGCK-XHPSBEMXSA-N 0 1 303.406 1.318 10 0 DDAEMN O=S1(=O)CC[C@H](CCN2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000677692961 486525737 /nfs/dbraw/zinc/52/57/37/486525737.db2.gz LRYLZSNIAOXNTQ-SOUVJXGZSA-N 0 1 301.452 1.438 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nc4cccnc4s3)CCO2)n[nH]1 ZINC000328857976 534585323 /nfs/dbraw/zinc/58/53/23/534585323.db2.gz DLNFZZXKCDFPQC-NSHDSACASA-N 0 1 316.390 1.691 10 0 DDAEMN Cc1ncc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)s1 ZINC000328635143 534742335 /nfs/dbraw/zinc/74/23/35/534742335.db2.gz UOLXZVSIVBRXTL-HIFRSBDPSA-N 0 1 319.434 1.555 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)/C=C/c1ccccc1 ZINC000106895537 696628189 /nfs/dbraw/zinc/62/81/89/696628189.db2.gz ZKJQJBRXOLGYED-XETPBLJFSA-N 0 1 323.462 1.213 10 0 DDAEMN CC[C@H]1CN(CN2CCSC2=S)CCN1CCOC ZINC000117325238 696670294 /nfs/dbraw/zinc/67/02/94/696670294.db2.gz LLMASDYQBVMMJQ-LBPRGKRZSA-N 0 1 303.497 1.320 10 0 DDAEMN NC(=O)CCn1ccc(NS(=O)(=O)/C=C/c2ccccc2)n1 ZINC000117740189 696671287 /nfs/dbraw/zinc/67/12/87/696671287.db2.gz PRPDCUMMOPMAJQ-DHZHZOJOSA-N 0 1 320.374 1.171 10 0 DDAEMN CCCCOC(=O)[C@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000119165319 696678166 /nfs/dbraw/zinc/67/81/66/696678166.db2.gz UFWITMVHXIZAKJ-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000172609965 697369609 /nfs/dbraw/zinc/36/96/09/697369609.db2.gz NGUYKKAFWYUCOV-MPBGBICISA-N 0 1 303.472 1.317 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(SC)o2)C1 ZINC000262717480 698478386 /nfs/dbraw/zinc/47/83/86/698478386.db2.gz OAKYXNAJYQLCBO-UHFFFAOYSA-N 0 1 312.391 1.669 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(Br)cc1OC ZINC000712384362 699261874 /nfs/dbraw/zinc/26/18/74/699261874.db2.gz XDTLHYPNSPRTLP-QMMMGPOBSA-N 0 1 303.156 1.370 10 0 DDAEMN COc1ccc2c(c1)[C@@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)CC2 ZINC000900391261 709571257 /nfs/dbraw/zinc/57/12/57/709571257.db2.gz BYPIBOKLUCZDIC-JSGCOSHPSA-N 0 1 313.361 1.602 10 0 DDAEMN CC(=O)N1CCN(C(=O)c2c(C)[nH]nc2-c2ccco2)CC1 ZINC000074666467 185006960 /nfs/dbraw/zinc/00/69/60/185006960.db2.gz QLOJBSQIZFFSRD-UHFFFAOYSA-N 0 1 302.334 1.282 10 0 DDAEMN COc1ccc([C@H](N)CS(=O)(=O)C(C)(C)C)cc1OC ZINC000081924339 192339955 /nfs/dbraw/zinc/33/99/55/192339955.db2.gz HVAKMSXOQAWLJA-LLVKDONJSA-N 0 1 301.408 1.917 10 0 DDAEMN CCCN[C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCOC ZINC000081944526 192344985 /nfs/dbraw/zinc/34/49/85/192344985.db2.gz IBLVQJLDCPVUFI-LSDHHAIUSA-N 0 1 313.419 1.550 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCOC)c1ccc(OCC)cc1 ZINC000081944979 192345901 /nfs/dbraw/zinc/34/59/01/192345901.db2.gz KHWQGWVNXCQQHB-OAHLLOKOSA-N 0 1 315.435 1.797 10 0 DDAEMN CCCCCN(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895519 185235420 /nfs/dbraw/zinc/23/54/20/185235420.db2.gz LHDOHEMJLAAZAU-UHFFFAOYSA-N 0 1 316.427 1.443 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2CCc3sccc3C2)o1 ZINC000088543529 185256611 /nfs/dbraw/zinc/25/66/11/185256611.db2.gz VNEHXNIETSCBOD-UHFFFAOYSA-N 0 1 312.416 1.808 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](NC)c1ccc(CC)cc1 ZINC000081978015 192349136 /nfs/dbraw/zinc/34/91/36/192349136.db2.gz XZWRCWUTVVEBIK-CQSZACIVSA-N 0 1 313.419 1.487 10 0 DDAEMN CCN[C@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCO2 ZINC000081980173 192349152 /nfs/dbraw/zinc/34/91/52/192349152.db2.gz GSYLELDQBQPSKE-CYBMUJFWSA-N 0 1 313.419 1.932 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1ccc(C(F)(F)F)cn1 ZINC000088673172 185262169 /nfs/dbraw/zinc/26/21/69/185262169.db2.gz JEGFBNSADVMUFF-SNVBAGLBSA-N 0 1 303.284 1.442 10 0 DDAEMN COc1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1Cl ZINC000088759552 185264420 /nfs/dbraw/zinc/26/44/20/185264420.db2.gz WBHLAPVWIXJDAR-UHFFFAOYSA-N 0 1 301.755 1.550 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2cccc(CO)c2)CC1 ZINC000088873126 185267575 /nfs/dbraw/zinc/26/75/75/185267575.db2.gz PYVQVSPZUMJEMP-UHFFFAOYSA-N 0 1 312.435 1.284 10 0 DDAEMN CN[C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCCOC ZINC000081986295 192349321 /nfs/dbraw/zinc/34/93/21/192349321.db2.gz KOWQIQBATULSMM-IUODEOHRSA-N 0 1 315.435 1.796 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2cc(CO)oc2C)CC1 ZINC000088891801 185269719 /nfs/dbraw/zinc/26/97/19/185269719.db2.gz PAHYWHQYGKQEJG-UHFFFAOYSA-N 0 1 316.423 1.185 10 0 DDAEMN CN[C@H]1c2ccccc2CC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989690 192350775 /nfs/dbraw/zinc/35/07/75/192350775.db2.gz YSQFLPSWARGAAT-CVEARBPZSA-N 0 1 309.431 1.856 10 0 DDAEMN O=C(c1ccc(Br)cc1[O-])N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321084 185291012 /nfs/dbraw/zinc/29/10/12/185291012.db2.gz RQMXPYXFMKGXDK-RKDXNWHRSA-N 0 1 311.179 1.446 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)C[C@@H]1C ZINC000255332293 282247843 /nfs/dbraw/zinc/24/78/43/282247843.db2.gz OZQHNVNYNLKOKT-ODBHDECVSA-N 0 1 323.824 1.662 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255511257 282261863 /nfs/dbraw/zinc/26/18/63/282261863.db2.gz PHGVKKXPIMVIGJ-ZFDPJTLLSA-N 0 1 309.435 1.380 10 0 DDAEMN O=S(=O)([N-]CC[C@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000123858413 185849587 /nfs/dbraw/zinc/84/95/87/185849587.db2.gz XKXWGAUOLLPGSR-SECBINFHSA-N 0 1 322.352 1.772 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186030905 186233530 /nfs/dbraw/zinc/23/35/30/186233530.db2.gz AQOYEFMSYQJTSW-AEFFLSMTSA-N 0 1 318.417 1.177 10 0 DDAEMN O=c1c2ccccc2ncn1CCN1CCC[C@H](n2cncn2)C1 ZINC000172247423 198065086 /nfs/dbraw/zinc/06/50/86/198065086.db2.gz IGPHAEOSTQHWKU-AWEZNQCLSA-N 0 1 324.388 1.325 10 0 DDAEMN O=C1c2ccc(Br)cc2C(=O)N1CCc1nc[nH]n1 ZINC000080624621 192174334 /nfs/dbraw/zinc/17/43/34/192174334.db2.gz QYOGMJCHNVQJKX-UHFFFAOYSA-N 0 1 321.134 1.406 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000174078418 198288167 /nfs/dbraw/zinc/28/81/67/198288167.db2.gz FMGNORFOFWODHL-IAGOWNOFSA-N 0 1 322.449 1.123 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000174091152 198290135 /nfs/dbraw/zinc/29/01/35/198290135.db2.gz RMVKBDNHRQDQMU-QGZVFWFLSA-N 0 1 319.449 1.034 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCc2ccccc2)C[C@@H]1C ZINC000174298208 198316138 /nfs/dbraw/zinc/31/61/38/198316138.db2.gz HUFQTUITMMQNBL-JKSUJKDBSA-N 0 1 304.434 1.923 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1nnc[nH]1 ZINC000174556566 198351856 /nfs/dbraw/zinc/35/18/56/198351856.db2.gz RMLDUWOZYMGKSS-NXEZZACHSA-N 0 1 309.370 1.381 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@@H]3c3ccccn3)[C@@H](O)[C@H]2O1 ZINC000106385112 353939292 /nfs/dbraw/zinc/93/92/92/353939292.db2.gz BROBLMZLNSWKNT-OXGONZEZSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccccn3)[C@@H](O)[C@H]2O1 ZINC000106385112 353939294 /nfs/dbraw/zinc/93/92/94/353939294.db2.gz BROBLMZLNSWKNT-OXGONZEZSA-N 0 1 320.389 1.456 10 0 DDAEMN Cn1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000074962807 191397094 /nfs/dbraw/zinc/39/70/94/191397094.db2.gz QOJGGMBYDMPTFS-UHFFFAOYSA-N 0 1 312.417 1.958 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@H](c2cccc(C(F)(F)F)c2)NC1 ZINC000080097607 192000403 /nfs/dbraw/zinc/00/04/03/192000403.db2.gz COXSLPDJUNXKEQ-GHMZBOCLSA-N 0 1 308.325 1.787 10 0 DDAEMN Cc1csc([C@@H](C)NS(=O)(=O)c2ccnc(NN)c2)n1 ZINC000080314783 192022821 /nfs/dbraw/zinc/02/28/21/192022821.db2.gz ICHJNDBEIHDULT-MRVPVSSYSA-N 0 1 313.408 1.172 10 0 DDAEMN CCCN1CCN(S(=O)(=O)c2cc(CNC)oc2C)CC1 ZINC000088925225 192660363 /nfs/dbraw/zinc/66/03/63/192660363.db2.gz STMQDACDSVYVRI-UHFFFAOYSA-N 0 1 315.439 1.024 10 0 DDAEMN COc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000179659593 199071585 /nfs/dbraw/zinc/07/15/85/199071585.db2.gz YHLIURMMVDNVKW-LBPRGKRZSA-N 0 1 306.362 1.330 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)NCCCCC1CCCC1 ZINC000237321246 202229540 /nfs/dbraw/zinc/22/95/40/202229540.db2.gz YOWLPGMVWITDBI-CYBMUJFWSA-N 0 1 304.456 1.225 10 0 DDAEMN C[C@H](NC(=O)c1coc(CN)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000187281356 200088107 /nfs/dbraw/zinc/08/81/07/200088107.db2.gz WWKLBZULMRGBIR-JTQLQIEISA-N 0 1 322.386 1.633 10 0 DDAEMN O=c1[n-]c([C@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000091687444 193092129 /nfs/dbraw/zinc/09/21/29/193092129.db2.gz DBJHEUIVXDIFOH-VXNVDRBHSA-N 0 1 300.156 1.480 10 0 DDAEMN O=C([O-])C=Cc1csc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091756123 193103307 /nfs/dbraw/zinc/10/33/07/193103307.db2.gz BPVWVHSMQCRYJV-FMBMQGQPSA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([O-])C=Cc1csc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000091756123 193103309 /nfs/dbraw/zinc/10/33/09/193103309.db2.gz BPVWVHSMQCRYJV-FMBMQGQPSA-N 0 1 307.375 1.055 10 0 DDAEMN CCN1CCO[C@@H](C[N@H+]2CCc3sccc3[C@@H]2C(=O)[O-])C1 ZINC000092059636 193148832 /nfs/dbraw/zinc/14/88/32/193148832.db2.gz VMUAQTWQVLGQPQ-BXUZGUMPSA-N 0 1 310.419 1.453 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113509 193161871 /nfs/dbraw/zinc/16/18/71/193161871.db2.gz BWDYGXGLFJYOIW-UWVGGRQHSA-N 0 1 300.428 1.104 10 0 DDAEMN C[C@]1(n2c(=O)c3ccccc3[nH]c2=S)CCS(=O)(=O)C1 ZINC000020937529 182255017 /nfs/dbraw/zinc/25/50/17/182255017.db2.gz XQNDAYDCXLLRDB-ZDUSSCGKSA-N 0 1 310.400 1.593 10 0 DDAEMN Cc1csc(CCC(=O)N2CCC[C@H](c3nc[nH]n3)C2)n1 ZINC000333568876 249026751 /nfs/dbraw/zinc/02/67/51/249026751.db2.gz SXAFLYHDFGXMLF-NSHDSACASA-N 0 1 305.407 1.908 10 0 DDAEMN CCCNS(=O)(=O)c1ccccc1N[C@H]1CCCN(C)C1 ZINC000040673418 183115935 /nfs/dbraw/zinc/11/59/35/183115935.db2.gz JZDWCKDHHDPKKO-ZDUSSCGKSA-N 0 1 311.451 1.881 10 0 DDAEMN CC(C)[C@@H]1N(C(=O)NCc2n[nH]c(C3CC3)n2)C[C@@]12CCCO2 ZINC000334017153 249179521 /nfs/dbraw/zinc/17/95/21/249179521.db2.gz AZWRLQCGCSPGGI-BBRMVZONSA-N 0 1 319.409 1.781 10 0 DDAEMN Nc1cc(C(F)(F)F)ccc1SCC(=O)N1CCNCC1 ZINC000043403248 183358658 /nfs/dbraw/zinc/35/86/58/183358658.db2.gz BXRVVDUBYSPLAC-UHFFFAOYSA-N 0 1 319.352 1.812 10 0 DDAEMN COc1cccc([C@@H](CNC(=O)[C@H](C)C(N)=S)N(C)C)c1 ZINC000044829396 183440585 /nfs/dbraw/zinc/44/05/85/183440585.db2.gz QTAXADXETKBJBC-ZWNOBZJWSA-N 0 1 309.435 1.336 10 0 DDAEMN CCCc1cc(=O)[n-]c(SCCC[C@](C)([NH2+]C)C(N)=O)n1 ZINC000045581457 183516910 /nfs/dbraw/zinc/51/69/10/183516910.db2.gz MBZDXWMGAOYOCV-AWEZNQCLSA-N 0 1 312.439 1.058 10 0 DDAEMN COCc1cccc(CN2C[C@H](OC)C[C@H]2c2nnc[nH]2)c1 ZINC000284652015 218116569 /nfs/dbraw/zinc/11/65/69/218116569.db2.gz VHTKULQAEBMPDV-CABCVRRESA-N 0 1 302.378 1.913 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1F ZINC000105932595 194173528 /nfs/dbraw/zinc/17/35/28/194173528.db2.gz YVSYGVJPQPJKQM-OCCSQVGLSA-N 0 1 309.385 1.381 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000109466194 194266813 /nfs/dbraw/zinc/26/68/13/194266813.db2.gz AQMHLBHWVIRVGS-YNEHKIRRSA-N 0 1 309.479 1.632 10 0 DDAEMN CC[C@H]1CN(c2nnc(SCC(=O)[O-])s2)CC[N@@H+]1C ZINC000110736674 194355251 /nfs/dbraw/zinc/35/52/51/194355251.db2.gz WJUFHXXOADWSCL-QMMMGPOBSA-N 0 1 302.425 1.245 10 0 DDAEMN CC[C@H]1CN(c2nnc(SCC(=O)[O-])s2)CC[N@H+]1C ZINC000110736674 194355253 /nfs/dbraw/zinc/35/52/53/194355253.db2.gz WJUFHXXOADWSCL-QMMMGPOBSA-N 0 1 302.425 1.245 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061146333 184163202 /nfs/dbraw/zinc/16/32/02/184163202.db2.gz BKPZWPWHQDAYKA-UHFFFAOYSA-N 0 1 312.797 1.811 10 0 DDAEMN CSc1ncccc1C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145019 184163273 /nfs/dbraw/zinc/16/32/73/184163273.db2.gz QOWQZLYDRMMNQM-UHFFFAOYSA-N 0 1 309.391 1.036 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)s1 ZINC000061644677 184180193 /nfs/dbraw/zinc/18/01/93/184180193.db2.gz ZGBBHCFEIDMJQE-QMMMGPOBSA-N 0 1 309.844 1.511 10 0 DDAEMN C[C@H](O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655573 184180990 /nfs/dbraw/zinc/18/09/90/184180990.db2.gz FQXFVNHMJZXOAD-GXTWGEPZSA-N 0 1 312.435 1.455 10 0 DDAEMN COCCN[C@@]1(c2nc3c(s2)CCC3)CCN(C2CC2)C1 ZINC000061991973 184199581 /nfs/dbraw/zinc/19/95/81/184199581.db2.gz GXAWQQRRURFODD-INIZCTEOSA-N 0 1 307.463 1.931 10 0 DDAEMN CCN[C@@](CSC1CCOCC1)(C(N)=O)c1ccccc1 ZINC000062056455 184203583 /nfs/dbraw/zinc/20/35/83/184203583.db2.gz CCVDDUKIWBRPAB-MRXNPFEDSA-N 0 1 308.447 1.889 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000062937784 184261451 /nfs/dbraw/zinc/26/14/51/184261451.db2.gz MLDGGGGOHWZYGX-SWLSCSKDSA-N 0 1 300.399 1.104 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c(N)c1 ZINC000062975743 184264121 /nfs/dbraw/zinc/26/41/21/184264121.db2.gz XNLSLDNDSWMPMH-ZDUSSCGKSA-N 0 1 309.435 1.436 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1cc(N)ccc1F ZINC000063051374 184268712 /nfs/dbraw/zinc/26/87/12/184268712.db2.gz KXIRBQRDFSBZOU-UHFFFAOYSA-N 0 1 301.387 1.124 10 0 DDAEMN Nc1cc(F)c(S(=O)(=O)NCCC(F)(F)F)c(F)c1 ZINC000063099125 184270781 /nfs/dbraw/zinc/27/07/81/184270781.db2.gz ZEDVCHSALYQWAO-UHFFFAOYSA-N 0 1 304.240 1.778 10 0 DDAEMN C[C@H](NCC(=O)Nc1cnccn1)c1ccccc1-n1cccn1 ZINC000065398713 184336834 /nfs/dbraw/zinc/33/68/34/184336834.db2.gz GJAWBMICLYCJAQ-ZDUSSCGKSA-N 0 1 322.372 1.952 10 0 DDAEMN O=C(c1ccccc1)N1CCC(N[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000065405549 184337651 /nfs/dbraw/zinc/33/76/51/184337651.db2.gz BXTBABABQCUWLY-OAHLLOKOSA-N 0 1 320.414 1.192 10 0 DDAEMN COc1ccccc1CN1C[C@@H]2OCCN(C(C)=O)C[C@@H]2C1 ZINC000247933760 257114334 /nfs/dbraw/zinc/11/43/34/257114334.db2.gz KRWNWCQDIKLTHU-RDJZCZTQSA-N 0 1 304.390 1.374 10 0 DDAEMN c1ccc(CN2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)nc1 ZINC000253596103 257105684 /nfs/dbraw/zinc/10/56/84/257105684.db2.gz NEHSMSRLCWLUMS-RTBURBONSA-N 0 1 324.428 1.952 10 0 DDAEMN O=C(NCc1ccncc1)c1cnc(-c2ccccn2)[nH]c1=O ZINC000077556405 406996760 /nfs/dbraw/zinc/99/67/60/406996760.db2.gz LACLFZGYKCEFJA-UHFFFAOYSA-N 0 1 307.313 1.569 10 0 DDAEMN CC(C)CC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105817922 407355535 /nfs/dbraw/zinc/35/55/35/407355535.db2.gz OVKDSDOJNBKKBS-MRXNPFEDSA-N 0 1 311.470 1.286 10 0 DDAEMN CC(C)CC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105817922 407355537 /nfs/dbraw/zinc/35/55/37/407355537.db2.gz OVKDSDOJNBKKBS-MRXNPFEDSA-N 0 1 311.470 1.286 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H]2c2cnn(C)c2)n[nH]1 ZINC000124552757 407362352 /nfs/dbraw/zinc/36/23/52/407362352.db2.gz UUUJPBTXUSOIQN-XHDPSFHLSA-N 0 1 316.409 1.929 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)Cc1[nH]nc3ccccc31)CC2 ZINC000114869677 407629254 /nfs/dbraw/zinc/62/92/54/407629254.db2.gz SWECRIRILZPDFO-LLVKDONJSA-N 0 1 324.388 1.391 10 0 DDAEMN CCC[C@@H]1C[C@H]1Nc1nc[nH]c(=O)c1I ZINC000233311912 407704508 /nfs/dbraw/zinc/70/45/08/407704508.db2.gz MGZJOIRYRFIABG-RNFRBKRXSA-N 0 1 319.146 1.975 10 0 DDAEMN C[C@@H](CN1CCCC1=O)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000171611813 407720283 /nfs/dbraw/zinc/72/02/83/407720283.db2.gz GZLKEZNQDSTZOQ-GOEBONIOSA-N 0 1 317.433 1.286 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc[nH]c2=O)C[C@@H]1CC ZINC000116767900 407771303 /nfs/dbraw/zinc/77/13/03/407771303.db2.gz PWXJQOJYFYQNQS-ZDUSSCGKSA-N 0 1 307.394 1.360 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000262368930 407814454 /nfs/dbraw/zinc/81/44/54/407814454.db2.gz WLMGGCHJZYNYDY-CQSZACIVSA-N 0 1 319.336 1.603 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000262374670 407816469 /nfs/dbraw/zinc/81/64/69/407816469.db2.gz XCHVQKCBLJXFGY-SSDOTTSWSA-N 0 1 303.240 1.759 10 0 DDAEMN CC1(C)C[C@H](NC(=O)C[C@@H]2COCCN2)c2ccccc2O1 ZINC000262504481 407854332 /nfs/dbraw/zinc/85/43/32/407854332.db2.gz IZBVUALTZYOLDE-OCCSQVGLSA-N 0 1 304.390 1.784 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3cccnc3)CCO2)n[nH]1 ZINC000173687743 407893999 /nfs/dbraw/zinc/89/39/99/407893999.db2.gz DSGNEEQROYYLHW-LBPRGKRZSA-N 0 1 316.365 1.045 10 0 DDAEMN CCOc1ccc(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)cc1 ZINC000262697057 407903481 /nfs/dbraw/zinc/90/34/81/407903481.db2.gz FCNMRFLQQAJKRZ-UHFFFAOYSA-N 0 1 320.389 1.753 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccccc2)CC1 ZINC000262485441 407848123 /nfs/dbraw/zinc/84/81/23/407848123.db2.gz LEIJUPFDZDESEB-OAHLLOKOSA-N 0 1 319.405 1.496 10 0 DDAEMN CN1CCO[C@H](CNC(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000245201808 407950015 /nfs/dbraw/zinc/95/00/15/407950015.db2.gz MPNHDMJFGRMUTM-IAGOWNOFSA-N 0 1 317.433 1.098 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000118859293 407957478 /nfs/dbraw/zinc/95/74/78/407957478.db2.gz RKKSPMPHPAZHEY-AWEZNQCLSA-N 0 1 302.422 1.462 10 0 DDAEMN CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262919777 407968430 /nfs/dbraw/zinc/96/84/30/407968430.db2.gz GRYSQGGXRGMWJF-OPRDCNLKSA-N 0 1 310.316 1.342 10 0 DDAEMN CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262919777 407968441 /nfs/dbraw/zinc/96/84/41/407968441.db2.gz GRYSQGGXRGMWJF-OPRDCNLKSA-N 0 1 310.316 1.342 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc3ccccn3c2)CCN1C[C@H](C)O ZINC000245416240 407971649 /nfs/dbraw/zinc/97/16/49/407971649.db2.gz DYTBIZRJULEWLY-HOCLYGCPSA-N 0 1 315.417 1.857 10 0 DDAEMN CC[C@H]1CN(Cc2nc([C@H](C)OC)no2)CCN1CCOC ZINC000245473597 407996344 /nfs/dbraw/zinc/99/63/44/407996344.db2.gz QCACUTNYWDSEEI-STQMWFEESA-N 0 1 312.414 1.320 10 0 DDAEMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263015833 408003799 /nfs/dbraw/zinc/00/37/99/408003799.db2.gz QHZMGHAOFSHPJB-CQSZACIVSA-N 0 1 324.375 1.159 10 0 DDAEMN COCC[C@](C)(O)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000174917020 408007264 /nfs/dbraw/zinc/00/72/64/408007264.db2.gz SNUDVRADILQUPV-RDJZCZTQSA-N 0 1 308.422 1.063 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1CC1(CN2[C@@H](C)COC[C@@H]2C)COC1 ZINC000119437435 408071051 /nfs/dbraw/zinc/07/10/51/408071051.db2.gz MRUPNRPTZKZAQC-YHUYYLMFSA-N 0 1 312.454 1.221 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1CCOCCN1[C@H](C)COC[C@@H]1C ZINC000149687939 408193552 /nfs/dbraw/zinc/19/35/52/408193552.db2.gz AZFJDAIILPPZJN-GEEKYZPCSA-N 0 1 300.443 1.221 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC(CC)(CC)C2)C1 ZINC000263444037 408141416 /nfs/dbraw/zinc/14/14/16/408141416.db2.gz FHVIPFMUQOZAHX-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN Cc1ccc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1F ZINC000263508672 408158825 /nfs/dbraw/zinc/15/88/25/408158825.db2.gz MSEHMTIKPJCVCQ-AWEZNQCLSA-N 0 1 310.369 1.351 10 0 DDAEMN CCOCCN1CCN(Cc2noc(COC)n2)C[C@@H]1CC ZINC000182441617 408159766 /nfs/dbraw/zinc/15/97/66/408159766.db2.gz OCDPDTURFVUYTD-ZDUSSCGKSA-N 0 1 312.414 1.149 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)NCc1ccccc1F ZINC000246198313 408173885 /nfs/dbraw/zinc/17/38/85/408173885.db2.gz NFDWUHNZADQRAX-HNNXBMFYSA-N 0 1 305.397 1.612 10 0 DDAEMN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000175740585 408191447 /nfs/dbraw/zinc/19/14/47/408191447.db2.gz KCECHEFBLZCBNG-VIFPVBQESA-N 0 1 304.350 1.760 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2csnn2)C1 ZINC000190489047 408259413 /nfs/dbraw/zinc/25/94/13/408259413.db2.gz HAGPMNXWIFNFED-CQSZACIVSA-N 0 1 303.435 1.887 10 0 DDAEMN CCCCc1noc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)n1 ZINC000246306848 408213118 /nfs/dbraw/zinc/21/31/18/408213118.db2.gz ABZCEMTWQKQWAR-KBPBESRZSA-N 0 1 310.442 1.689 10 0 DDAEMN CCC[C@H](C(=O)OCC)N1CCN(CCOC)[C@@H](CC)C1 ZINC000246696221 408320629 /nfs/dbraw/zinc/32/06/29/408320629.db2.gz JDHXRTCIFAOPRX-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOCCN1CCN([C@@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000246611018 408304365 /nfs/dbraw/zinc/30/43/65/408304365.db2.gz AMHBASHYMNXUPN-DOTOQJQBSA-N 0 1 320.433 1.943 10 0 DDAEMN CCOCCN1CCN(c2cncc(OCC)n2)C[C@H]1CC ZINC000131777230 162023257 /nfs/dbraw/zinc/02/32/57/162023257.db2.gz STZMFYZUMSQWER-CQSZACIVSA-N 0 1 308.426 1.812 10 0 DDAEMN COC[C@H](NC[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000183196731 408350770 /nfs/dbraw/zinc/35/07/70/408350770.db2.gz NTEXDNGEGUBCTA-WFASDCNBSA-N 0 1 300.349 1.573 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCC(c2cc[nH]n2)CC1 ZINC000139376901 162132912 /nfs/dbraw/zinc/13/29/12/162132912.db2.gz MBRVYXYSNJMTJS-UHFFFAOYSA-N 0 1 302.382 1.647 10 0 DDAEMN CN(CC(=O)N1CCN2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000170813866 162194080 /nfs/dbraw/zinc/19/40/80/162194080.db2.gz LSKYUJVJRNZTAF-ZDUSSCGKSA-N 0 1 311.426 1.550 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)COc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173528739 162345981 /nfs/dbraw/zinc/34/59/81/162345981.db2.gz LLQJYSFAMSBZOZ-CQSZACIVSA-N 0 1 316.361 1.400 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(Cl)nc3)CCO2)n[nH]1 ZINC000173600302 162351179 /nfs/dbraw/zinc/35/11/79/162351179.db2.gz HKJIQIGKMPDKTH-JTQLQIEISA-N 0 1 307.741 1.375 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CCN1C[C@@H](C)O ZINC000247018551 408387489 /nfs/dbraw/zinc/38/74/89/408387489.db2.gz COQRFTKCBUKZJA-BZUAXINKSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)N(C(C)C)C(C)C)CCO2)n[nH]1 ZINC000173677639 162355504 /nfs/dbraw/zinc/35/55/04/162355504.db2.gz GAIRLJXANJNMGI-ZDUSSCGKSA-N 0 1 309.414 1.132 10 0 DDAEMN Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000173733448 162360712 /nfs/dbraw/zinc/36/07/12/162360712.db2.gz MKPFLGMLBIROBP-CYBMUJFWSA-N 0 1 322.390 1.184 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000174096638 162391946 /nfs/dbraw/zinc/39/19/46/162391946.db2.gz NJTUCOIRZXTZMZ-UONOGXRCSA-N 0 1 322.796 1.873 10 0 DDAEMN Cc1c([C@@H](C)NCC(=O)N2CCOCC2)cnn1C(C)(C)C ZINC000191414714 408423118 /nfs/dbraw/zinc/42/31/18/408423118.db2.gz FVILNWHZVKDJSU-GFCCVEGCSA-N 0 1 308.426 1.456 10 0 DDAEMN COc1cccc(NC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247200090 408426152 /nfs/dbraw/zinc/42/61/52/408426152.db2.gz OWKZDRQNEGWHEP-KBPBESRZSA-N 0 1 321.421 1.021 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)cnc1Cl ZINC000247224327 408434113 /nfs/dbraw/zinc/43/41/13/408434113.db2.gz VUBUOTUUDAEJSD-NSHDSACASA-N 0 1 315.826 1.512 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cnc1Cl ZINC000247224327 408434118 /nfs/dbraw/zinc/43/41/18/408434118.db2.gz VUBUOTUUDAEJSD-NSHDSACASA-N 0 1 315.826 1.512 10 0 DDAEMN CC[C@H](COC)NC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247275719 408441418 /nfs/dbraw/zinc/44/14/18/408441418.db2.gz CPCOVAXDOOHGTK-KGLIPLIRSA-N 0 1 301.431 1.164 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccnn3C(C)C)CCO2)n[nH]1 ZINC000176967760 408487253 /nfs/dbraw/zinc/48/72/53/408487253.db2.gz ZNUXQJWCXAUSTE-NSHDSACASA-N 0 1 319.369 1.496 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248332306 408548222 /nfs/dbraw/zinc/54/82/22/408548222.db2.gz FGNPYVHIOVINIJ-KRWDZBQOSA-N 0 1 301.434 1.815 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)N1CCc2ccccc21)N(C)C ZINC000161928432 408652781 /nfs/dbraw/zinc/65/27/81/408652781.db2.gz KPVFGLBCNCRASZ-OAHLLOKOSA-N 0 1 303.406 1.422 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249541412 408739361 /nfs/dbraw/zinc/73/93/61/408739361.db2.gz FADRUSOMDRPIJB-QEJZJMRPSA-N 0 1 310.463 1.917 10 0 DDAEMN CCC(=O)N1CCCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195053375 408810462 /nfs/dbraw/zinc/81/04/62/408810462.db2.gz YDMJRRDYYXCESZ-CABCVRRESA-N 0 1 307.438 1.474 10 0 DDAEMN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195053375 408810464 /nfs/dbraw/zinc/81/04/64/408810464.db2.gz YDMJRRDYYXCESZ-CABCVRRESA-N 0 1 307.438 1.474 10 0 DDAEMN CC(C)[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1CCCC1=O ZINC000195188699 408815424 /nfs/dbraw/zinc/81/54/24/408815424.db2.gz OKQGBNZRIJJOBH-ZBFHGGJFSA-N 0 1 307.438 1.330 10 0 DDAEMN CC(C)n1cc([C@@]2(O)CCCN(Cc3cccnc3)C2)nn1 ZINC000285660047 408836875 /nfs/dbraw/zinc/83/68/75/408836875.db2.gz YIHJRHUUYXTFTP-MRXNPFEDSA-N 0 1 301.394 1.738 10 0 DDAEMN O=C(CNC(=O)c1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000195319777 163317665 /nfs/dbraw/zinc/31/76/65/163317665.db2.gz PEDRZMADRUQMAV-HNNXBMFYSA-N 0 1 301.390 1.113 10 0 DDAEMN Cc1cccc(NC[C@H]2CCN(Cc3nnnn3C(C)C)C2)n1 ZINC000195516351 163326940 /nfs/dbraw/zinc/32/69/40/163326940.db2.gz CIESXWXXKXKEHQ-CQSZACIVSA-N 0 1 315.425 1.891 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)N1CC[C@H](CNc2ccccn2)C1 ZINC000195515828 163327133 /nfs/dbraw/zinc/32/71/33/163327133.db2.gz DPSYGPSBUPDVFY-LSDHHAIUSA-N 0 1 304.438 1.976 10 0 DDAEMN CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(CO)o3)C2)nn1 ZINC000285595953 409501556 /nfs/dbraw/zinc/50/15/56/409501556.db2.gz UIKHPCCNWIEYOE-MRXNPFEDSA-N 0 1 320.393 1.428 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000174618624 287136732 /nfs/dbraw/zinc/13/67/32/287136732.db2.gz HOBOSRRERMDGLO-CZUORRHYSA-N 0 1 308.397 1.672 10 0 DDAEMN Cn1nncc1CN1CCC[C@@H](CC(=O)N2CCCC2)CC1 ZINC000299746689 410605573 /nfs/dbraw/zinc/60/55/73/410605573.db2.gz ZDCOFNITRSDHCM-CQSZACIVSA-N 0 1 305.426 1.430 10 0 DDAEMN COc1nccc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000297075137 226731251 /nfs/dbraw/zinc/73/12/51/226731251.db2.gz ZUMZIZFVWLEGJN-NSHDSACASA-N 0 1 310.398 1.830 10 0 DDAEMN CCN1CC[C@@H](NC(=O)c2nscc2Br)C1 ZINC000404722379 418772771 /nfs/dbraw/zinc/77/27/71/418772771.db2.gz VLMAWBGBDSGJSN-SSDOTTSWSA-N 0 1 304.213 1.730 10 0 DDAEMN CCC(CC)N1C[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)CC1=O ZINC000195247641 263538169 /nfs/dbraw/zinc/53/81/69/263538169.db2.gz ICTIBCIPOXNJAS-GOEBONIOSA-N 0 1 321.465 1.720 10 0 DDAEMN CN1CCN(C[C@@H](O)Cc2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000644933025 424055841 /nfs/dbraw/zinc/05/58/41/424055841.db2.gz JNSQBJYDYAUXDR-JKSUJKDBSA-N 0 1 300.406 1.302 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(F)cc1F ZINC000105932567 274250971 /nfs/dbraw/zinc/25/09/71/274250971.db2.gz GDIDPAASQTVHBW-PWSUYJOCSA-N 0 1 313.348 1.212 10 0 DDAEMN CC(C)[C@@H]1N(C(=O)N[C@H]2CCc3nc[nH]c3C2)C[C@@]12CCCO2 ZINC000333804952 280052713 /nfs/dbraw/zinc/05/27/13/280052713.db2.gz FBSZNGQHFVJNJX-NUTKFTJISA-N 0 1 318.421 1.866 10 0 DDAEMN Cc1ccc(F)cc1NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000105933103 281051542 /nfs/dbraw/zinc/05/15/42/281051542.db2.gz OMFFKIJFGUUBKA-TZMCWYRMSA-N 0 1 309.385 1.381 10 0 DDAEMN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1O ZINC000123838586 281178665 /nfs/dbraw/zinc/17/86/65/281178665.db2.gz WLPZEHIEZUSXCO-GFCCVEGCSA-N 0 1 316.336 1.720 10 0 DDAEMN Cc1ncc(/C=C/C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)s1 ZINC000246790594 282015721 /nfs/dbraw/zinc/01/57/21/282015721.db2.gz QOOBAFLAQQVEMD-XMXMHJJKSA-N 0 1 309.435 1.378 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCOC(C)C)CCN1CCOC ZINC000172321481 298245609 /nfs/dbraw/zinc/24/56/09/298245609.db2.gz RVPWHFQYOLAWMB-OAHLLOKOSA-N 0 1 315.458 1.554 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247109999 500654269 /nfs/dbraw/zinc/65/42/69/500654269.db2.gz IZABESOQVGLLLL-JYJNAYRXSA-N 0 1 313.486 1.458 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@H](O)CC)CC1 ZINC000106386845 696626775 /nfs/dbraw/zinc/62/67/75/696626775.db2.gz RXHWPXNWUFLVBE-GFCCVEGCSA-N 0 1 314.861 1.524 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000109954259 696639255 /nfs/dbraw/zinc/63/92/55/696639255.db2.gz XTWVQUQGJXVXKC-UONOGXRCSA-N 0 1 313.357 1.707 10 0 DDAEMN CCCCCCNC(=O)CN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247229973 698363704 /nfs/dbraw/zinc/36/37/04/698363704.db2.gz RFKXOKBBLCXXQI-JKSUJKDBSA-N 0 1 313.486 1.460 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)cc(C)c2)C1 ZINC000262703787 698478573 /nfs/dbraw/zinc/47/85/73/698478573.db2.gz IXMPVSCPKABKMB-UHFFFAOYSA-N 0 1 304.390 1.971 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccccc2)C1 ZINC000262823264 698481178 /nfs/dbraw/zinc/48/11/78/698481178.db2.gz QAHKFUHQSDJUMA-UHFFFAOYSA-N 0 1 304.390 1.673 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H](C)[C@@H]2C)C1 ZINC000262946123 698485121 /nfs/dbraw/zinc/48/51/21/698485121.db2.gz AGNROPSYBXZJKI-KBHBFKLGSA-N 0 1 311.426 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccc(F)cc2)C1 ZINC000263103245 698491523 /nfs/dbraw/zinc/49/15/23/698491523.db2.gz WOMJLJLGYDCDEX-UHFFFAOYSA-N 0 1 323.368 1.562 10 0 DDAEMN CC[C@H](CSC)NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263231268 698497350 /nfs/dbraw/zinc/49/73/50/698497350.db2.gz MKJFOHYOOGYYNY-VOMCLLRMSA-N 0 1 317.455 1.365 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CC23CCCC3)C1 ZINC000263447422 698507748 /nfs/dbraw/zinc/50/77/48/698507748.db2.gz GFASHBMMVXEJPW-BPCQOVAHSA-N 0 1 309.410 1.556 10 0 DDAEMN CCCCCS(=O)(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263508060 698510974 /nfs/dbraw/zinc/51/09/74/698510974.db2.gz WKJCOEMYIISRHT-UHFFFAOYSA-N 0 1 306.428 1.034 10 0 DDAEMN CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CC(C(=O)[O-])C2)n1 ZINC000263550956 698513450 /nfs/dbraw/zinc/51/34/50/698513450.db2.gz KWEIDXLJTSEJHB-GXTWGEPZSA-N 0 1 320.393 1.613 10 0 DDAEMN Cc1c[nH]c(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702763966 699232353 /nfs/dbraw/zinc/23/23/53/699232353.db2.gz OGWGZOWLXQLCFQ-RYUDHWBXSA-N 0 1 310.398 1.036 10 0 DDAEMN CO[C@@H]1CCN([C@H]2CCC[C@H]2NS(=O)(=O)c2ccccc2)C1 ZINC000886079354 708694257 /nfs/dbraw/zinc/69/42/57/708694257.db2.gz IOXAEPTVMDVANN-BMFZPTHFSA-N 0 1 324.446 1.607 10 0 DDAEMN CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000900082557 709283200 /nfs/dbraw/zinc/28/32/00/709283200.db2.gz AWYZTXAHBHEGQU-SBFPOUOMSA-N 0 1 308.344 1.679 10 0 DDAEMN CC(C)CS(=O)(=O)C[C@H](N)c1ccc2c(c1)OCCCO2 ZINC000081929018 192340735 /nfs/dbraw/zinc/34/07/35/192340735.db2.gz WADMKFGTQIIGDZ-ZDUSSCGKSA-N 0 1 313.419 1.919 10 0 DDAEMN O=C(CSc1ccc(Br)cn1)N1CCNCC1 ZINC000079446503 185172073 /nfs/dbraw/zinc/17/20/73/185172073.db2.gz CZBKBRWAQYFHFT-UHFFFAOYSA-N 0 1 316.224 1.368 10 0 DDAEMN Cc1ccc(Br)cc1C(=O)N[C@@H](C)c1nn[nH]n1 ZINC000087743965 185231138 /nfs/dbraw/zinc/23/11/38/185231138.db2.gz LSTABJNQAXJKRB-ZETCQYMHSA-N 0 1 310.155 1.762 10 0 DDAEMN CC[C@@H](C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895617 185235451 /nfs/dbraw/zinc/23/54/51/185235451.db2.gz NDEPKKSLVMZTDW-SECBINFHSA-N 0 1 316.427 1.299 10 0 DDAEMN COCCN(CCOC)Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832495 185232382 /nfs/dbraw/zinc/23/23/82/185232382.db2.gz DAFTWOXAXNNKFK-UHFFFAOYSA-N 0 1 312.435 1.424 10 0 DDAEMN COC(=O)CCS(=O)(=O)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000081974443 192348079 /nfs/dbraw/zinc/34/80/79/192348079.db2.gz LFJARPSEQDBNPA-CQSZACIVSA-N 0 1 313.419 1.788 10 0 DDAEMN CCCOc1ccc([C@H](N)CS(=O)(=O)CC(=O)OC)cc1 ZINC000081976257 192348221 /nfs/dbraw/zinc/34/82/21/192348221.db2.gz ISQLCBAPUCACSS-CYBMUJFWSA-N 0 1 315.391 1.063 10 0 DDAEMN NCc1nnnn1-c1cc(Br)cc(C(F)(F)F)c1 ZINC000088188544 185241199 /nfs/dbraw/zinc/24/11/99/185241199.db2.gz SFHOMKHYRQLTQD-UHFFFAOYSA-N 0 1 322.088 1.902 10 0 DDAEMN C[C@@H](C(N)=S)S(=O)(=O)Nc1ccccc1OC(F)F ZINC000088487621 185253470 /nfs/dbraw/zinc/25/34/70/185253470.db2.gz CABQNGNDJCRHAZ-LURJTMIESA-N 0 1 310.347 1.704 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N(CCOC)CC(C)C)o1 ZINC000088544120 185256895 /nfs/dbraw/zinc/25/68/95/185256895.db2.gz XJEXBIWWIHKCLP-UHFFFAOYSA-N 0 1 304.412 1.292 10 0 DDAEMN COCCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000081985716 192349782 /nfs/dbraw/zinc/34/97/82/192349782.db2.gz BJUAPIIYFAVTFW-HUUCEWRRSA-N 0 1 313.419 1.461 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000088893625 185269907 /nfs/dbraw/zinc/26/99/07/185269907.db2.gz PSNHHMAYOZOLDG-NWDGAFQWSA-N 0 1 307.375 1.045 10 0 DDAEMN CNS(=O)(=O)c1ccc(CNC[C@@](C)(O)CC(C)C)o1 ZINC000090267506 185288457 /nfs/dbraw/zinc/28/84/57/185288457.db2.gz KRWMKBIITBPPCG-ZDUSSCGKSA-N 0 1 304.412 1.074 10 0 DDAEMN CCc1nn(C)c(Cn2cc(CNC)nn2)c1Br ZINC000090295463 185289945 /nfs/dbraw/zinc/28/99/45/185289945.db2.gz LUNKVNZQMNFLTI-UHFFFAOYSA-N 0 1 313.203 1.104 10 0 DDAEMN O=C(NCc1cc2c(s1)CCC2)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092781200 185340224 /nfs/dbraw/zinc/34/02/24/185340224.db2.gz DBRQQUHEBWFIJP-LBPRGKRZSA-N 0 1 302.403 1.291 10 0 DDAEMN Cc1nc(C)c([C@@H](C)NC(=O)[C@H]2Cc3nc[nH]c3CN2)s1 ZINC000092781192 185340402 /nfs/dbraw/zinc/34/04/02/185340402.db2.gz HANARNZLMHCFKJ-LDYMZIIASA-N 0 1 305.407 1.375 10 0 DDAEMN O=C(Nc1ccc(Br)cc1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092779561 185340532 /nfs/dbraw/zinc/34/05/32/185340532.db2.gz NPAMWKRUMBKWCS-LLVKDONJSA-N 0 1 321.178 1.825 10 0 DDAEMN COc1ccc2c(c1)[C@H](N)[C@@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859303 185346912 /nfs/dbraw/zinc/34/69/12/185346912.db2.gz DBWGFOANEJOQTE-GJZGRUSLSA-N 0 1 311.403 1.214 10 0 DDAEMN CN[C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCCOC ZINC000092911529 185348476 /nfs/dbraw/zinc/34/84/76/185348476.db2.gz MJPDQFLFSRQVCU-GJZGRUSLSA-N 0 1 313.419 1.332 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cccnc2)CCN1C[C@H](C)O ZINC000255577161 282267205 /nfs/dbraw/zinc/26/72/05/282267205.db2.gz WPLUIXKALJKSON-BYRFQNSZSA-N 0 1 303.406 1.398 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2cccc(F)c2)C[C@@H]1C ZINC000255587477 282267502 /nfs/dbraw/zinc/26/75/02/282267502.db2.gz GCBOBXQJSVLVSL-KFBXHMBNSA-N 0 1 306.381 1.752 10 0 DDAEMN CCc1nc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)n[nH]1 ZINC000181692672 199339312 /nfs/dbraw/zinc/33/93/12/199339312.db2.gz JTZVIDUCVIZXKV-CYBMUJFWSA-N 0 1 304.398 1.081 10 0 DDAEMN CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CO[C@@]12C[NH+]1CCC2CC1 ZINC000669379572 539561403 /nfs/dbraw/zinc/56/14/03/539561403.db2.gz FQOYHAOULCCFKT-XHDPSFHLSA-N 0 1 312.366 1.129 10 0 DDAEMN Cc1ccc(C(=O)[C@H](CC(=O)[O-])[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000071660816 191000772 /nfs/dbraw/zinc/00/07/72/191000772.db2.gz CJZGDNZVFITZEH-AWEZNQCLSA-N 0 1 318.373 1.218 10 0 DDAEMN CC(=O)NCC[NH2+][C@@H](CC(=O)[O-])C(=O)c1ccc(C(C)C)cc1 ZINC000071660957 191000977 /nfs/dbraw/zinc/00/09/77/191000977.db2.gz SDCNWVNHYRSFEL-HNNXBMFYSA-N 0 1 320.389 1.562 10 0 DDAEMN Cn1ccc(C(=O)N2CCCC[C@@H]2c2cc(CCO)[nH]n2)n1 ZINC000072385784 191143655 /nfs/dbraw/zinc/14/36/55/191143655.db2.gz KWCQGIKYNJQISD-CQSZACIVSA-N 0 1 303.366 1.045 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](C)C1 ZINC000173883634 198264302 /nfs/dbraw/zinc/26/43/02/198264302.db2.gz WONBBFRFHORZEB-AAEUAGOBSA-N 0 1 300.399 1.833 10 0 DDAEMN CN[C@@H](C)c1csc(N2CCN(c3ncccn3)CC2)n1 ZINC000080804555 192193116 /nfs/dbraw/zinc/19/31/16/192193116.db2.gz ZRMIJHNZWPMPOF-NSHDSACASA-N 0 1 304.423 1.540 10 0 DDAEMN Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n[nH]1 ZINC000081342538 192252826 /nfs/dbraw/zinc/25/28/26/192252826.db2.gz QXPQXFBEQINRMT-NSHDSACASA-N 0 1 308.382 1.847 10 0 DDAEMN COC(=O)CCNC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180725202 199202032 /nfs/dbraw/zinc/20/20/32/199202032.db2.gz GXRHCTHQTPJLQB-SECBINFHSA-N 0 1 316.760 1.809 10 0 DDAEMN CC(C)c1nnc2n1C[C@@H](NCc1c(Cl)cnn1C)CC2 ZINC000189109830 200349793 /nfs/dbraw/zinc/34/97/93/200349793.db2.gz BGTWLRVNQLAGQP-JTQLQIEISA-N 0 1 308.817 1.893 10 0 DDAEMN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000174344167 284022309 /nfs/dbraw/zinc/02/23/09/284022309.db2.gz KSAUDMXDKCWVFI-RRFJBIMHSA-N 0 1 308.422 1.663 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853728 193319613 /nfs/dbraw/zinc/31/96/13/193319613.db2.gz LXVHIYMPFPNTPX-PRHODGIISA-N 0 1 316.452 1.509 10 0 DDAEMN CCn1nc(C)c(Cl)c1C[C@H](O)[C@H]1CN(C)CCN1C ZINC000093893740 193323720 /nfs/dbraw/zinc/32/37/20/193323720.db2.gz XGUZPCHGYOFFPE-OLZOCXBDSA-N 0 1 300.834 1.014 10 0 DDAEMN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC[N@H+]1C ZINC000094338059 193361547 /nfs/dbraw/zinc/36/15/47/193361547.db2.gz DNOACORDPDJPCQ-QMMMGPOBSA-N 0 1 303.284 1.939 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2cc(N)cc(F)c2C)C1 ZINC000094360171 193365214 /nfs/dbraw/zinc/36/52/14/193365214.db2.gz KGSYWAXNXIPMLD-GFCCVEGCSA-N 0 1 315.414 1.479 10 0 DDAEMN Cc1ccccc1CCNS(=O)(=O)c1ccnc(NN)c1 ZINC000094186204 193347679 /nfs/dbraw/zinc/34/76/79/193347679.db2.gz QKAMWSKGOMMCML-UHFFFAOYSA-N 0 1 306.391 1.197 10 0 DDAEMN COC(=O)C[C@@H]1CCCCN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094643605 193389588 /nfs/dbraw/zinc/38/95/88/193389588.db2.gz OGUKNASQYZUAHE-RDBSUJKOSA-N 0 1 317.451 1.760 10 0 DDAEMN C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000094442260 193369480 /nfs/dbraw/zinc/36/94/80/193369480.db2.gz FQJJELKVVXJIFQ-TUAOUCFPSA-N 0 1 313.423 1.125 10 0 DDAEMN CCN[C@@H](c1cc(Cl)ccc1OC)[C@@H]1CN2CCN1CC2 ZINC000094510024 193376238 /nfs/dbraw/zinc/37/62/38/193376238.db2.gz VYGRQQGSWMZQCQ-HOCLYGCPSA-N 0 1 309.841 1.999 10 0 DDAEMN CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(CN)o1 ZINC000094566859 193380523 /nfs/dbraw/zinc/38/05/23/193380523.db2.gz AEBCWIOQFHYUQY-UHFFFAOYSA-N 0 1 309.347 1.362 10 0 DDAEMN CCCN1CCN(CC(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000021019396 182261514 /nfs/dbraw/zinc/26/15/14/182261514.db2.gz OMGGXNHZJGTFDL-UHFFFAOYSA-N 0 1 310.829 1.888 10 0 DDAEMN CCOc1ccc(Br)cc1[C@H](N)COCC(N)=O ZINC000041072188 183163403 /nfs/dbraw/zinc/16/34/03/183163403.db2.gz LFRYEACWKWEASU-SNVBAGLBSA-N 0 1 317.183 1.350 10 0 DDAEMN CC(=O)NCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000041309012 183185298 /nfs/dbraw/zinc/18/52/98/183185298.db2.gz RBJMJCFNZPOSER-AWEZNQCLSA-N 0 1 311.813 1.585 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cccc([C@@H](C)O)c1 ZINC000041684817 183216818 /nfs/dbraw/zinc/21/68/18/183216818.db2.gz SQAOKFLYYOQUBN-CYBMUJFWSA-N 0 1 314.451 1.702 10 0 DDAEMN C[C@H](C[N@@H+](C)CC(=O)NCCSc1ccccc1)C(=O)[O-] ZINC000042706881 183299326 /nfs/dbraw/zinc/29/93/26/183299326.db2.gz NKHRKLJZUIWAQE-GFCCVEGCSA-N 0 1 310.419 1.547 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(N)cc1F ZINC000043592807 183374695 /nfs/dbraw/zinc/37/46/95/183374695.db2.gz WHLPWZJHRJBNIG-UHFFFAOYSA-N 0 1 317.430 1.616 10 0 DDAEMN CC[C@H]1CN(CC(=O)NCCC(C)(C)C)CCN1CCOC ZINC000105837143 194144407 /nfs/dbraw/zinc/14/44/07/194144407.db2.gz RGKRRRHMTSUWGA-HNNXBMFYSA-N 0 1 313.486 1.581 10 0 DDAEMN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886653 194158065 /nfs/dbraw/zinc/15/80/65/194158065.db2.gz CDXQHKMVDACELM-CYBMUJFWSA-N 0 1 321.425 1.218 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000105902955 194166081 /nfs/dbraw/zinc/16/60/81/194166081.db2.gz BJDCOKZIGIMKRU-SJORKVTESA-N 0 1 322.449 1.387 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1CCOC ZINC000105914599 194169573 /nfs/dbraw/zinc/16/95/73/194169573.db2.gz UERSYIHEFUHJMA-OAHLLOKOSA-N 0 1 323.437 1.281 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCN1CCOC ZINC000105914489 194170104 /nfs/dbraw/zinc/17/01/04/194170104.db2.gz AQHMFYUKOGGHIJ-HOTGVXAUSA-N 0 1 311.470 1.430 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1C ZINC000105932819 194173555 /nfs/dbraw/zinc/17/35/55/194173555.db2.gz WRFYWCPHGOWEPJ-GOEBONIOSA-N 0 1 305.422 1.551 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000105932733 194173647 /nfs/dbraw/zinc/17/36/47/194173647.db2.gz BVANXKADGWRJJC-GJZGRUSLSA-N 0 1 305.422 1.551 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCC1CC1 ZINC000106461629 194217786 /nfs/dbraw/zinc/21/77/86/194217786.db2.gz PCPYFUDESXEQCH-HNNXBMFYSA-N 0 1 304.390 1.229 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)CCOCC)CC1 ZINC000109464712 194265637 /nfs/dbraw/zinc/26/56/37/194265637.db2.gz HAUYTYXFEDKEFY-GFCCVEGCSA-N 0 1 301.456 1.012 10 0 DDAEMN CCN1CCC[C@H]1CNS(=O)(=O)c1cnccc1Cl ZINC000059818198 184140995 /nfs/dbraw/zinc/14/09/95/184140995.db2.gz XIOPSANMDWNOAT-JTQLQIEISA-N 0 1 303.815 1.498 10 0 DDAEMN Cc1cc(N)c(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cc1C ZINC000061642476 184180351 /nfs/dbraw/zinc/18/03/51/184180351.db2.gz GHZZJGWYUUJZBB-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cc(N)c1C ZINC000061642497 184180527 /nfs/dbraw/zinc/18/05/27/184180527.db2.gz YQPMVCILDLFCDS-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)NCCN(C)C2CC2)cc1Cl ZINC000061992568 184200728 /nfs/dbraw/zinc/20/07/28/184200728.db2.gz QTYBZJDNKXNERE-UHFFFAOYSA-N 0 1 317.842 1.603 10 0 DDAEMN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc3c(c2)OCO3)O1 ZINC000248046276 257110010 /nfs/dbraw/zinc/11/00/10/257110010.db2.gz WORDFVWBRFMPCC-IOASZLSFSA-N 0 1 318.373 1.235 10 0 DDAEMN CCOCCN1CCN([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1CC ZINC000175190827 286090287 /nfs/dbraw/zinc/09/02/87/286090287.db2.gz UGKFLYVZPKGWSO-HOTGVXAUSA-N 0 1 313.486 1.674 10 0 DDAEMN CCOc1ccc2nc(NS(=O)(=O)N(C)C)sc2c1 ZINC000006845471 406740962 /nfs/dbraw/zinc/74/09/62/406740962.db2.gz STQAUVLYEWGIOF-UHFFFAOYSA-N 0 1 301.393 1.913 10 0 DDAEMN O=S(=O)([N-]C[C@H]1CCCC[NH2+]1)c1nc2ccccc2s1 ZINC000095073326 407206391 /nfs/dbraw/zinc/20/63/91/407206391.db2.gz WSKXWWPAAWJKRF-SNVBAGLBSA-N 0 1 311.432 1.717 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(F)cc1O)CC2 ZINC000123816797 407339484 /nfs/dbraw/zinc/33/94/84/407339484.db2.gz GDSGFFIHPNQZJC-SNVBAGLBSA-N 0 1 304.325 1.430 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC(C)CC2)CC[N@H+]1CCOC ZINC000105836206 407355660 /nfs/dbraw/zinc/35/56/60/407355660.db2.gz FCLQGSBBZOPKPX-MRXNPFEDSA-N 0 1 311.470 1.288 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC(C)CC2)CCN1CCOC ZINC000105836206 407355662 /nfs/dbraw/zinc/35/56/62/407355662.db2.gz FCLQGSBBZOPKPX-MRXNPFEDSA-N 0 1 311.470 1.288 10 0 DDAEMN C[C@@H]1CCCCN1C(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105920142 407357257 /nfs/dbraw/zinc/35/72/57/407357257.db2.gz PQHWCYKGACPBEJ-OAHLLOKOSA-N 0 1 304.438 1.996 10 0 DDAEMN CCOCCN1CCN(CC(=O)NCC2CCC2)C[C@@H]1CC ZINC000108867498 407391406 /nfs/dbraw/zinc/39/14/06/407391406.db2.gz FBGHYWSPGAOQSY-INIZCTEOSA-N 0 1 311.470 1.335 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000125723226 407396537 /nfs/dbraw/zinc/39/65/37/407396537.db2.gz PITGYZFWLAMSQV-LBPRGKRZSA-N 0 1 304.394 1.703 10 0 DDAEMN CCc1nccn1[C@H]1CCCN(CCNS(=O)(=O)CC)C1 ZINC000109329482 407397010 /nfs/dbraw/zinc/39/70/10/407397010.db2.gz APUYCMAAACUNGJ-ZDUSSCGKSA-N 0 1 314.455 1.022 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CCn1cccn1 ZINC000111646023 407413394 /nfs/dbraw/zinc/41/33/94/407413394.db2.gz DWGLWPOMZNEMFZ-MRXNPFEDSA-N 0 1 300.406 1.514 10 0 DDAEMN COc1ccccc1CN(C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000111684363 407414343 /nfs/dbraw/zinc/41/43/43/407414343.db2.gz WHBYRUMGCBESPY-MRXNPFEDSA-N 0 1 318.417 1.643 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)CSC[C@@H]2CCCCO2)C1 ZINC000171189688 407619772 /nfs/dbraw/zinc/61/97/72/407619772.db2.gz IPZKMDHRYYKQIV-KBPBESRZSA-N 0 1 300.468 1.889 10 0 DDAEMN CCN1CCC[C@H](NC(=O)CSC[C@@H]2CCCCO2)C1 ZINC000171189688 407619778 /nfs/dbraw/zinc/61/97/78/407619778.db2.gz IPZKMDHRYYKQIV-KBPBESRZSA-N 0 1 300.468 1.889 10 0 DDAEMN CCN(CC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)C1CC1 ZINC000152432757 407633692 /nfs/dbraw/zinc/63/36/92/407633692.db2.gz SGZKRZOIEOVBJY-LBPRGKRZSA-N 0 1 321.425 1.068 10 0 DDAEMN CCOCCOc1cc(C)ccc1CNC(=O)[C@H](N)COC ZINC000262168514 407756999 /nfs/dbraw/zinc/75/69/99/407756999.db2.gz ANIBAVMOKBSHPA-CQSZACIVSA-N 0 1 310.394 1.000 10 0 DDAEMN CCc1ccc2c(CN3C[C@@H](O)C[C@@H]3CO)cc(=O)oc2c1 ZINC000179185253 407750009 /nfs/dbraw/zinc/75/00/09/407750009.db2.gz OPKVITLJFAXYRZ-KGLIPLIRSA-N 0 1 303.358 1.283 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000236727142 407762128 /nfs/dbraw/zinc/76/21/28/407762128.db2.gz CPCFRSMNKZDYSS-HOCLYGCPSA-N 0 1 303.406 1.594 10 0 DDAEMN COC[C@@H](N)C(=O)NCCOc1ccccc1C(F)(F)F ZINC000262329306 407799626 /nfs/dbraw/zinc/79/96/26/407799626.db2.gz RKMJYJQUPMFZBM-SNVBAGLBSA-N 0 1 306.284 1.174 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000262339809 407803599 /nfs/dbraw/zinc/80/35/99/407803599.db2.gz SQVLBFWEZKNDHY-AWEZNQCLSA-N 0 1 306.410 1.052 10 0 DDAEMN CCCN(C(=O)[C@H](N)COC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262345585 407807376 /nfs/dbraw/zinc/80/73/76/407807376.db2.gz FXAMALXQUIPJPF-GXTWGEPZSA-N 0 1 307.394 1.226 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000262374675 407817557 /nfs/dbraw/zinc/81/75/57/407817557.db2.gz XCHVQKCBLJXFGY-ZETCQYMHSA-N 0 1 303.240 1.759 10 0 DDAEMN COc1cc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc(OC)c1 ZINC000180110306 407856362 /nfs/dbraw/zinc/85/63/62/407856362.db2.gz RDQXKHMLRRCGNR-OAHLLOKOSA-N 0 1 318.377 1.704 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(F)cc(F)c2)C1 ZINC000262689736 407902422 /nfs/dbraw/zinc/90/24/22/407902422.db2.gz BYYDYKVVVQHGBB-UHFFFAOYSA-N 0 1 312.316 1.632 10 0 DDAEMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173991277 407909719 /nfs/dbraw/zinc/90/97/19/407909719.db2.gz CQLPNLJKEASGGK-IXDOHACOSA-N 0 1 323.481 1.430 10 0 DDAEMN CN(C(=O)N1CCC([N@@H+](C)CC(=O)[O-])CC1)C1CCCCC1 ZINC000262813067 407942705 /nfs/dbraw/zinc/94/27/05/407942705.db2.gz UYMOPQXVRHBUHU-UHFFFAOYSA-N 0 1 311.426 1.852 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)CN1CCC(C)CC1)CC2 ZINC000119106818 407995809 /nfs/dbraw/zinc/99/58/09/407995809.db2.gz CVELUUBKGQTWFB-ZDUSSCGKSA-N 0 1 305.426 1.003 10 0 DDAEMN C[C@@H](C(=O)[O-])[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000263349835 408114378 /nfs/dbraw/zinc/11/43/78/408114378.db2.gz PBWUUITZQXHSAB-NSHDSACASA-N 0 1 316.357 1.610 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N[C@H](C)C(=O)[O-])n1 ZINC000263403724 408130195 /nfs/dbraw/zinc/13/01/95/408130195.db2.gz JYYDJJMESPLMDI-WZRBSPASSA-N 0 1 308.382 1.977 10 0 DDAEMN CC(C)C[C@H](Nc1nc(N[C@@H]2CCCOC2)cc[nH+]1)C(=O)[O-] ZINC000263433560 408138691 /nfs/dbraw/zinc/13/86/91/408138691.db2.gz ULWARQHBPBHOQU-NEPJUHHUSA-N 0 1 308.382 1.979 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC(C)(C)[C@H]2C2CC2)C1 ZINC000263446185 408141000 /nfs/dbraw/zinc/14/10/00/408141000.db2.gz FXVJBXBTQWWFOU-SSDMNJCBSA-N 0 1 323.437 1.754 10 0 DDAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176241409 408320646 /nfs/dbraw/zinc/32/06/46/408320646.db2.gz QGNKOLURFFQGGW-GFCCVEGCSA-N 0 1 318.421 1.296 10 0 DDAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176241409 408320651 /nfs/dbraw/zinc/32/06/51/408320651.db2.gz QGNKOLURFFQGGW-GFCCVEGCSA-N 0 1 318.421 1.296 10 0 DDAEMN Cc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)o1 ZINC000151161487 408267931 /nfs/dbraw/zinc/26/79/31/408267931.db2.gz DVBVJJZPMLJVBC-CYBMUJFWSA-N 0 1 309.410 1.747 10 0 DDAEMN CCOC(=O)CCCCN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000132980783 162049736 /nfs/dbraw/zinc/04/97/36/162049736.db2.gz BMHJSSWDYGDUAK-HNNXBMFYSA-N 0 1 309.410 1.626 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)CC(C)C)CCO2)n[nH]1 ZINC000133313172 162056005 /nfs/dbraw/zinc/05/60/05/162056005.db2.gz UQUCTPPAVFATEW-VXGBXAGGSA-N 0 1 309.414 1.885 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2cccs2)CCN1C[C@H](C)O ZINC000246821161 408348339 /nfs/dbraw/zinc/34/83/39/408348339.db2.gz LGMCBKXYKMOREU-UONOGXRCSA-N 0 1 310.463 1.984 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3cscn3)CCO2)n[nH]1 ZINC000138067204 162129438 /nfs/dbraw/zinc/12/94/38/162129438.db2.gz AYQRQVVMZIHVIO-JTQLQIEISA-N 0 1 322.394 1.107 10 0 DDAEMN O=S(=O)(c1cccc2ncccc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770363 162241330 /nfs/dbraw/zinc/24/13/30/162241330.db2.gz CGOAYHKJKSMAAH-CYBMUJFWSA-N 0 1 317.414 1.704 10 0 DDAEMN O=S(=O)(c1cccc2ncccc21)N1CCN2CCC[C@@H]2C1 ZINC000171770363 162241335 /nfs/dbraw/zinc/24/13/35/162241335.db2.gz CGOAYHKJKSMAAH-CYBMUJFWSA-N 0 1 317.414 1.704 10 0 DDAEMN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccs1 ZINC000246998516 408384310 /nfs/dbraw/zinc/38/43/10/408384310.db2.gz NSBDDCNUDIXYFO-NEPJUHHUSA-N 0 1 300.449 1.995 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(Cl)cn3C)CCO2)n[nH]1 ZINC000173532491 162345856 /nfs/dbraw/zinc/34/58/56/162345856.db2.gz CXMOJBARSSXCBG-NSHDSACASA-N 0 1 309.757 1.319 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc(Cl)n3)CCO2)n[nH]1 ZINC000173600108 162351482 /nfs/dbraw/zinc/35/14/82/162351482.db2.gz BLLFJLFPPSMASG-JTQLQIEISA-N 0 1 307.741 1.375 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cccc4nccn43)CCO2)n[nH]1 ZINC000183415766 408405275 /nfs/dbraw/zinc/40/52/75/408405275.db2.gz SCFLXKOHPUHKCF-CYBMUJFWSA-N 0 1 312.377 1.588 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H]1C ZINC000247097364 408406159 /nfs/dbraw/zinc/40/61/59/408406159.db2.gz HXYKPCLSACHYHS-RYUDHWBXSA-N 0 1 322.434 1.685 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C)c2ccccc2)CCN1C[C@H](C)O ZINC000247095388 408407549 /nfs/dbraw/zinc/40/75/49/408407549.db2.gz HXLAMDSJZWAXPY-JKSUJKDBSA-N 0 1 319.449 1.426 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)OC)o2)C[C@H]1C ZINC000247113478 408408500 /nfs/dbraw/zinc/40/85/00/408408500.db2.gz JCIAGOZCGONCFJ-CYBMUJFWSA-N 0 1 310.394 1.609 10 0 DDAEMN C[C@H](O)CN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)C[C@H]1C ZINC000247112917 408409571 /nfs/dbraw/zinc/40/95/71/408409571.db2.gz JBFBYFZLBCEHLQ-HLLBOEOZSA-N 0 1 319.449 1.203 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247108756 408409626 /nfs/dbraw/zinc/40/96/26/408409626.db2.gz IUVYMRPRSLHFJK-LSDHHAIUSA-N 0 1 307.442 1.541 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC000247140563 408415165 /nfs/dbraw/zinc/41/51/65/408415165.db2.gz KYKZVSFOHCHXDB-GJZGRUSLSA-N 0 1 311.470 1.164 10 0 DDAEMN CCCCc1nc(CN2CCN(CCOCC)[C@@H](C)C2)no1 ZINC000247246199 408435130 /nfs/dbraw/zinc/43/51/30/408435130.db2.gz SUWVQWNMGLLJCP-AWEZNQCLSA-N 0 1 310.442 1.955 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000183688358 408469591 /nfs/dbraw/zinc/46/95/91/408469591.db2.gz UZBGCGGMMPIGKW-UHFFFAOYSA-N 0 1 313.405 1.901 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(C[C@@H](O)CC)CC1 ZINC000184119176 408551322 /nfs/dbraw/zinc/55/13/22/408551322.db2.gz YCFUZTREOOGYSJ-ZDUSSCGKSA-N 0 1 307.394 1.151 10 0 DDAEMN C[N@H+](CCN1CCC[C@@H](OCCO)C1)Cc1ccc(F)cc1 ZINC000248559508 408588005 /nfs/dbraw/zinc/58/80/05/408588005.db2.gz MDUBXTHZDIIBCS-QGZVFWFLSA-N 0 1 310.413 1.731 10 0 DDAEMN CCNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248639150 408604870 /nfs/dbraw/zinc/60/48/70/408604870.db2.gz YVRACACHEVZOIM-AVGNSLFASA-N 0 1 311.426 1.358 10 0 DDAEMN CC(C)N1CC[C@H](N2C[C@H](CO)[C@@H](c3ccsc3)C2)C1=O ZINC000249558599 408743842 /nfs/dbraw/zinc/74/38/42/408743842.db2.gz KVGZVGGBPBEHQH-KFWWJZLASA-N 0 1 308.447 1.765 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCCCOC)CCN1C[C@@H](C)O ZINC000184984221 408729651 /nfs/dbraw/zinc/72/96/51/408729651.db2.gz RNXDKESUIWQKKT-HUUCEWRRSA-N 0 1 315.458 1.290 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)N(C)C ZINC000162374447 408693460 /nfs/dbraw/zinc/69/34/60/408693460.db2.gz LVXUODCYHYTXJC-LBPRGKRZSA-N 0 1 305.378 1.711 10 0 DDAEMN COCC(=O)NC1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000185280401 408791471 /nfs/dbraw/zinc/79/14/71/408791471.db2.gz AECWHCLFIHUNOT-UHFFFAOYSA-N 0 1 320.393 1.044 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000252466392 408795064 /nfs/dbraw/zinc/79/50/64/408795064.db2.gz YIPQHLBPPGRSHE-IINYFYTJSA-N 0 1 318.389 1.972 10 0 DDAEMN CSc1ccccc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000187194187 163009213 /nfs/dbraw/zinc/00/92/13/163009213.db2.gz HYKSGEHSPVUPLD-GFCCVEGCSA-N 0 1 312.460 1.877 10 0 DDAEMN O=C(Cc1ccccc1)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195088843 163306264 /nfs/dbraw/zinc/30/62/64/163306264.db2.gz KZWPUGGFCXRDTB-MRXNPFEDSA-N 0 1 315.417 1.042 10 0 DDAEMN CC(C)c1nnc2n1C[C@@H](N[C@@H](C(N)=O)c1ccccc1)CC2 ZINC000195402481 163319976 /nfs/dbraw/zinc/31/99/76/163319976.db2.gz YRVAEFITZMWOOM-DZGCQCFKSA-N 0 1 313.405 1.533 10 0 DDAEMN O=C([O-])C[C@H]1C[N@@H+](Cc2cc(C3CC3)on2)C[C@H]1c1c[nH]nn1 ZINC000299776690 410621033 /nfs/dbraw/zinc/62/10/33/410621033.db2.gz KMECBUHIKODQAY-CMPLNLGQSA-N 0 1 317.349 1.360 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)NCc2cscc2C)C1 ZINC000579988342 422870018 /nfs/dbraw/zinc/87/00/18/422870018.db2.gz YHEMXGCFHYWQPL-NEPJUHHUSA-N 0 1 321.406 1.846 10 0 DDAEMN COc1cccc(OCCN2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000583618002 422200599 /nfs/dbraw/zinc/20/05/99/422200599.db2.gz SHQLYNXABZRLFD-MRXNPFEDSA-N 0 1 318.377 1.176 10 0 DDAEMN CC(C)COCCN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617967 422200777 /nfs/dbraw/zinc/20/07/77/422200777.db2.gz ONUJEGQGXWKUSW-INIZCTEOSA-N 0 1 310.442 1.815 10 0 DDAEMN Cn1c2ccccc2nc1CN1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617422 422201053 /nfs/dbraw/zinc/20/10/53/422201053.db2.gz KLYHNTKFNUSPOV-INIZCTEOSA-N 0 1 312.377 1.175 10 0 DDAEMN O=C(CCc1ccc(F)cc1)N1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617670 422201500 /nfs/dbraw/zinc/20/15/00/422201500.db2.gz CSDQYAMIEDITGS-INIZCTEOSA-N 0 1 318.352 1.387 10 0 DDAEMN O=C(C=C(C1CC1)C1CC1)N1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617728 422201913 /nfs/dbraw/zinc/20/19/13/422201913.db2.gz JLTVBBXKPYSYLG-MRXNPFEDSA-N 0 1 302.378 1.361 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000583617861 422201942 /nfs/dbraw/zinc/20/19/42/422201942.db2.gz AJOYXCFNFLSAQD-INIZCTEOSA-N 0 1 316.409 1.600 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)N2CC=CCC2)[N@@H+]1Cc1ccccc1 ZINC000630662714 422249126 /nfs/dbraw/zinc/24/91/26/422249126.db2.gz FUCMDACBMONOTH-HZPDHXFCSA-N 0 1 314.385 1.893 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)N2CC=CCC2)[N@H+]1Cc1ccccc1 ZINC000630662714 422249134 /nfs/dbraw/zinc/24/91/34/422249134.db2.gz FUCMDACBMONOTH-HZPDHXFCSA-N 0 1 314.385 1.893 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@H](n2ccc(N)n2)C1 ZINC000616620898 422516663 /nfs/dbraw/zinc/51/66/63/422516663.db2.gz NKSOUEDMBRSHIU-LBPRGKRZSA-N 0 1 309.414 1.627 10 0 DDAEMN O[C@H](COCc1ccccc1)CN1CCO[C@H](C(F)F)CC1 ZINC000634750782 422618205 /nfs/dbraw/zinc/61/82/05/422618205.db2.gz DVPXMAPHWRLQNK-GJZGRUSLSA-N 0 1 315.360 1.920 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000123343186 281169847 /nfs/dbraw/zinc/16/98/47/281169847.db2.gz QPUKKKYCTVFULB-WBVHZDCISA-N 0 1 311.470 1.166 10 0 DDAEMN C[NH+](C)[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)c1ccc(F)cc1 ZINC000095525503 289347979 /nfs/dbraw/zinc/34/79/79/289347979.db2.gz SZQSPOJUSUFXGU-ZDUSSCGKSA-N 0 1 324.352 1.178 10 0 DDAEMN O=C1NCC[C@H]1N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000378190907 302289322 /nfs/dbraw/zinc/28/93/22/302289322.db2.gz QJEWUBJWABUIGR-WCBMZHEXSA-N 0 1 302.300 1.496 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2C)C1 ZINC000175103936 535572300 /nfs/dbraw/zinc/57/23/00/535572300.db2.gz VASNFIITNWMSEM-LBPRGKRZSA-N 0 1 307.369 1.673 10 0 DDAEMN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000261592392 698428212 /nfs/dbraw/zinc/42/82/12/698428212.db2.gz VUNNMFZGMSTJPN-RXMQYKEDSA-N 0 1 303.236 1.941 10 0 DDAEMN COCCN1CCN(Cn2cnc3cc(F)c(F)cc32)C[C@@H]1C ZINC000117322764 696670353 /nfs/dbraw/zinc/67/03/53/696670353.db2.gz XHODNLQDWPTOIB-LBPRGKRZSA-N 0 1 324.375 1.925 10 0 DDAEMN O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1CCCn2ncnc21 ZINC000188414732 697558972 /nfs/dbraw/zinc/55/89/72/697558972.db2.gz LGTGYJRFQGCXGR-GFCCVEGCSA-N 0 1 300.366 1.074 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000188980508 697568653 /nfs/dbraw/zinc/56/86/53/697568653.db2.gz VREXAOXSVAPKKQ-LBPRGKRZSA-N 0 1 308.382 1.468 10 0 DDAEMN CCN1CCN(c2nc(C)nc3c2NC(=O)[C@H](C(C)C)N3)CC1 ZINC000224030584 697763720 /nfs/dbraw/zinc/76/37/20/697763720.db2.gz FDTVZIWHCAULGJ-LBPRGKRZSA-N 0 1 318.425 1.316 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)c3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000246965237 698358315 /nfs/dbraw/zinc/35/83/15/698358315.db2.gz LKHKKTAUYNEPQN-KGLIPLIRSA-N 0 1 324.331 1.498 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000253552309 698406754 /nfs/dbraw/zinc/40/67/54/698406754.db2.gz MRPVCNIUGYBTOX-SMDDNHRTSA-N 0 1 314.389 1.794 10 0 DDAEMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000253552309 698406757 /nfs/dbraw/zinc/40/67/57/698406757.db2.gz MRPVCNIUGYBTOX-SMDDNHRTSA-N 0 1 314.389 1.794 10 0 DDAEMN O=C(c1cc(Cl)nc(Cl)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720611331 699306507 /nfs/dbraw/zinc/30/65/07/699306507.db2.gz ADADBPLNWDTJQJ-ZETCQYMHSA-N 0 1 313.148 1.879 10 0 DDAEMN O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720642901 699307293 /nfs/dbraw/zinc/30/72/93/699307293.db2.gz OQMHUVFYFVTKDL-SECBINFHSA-N 0 1 323.154 1.335 10 0 DDAEMN O=C(C/C=C\c1ccc(F)cc1)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000886038060 708686924 /nfs/dbraw/zinc/68/69/24/708686924.db2.gz BEQYOIJAMGROSQ-STOZHHMFSA-N 0 1 316.336 1.467 10 0 DDAEMN COc1ccnc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 ZINC000886066071 708691384 /nfs/dbraw/zinc/69/13/84/708691384.db2.gz WKVGJEBLLVVRRR-SWLSCSKDSA-N 0 1 316.409 1.714 10 0 DDAEMN C[C@H](O)CN1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000248443131 282083048 /nfs/dbraw/zinc/08/30/48/282083048.db2.gz FKNYDUBFLSWPEE-CABCVRRESA-N 0 1 314.470 1.885 10 0 DDAEMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cn[nH]c2C)c1 ZINC000074667357 185007382 /nfs/dbraw/zinc/00/73/82/185007382.db2.gz NKKQRICGRVUXIJ-UHFFFAOYSA-N 0 1 317.301 1.544 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1Br ZINC000074731564 185014250 /nfs/dbraw/zinc/01/42/50/185014250.db2.gz QEHAJEWSUWMXBS-UHFFFAOYSA-N 0 1 324.134 1.007 10 0 DDAEMN COCCS(=O)(=O)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000081943054 192344441 /nfs/dbraw/zinc/34/44/41/192344441.db2.gz ADLQCRIEVOKSLZ-AWEZNQCLSA-N 0 1 301.408 1.535 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000249382204 282147657 /nfs/dbraw/zinc/14/76/57/282147657.db2.gz VPKARLLBUUBUSC-STQMWFEESA-N 0 1 314.426 1.022 10 0 DDAEMN CCC[C@H]1CCCN(S(=O)(=O)c2cnc(NN)nc2)CC1 ZINC000079357906 185166977 /nfs/dbraw/zinc/16/69/77/185166977.db2.gz REHGXQMKMPSPTQ-NSHDSACASA-N 0 1 313.427 1.353 10 0 DDAEMN Cc1cc([C@@H]2CCCN(C(=O)c3cnn4ccncc34)C2)n[nH]1 ZINC000328699954 231311739 /nfs/dbraw/zinc/31/17/39/231311739.db2.gz VXYRMCZJHWIJLO-GFCCVEGCSA-N 0 1 310.361 1.781 10 0 DDAEMN CC[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2S(N)(=O)=O)CC1 ZINC000087900935 185236587 /nfs/dbraw/zinc/23/65/87/185236587.db2.gz BEFJVRXONRDGBI-SNVBAGLBSA-N 0 1 314.411 1.018 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1[C@H]1CCC(=O)NC1 ZINC000087837599 185233186 /nfs/dbraw/zinc/23/31/86/185233186.db2.gz ZKEXOZATHLILMJ-QMMMGPOBSA-N 0 1 309.167 1.832 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1C[C@@H]1COCCO1 ZINC000087837012 185233202 /nfs/dbraw/zinc/23/32/02/185233202.db2.gz CBVMKIWTTGUNGO-SECBINFHSA-N 0 1 312.167 1.796 10 0 DDAEMN c1nnc([C@H]2COCCN2CCc2ccc3c(c2)OCCO3)[nH]1 ZINC000328861887 231370112 /nfs/dbraw/zinc/37/01/12/231370112.db2.gz ATTISBGDHBVRTF-CYBMUJFWSA-N 0 1 316.361 1.192 10 0 DDAEMN COc1ccc(C[C@H](C)N[C@@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853985 185267119 /nfs/dbraw/zinc/26/71/19/185267119.db2.gz ZAODRNBWVBUNKJ-WCQYABFASA-N 0 1 311.403 1.535 10 0 DDAEMN CCOc1ccc([C@@H](N)CS(=O)(=O)CCCOC)cc1 ZINC000081986232 192349317 /nfs/dbraw/zinc/34/93/17/192349317.db2.gz BLNCOKCGJJFPET-AWEZNQCLSA-N 0 1 301.408 1.536 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc(Cl)nc1 ZINC000092627840 185330270 /nfs/dbraw/zinc/33/02/70/185330270.db2.gz YVGZGCSNGQFMRN-SNVBAGLBSA-N 0 1 318.830 1.235 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N(Cc1cccs1)C1CC1 ZINC000092780467 185340291 /nfs/dbraw/zinc/34/02/91/185340291.db2.gz IGRWGUPCYJZBJQ-CYBMUJFWSA-N 0 1 302.403 1.677 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000286808388 219176380 /nfs/dbraw/zinc/17/63/80/219176380.db2.gz ICHQXRKMXDOMCZ-QMMMGPOBSA-N 0 1 307.778 1.199 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(C)nc3)CCO2)n[nH]1 ZINC000173558565 198227019 /nfs/dbraw/zinc/22/70/19/198227019.db2.gz OOYVYOVWHWGYRK-LBPRGKRZSA-N 0 1 301.350 1.284 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000174078912 198288276 /nfs/dbraw/zinc/28/82/76/198288276.db2.gz VZFLQWFFXUEMDE-HNNXBMFYSA-N 0 1 324.396 1.501 10 0 DDAEMN COC(=O)N[C@@H](C(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000174870807 198396211 /nfs/dbraw/zinc/39/62/11/198396211.db2.gz CMZSKVDRJGNOIB-CQSZACIVSA-N 0 1 318.377 1.868 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCCSC)CCN1CCOC ZINC000153628786 354200201 /nfs/dbraw/zinc/20/02/01/354200201.db2.gz BJKZCLYVGIKDIL-CQSZACIVSA-N 0 1 317.499 1.882 10 0 DDAEMN COC(=O)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000220575911 354314189 /nfs/dbraw/zinc/31/41/89/354314189.db2.gz ABFUBTSGSPUTDW-LBPRGKRZSA-N 0 1 305.378 1.235 10 0 DDAEMN O=C(Cc1ccc2nc[nH]c2c1)N1CCN(c2ncccn2)CC1 ZINC000074973656 191399819 /nfs/dbraw/zinc/39/98/19/191399819.db2.gz JYLXBDKMZFHQGQ-UHFFFAOYSA-N 0 1 322.372 1.244 10 0 DDAEMN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000236850514 202037573 /nfs/dbraw/zinc/03/75/73/202037573.db2.gz ZWYKKUDUYVSSNM-UHFFFAOYSA-N 0 1 310.341 1.900 10 0 DDAEMN CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693689 192314388 /nfs/dbraw/zinc/31/43/88/192314388.db2.gz JNPGKNFZBREBAW-LLVKDONJSA-N 0 1 320.846 1.182 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(F)ccc2O)CCN1C[C@@H](C)O ZINC000179643235 199069170 /nfs/dbraw/zinc/06/91/70/199069170.db2.gz QWKRYPWHRYEHEC-YPMHNXCESA-N 0 1 310.369 1.449 10 0 DDAEMN Cc1nn(C)c(CN[C@@H]2CCCC[C@H]2O)c1Br ZINC000089232809 192747914 /nfs/dbraw/zinc/74/79/14/192747914.db2.gz XOZOSHMJALANNM-MWLCHTKSSA-N 0 1 302.216 1.884 10 0 DDAEMN C[C@H](NC(=O)c1[nH]nc2c1CNCC2)c1ccc(F)c(F)c1 ZINC000188244938 200215114 /nfs/dbraw/zinc/21/51/14/200215114.db2.gz OCIFEKPMIGIZHH-QMMMGPOBSA-N 0 1 306.316 1.825 10 0 DDAEMN Cc1ccc(N2CCCN(C[C@H](O)CC(F)(F)F)CC2)nn1 ZINC000189134587 200354245 /nfs/dbraw/zinc/35/42/45/200354245.db2.gz HKXVUPOXEXSXTR-GFCCVEGCSA-N 0 1 318.343 1.610 10 0 DDAEMN CCCCOC[C@H](O)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000195174077 201352943 /nfs/dbraw/zinc/35/29/43/201352943.db2.gz GOZBVHZIMSCQKI-IAGOWNOFSA-N 0 1 320.433 1.727 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)N2CCCCC2)CC1 ZINC000091487994 193063143 /nfs/dbraw/zinc/06/31/43/193063143.db2.gz FKONORAFSCYFFX-UHFFFAOYSA-N 0 1 315.508 1.483 10 0 DDAEMN Cc1c(N)cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092001337 193139426 /nfs/dbraw/zinc/13/94/26/193139426.db2.gz RFYMOMPACUTQME-OLZOCXBDSA-N 0 1 309.435 1.434 10 0 DDAEMN CC[N@H+]1CCO[C@@H](Cn2cc(C(=O)[O-])c(C(F)(F)F)c2)C1 ZINC000092059212 193148938 /nfs/dbraw/zinc/14/89/38/193148938.db2.gz ZVDNEKAJCMYDPK-SECBINFHSA-N 0 1 306.284 1.926 10 0 DDAEMN C[C@H](C(=O)[O-])N1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092266793 193182859 /nfs/dbraw/zinc/18/28/59/193182859.db2.gz LBMSYDSNBGNSBF-OCCSQVGLSA-N 0 1 306.431 1.794 10 0 DDAEMN C[S@@](=O)Cc1cc(NC(=O)[C@@H]2CNCCO2)ccc1Cl ZINC000262623976 203353864 /nfs/dbraw/zinc/35/38/64/203353864.db2.gz IEGQPBKGBLWHLB-FKIZINRSSA-N 0 1 316.810 1.145 10 0 DDAEMN CN(CCS(C)(=O)=O)Cc1cc(CNC(C)(C)C)no1 ZINC000094300939 193358447 /nfs/dbraw/zinc/35/84/47/193358447.db2.gz WELLVRBXNTVHAE-UHFFFAOYSA-N 0 1 303.428 1.039 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@@H](N2CCc3c(N)cccc3C2)C1 ZINC000094638625 193387720 /nfs/dbraw/zinc/38/77/20/193387720.db2.gz XFXKDHWVCOOGKR-KGLIPLIRSA-N 0 1 308.447 1.983 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N(C)CCN1CCCC1 ZINC000094779675 193397080 /nfs/dbraw/zinc/39/70/80/193397080.db2.gz OZDZMTMRJMIIHM-UHFFFAOYSA-N 0 1 315.414 1.433 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H](N2CCc3ccc(N)cc3C2)C1 ZINC000094792410 193398765 /nfs/dbraw/zinc/39/87/65/193398765.db2.gz PCZHBXJRIRGBEK-HZPDHXFCSA-N 0 1 308.447 1.983 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCc3sccc3C2)ccn1 ZINC000038008909 182961735 /nfs/dbraw/zinc/96/17/35/182961735.db2.gz FJCVKUYJGXUNBN-UHFFFAOYSA-N 0 1 310.404 1.176 10 0 DDAEMN O=C([O-])CN(C(=O)[C@@H]1CSC[NH2+]1)c1ccc(Cl)cc1 ZINC000040484696 183077359 /nfs/dbraw/zinc/07/73/59/183077359.db2.gz NMGBNPIZOZPYNO-JTQLQIEISA-N 0 1 300.767 1.420 10 0 DDAEMN CS(=O)(=O)CC[C@H](N)C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492114 183080698 /nfs/dbraw/zinc/08/06/98/183080698.db2.gz OJPYJFKMPUXFTN-LBPRGKRZSA-N 0 1 316.448 1.001 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2N)C1 ZINC000040501851 183083384 /nfs/dbraw/zinc/08/33/84/183083384.db2.gz LXZAXIVAWDAUIY-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN COC(=O)c1c2c(sc1N1C(=O)CCCC1=O)CNCC2 ZINC000041156680 183179150 /nfs/dbraw/zinc/17/91/50/183179150.db2.gz GINYFBVHLLBWGD-UHFFFAOYSA-N 0 1 308.359 1.224 10 0 DDAEMN CCCCNC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802666 194132850 /nfs/dbraw/zinc/13/28/50/194132850.db2.gz KOLXRQYUZXEMNE-AWEZNQCLSA-N 0 1 305.426 1.294 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799526 194132898 /nfs/dbraw/zinc/13/28/98/194132898.db2.gz VKOHBKYHDKOCEI-AWEZNQCLSA-N 0 1 305.426 1.246 10 0 DDAEMN O=C(c1cccc2c[nH]nc21)N1CCCN(c2cccnn2)CC1 ZINC000105810730 194135000 /nfs/dbraw/zinc/13/50/00/194135000.db2.gz MGSFIXDHLTWZSG-UHFFFAOYSA-N 0 1 322.372 1.705 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1CCOC ZINC000105835907 194141712 /nfs/dbraw/zinc/14/17/12/194141712.db2.gz VBABYBGGVMVCQX-INIZCTEOSA-N 0 1 313.486 1.674 10 0 DDAEMN CC[C@H]1CN(Cc2ccoc2C(=O)OC)CCN1CCOC ZINC000105836574 194143475 /nfs/dbraw/zinc/14/34/75/194143475.db2.gz OXFJMXVYRIDPKX-AWEZNQCLSA-N 0 1 310.394 1.609 10 0 DDAEMN COC(=O)c1cc(CN2CCC[C@@H](Cn3cncn3)C2)oc1C ZINC000105882769 194156267 /nfs/dbraw/zinc/15/62/67/194156267.db2.gz PLOITCLNIHBHDY-CYBMUJFWSA-N 0 1 318.377 1.878 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(Cc3ccccn3)CC2)C1 ZINC000105915166 194168016 /nfs/dbraw/zinc/16/80/16/194168016.db2.gz ZKAHDAHUZHFSRM-GOSISDBHSA-N 0 1 318.465 1.308 10 0 DDAEMN CCCNc1ncccc1S(=O)(=O)NC1CCN(C)CC1 ZINC000050653280 183795260 /nfs/dbraw/zinc/79/52/60/183795260.db2.gz WTULCGXHBALEGF-UHFFFAOYSA-N 0 1 312.439 1.276 10 0 DDAEMN Cc1cccc(NC(=O)N2CCN([C@H](C)C(N)=S)CC2)c1 ZINC000109466467 194267378 /nfs/dbraw/zinc/26/73/78/194267378.db2.gz OTLNBOHAIGBBGB-GFCCVEGCSA-N 0 1 306.435 1.819 10 0 DDAEMN NNc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c[nH+]1 ZINC000110538508 194338546 /nfs/dbraw/zinc/33/85/46/194338546.db2.gz KIHRYBYVVLIAAG-UHFFFAOYSA-N 0 1 304.335 1.044 10 0 DDAEMN C[C@H](NC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1)c1cccs1 ZINC000061145702 184162866 /nfs/dbraw/zinc/16/28/66/184162866.db2.gz ZUQPEPJEWRMSKV-NSHDSACASA-N 0 1 311.407 1.611 10 0 DDAEMN CCN[C@](CSC1CCOCC1)(C(N)=O)c1ccccc1 ZINC000062056454 184203292 /nfs/dbraw/zinc/20/32/92/184203292.db2.gz CCVDDUKIWBRPAB-INIZCTEOSA-N 0 1 308.447 1.889 10 0 DDAEMN Nc1csc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000062975779 184264205 /nfs/dbraw/zinc/26/42/05/184264205.db2.gz GTHREGBGGUEWKC-LBPRGKRZSA-N 0 1 315.464 1.579 10 0 DDAEMN CNCc1nc(N2CC[C@@H](N3CCOCC3)C2)ccc1Cl ZINC000062983171 184264457 /nfs/dbraw/zinc/26/44/57/184264457.db2.gz SPXIPYYFPRUDBK-GFCCVEGCSA-N 0 1 310.829 1.365 10 0 DDAEMN C[C@@H]1CNC[C@H](C)N1S(=O)(=O)c1ccc(Cl)cc1F ZINC000069133633 184499896 /nfs/dbraw/zinc/49/98/96/184499896.db2.gz FMOQOYVHWRCZTB-DTORHVGOSA-N 0 1 306.790 1.850 10 0 DDAEMN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3ccsc3)C[C@H]2O1 ZINC000247835848 257116532 /nfs/dbraw/zinc/11/65/32/257116532.db2.gz JGMMNAZLISVLSJ-QLFBSQMISA-N 0 1 324.446 1.490 10 0 DDAEMN O=C(NCC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccco2)C1 ZINC000247481778 257119739 /nfs/dbraw/zinc/11/97/39/257119739.db2.gz JGUQNROANVXCNL-KBMXLJTQSA-N 0 1 304.390 1.785 10 0 DDAEMN Cc1nnc(C[C@@H]2OC[C@@H]3CN(c4ncc(F)cn4)CC[C@@H]32)[nH]1 ZINC000503717416 257209415 /nfs/dbraw/zinc/20/94/15/257209415.db2.gz NKGXZUZTIKMSOJ-DRZSPHRISA-N 0 1 318.356 1.126 10 0 DDAEMN Cc1nc(C[C@@H]2OC[C@@H]3CN(c4ncc(F)cn4)CC[C@@H]32)n[nH]1 ZINC000503717416 257209417 /nfs/dbraw/zinc/20/94/17/257209417.db2.gz NKGXZUZTIKMSOJ-DRZSPHRISA-N 0 1 318.356 1.126 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000232036073 484171417 /nfs/dbraw/zinc/17/14/17/484171417.db2.gz WSSUMEVRPQYLPB-SNVBAGLBSA-N 0 1 301.184 1.978 10 0 DDAEMN C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000071140103 406832364 /nfs/dbraw/zinc/83/23/64/406832364.db2.gz BHTMMORGOYLJST-JTQLQIEISA-N 0 1 313.195 1.931 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(F)cc2O)C[C@@H]1N1CCOCC1 ZINC000123960934 407343549 /nfs/dbraw/zinc/34/35/49/407343549.db2.gz NVHLNSKMJSLKJM-RISCZKNCSA-N 0 1 308.353 1.324 10 0 DDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2[nH]nnc2c1 ZINC000124133444 407349556 /nfs/dbraw/zinc/34/95/56/407349556.db2.gz CORIPKYIJJKVEZ-LLVKDONJSA-N 0 1 311.349 1.377 10 0 DDAEMN CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccco3)CC2)C1 ZINC000105817858 407355631 /nfs/dbraw/zinc/35/56/31/407355631.db2.gz MBIVOFQHDDHZAV-OAHLLOKOSA-N 0 1 321.421 1.147 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)c3ccco3)CC2)C1 ZINC000105817858 407355632 /nfs/dbraw/zinc/35/56/32/407355632.db2.gz MBIVOFQHDDHZAV-OAHLLOKOSA-N 0 1 321.421 1.147 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000106912092 407366270 /nfs/dbraw/zinc/36/62/70/407366270.db2.gz ZNZDYHAPDNBCOI-QGZVFWFLSA-N 0 1 301.434 1.466 10 0 DDAEMN CC(=O)c1cccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000112548922 407432218 /nfs/dbraw/zinc/43/22/18/407432218.db2.gz ARURDEZGADYHJR-MLGOLLRUSA-N 0 1 319.405 1.136 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1OC ZINC000170239957 407439966 /nfs/dbraw/zinc/43/99/66/407439966.db2.gz IANXCOJDSKEWIU-SECBINFHSA-N 0 1 302.334 1.566 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1OC ZINC000170239957 407439971 /nfs/dbraw/zinc/43/99/71/407439971.db2.gz IANXCOJDSKEWIU-SECBINFHSA-N 0 1 302.334 1.566 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113232931 407482547 /nfs/dbraw/zinc/48/25/47/407482547.db2.gz GAUWVMUIBIRISN-ZIAGYGMSSA-N 0 1 316.467 1.142 10 0 DDAEMN CC(C)CCOCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000185775107 407499294 /nfs/dbraw/zinc/49/92/94/407499294.db2.gz YLFZVFFHLDEWMS-LSDHHAIUSA-N 0 1 315.458 1.146 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)n[nH]1 ZINC000152351786 407620993 /nfs/dbraw/zinc/62/09/93/407620993.db2.gz GEIRILAUXDAJEM-LBPRGKRZSA-N 0 1 305.382 1.386 10 0 DDAEMN Cc1cnc(CNC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000186316692 407635482 /nfs/dbraw/zinc/63/54/82/407635482.db2.gz SIKODDZMLBKKJM-WDEREUQCSA-N 0 1 312.439 1.048 10 0 DDAEMN COC[C@H](N)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000262053493 407725386 /nfs/dbraw/zinc/72/53/86/407725386.db2.gz MXXMLZIVPDDSIP-LBPRGKRZSA-N 0 1 321.204 1.600 10 0 DDAEMN COC[C@@H](N)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000262253501 407777017 /nfs/dbraw/zinc/77/70/17/407777017.db2.gz IULSOYQBDTYFKT-LLVKDONJSA-N 0 1 313.195 1.528 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000262284811 407783663 /nfs/dbraw/zinc/78/36/63/407783663.db2.gz XSLJQVMDKUIMAF-IUODEOHRSA-N 0 1 319.405 1.613 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000262263390 407778655 /nfs/dbraw/zinc/77/86/55/407778655.db2.gz JPODMFDLJDJNQA-CABCVRRESA-N 0 1 310.369 1.307 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1Sc1nccn1C ZINC000262302844 407791759 /nfs/dbraw/zinc/79/17/59/407791759.db2.gz AZUYRGOEXVMSMY-JTQLQIEISA-N 0 1 306.391 1.484 10 0 DDAEMN COCC[N@@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000117424866 407836067 /nfs/dbraw/zinc/83/60/67/407836067.db2.gz TZOOZWILRZDISU-LLVKDONJSA-N 0 1 312.797 1.838 10 0 DDAEMN COCC[N@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000117424866 407836076 /nfs/dbraw/zinc/83/60/76/407836076.db2.gz TZOOZWILRZDISU-LLVKDONJSA-N 0 1 312.797 1.838 10 0 DDAEMN CCCNC(=O)c1ccc(NC(=O)[C@H](N)COC)cc1Cl ZINC000262509516 407854321 /nfs/dbraw/zinc/85/43/21/407854321.db2.gz JKRXQQUSYSUDJI-GFCCVEGCSA-N 0 1 313.785 1.392 10 0 DDAEMN COc1cccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1OC ZINC000180112045 407855265 /nfs/dbraw/zinc/85/52/65/407855265.db2.gz GLWBWMYIKONJSX-AWEZNQCLSA-N 0 1 318.377 1.704 10 0 DDAEMN CC(C)(C)OC[C@@H](O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000245199183 407948698 /nfs/dbraw/zinc/94/86/98/407948698.db2.gz CXUXHVNFYNJLQW-HOTGVXAUSA-N 0 1 320.433 1.726 10 0 DDAEMN CCCC[C@H](CC)C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262833245 407950631 /nfs/dbraw/zinc/95/06/31/407950631.db2.gz IAWAUHXPCMTFSV-UONOGXRCSA-N 0 1 314.426 1.447 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000118857289 407953423 /nfs/dbraw/zinc/95/34/23/407953423.db2.gz AMJFUSOMAWPNJK-OAHLLOKOSA-N 0 1 306.406 1.346 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000174094067 407913796 /nfs/dbraw/zinc/91/37/96/407913796.db2.gz NBYIODQXGARCFT-SFHVURJKSA-N 0 1 314.433 1.761 10 0 DDAEMN Cn1nccc1C1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000188086527 407917205 /nfs/dbraw/zinc/91/72/05/407917205.db2.gz QSRKZDJSMJFWFA-UHFFFAOYSA-N 0 1 310.361 1.711 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCSC)CCN1C[C@@H](C)O ZINC000181790321 408040239 /nfs/dbraw/zinc/04/02/39/408040239.db2.gz KGLZRDONUAVDPI-OLZOCXBDSA-N 0 1 303.472 1.226 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1CC ZINC000245477175 407998150 /nfs/dbraw/zinc/99/81/50/407998150.db2.gz UGKFLYVZPKGWSO-CVEARBPZSA-N 0 1 313.486 1.674 10 0 DDAEMN COC(=O)c1ccccc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245754812 408061396 /nfs/dbraw/zinc/06/13/96/408061396.db2.gz OKSQMRCIPSGGKH-RHSMWYFYSA-N 0 1 318.417 1.626 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H](C)CCCOC)CCO2)n[nH]1 ZINC000182055706 408068799 /nfs/dbraw/zinc/06/87/99/408068799.db2.gz RFWCEOGBUZLITG-RYUDHWBXSA-N 0 1 310.398 1.330 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000263261389 408078241 /nfs/dbraw/zinc/07/82/41/408078241.db2.gz SPUUKAHZRXQJIY-BDAKNGLRSA-N 0 1 312.320 1.582 10 0 DDAEMN O=C1CCCN1C[C@@H](O)CN1CCOC2(C1)CCCCCC2 ZINC000119564286 408096776 /nfs/dbraw/zinc/09/67/76/408096776.db2.gz QGRIYCYJTRNTCT-HNNXBMFYSA-N 0 1 310.438 1.395 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC(C)(C)C2CCC2)C1 ZINC000263457407 408142853 /nfs/dbraw/zinc/14/28/53/408142853.db2.gz HSMOOEWIAMWCTF-UHFFFAOYSA-N 0 1 311.426 1.802 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cncc(-n3cccn3)n2)C1 ZINC000263562316 408175506 /nfs/dbraw/zinc/17/55/06/408175506.db2.gz SNMKNUODVQOTIM-UHFFFAOYSA-N 0 1 316.365 1.012 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCO[C@@H]1CCOC1 ZINC000150789383 408202935 /nfs/dbraw/zinc/20/29/35/408202935.db2.gz ZNUSIOOSROGPCT-SJORKVTESA-N 0 1 320.433 1.471 10 0 DDAEMN Cc1nc([C@@H]2CN(c3ncnc4cccc(C)c43)CCO2)n[nH]1 ZINC000175777180 408205873 /nfs/dbraw/zinc/20/58/73/408205873.db2.gz JKYRPPWYGLFCCP-ZDUSSCGKSA-N 0 1 310.361 1.943 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1N1CCOCC1 ZINC000246309447 408214996 /nfs/dbraw/zinc/21/49/96/408214996.db2.gz CJPACLRVIMAQRR-UKRRQHHQSA-N 0 1 301.390 1.980 10 0 DDAEMN C[C@@H]1CN(Cc2nc3ccccc3o2)C[C@H]1N1CCOCC1 ZINC000246309447 408215001 /nfs/dbraw/zinc/21/50/01/408215001.db2.gz CJPACLRVIMAQRR-UKRRQHHQSA-N 0 1 301.390 1.980 10 0 DDAEMN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN3CCC[C@H]3C2)c1C ZINC000246376982 408236539 /nfs/dbraw/zinc/23/65/39/408236539.db2.gz OJEZAVNRVOLAKI-AWEZNQCLSA-N 0 1 303.406 1.797 10 0 DDAEMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000246738837 408330900 /nfs/dbraw/zinc/33/09/00/408330900.db2.gz GPDDPEYTIDATAW-QAPCUYQASA-N 0 1 306.450 1.918 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246576392 408295066 /nfs/dbraw/zinc/29/50/66/408295066.db2.gz HGIRMQAVCQUGRB-HZPDHXFCSA-N 0 1 320.437 1.293 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC2CC2)C1 ZINC000190689411 408302772 /nfs/dbraw/zinc/30/27/72/408302772.db2.gz MATIZSBQLJINSO-INIZCTEOSA-N 0 1 302.422 1.955 10 0 DDAEMN Cc1ccc(CCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246617213 408303230 /nfs/dbraw/zinc/30/32/30/408303230.db2.gz CTRYWVZKZRYWSG-HOTGVXAUSA-N 0 1 304.434 1.841 10 0 DDAEMN COCCC1(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCCC1 ZINC000133107193 162050927 /nfs/dbraw/zinc/05/09/27/162050927.db2.gz GTEXGWYDXLJQOX-CYBMUJFWSA-N 0 1 322.409 1.610 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246766131 408335312 /nfs/dbraw/zinc/33/53/12/408335312.db2.gz BZXNSHPUHQTXJE-UONOGXRCSA-N 0 1 318.483 1.292 10 0 DDAEMN CC(C)COC[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000176354860 408346533 /nfs/dbraw/zinc/34/65/33/408346533.db2.gz WVBKSZJQARKFRW-IAGOWNOFSA-N 0 1 322.449 1.309 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)n[nH]1 ZINC000246916245 408366352 /nfs/dbraw/zinc/36/63/52/408366352.db2.gz IORZJGYTMSRECV-LSDHHAIUSA-N 0 1 302.378 1.090 10 0 DDAEMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000172895542 162311109 /nfs/dbraw/zinc/31/11/09/162311109.db2.gz GOQMGFWTGBHIQS-CZUORRHYSA-N 0 1 318.465 1.912 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccnc(Cl)c3)CCO2)n[nH]1 ZINC000173531564 162344999 /nfs/dbraw/zinc/34/49/99/162344999.db2.gz SGKHGCTVWZKMEA-SNVBAGLBSA-N 0 1 307.741 1.375 10 0 DDAEMN COCc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)o1 ZINC000173536957 162346924 /nfs/dbraw/zinc/34/69/24/162346924.db2.gz HMDBUDCLLSUOFK-GFCCVEGCSA-N 0 1 306.322 1.066 10 0 DDAEMN CCOc1cccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173550418 162349914 /nfs/dbraw/zinc/34/99/14/162349914.db2.gz OVNFRBQDBXVTBY-AWEZNQCLSA-N 0 1 316.361 1.726 10 0 DDAEMN Cc1nnc([C@@H]2CN(C(=O)c3ccc(O)c(Cl)c3)CCO2)[nH]1 ZINC000173755117 162361612 /nfs/dbraw/zinc/36/16/12/162361612.db2.gz APPUTLABVYYPBD-LBPRGKRZSA-N 0 1 322.752 1.686 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc(C)c3O)CCO2)n[nH]1 ZINC000173755473 162362335 /nfs/dbraw/zinc/36/23/35/162362335.db2.gz JVQIDCKXLUVZBP-LBPRGKRZSA-N 0 1 302.334 1.341 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCCCC2)CCN1C[C@H](C)O ZINC000247127864 408413277 /nfs/dbraw/zinc/41/32/77/408413277.db2.gz KEVPKJKOSJPMNP-JKSUJKDBSA-N 0 1 311.470 1.166 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247185761 408425221 /nfs/dbraw/zinc/42/52/21/408425221.db2.gz NWGOBJOTRBYFOR-CABCVRRESA-N 0 1 319.453 1.682 10 0 DDAEMN CCN(CC)[C@H](C(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000191484089 408432006 /nfs/dbraw/zinc/43/20/06/408432006.db2.gz MXMYPKZPKTZACX-INIZCTEOSA-N 0 1 303.406 1.416 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176914694 408473156 /nfs/dbraw/zinc/47/31/56/408473156.db2.gz GKJDLNMALYJWDD-CYBMUJFWSA-N 0 1 322.409 1.852 10 0 DDAEMN Cc1csc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)n1 ZINC000176950117 162569769 /nfs/dbraw/zinc/56/97/69/162569769.db2.gz UBTHTCJFDSOGJH-VIFPVBQESA-N 0 1 308.367 1.483 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccsc2)CCN1C[C@H](C)O ZINC000248450094 408569697 /nfs/dbraw/zinc/56/96/97/408569697.db2.gz IPHFPMLEOSXQQX-JSGCOSHPSA-N 0 1 311.451 1.735 10 0 DDAEMN C[C@H](C[S@@](C)=O)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000248461739 408574932 /nfs/dbraw/zinc/57/49/32/408574932.db2.gz VDHSHZRTZALPSU-MTNMJMNLSA-N 0 1 311.451 1.356 10 0 DDAEMN Cc1ccc(C(=O)CCN2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000248539497 408583303 /nfs/dbraw/zinc/58/33/03/408583303.db2.gz AUDYHIDBVYNRBW-CVEARBPZSA-N 0 1 304.434 1.955 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000248558795 408588104 /nfs/dbraw/zinc/58/81/04/408588104.db2.gz DPERADVVDIWOOW-DOMZBBRYSA-N 0 1 311.389 1.780 10 0 DDAEMN CCCCOC[C@H](O)CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000248663568 408610331 /nfs/dbraw/zinc/61/03/31/408610331.db2.gz ZUEWMSCXPCXXLS-KLHDSHLOSA-N 0 1 301.427 1.432 10 0 DDAEMN COCCC(C)(C)CNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248740235 408625714 /nfs/dbraw/zinc/62/57/14/408625714.db2.gz QLPAIBBRWXGDFR-KBPBESRZSA-N 0 1 315.458 1.146 10 0 DDAEMN C[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000192805705 408651656 /nfs/dbraw/zinc/65/16/56/408651656.db2.gz ZMUCUTVGEARTSK-JKSUJKDBSA-N 0 1 323.456 1.644 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249536646 408739470 /nfs/dbraw/zinc/73/94/70/408739470.db2.gz CPMZKYYQUJVXCM-AEGPPILISA-N 0 1 310.463 1.917 10 0 DDAEMN C[C@@H](CNc1nc[nH]c(=O)c1I)C1CC1 ZINC000165334546 408809582 /nfs/dbraw/zinc/80/95/82/408809582.db2.gz ZWGWOXXRYUJDDM-LURJTMIESA-N 0 1 319.146 1.833 10 0 DDAEMN CCN(CC)[C@H](C(=O)N1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000189234518 163090726 /nfs/dbraw/zinc/09/07/26/163090726.db2.gz OWGFKGJFOOBTAP-HOCLYGCPSA-N 0 1 317.433 1.807 10 0 DDAEMN CCc1n[nH]c(C2CCN(Cc3nnc(C(C)C)n3C)CC2)n1 ZINC000190668882 163151336 /nfs/dbraw/zinc/15/13/36/163151336.db2.gz FOCZNLRAGXJMME-UHFFFAOYSA-N 0 1 317.441 1.999 10 0 DDAEMN CCc1nnc(C2CCN(Cc3nnc(C(C)C)n3C)CC2)[nH]1 ZINC000190668882 163151338 /nfs/dbraw/zinc/15/13/38/163151338.db2.gz FOCZNLRAGXJMME-UHFFFAOYSA-N 0 1 317.441 1.999 10 0 DDAEMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CNC(=O)C1 ZINC000194874905 163299423 /nfs/dbraw/zinc/29/94/23/163299423.db2.gz KOSJFISAUSWKSF-CYBMUJFWSA-N 0 1 319.380 1.042 10 0 DDAEMN CN1C[C@@H](C(=O)Nc2nc3ccccn3n2)[C@H](C(F)(F)F)C1 ZINC000299744814 410605670 /nfs/dbraw/zinc/60/56/70/410605670.db2.gz QARPOUWACJMHRI-RKDXNWHRSA-N 0 1 313.283 1.408 10 0 DDAEMN NC(=O)[C@H](O)C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000299745880 229387744 /nfs/dbraw/zinc/38/77/44/229387744.db2.gz TUJBXYSISIDRJI-HUUCEWRRSA-N 0 1 308.809 1.886 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)N(C)C1 ZINC000583618173 422205265 /nfs/dbraw/zinc/20/52/65/422205265.db2.gz HRLXHPNYHVWIDW-HOTGVXAUSA-N 0 1 314.389 1.208 10 0 DDAEMN Cc1cc[nH]c1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000583621140 422208802 /nfs/dbraw/zinc/20/88/02/422208802.db2.gz BAACYFPDATWOQL-XJKSGUPXSA-N 0 1 315.421 1.870 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)C1 ZINC000630655948 422246946 /nfs/dbraw/zinc/24/69/46/422246946.db2.gz GHOCKAAIUCKZFF-FVQBIDKESA-N 0 1 316.401 1.973 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)C1 ZINC000630655948 422246952 /nfs/dbraw/zinc/24/69/52/422246952.db2.gz GHOCKAAIUCKZFF-FVQBIDKESA-N 0 1 316.401 1.973 10 0 DDAEMN Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)o1 ZINC000344471602 272032310 /nfs/dbraw/zinc/03/23/10/272032310.db2.gz JPEZAYCGMXCHQY-GXTWGEPZSA-N 0 1 304.398 1.631 10 0 DDAEMN C[C@@H](C(=O)N1CCCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246855072 278189095 /nfs/dbraw/zinc/18/90/95/278189095.db2.gz FFMBUKOOFCUVME-JKSUJKDBSA-N 0 1 309.454 1.184 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000122086290 281150354 /nfs/dbraw/zinc/15/03/54/281150354.db2.gz OFWLIFIJSNCNNC-OAHLLOKOSA-N 0 1 307.442 1.707 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000122086070 281150546 /nfs/dbraw/zinc/15/05/46/281150546.db2.gz OFWLIFIJSNCNNC-HNNXBMFYSA-N 0 1 307.442 1.707 10 0 DDAEMN O=C1CCCN1C[C@@H](O)CNC1(c2nccs2)CCCC1 ZINC000126707671 281250112 /nfs/dbraw/zinc/25/01/12/281250112.db2.gz IXSNAGCZJZQLAY-LBPRGKRZSA-N 0 1 309.435 1.485 10 0 DDAEMN O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000328672602 534685398 /nfs/dbraw/zinc/68/53/98/534685398.db2.gz OJZMZEOQEDTBCV-RYUDHWBXSA-N 0 1 305.382 1.800 10 0 DDAEMN C[C@H](OC(=O)[C@@H]1CNC(=O)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989657 696647222 /nfs/dbraw/zinc/64/72/22/696647222.db2.gz WKQQRRICHYPXBJ-YUMQZZPRSA-N 0 1 307.737 1.957 10 0 DDAEMN CCCCC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)CC)CC1 ZINC000174073162 697383603 /nfs/dbraw/zinc/38/36/03/697383603.db2.gz RQDYLESENQFVQP-HZPDHXFCSA-N 0 1 313.486 1.460 10 0 DDAEMN CC[C@H](NCC(=O)N1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181555114 697462339 /nfs/dbraw/zinc/46/23/39/697462339.db2.gz GIBUWYQUXIIAEP-WFASDCNBSA-N 0 1 321.377 1.883 10 0 DDAEMN O=C(N[C@H]1COc2ccccc21)N1CCN(CC2CC2)CC1 ZINC000195196261 697734260 /nfs/dbraw/zinc/73/42/60/697734260.db2.gz AINCEKIVYNAFQY-HNNXBMFYSA-N 0 1 301.390 1.857 10 0 DDAEMN CC[C@@H]1CC(=O)N(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000245878468 698339690 /nfs/dbraw/zinc/33/96/90/698339690.db2.gz RVMJFDCQFHOPHD-HZPDHXFCSA-N 0 1 319.453 1.823 10 0 DDAEMN CC[C@@H]1CCC[C@@H]1NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263300378 698499524 /nfs/dbraw/zinc/49/95/24/698499524.db2.gz WTCVMNWVAMJHES-RYSNWHEDSA-N 0 1 311.426 1.802 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2C[C@H]2CC(C)C)C1 ZINC000263364487 698502520 /nfs/dbraw/zinc/50/25/20/698502520.db2.gz LFKLOWVFWBCYKF-BLYZHGLHSA-N 0 1 311.426 1.658 10 0 DDAEMN CC(C)OC1CC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263522116 698511657 /nfs/dbraw/zinc/51/16/57/698511657.db2.gz RLMKYUFSTKNXKR-UHFFFAOYSA-N 0 1 310.438 1.860 10 0 DDAEMN CC(C)OC1CC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263522116 698511662 /nfs/dbraw/zinc/51/16/62/698511662.db2.gz RLMKYUFSTKNXKR-UHFFFAOYSA-N 0 1 310.438 1.860 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)C1CCC(=O)CC1 ZINC000708220855 699249252 /nfs/dbraw/zinc/24/92/52/699249252.db2.gz HUWZARDXDPOJAX-GFCCVEGCSA-N 0 1 302.440 1.244 10 0 DDAEMN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720619649 699306573 /nfs/dbraw/zinc/30/65/73/699306573.db2.gz VWINTFDHRXRKOX-SSDOTTSWSA-N 0 1 313.148 1.879 10 0 DDAEMN CCc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ncc(Cl)cn3)C2)n[nH]1 ZINC000888097199 709212552 /nfs/dbraw/zinc/21/25/52/709212552.db2.gz DNNMUJRRIOEBQZ-IQJOONFLSA-N 0 1 322.800 1.777 10 0 DDAEMN CCc1nnc([C@@H]2C[C@@H](O)[C@@H](CNc3ncc(Cl)cn3)C2)[nH]1 ZINC000888097199 709212554 /nfs/dbraw/zinc/21/25/54/709212554.db2.gz DNNMUJRRIOEBQZ-IQJOONFLSA-N 0 1 322.800 1.777 10 0 DDAEMN Cc1cnc(CN(C)[C@@H]2CCN(Cc3c(C)ccnc3N)C2)o1 ZINC000893870132 710865319 /nfs/dbraw/zinc/86/53/19/710865319.db2.gz SVEKWMRYRPALQL-CQSZACIVSA-N 0 1 315.421 1.975 10 0 DDAEMN CC[C@@H]1CN([C@H](C)c2nc(COC)no2)CCN1CCOC ZINC000248456052 282085216 /nfs/dbraw/zinc/08/52/16/282085216.db2.gz LHPSLGSDFLMKCM-CHWSQXEVSA-N 0 1 312.414 1.320 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)Nc2cnc3[nH]cnc3c2)cc1 ZINC000082352536 185177082 /nfs/dbraw/zinc/17/70/82/185177082.db2.gz KBZRTSDAAGZEIJ-UHFFFAOYSA-N 0 1 316.342 1.961 10 0 DDAEMN COC(=O)[C@@H](CSc1nc2ccc(C)cc2[nH]1)NC(C)=O ZINC000088116873 185239886 /nfs/dbraw/zinc/23/98/86/185239886.db2.gz HEHDVZKSRVHMGE-GFCCVEGCSA-N 0 1 307.375 1.641 10 0 DDAEMN COC(=O)CCS(=O)(=O)C[C@H](N)c1ccc(C(C)C)cc1 ZINC000081974445 192348305 /nfs/dbraw/zinc/34/83/05/192348305.db2.gz LFJARPSEQDBNPA-AWEZNQCLSA-N 0 1 313.419 1.788 10 0 DDAEMN CN[C@](CN1CCC[C@H](C(F)(F)F)C1)(C(=O)OC)C1CC1 ZINC000088435136 185250072 /nfs/dbraw/zinc/25/00/72/185250072.db2.gz XMQKYSHYDHPUHY-AAEUAGOBSA-N 0 1 308.344 1.802 10 0 DDAEMN CC(C)n1ncnc1C[S@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000088618329 185260240 /nfs/dbraw/zinc/26/02/40/185260240.db2.gz LNMAGSLBKSWQGK-OAQYLSRUSA-N 0 1 304.379 1.625 10 0 DDAEMN CCOC(=O)c1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1 ZINC000088759566 185264499 /nfs/dbraw/zinc/26/44/99/185264499.db2.gz GVTPYGFAZQUGAL-UHFFFAOYSA-N 0 1 309.347 1.065 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)o1 ZINC000245920441 539268859 /nfs/dbraw/zinc/26/88/59/539268859.db2.gz XOWDGKOAJJFOKS-OBJOEFQTSA-N 0 1 309.410 1.746 10 0 DDAEMN CN[C@H](CS(=O)(=O)C1CCOCC1)c1cccc(OC)c1 ZINC000081990222 192350395 /nfs/dbraw/zinc/35/03/95/192350395.db2.gz HANSJTKGVMEOHP-OAHLLOKOSA-N 0 1 313.419 1.550 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000088884316 185268827 /nfs/dbraw/zinc/26/88/27/185268827.db2.gz PSICGOKPRASLKD-YPMHNXCESA-N 0 1 313.423 1.554 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccsc1CO ZINC000088895159 185270124 /nfs/dbraw/zinc/27/01/24/185270124.db2.gz PHSCSGXLVQUDHW-UHFFFAOYSA-N 0 1 306.453 1.203 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2cc(C)on2)CC1 ZINC000090253795 185288053 /nfs/dbraw/zinc/28/80/53/185288053.db2.gz WREGNSBOBJMVTO-LBPRGKRZSA-N 0 1 310.423 1.196 10 0 DDAEMN C[N@@H+](Cc1cccc(Br)c1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389239 185294053 /nfs/dbraw/zinc/29/40/53/185294053.db2.gz LXKVSRMMNVWYAC-RYUDHWBXSA-N 0 1 314.179 1.981 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000082004635 192353682 /nfs/dbraw/zinc/35/36/82/192353682.db2.gz KCDZOYBNPDQEON-CYBMUJFWSA-N 0 1 315.391 1.061 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1NN ZINC000092633915 185330668 /nfs/dbraw/zinc/33/06/68/185330668.db2.gz XBVCUYKULHJTQG-LBPRGKRZSA-N 0 1 312.439 1.077 10 0 DDAEMN COc1ncnc(N)c1CNCCOc1ccccc1Cl ZINC000095434267 185364261 /nfs/dbraw/zinc/36/42/61/185364261.db2.gz VOMAYYDRCGTYST-UHFFFAOYSA-N 0 1 308.769 1.889 10 0 DDAEMN COCCN1CCN(Cc2ncn(-c3ccccc3)n2)C[C@H]1C ZINC000181562128 199318393 /nfs/dbraw/zinc/31/83/93/199318393.db2.gz BBRHRZUKICCCOB-OAHLLOKOSA-N 0 1 315.421 1.420 10 0 DDAEMN Cc1c(Cl)cccc1S(=O)(=O)NCCCc1nc[nH]n1 ZINC000080590427 192170069 /nfs/dbraw/zinc/17/00/69/192170069.db2.gz HTYAFDVQASGXNG-UHFFFAOYSA-N 0 1 314.798 1.678 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000170873727 197843211 /nfs/dbraw/zinc/84/32/11/197843211.db2.gz AUBBFRQXWQTVON-OAHLLOKOSA-N 0 1 308.447 1.890 10 0 DDAEMN Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000028659396 352231566 /nfs/dbraw/zinc/23/15/66/352231566.db2.gz LOXQFNPBNCZISQ-HUUCEWRRSA-N 0 1 306.406 1.287 10 0 DDAEMN Cc1nn(C)c(C)c1CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000174059540 198286772 /nfs/dbraw/zinc/28/67/72/198286772.db2.gz JIWBUCAXEOPBSQ-KRWDZBQOSA-N 0 1 314.433 1.826 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)C[C@H]1C ZINC000174311861 198318423 /nfs/dbraw/zinc/31/84/23/198318423.db2.gz UAELGPWWETVHBE-CHWSQXEVSA-N 0 1 310.825 1.796 10 0 DDAEMN N[C@@]1(C(=O)Nc2ccc(F)cc2Br)CCOC1 ZINC000085868688 192536927 /nfs/dbraw/zinc/53/69/27/192536927.db2.gz PEUDUTVNAJFDSQ-NSHDSACASA-N 0 1 303.131 1.645 10 0 DDAEMN CC[C@H]1CN(Cc2cncc(OC)n2)C[C@@H]1N1CCOCC1 ZINC000625228132 366788911 /nfs/dbraw/zinc/78/89/11/366788911.db2.gz QMTBUCIMUCYSOL-ZFWWWQNUSA-N 0 1 306.410 1.028 10 0 DDAEMN CC[C@H](C)NC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091487531 193063492 /nfs/dbraw/zinc/06/34/92/193063492.db2.gz IKWGIHLVQRIAJV-JTQLQIEISA-N 0 1 303.497 1.385 10 0 DDAEMN CCn1cc(O[C@@H]2CN(CCOCC3CCCC3)C[C@H]2O)cn1 ZINC000625615379 367049094 /nfs/dbraw/zinc/04/90/94/367049094.db2.gz NQQZNNMHJBCCOU-IAGOWNOFSA-N 0 1 323.437 1.534 10 0 DDAEMN CCc1cccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000625629007 367058399 /nfs/dbraw/zinc/05/83/99/367058399.db2.gz OGKKIRJCLKXYJC-IAGOWNOFSA-N 0 1 301.390 1.607 10 0 DDAEMN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)[C@@H]1C ZINC000625579376 367028382 /nfs/dbraw/zinc/02/83/82/367028382.db2.gz DHUFAJKFWYNDDE-GODIYZJISA-N 0 1 320.437 1.770 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000093249251 193220652 /nfs/dbraw/zinc/22/06/52/193220652.db2.gz AIDGKPLWIQLNHC-VXNVDRBHSA-N 0 1 323.871 1.866 10 0 DDAEMN Cc1oc(CN)cc1S(=O)(=O)N(C)CCc1cccs1 ZINC000093294842 193226574 /nfs/dbraw/zinc/22/65/74/193226574.db2.gz LQQNSIAXZIPSSX-UHFFFAOYSA-N 0 1 314.432 1.971 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850546 193317663 /nfs/dbraw/zinc/31/76/63/193317663.db2.gz MEQZVOPEJCJCTM-IINYFYTJSA-N 0 1 310.423 1.520 10 0 DDAEMN CCN[C@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301123 193358254 /nfs/dbraw/zinc/35/82/54/193358254.db2.gz BPZBQYQOYFZHKQ-JTQLQIEISA-N 0 1 317.480 1.611 10 0 DDAEMN CCN1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1 ZINC000094334871 193360507 /nfs/dbraw/zinc/36/05/07/193360507.db2.gz ANTZVDXCQIEWAK-UHFFFAOYSA-N 0 1 302.300 1.341 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H](C)CN1CCCC1 ZINC000094360263 193365006 /nfs/dbraw/zinc/36/50/06/193365006.db2.gz AHUAACNOAIWRIT-JTQLQIEISA-N 0 1 315.414 1.479 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)cs1 ZINC000094223122 193351016 /nfs/dbraw/zinc/35/10/16/193351016.db2.gz GTFGTMSGXHFAQP-IGJIYHIXSA-N 0 1 311.285 1.298 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CC[N@H+]1C ZINC000094227027 193351595 /nfs/dbraw/zinc/35/15/95/193351595.db2.gz SUTJVPSPGUIVLD-KWQFWETISA-N 0 1 311.304 1.128 10 0 DDAEMN CN[C@@H](c1cscc1Br)[C@@H]1CN2CCN1CC2 ZINC000094509049 193375388 /nfs/dbraw/zinc/37/53/88/193375388.db2.gz NVUXZNKOJUFAKN-RYUDHWBXSA-N 0 1 316.268 1.771 10 0 DDAEMN COc1ccc(NS(=O)(=O)c2ccccc2C(N)=S)cn1 ZINC000020017464 182178738 /nfs/dbraw/zinc/17/87/38/182178738.db2.gz ZHTVTLKHIFJHAB-UHFFFAOYSA-N 0 1 323.399 1.525 10 0 DDAEMN COc1ccc(Cl)cc1NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000021518237 182277638 /nfs/dbraw/zinc/27/76/38/182277638.db2.gz ZOJXRJXPQULKFT-VIFPVBQESA-N 0 1 320.798 1.049 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(N)cc(C)c2C)C1 ZINC000040501843 183083342 /nfs/dbraw/zinc/08/33/42/183083342.db2.gz MNIFQMFMCFEKNJ-AWEZNQCLSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1ccc(S(=O)(=O)NCCN2CCC(C)CC2)cc1N ZINC000040771097 183131645 /nfs/dbraw/zinc/13/16/45/183131645.db2.gz SUHZUMFJALNOOW-UHFFFAOYSA-N 0 1 311.451 1.587 10 0 DDAEMN CCN(CC)S(=O)(=O)c1cc(Br)c[nH]c1=NN ZINC000041069906 183162578 /nfs/dbraw/zinc/16/25/78/183162578.db2.gz ZTDVSJJKKZMGHO-UHFFFAOYSA-N 0 1 323.216 1.160 10 0 DDAEMN COC(=O)CS(=O)(=O)Nc1cccc(Br)c1 ZINC000042137764 183234745 /nfs/dbraw/zinc/23/47/45/183234745.db2.gz HHYZLRFTYQCLGG-UHFFFAOYSA-N 0 1 308.153 1.364 10 0 DDAEMN CCCN(CCOc1ccc(C(N)=S)cc1)CC(=O)NC ZINC000042404982 183264361 /nfs/dbraw/zinc/26/43/61/183264361.db2.gz NWSLMJRELNZSPQ-UHFFFAOYSA-N 0 1 309.435 1.158 10 0 DDAEMN CN(Cc1ccccc1Br)C(=O)N1CCNCC1 ZINC000042441047 183270215 /nfs/dbraw/zinc/27/02/15/183270215.db2.gz SXSQFKRHRWCMPK-UHFFFAOYSA-N 0 1 312.211 1.906 10 0 DDAEMN COc1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000105098822 194073566 /nfs/dbraw/zinc/07/35/66/194073566.db2.gz MOHLWYOLJDDHKY-CQSZACIVSA-N 0 1 304.394 1.470 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000284813989 218188675 /nfs/dbraw/zinc/18/86/75/218188675.db2.gz NPLHAPQUETUZJZ-INIZCTEOSA-N 0 1 311.345 1.553 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2cccnc2)C[C@@H]1CC ZINC000105838038 194144778 /nfs/dbraw/zinc/14/47/78/194144778.db2.gz GCXCIQXPVMBRPG-INIZCTEOSA-N 0 1 320.437 1.724 10 0 DDAEMN Cc1ccc2nc(CN3CCN(C[C@@H](C)O)[C@H](C)C3)cn2c1 ZINC000105912101 194170029 /nfs/dbraw/zinc/17/00/29/194170029.db2.gz OROCMNCBXDIKKJ-HUUCEWRRSA-N 0 1 302.422 1.530 10 0 DDAEMN CCOCCN1CCN(Cc2cc(C(=O)OC)co2)C[C@@H]1CC ZINC000106116742 194186544 /nfs/dbraw/zinc/18/65/44/194186544.db2.gz UKFAOSNIGZTPHW-HNNXBMFYSA-N 0 1 324.421 1.999 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2ccoc2C)CC1 ZINC000109463234 194266074 /nfs/dbraw/zinc/26/60/74/194266074.db2.gz QXSLZBCKFRSGFO-ZDUSSCGKSA-N 0 1 309.435 1.801 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000109460900 194266109 /nfs/dbraw/zinc/26/61/09/194266109.db2.gz FMUITJVCOZQJSC-CYBMUJFWSA-N 0 1 309.410 1.648 10 0 DDAEMN CN(Cc1nc2c(cnn2C)c(Cl)n1)CC1CCOCC1 ZINC000111162638 194397827 /nfs/dbraw/zinc/39/78/27/194397827.db2.gz DOIAREHDRVUSSQ-UHFFFAOYSA-N 0 1 309.801 1.875 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)OC(=O)[C@H]1COc2ccccc2O1 ZINC000059181622 184135224 /nfs/dbraw/zinc/13/52/24/184135224.db2.gz BASXDLIQTJJHPH-CZUORRHYSA-N 0 1 320.389 1.006 10 0 DDAEMN CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H](C)C(=O)[O-] ZINC000061219061 184166163 /nfs/dbraw/zinc/16/61/63/184166163.db2.gz LYDCMTNJRJYVFH-SECBINFHSA-N 0 1 300.305 1.946 10 0 DDAEMN COc1ccc([N-]S(=O)(=O)c2ccc(NN)[nH+]c2)c(C)c1 ZINC000061568621 184175172 /nfs/dbraw/zinc/17/51/72/184175172.db2.gz PNRYPLGDKKSCLG-UHFFFAOYSA-N 0 1 308.363 1.485 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000061642501 184180544 /nfs/dbraw/zinc/18/05/44/184180544.db2.gz RMZMRSFPONYBRC-JTQLQIEISA-N 0 1 317.842 1.637 10 0 DDAEMN COCCCN1[C@H](C)CN(C(=O)Cc2cc(C)on2)C[C@@H]1C ZINC000062221130 184223591 /nfs/dbraw/zinc/22/35/91/184223591.db2.gz ZVWQARWOWGPHNG-BETUJISGSA-N 0 1 309.410 1.483 10 0 DDAEMN O=C([O-])[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cscn2)CC1 ZINC000062354077 184232391 /nfs/dbraw/zinc/23/23/91/184232391.db2.gz BCSHTJMAMVHWGF-GFCCVEGCSA-N 0 1 309.391 1.297 10 0 DDAEMN CCC1(CC)CCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC1 ZINC000062958116 184262497 /nfs/dbraw/zinc/26/24/97/184262497.db2.gz LHLFPZKAEFFLRH-LBPRGKRZSA-N 0 1 304.456 1.177 10 0 DDAEMN CS(=O)(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c(N)c1 ZINC000062975989 184264437 /nfs/dbraw/zinc/26/44/37/184264437.db2.gz BKSKXGORQMDGJC-LBPRGKRZSA-N 0 1 309.435 1.347 10 0 DDAEMN Cc1nnc(SCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000120577060 195194213 /nfs/dbraw/zinc/19/42/13/195194213.db2.gz YMYZVNMGHQCAOS-RISCZKNCSA-N 0 1 310.423 1.359 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000120577060 195194216 /nfs/dbraw/zinc/19/42/16/195194216.db2.gz YMYZVNMGHQCAOS-RISCZKNCSA-N 0 1 310.423 1.359 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@@]3(C)CCCO3)CCO2)n[nH]1 ZINC000120708606 195221957 /nfs/dbraw/zinc/22/19/57/195221957.db2.gz DBMCYTDGIOXFQB-XHDPSFHLSA-N 0 1 323.397 1.019 10 0 DDAEMN CN(C)CC(=O)N1CC[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@H]2C1 ZINC000247995223 257112920 /nfs/dbraw/zinc/11/29/20/257112920.db2.gz MMPMIQWFOZDURA-AGIUHOORSA-N 0 1 320.393 1.187 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114409817 407570008 /nfs/dbraw/zinc/57/00/08/407570008.db2.gz WZCWBVUZUJCIJV-RDJZCZTQSA-N 0 1 312.417 1.556 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCCOC)C[C@H]1CC ZINC000172113139 298242251 /nfs/dbraw/zinc/24/22/51/298242251.db2.gz CNOGRCBMQAZBRF-CQSZACIVSA-N 0 1 301.431 1.165 10 0 DDAEMN C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(=O)N(C)C ZINC000080002966 407068646 /nfs/dbraw/zinc/06/86/46/407068646.db2.gz PZZZZTMPEMXSSR-LURJTMIESA-N 0 1 305.161 1.906 10 0 DDAEMN O=C([O-])[C@@H]1C[NH2+]CCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000097805734 407303349 /nfs/dbraw/zinc/30/33/49/407303349.db2.gz MGLAHQHEIOCKNT-CYBMUJFWSA-N 0 1 306.410 1.248 10 0 DDAEMN Cc1n[nH]cc1CCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106914100 407366174 /nfs/dbraw/zinc/36/61/74/407366174.db2.gz YUZFRLLWOITSSS-KRWDZBQOSA-N 0 1 314.433 1.940 10 0 DDAEMN Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113305576 407493029 /nfs/dbraw/zinc/49/30/29/407493029.db2.gz NVHQJASAMQESMX-QWHCGFSZSA-N 0 1 312.410 1.991 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3ccc4c[nH]nc4c3)CCO2)n[nH]1 ZINC000178392804 407440868 /nfs/dbraw/zinc/44/08/68/407440868.db2.gz LDAJSHSNSVMKGK-AWEZNQCLSA-N 0 1 312.377 1.817 10 0 DDAEMN CCN(Cc1cnn(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000114503728 407589031 /nfs/dbraw/zinc/58/90/31/407589031.db2.gz UYFURABITKMJSC-QGZVFWFLSA-N 0 1 303.406 1.820 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3cncs3)C2=O)n(C)n1 ZINC000178628247 407517784 /nfs/dbraw/zinc/51/77/84/407517784.db2.gz SEPGAQSOVMHJJH-LBPRGKRZSA-N 0 1 305.407 1.470 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185897572 407533793 /nfs/dbraw/zinc/53/37/93/407533793.db2.gz KXQDVFAFTQHWGL-JQWIXIFHSA-N 0 1 301.350 1.591 10 0 DDAEMN CSCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000186245631 407620413 /nfs/dbraw/zinc/62/04/13/407620413.db2.gz LWUIHYRLSQOELH-CHWSQXEVSA-N 0 1 303.472 1.226 10 0 DDAEMN O=C(C[C@@H]1CSCCS1)N1CCN2CCCC[C@H]2C1 ZINC000179261086 407761030 /nfs/dbraw/zinc/76/10/30/407761030.db2.gz PNCFAFJOOWPIGU-QWHCGFSZSA-N 0 1 300.493 1.922 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000262191073 407763783 /nfs/dbraw/zinc/76/37/83/407763783.db2.gz CHTRYIHHZFBANZ-CYBMUJFWSA-N 0 1 305.378 1.143 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000262239003 407772729 /nfs/dbraw/zinc/77/27/29/407772729.db2.gz HQBOUHGZVPWSCD-NEPJUHHUSA-N 0 1 314.769 1.034 10 0 DDAEMN O=C(c1cnc([C@@H]2CCCO2)s1)N1CCN2CCC[C@@H]2C1 ZINC000179400197 407782222 /nfs/dbraw/zinc/78/22/22/407782222.db2.gz AQEYDXYDYCAQGS-NEPJUHHUSA-N 0 1 307.419 1.915 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 ZINC000262272910 407782243 /nfs/dbraw/zinc/78/22/43/407782243.db2.gz WAHLIJLTDISASZ-CQSZACIVSA-N 0 1 319.405 1.471 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000262328181 407801482 /nfs/dbraw/zinc/80/14/82/407801482.db2.gz RIEYLLCFUSGXKZ-DLBZAZTESA-N 0 1 314.385 1.897 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2cccc(O)c2)C[C@@H]1CC ZINC000116977434 407804643 /nfs/dbraw/zinc/80/46/43/407804643.db2.gz IOVURRKXLABLCM-INIZCTEOSA-N 0 1 320.433 1.894 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000262352617 407809474 /nfs/dbraw/zinc/80/94/74/407809474.db2.gz UQUPEQRPENEIKM-ZDUSSCGKSA-N 0 1 307.394 1.953 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000262379935 407815798 /nfs/dbraw/zinc/81/57/98/407815798.db2.gz XRGLMRIRBRUETF-YPMHNXCESA-N 0 1 311.357 1.329 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)o1 ZINC000180117837 407854217 /nfs/dbraw/zinc/85/42/17/407854217.db2.gz RQHDCEQKBQNVAX-CYBMUJFWSA-N 0 1 320.349 1.456 10 0 DDAEMN C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1N1CCOCC1 ZINC000180236443 407869426 /nfs/dbraw/zinc/86/94/26/407869426.db2.gz OJZZHPCNNPMHFN-HOCLYGCPSA-N 0 1 306.454 1.791 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)COC2CCCC2)C1 ZINC000262694394 407901761 /nfs/dbraw/zinc/90/17/61/407901761.db2.gz FWHLWRACRZDVPQ-UHFFFAOYSA-N 0 1 324.421 1.389 10 0 DDAEMN O=C(N[C@@H]1CCCn2ncnc21)c1[nH]nc2c1CCCCC2 ZINC000188142271 407918992 /nfs/dbraw/zinc/91/89/92/407918992.db2.gz YECGAHABKNETBO-GFCCVEGCSA-N 0 1 300.366 1.535 10 0 DDAEMN CCCN(CCC)C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263051120 408010720 /nfs/dbraw/zinc/01/07/20/408010720.db2.gz UORFWIVFNREUHS-GHMZBOCLSA-N 0 1 324.343 1.830 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@H](C)C2CCOCC2)CCN1CCOC ZINC000245852926 408078681 /nfs/dbraw/zinc/07/86/81/408078681.db2.gz BUBHEAMQWPRDBH-ZBFHGGJFSA-N 0 1 312.454 1.618 10 0 DDAEMN CN1CCO[C@H](CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000175223717 408082612 /nfs/dbraw/zinc/08/26/12/408082612.db2.gz ULLHCFBNGUADJZ-HUUCEWRRSA-N 0 1 323.824 1.366 10 0 DDAEMN CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N[C@H](C)C(=O)[O-])n1 ZINC000263403722 408130942 /nfs/dbraw/zinc/13/09/42/408130942.db2.gz JYYDJJMESPLMDI-NTZNESFSSA-N 0 1 308.382 1.977 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000263455441 408143597 /nfs/dbraw/zinc/14/35/97/408143597.db2.gz HFFBLYYBAJSUNT-FEPKRQSRSA-N 0 1 311.426 1.611 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H](C)CC2)C1 ZINC000263473038 408148776 /nfs/dbraw/zinc/14/87/76/408148776.db2.gz LVONAEWKGQIRGQ-IYXRBSQSSA-N 0 1 311.426 1.756 10 0 DDAEMN CCOC(=O)c1ccc(CNC2CC([N@@H+](CC)CC(=O)[O-])C2)o1 ZINC000263492749 408154981 /nfs/dbraw/zinc/15/49/81/408154981.db2.gz IWRFLQQRUDCDFW-UHFFFAOYSA-N 0 1 324.377 1.483 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@@H]3CC=CCC3)CCO2)n[nH]1 ZINC000137599260 408158654 /nfs/dbraw/zinc/15/86/54/408158654.db2.gz ZUWHFJHTGAESNA-CHWSQXEVSA-N 0 1 319.409 1.806 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)CCN1CCOC ZINC000139358168 408168443 /nfs/dbraw/zinc/16/84/43/408168443.db2.gz FQRPZEYWJCCKPS-OAHLLOKOSA-N 0 1 323.441 1.087 10 0 DDAEMN CCc1cccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000263579478 408181558 /nfs/dbraw/zinc/18/15/58/408181558.db2.gz UUCHTCWYTWZCHK-MRXNPFEDSA-N 0 1 306.406 1.466 10 0 DDAEMN CCc1ccccc1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263578082 408182100 /nfs/dbraw/zinc/18/21/00/408182100.db2.gz SGKSKBIJRLASBP-INIZCTEOSA-N 0 1 306.406 1.466 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(O)cc2O)CCN1C[C@@H](C)O ZINC000182520563 408183889 /nfs/dbraw/zinc/18/38/89/408183889.db2.gz HGCBBUSOSPBHDO-VXGBXAGGSA-N 0 1 308.378 1.015 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc4nn[nH]c43)C2)c1 ZINC000182764947 408242453 /nfs/dbraw/zinc/24/24/53/408242453.db2.gz MVXNILJQVKUWKW-GFCCVEGCSA-N 0 1 310.361 1.940 10 0 DDAEMN COC(=O)c1cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)oc1C ZINC000246429015 408253544 /nfs/dbraw/zinc/25/35/44/408253544.db2.gz LDHFFIGZELFWEI-LRDDRELGSA-N 0 1 322.405 1.527 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000122150014 408257962 /nfs/dbraw/zinc/25/79/62/408257962.db2.gz XFBFCSMBMOXEBO-JTQLQIEISA-N 0 1 304.362 1.598 10 0 DDAEMN C[C@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1N1CCOCC1 ZINC000246309437 408215309 /nfs/dbraw/zinc/21/53/09/408215309.db2.gz CJPACLRVIMAQRR-DZGCQCFKSA-N 0 1 301.390 1.980 10 0 DDAEMN C[C@H]1CN(Cc2nc3ccccc3o2)C[C@H]1N1CCOCC1 ZINC000246309437 408215315 /nfs/dbraw/zinc/21/53/15/408215315.db2.gz CJPACLRVIMAQRR-DZGCQCFKSA-N 0 1 301.390 1.980 10 0 DDAEMN CC(C)N1CCC[C@@H](N2CC[C@@H](Oc3cccnc3)C2)C1=O ZINC000246681748 408315790 /nfs/dbraw/zinc/31/57/90/408315790.db2.gz MMNVAQNYWOZRCP-HZPDHXFCSA-N 0 1 303.406 1.934 10 0 DDAEMN COC(=O)c1oc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C ZINC000246602232 408301246 /nfs/dbraw/zinc/30/12/46/408301246.db2.gz XNADPAAFNKPVAA-HIFRSBDPSA-N 0 1 322.405 1.527 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246794746 408342397 /nfs/dbraw/zinc/34/23/97/408342397.db2.gz ARWRLMYXSGRXLF-WCQYABFASA-N 0 1 309.414 1.181 10 0 DDAEMN CC[C@@H](NS(=O)(=O)c1scnc1C(=O)OC)C(C)C ZINC000134696631 162083987 /nfs/dbraw/zinc/08/39/87/162083987.db2.gz IEGPWRLKUMDIEM-MRVPVSSYSA-N 0 1 306.409 1.643 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)C[C@@H]1C ZINC000246834177 408351199 /nfs/dbraw/zinc/35/11/99/408351199.db2.gz UAELGPWWETVHBE-STQMWFEESA-N 0 1 310.825 1.796 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246831452 408351452 /nfs/dbraw/zinc/35/14/52/408351452.db2.gz CXNAICWGHSQHDW-ZWNOBZJWSA-N 0 1 309.414 1.180 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC(CC)CC)CCO2)n[nH]1 ZINC000141450785 162134551 /nfs/dbraw/zinc/13/45/51/162134551.db2.gz RTHKECVBWNEODH-LBPRGKRZSA-N 0 1 309.414 1.886 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)c(F)c1 ZINC000246810533 408343973 /nfs/dbraw/zinc/34/39/73/408343973.db2.gz CBUVSWWUHJSOFJ-CHWSQXEVSA-N 0 1 312.410 1.991 10 0 DDAEMN CCN(CC)C(=O)CCCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000171566108 162226006 /nfs/dbraw/zinc/22/60/06/162226006.db2.gz FKBCIRUGPZDCSN-HNNXBMFYSA-N 0 1 309.454 1.722 10 0 DDAEMN COC(=O)[C@H](c1ccccc1)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173661505 162353154 /nfs/dbraw/zinc/35/31/54/162353154.db2.gz LMWABECPMFXWFV-KBPBESRZSA-N 0 1 316.361 1.401 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C)ccc3O)CCO2)n[nH]1 ZINC000173755382 162361821 /nfs/dbraw/zinc/36/18/21/162361821.db2.gz AGCYFBVRDMMLFQ-CYBMUJFWSA-N 0 1 302.334 1.341 10 0 DDAEMN O[C@H](CN1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000173903679 162375261 /nfs/dbraw/zinc/37/52/61/162375261.db2.gz UQIXGCYSCKSQOR-JKSUJKDBSA-N 0 1 310.825 1.780 10 0 DDAEMN CC[C@H]1CN([C@H](C)C(=O)NCCC(C)C)CCN1CCOC ZINC000247175667 408420212 /nfs/dbraw/zinc/42/02/12/408420212.db2.gz NEMIDDYSMVUDKM-CVEARBPZSA-N 0 1 313.486 1.580 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)cn1 ZINC000191791886 408492721 /nfs/dbraw/zinc/49/27/21/408492721.db2.gz SCJUXAOTGYHNJL-OAHLLOKOSA-N 0 1 319.336 1.961 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3cc(C)ccn3)CCO2)n[nH]1 ZINC000184151982 408558680 /nfs/dbraw/zinc/55/86/80/408558680.db2.gz PDBHXHFWQQDUJU-NSHDSACASA-N 0 1 302.338 1.422 10 0 DDAEMN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000248469999 408574669 /nfs/dbraw/zinc/57/46/69/408574669.db2.gz HOHMOVCXLHVEHZ-OLZOCXBDSA-N 0 1 312.410 1.991 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000177164131 408539462 /nfs/dbraw/zinc/53/94/62/408539462.db2.gz FAYXKJNECRBAFY-HNNXBMFYSA-N 0 1 315.421 1.889 10 0 DDAEMN CCOCCN1CCN([C@@H](C)c2nnnn2C2CC2)C[C@H]1C ZINC000248893670 408655664 /nfs/dbraw/zinc/65/56/64/408655664.db2.gz SSNJLVBQASTNFH-OLZOCXBDSA-N 0 1 308.430 1.112 10 0 DDAEMN CCC[C@@H](C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)N(C)C ZINC000185020224 408739834 /nfs/dbraw/zinc/73/98/34/408739834.db2.gz WUJFEJMADXUGBI-CABCVRRESA-N 0 1 318.421 1.424 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000194147739 408768494 /nfs/dbraw/zinc/76/84/94/408768494.db2.gz RFQQNZMYOHDCTE-HNNXBMFYSA-N 0 1 317.389 1.428 10 0 DDAEMN CN(c1cccnn1)C1CCN(CCOCC(F)F)CC1 ZINC000189138973 163086376 /nfs/dbraw/zinc/08/63/76/163086376.db2.gz YNYDARSIHXIJQO-UHFFFAOYSA-N 0 1 300.353 1.659 10 0 DDAEMN O=S(=O)([N-]CC1=CC[NH2+]CC1)c1ccc(F)c(F)c1F ZINC000189298651 163094567 /nfs/dbraw/zinc/09/45/67/163094567.db2.gz OLYXQXNMGGLPDT-UHFFFAOYSA-N 0 1 306.309 1.302 10 0 DDAEMN CCOC(=O)N[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)C(C)C ZINC000195071871 163305628 /nfs/dbraw/zinc/30/56/28/163305628.db2.gz JGHDRRKAONIMHA-ZIAGYGMSSA-N 0 1 311.426 1.454 10 0 DDAEMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245921872 163445010 /nfs/dbraw/zinc/44/50/10/163445010.db2.gz WZZCYBBWDVTQLS-UPJWGTAASA-N 0 1 322.453 1.434 10 0 DDAEMN CCCCCCNC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246411956 163485832 /nfs/dbraw/zinc/48/58/32/163485832.db2.gz KBLQUBGMYZIJNZ-HOTGVXAUSA-N 0 1 311.470 1.335 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000339987330 410598529 /nfs/dbraw/zinc/59/85/29/410598529.db2.gz FSWCVLKNQITIMR-SECBINFHSA-N 0 1 315.215 1.397 10 0 DDAEMN O[C@H](CNc1ccnc2cc(F)ccc21)CN1CCOCC1 ZINC000301723589 410780625 /nfs/dbraw/zinc/78/06/25/410780625.db2.gz LAICBHSFUQHZDF-CYBMUJFWSA-N 0 1 305.353 1.479 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2scnc2C)CCN1C[C@H](C)O ZINC000492663294 420621411 /nfs/dbraw/zinc/62/14/11/420621411.db2.gz OFYSDDXVKXEXAI-KIZSPLDGSA-N 0 1 323.462 1.768 10 0 DDAEMN Cc1cc(C(F)(F)F)nc(N2CC[C@@](O)(c3c[nH]nn3)C2)n1 ZINC000583616529 422197892 /nfs/dbraw/zinc/19/78/92/422197892.db2.gz GNALTFUGHBYDSV-NSHDSACASA-N 0 1 314.271 1.020 10 0 DDAEMN CC1(C)C[C@@H](NC(=O)C[C@@H]2COCCN2)c2ccccc2O1 ZINC000262504482 275857321 /nfs/dbraw/zinc/85/73/21/275857321.db2.gz IZBVUALTZYOLDE-TZMCWYRMSA-N 0 1 304.390 1.784 10 0 DDAEMN CC[N@@H+](CCC(=O)[O-])CC(=O)N1CCSc2ccccc21 ZINC000038024298 276122292 /nfs/dbraw/zinc/12/22/92/276122292.db2.gz DJLLFYQCTASJAX-UHFFFAOYSA-N 0 1 308.403 1.922 10 0 DDAEMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000173953945 279211139 /nfs/dbraw/zinc/21/11/39/279211139.db2.gz WJNFZMCRGOJUEP-TWMKSMIVSA-N 0 1 323.481 1.286 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2scnc2C)CC1 ZINC000492677100 280202734 /nfs/dbraw/zinc/20/27/34/280202734.db2.gz JLPPAXXTATYGCQ-DSYXLKISSA-N 0 1 309.435 1.380 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccnc2)CCN1C[C@@H](C)O ZINC000184733079 280357987 /nfs/dbraw/zinc/35/79/87/280357987.db2.gz KGJMCJQVMXRXTR-IJEWVQPXSA-N 0 1 320.437 1.629 10 0 DDAEMN Cc1ccc(C)c(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000105933194 281051821 /nfs/dbraw/zinc/05/18/21/281051821.db2.gz KBQIRUZPJWBKDG-HUUCEWRRSA-N 0 1 305.422 1.551 10 0 DDAEMN CCN(C(=O)[C@H](C)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000105933667 281052374 /nfs/dbraw/zinc/05/23/74/281052374.db2.gz LMPPIQPVHPNYAZ-HOCLYGCPSA-N 0 1 305.422 1.348 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](COC)C2CC2)CCN1CCOC ZINC000120085281 281112554 /nfs/dbraw/zinc/11/25/54/281112554.db2.gz MRCVNVDFEUMGMP-CABCVRRESA-N 0 1 313.442 1.164 10 0 DDAEMN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN2CCC[C@H]2C1 ZINC000247558473 282060021 /nfs/dbraw/zinc/06/00/21/282060021.db2.gz RIOJFQFKEHLULL-HNNXBMFYSA-N 0 1 306.431 1.644 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)ccn1 ZINC000038009134 295280125 /nfs/dbraw/zinc/28/01/25/295280125.db2.gz CPEPYFILGIVXTQ-YPMHNXCESA-N 0 1 310.423 1.711 10 0 DDAEMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)[C@@H]1CNC(=O)C1 ZINC000172176906 298242572 /nfs/dbraw/zinc/24/25/72/298242572.db2.gz FJQGWLHJMWUNRN-JTQLQIEISA-N 0 1 321.340 1.700 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@@H](C)C3)CCO2)n[nH]1 ZINC000371517317 307152178 /nfs/dbraw/zinc/15/21/78/307152178.db2.gz ZROJHXIMKTXBNK-TUAOUCFPSA-N 0 1 308.382 1.082 10 0 DDAEMN CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)CC(C)(C)O ZINC000671620342 485148212 /nfs/dbraw/zinc/14/82/12/485148212.db2.gz OBGYUDSWXCEQAQ-XJKSGUPXSA-N 0 1 322.453 1.422 10 0 DDAEMN CCc1noc([C@@H](C)N2CCN(CCC3OCCO3)CC2)n1 ZINC000124187104 696740090 /nfs/dbraw/zinc/74/00/90/696740090.db2.gz UOSUQPCIKWUDQM-GFCCVEGCSA-N 0 1 310.398 1.074 10 0 DDAEMN CC(C)N(C)S(=O)(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180826392 697452495 /nfs/dbraw/zinc/45/24/95/697452495.db2.gz KHLAFOPHZMTWTJ-AWEZNQCLSA-N 0 1 313.467 1.682 10 0 DDAEMN Cc1[nH+]ccn1CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000226810562 697767568 /nfs/dbraw/zinc/76/75/68/697767568.db2.gz WHYCRWNUPIRFQS-CQSZACIVSA-N 0 1 317.345 1.961 10 0 DDAEMN CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262098145 698454684 /nfs/dbraw/zinc/45/46/84/698454684.db2.gz DNSSPRMSSLIWEO-MXWKQRLJSA-N 0 1 322.327 1.582 10 0 DDAEMN CCCC1(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)CCC1 ZINC000262905991 698483808 /nfs/dbraw/zinc/48/38/08/698483808.db2.gz QECMCJWSPYXSOQ-ZDUSSCGKSA-N 0 1 312.410 1.201 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H](C)[C@H]2C)C1 ZINC000262946127 698485116 /nfs/dbraw/zinc/48/51/16/698485116.db2.gz AGNROPSYBXZJKI-MRFVTOPCSA-N 0 1 311.426 1.754 10 0 DDAEMN Cc1cc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)on1 ZINC000702845557 699234229 /nfs/dbraw/zinc/23/42/29/699234229.db2.gz NONWLIROXLXHDD-DGCLKSJQSA-N 0 1 311.382 1.300 10 0 DDAEMN O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720638343 699307001 /nfs/dbraw/zinc/30/70/01/699307001.db2.gz VKPKLHZKGGTFLX-ZCFIWIBFSA-N 0 1 312.127 1.533 10 0 DDAEMN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720637281 699307118 /nfs/dbraw/zinc/30/71/18/699307118.db2.gz MPXHYTMBTQVNJS-SNVBAGLBSA-N 0 1 322.166 1.940 10 0 DDAEMN COCc1nc(CNC[C@@]2(OC(C)C)CCOC2)cs1 ZINC000722345373 699317661 /nfs/dbraw/zinc/31/76/61/699317661.db2.gz REPOGBVVVYJGPU-AWEZNQCLSA-N 0 1 300.424 1.963 10 0 DDAEMN NC(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1cc2n(n1)CCC2 ZINC000844320954 703013051 /nfs/dbraw/zinc/01/30/51/703013051.db2.gz SBLVAQMPSVKZCQ-CQSZACIVSA-N 0 1 314.393 1.379 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(Cc3ccon3)C2)ccn1 ZINC000886026733 708683833 /nfs/dbraw/zinc/68/38/33/708683833.db2.gz RRCFFKIFJZWTCF-INIZCTEOSA-N 0 1 302.378 1.785 10 0 DDAEMN CN1C(=O)C[C@@H](CNc2ncnc3[nH]cnc32)[C@@H]1c1cccnc1 ZINC000886048338 708688748 /nfs/dbraw/zinc/68/87/48/708688748.db2.gz LYBRISACVDTNQI-FZMZJTMJSA-N 0 1 323.360 1.331 10 0 DDAEMN O=S1(=O)CCC[C@@H]1CN[C@H](CO)c1ccc(Cl)cc1 ZINC000930509844 713853546 /nfs/dbraw/zinc/85/35/46/713853546.db2.gz NYDXTVHXOGSTOY-CHWSQXEVSA-N 0 1 303.811 1.540 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CCN1C[C@H](C)O ZINC000248457213 282084947 /nfs/dbraw/zinc/08/49/47/282084947.db2.gz ONEWSAQJXJWTPB-GOEBONIOSA-N 0 1 320.437 1.377 10 0 DDAEMN Cc1ccc(CCNC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000248598836 282092567 /nfs/dbraw/zinc/09/25/67/282092567.db2.gz IQBSLCGLAFOLFI-GJZGRUSLSA-N 0 1 320.437 1.029 10 0 DDAEMN COc1ccc([C@H]([NH3+])CSc2nccc(=O)[n-]2)cc1OC ZINC000081775556 192323458 /nfs/dbraw/zinc/32/34/58/192323458.db2.gz RTKOCCKYPBNHQW-SNVBAGLBSA-N 0 1 307.375 1.992 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076962735 185062165 /nfs/dbraw/zinc/06/21/65/185062165.db2.gz FBAQQDHNYXDRQZ-LLVKDONJSA-N 0 1 308.382 1.591 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ncccc2C)CC[N@H+]1C[C@H](C)O ZINC000248765656 282107206 /nfs/dbraw/zinc/10/72/06/282107206.db2.gz ZMTDGTJJAGQUNP-APPUJDCNSA-N 0 1 317.433 1.707 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ncccc2C)CCN1C[C@H](C)O ZINC000248765656 282107209 /nfs/dbraw/zinc/10/72/09/282107209.db2.gz ZMTDGTJJAGQUNP-APPUJDCNSA-N 0 1 317.433 1.707 10 0 DDAEMN C[C@H](CS(C)(=O)=O)NCc1cc2c(c(Cl)c1)OCO2 ZINC000081902549 192336155 /nfs/dbraw/zinc/33/61/55/192336155.db2.gz DOIPIPRJWXFYOG-MRVPVSSYSA-N 0 1 305.783 1.591 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944079 192343889 /nfs/dbraw/zinc/34/38/89/192343889.db2.gz BYEIJRVZOYDDJJ-AWEZNQCLSA-N 0 1 301.408 1.407 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(c2nc(C(C)C)ns2)CC1 ZINC000087639953 185229723 /nfs/dbraw/zinc/22/97/23/185229723.db2.gz DMOIJZYEJBOZND-SNVBAGLBSA-N 0 1 313.496 1.848 10 0 DDAEMN O=C1CNCCCN1Cc1ccc(Br)cc1F ZINC000087882224 185234499 /nfs/dbraw/zinc/23/44/99/185234499.db2.gz FNSLHVNMYLHWKS-UHFFFAOYSA-N 0 1 301.159 1.910 10 0 DDAEMN CN[C@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975375 192347809 /nfs/dbraw/zinc/34/78/09/192347809.db2.gz WXXHJBVKLIMKCC-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN CCNCc1nnnn1-c1ccc(OC)c(Br)c1 ZINC000088322408 185245789 /nfs/dbraw/zinc/24/57/89/185245789.db2.gz WRUSKCUTHKDFHM-UHFFFAOYSA-N 0 1 312.171 1.543 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000183641115 539242705 /nfs/dbraw/zinc/24/27/05/539242705.db2.gz IIQJVXNLWRFRED-BLLLJJGKSA-N 0 1 323.412 1.705 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCCO[C@H](C)C2)o1 ZINC000088544551 185257189 /nfs/dbraw/zinc/25/71/89/185257189.db2.gz JUCIFRDWKAZDNT-LLVKDONJSA-N 0 1 302.396 1.189 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000088893623 185269952 /nfs/dbraw/zinc/26/99/52/185269952.db2.gz PSNHHMAYOZOLDG-NEPJUHHUSA-N 0 1 307.375 1.045 10 0 DDAEMN Cc1csc([C@H](C)NS(=O)(=O)c2c(C)[nH]nc2CO)n1 ZINC000088902744 185270475 /nfs/dbraw/zinc/27/04/75/185270475.db2.gz IOQLZSAQKRUDCD-QMMMGPOBSA-N 0 1 316.408 1.015 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000092663401 185332305 /nfs/dbraw/zinc/33/23/05/185332305.db2.gz FXQVEDIICVHFQC-RYUDHWBXSA-N 0 1 317.455 1.318 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627830 185330519 /nfs/dbraw/zinc/33/05/19/185330519.db2.gz BBIQWOUDRSCMAT-LLVKDONJSA-N 0 1 317.842 1.840 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(F)c(F)c2)n[nH]1 ZINC000080526984 192164989 /nfs/dbraw/zinc/16/49/89/192164989.db2.gz DOHUSNYDNXUZJF-UHFFFAOYSA-N 0 1 302.306 1.212 10 0 DDAEMN COc1ccc(OC)c([C@@H](N)C[S@@](=O)C2CCOCC2)c1 ZINC000084054313 192397273 /nfs/dbraw/zinc/39/72/73/192397273.db2.gz IFBKDLAXUIONOW-QKKBWIMNSA-N 0 1 313.419 1.631 10 0 DDAEMN CS(=O)(=O)c1ccc([S@@](=O)C[C@H](N)c2ccccc2)cc1 ZINC000084055928 192398080 /nfs/dbraw/zinc/39/80/80/192398080.db2.gz FEVJEQKBBMAGHW-MGPUTAFESA-N 0 1 323.439 1.898 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000173579920 198229892 /nfs/dbraw/zinc/22/98/92/198229892.db2.gz SWJRTXQTUVNMLM-CYBMUJFWSA-N 0 1 300.362 1.889 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CC[N@H+]1C[C@@H](C)O ZINC000174592138 198356926 /nfs/dbraw/zinc/35/69/26/198356926.db2.gz GSHYQLOHMQFQMO-DGCLKSJQSA-N 0 1 313.829 1.596 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CCN1C[C@@H](C)O ZINC000174592138 198356927 /nfs/dbraw/zinc/35/69/27/198356927.db2.gz GSHYQLOHMQFQMO-DGCLKSJQSA-N 0 1 313.829 1.596 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@H]3c3ccccn3)[C@@H](O)[C@H]2O1 ZINC000106385119 353939181 /nfs/dbraw/zinc/93/91/81/353939181.db2.gz BROBLMZLNSWKNT-UYJHQMFVSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccccn3)[C@@H](O)[C@H]2O1 ZINC000106385119 353939185 /nfs/dbraw/zinc/93/91/85/353939185.db2.gz BROBLMZLNSWKNT-UYJHQMFVSA-N 0 1 320.389 1.456 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)n[nH]1 ZINC000112060830 353970041 /nfs/dbraw/zinc/97/00/41/353970041.db2.gz AYVCXKFJBQGTNA-CQSZACIVSA-N 0 1 317.393 1.408 10 0 DDAEMN COc1ccccc1NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000074945906 191393728 /nfs/dbraw/zinc/39/37/28/191393728.db2.gz BWXMQOTZWZFWCG-UHFFFAOYSA-N 0 1 320.326 1.931 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000075518361 191484742 /nfs/dbraw/zinc/48/47/42/191484742.db2.gz YBLVARUIMMASFY-JOYOIKCWSA-N 0 1 303.387 1.974 10 0 DDAEMN CC[C@]1(C)CSC(NCc2ccc(S(N)(=O)=O)cc2)=N1 ZINC000080883325 192198712 /nfs/dbraw/zinc/19/87/12/192198712.db2.gz DJKLYIWJSHJWDW-CYBMUJFWSA-N 0 1 313.448 1.695 10 0 DDAEMN O=S(=O)(c1ccccc1CNC1CC1)N1CCSCC1 ZINC000088931608 192661617 /nfs/dbraw/zinc/66/16/17/192661617.db2.gz VXYDBIVOZIWWHO-UHFFFAOYSA-N 0 1 312.460 1.676 10 0 DDAEMN O[C@H](CN1CCN(CC2=CCCOC2)CC1)c1ccccc1 ZINC000179504894 199047825 /nfs/dbraw/zinc/04/78/25/199047825.db2.gz PJPUQLNLBNQVRL-GOSISDBHSA-N 0 1 302.418 1.684 10 0 DDAEMN Cc1oc(C)c(S(=O)(=O)N(C)C[C@H]2CCCOC2)c1CN ZINC000089037570 192712434 /nfs/dbraw/zinc/71/24/34/192712434.db2.gz URVGTLQCLXKSQX-GFCCVEGCSA-N 0 1 316.423 1.402 10 0 DDAEMN CC[C@@H]1CN(Cc2cncc(OC)n2)C[C@H]1N1CCOCC1 ZINC000625228130 366788117 /nfs/dbraw/zinc/78/81/17/366788117.db2.gz QMTBUCIMUCYSOL-UKRRQHHQSA-N 0 1 306.410 1.028 10 0 DDAEMN CC(=O)c1cc(C(=O)N2CCO[C@H](CN(C)C)C2)ccc1C ZINC000194140721 201186060 /nfs/dbraw/zinc/18/60/60/201186060.db2.gz UXRYTQHSEBEFSB-OAHLLOKOSA-N 0 1 304.390 1.600 10 0 DDAEMN CCc1nn(CC)c(CN2C[C@H]3CNCCN3C2=O)c1Cl ZINC000091750794 193101325 /nfs/dbraw/zinc/10/13/25/193101325.db2.gz YHOJPZIKTSXEAN-SNVBAGLBSA-N 0 1 311.817 1.328 10 0 DDAEMN COC(=O)c1c2c(sc1NC(=O)N1CCCC1)CNCC2 ZINC000091968493 193133658 /nfs/dbraw/zinc/13/36/58/193133658.db2.gz YZWGDXHIHIAIAC-UHFFFAOYSA-N 0 1 309.391 1.808 10 0 DDAEMN C[C@H](C(=O)Nc1cccc(C(N)=S)c1)N(C)CC(C)(C)O ZINC000092967133 193189839 /nfs/dbraw/zinc/18/98/39/193189839.db2.gz SUVMANPKJQBBBB-SNVBAGLBSA-N 0 1 309.435 1.351 10 0 DDAEMN CN[C@@H](C(=O)N(C)c1ccc(OC)c(F)c1)c1cnn(C)c1 ZINC000262577873 203335844 /nfs/dbraw/zinc/33/58/44/203335844.db2.gz TZJXVIFBXBBVQS-CQSZACIVSA-N 0 1 306.341 1.491 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)NC[C@H]1CCCCN1C ZINC000093648656 193282907 /nfs/dbraw/zinc/28/29/07/193282907.db2.gz LZXLCUZRXZYNPA-CQSZACIVSA-N 0 1 311.451 1.648 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853725 193320160 /nfs/dbraw/zinc/32/01/60/193320160.db2.gz LXVHIYMPFPNTPX-UFBFGSQYSA-N 0 1 316.452 1.509 10 0 DDAEMN CCCN1CCO[C@H](c2ncc(Br)c(=O)[nH]2)C1 ZINC000093917403 193328292 /nfs/dbraw/zinc/32/82/92/193328292.db2.gz QUNUELYJCSKCHI-VIFPVBQESA-N 0 1 302.172 1.316 10 0 DDAEMN O=C([C@@H]1CCCN1c1ncc(Cl)cc1F)N1CCNCC1 ZINC000094052498 193341613 /nfs/dbraw/zinc/34/16/13/193341613.db2.gz HBEFELZJJGQIEL-LBPRGKRZSA-N 0 1 312.776 1.275 10 0 DDAEMN Cc1cc(NC(=O)[C@@H]2CNCCO2)ncc1Br ZINC000094063532 193342489 /nfs/dbraw/zinc/34/24/89/193342489.db2.gz HUIIIOUWTXQGJE-VIFPVBQESA-N 0 1 300.156 1.079 10 0 DDAEMN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[C@H](c2nc[nH]n2)C1 ZINC000333532751 249014610 /nfs/dbraw/zinc/01/46/10/249014610.db2.gz YLGLQBWLGIRXEA-CMPLNLGQSA-N 0 1 311.345 1.247 10 0 DDAEMN CN1CCCN(C(=O)c2ccc(Br)c(N)c2)CC1 ZINC000040301854 183052963 /nfs/dbraw/zinc/05/29/63/183052963.db2.gz BZAQOZIRAOZTLU-UHFFFAOYSA-N 0 1 312.211 1.809 10 0 DDAEMN Cc1nc2ccc(NS(=O)(=O)c3sc(=O)[nH]c3C)cc2[nH]1 ZINC000040830056 183139648 /nfs/dbraw/zinc/13/96/48/183139648.db2.gz IVJHIYKRWOVHAI-UHFFFAOYSA-N 0 1 324.387 1.730 10 0 DDAEMN Nc1csc(S(=O)(=O)NCCN2CCCCCC2)c1 ZINC000041068627 183162237 /nfs/dbraw/zinc/16/22/37/183162237.db2.gz UYLDLVZUSCISDI-UHFFFAOYSA-N 0 1 303.453 1.485 10 0 DDAEMN CC(C)N(C)S(=O)(=O)c1cc(Br)c[nH]c1=NN ZINC000041069943 183162520 /nfs/dbraw/zinc/16/25/20/183162520.db2.gz RBDSIKHGZPSPFF-UHFFFAOYSA-N 0 1 323.216 1.159 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)c1cncc(Br)c1 ZINC000042253017 183247672 /nfs/dbraw/zinc/24/76/72/183247672.db2.gz NEKARMKVMAARPR-LBPRGKRZSA-N 0 1 310.195 1.668 10 0 DDAEMN C[C@]1(NC[C@@H](O)c2ccc(F)c(F)c2)CCS(=O)(=O)C1 ZINC000044930249 183459452 /nfs/dbraw/zinc/45/94/52/183459452.db2.gz BVXIFWMLSZFRAJ-OLZOCXBDSA-N 0 1 305.346 1.165 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000105826769 194138751 /nfs/dbraw/zinc/13/87/51/194138751.db2.gz FIXNBCRRKPFPJD-YCPHGPKFSA-N 0 1 313.486 1.457 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806910 194134355 /nfs/dbraw/zinc/13/43/55/194134355.db2.gz HEEAVZOOERJDAN-AWEZNQCLSA-N 0 1 319.453 1.634 10 0 DDAEMN CC[C@H]1CN(Cc2nnc(C(C)C)n2C)CCN1CCOC ZINC000105837354 194144277 /nfs/dbraw/zinc/14/42/77/194144277.db2.gz QYFQCAKRDXPSAU-AWEZNQCLSA-N 0 1 309.458 1.481 10 0 DDAEMN COc1ccc(CN[C@@H]2CCCNC2=O)cc1Br ZINC000050395078 183784322 /nfs/dbraw/zinc/78/43/22/183784322.db2.gz OPIJFEOYHADDAF-LLVKDONJSA-N 0 1 313.195 1.826 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)CCc2ccco2)CC1 ZINC000109465950 194266538 /nfs/dbraw/zinc/26/65/38/194266538.db2.gz DNZLYHKVXDGCCC-UHFFFAOYSA-N 0 1 309.435 1.421 10 0 DDAEMN CCNC(=O)[C@H](C)NCc1ccc(O)c(Br)c1 ZINC000057988209 184064992 /nfs/dbraw/zinc/06/49/92/184064992.db2.gz WUCLFHPPEVNIJC-QMMMGPOBSA-N 0 1 301.184 1.769 10 0 DDAEMN CC[N@@H+](CC(=O)NC(=O)NCCC(C)C)[C@@H](C)CC(=O)[O-] ZINC000061182902 184165373 /nfs/dbraw/zinc/16/53/73/184165373.db2.gz PCFZWLKCUCQPRC-NSHDSACASA-N 0 1 301.387 1.043 10 0 DDAEMN COCCCN(C)[C@@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000062031587 184202159 /nfs/dbraw/zinc/20/21/59/184202159.db2.gz RLFDLDBFZKQJSY-NSHDSACASA-N 0 1 309.435 1.616 10 0 DDAEMN COCCNCc1cc(Cl)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000062733004 184251105 /nfs/dbraw/zinc/25/11/05/184251105.db2.gz IDPLCXFHOKDWIJ-QMMMGPOBSA-N 0 1 321.204 1.982 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1N ZINC000063051390 184268889 /nfs/dbraw/zinc/26/88/89/184268889.db2.gz PACCSWLHLISJOV-UHFFFAOYSA-N 0 1 317.842 1.639 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCCn1ccnc1 ZINC000154927724 197006355 /nfs/dbraw/zinc/00/63/55/197006355.db2.gz VLOMNNUCVQTKOQ-KRWDZBQOSA-N 0 1 314.433 1.905 10 0 DDAEMN COCCN1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000120807657 195242507 /nfs/dbraw/zinc/24/25/07/195242507.db2.gz MCWXCEQNXBGODC-CQSZACIVSA-N 0 1 305.422 1.798 10 0 DDAEMN Cn1cccc1C(=O)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000248163573 257107493 /nfs/dbraw/zinc/10/74/93/257107493.db2.gz YVDHTNUMCREWNY-CVEARBPZSA-N 0 1 310.401 1.909 10 0 DDAEMN CCc1nnc([C@@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)[nH]1 ZINC000123957705 407343687 /nfs/dbraw/zinc/34/36/87/407343687.db2.gz WOIZUZCBZJHGIO-LBPRGKRZSA-N 0 1 320.324 1.426 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)n[nH]1 ZINC000123957705 407343688 /nfs/dbraw/zinc/34/36/88/407343688.db2.gz WOIZUZCBZJHGIO-LBPRGKRZSA-N 0 1 320.324 1.426 10 0 DDAEMN Cc1cccc(C)c1NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000105932619 407358134 /nfs/dbraw/zinc/35/81/34/407358134.db2.gz MJDKMLISTHLNPJ-GJZGRUSLSA-N 0 1 305.422 1.551 10 0 DDAEMN CN(c1ncnc2[nH]cnc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000108946603 407393260 /nfs/dbraw/zinc/39/32/60/407393260.db2.gz NBTCMIGNPJSGMU-LLVKDONJSA-N 0 1 310.365 1.248 10 0 DDAEMN O=C(Nc1cncnc1N1CCCC1)c1ccn2cncc2c1 ZINC000170595300 407444489 /nfs/dbraw/zinc/44/44/89/407444489.db2.gz JWSSWEVYDHMSNX-UHFFFAOYSA-N 0 1 308.345 1.977 10 0 DDAEMN CCC(CC)N1C[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)CC1=O ZINC000195247630 407446409 /nfs/dbraw/zinc/44/64/09/407446409.db2.gz ICTIBCIPOXNJAS-GDBMZVCRSA-N 0 1 321.465 1.720 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000261757342 407603343 /nfs/dbraw/zinc/60/33/43/407603343.db2.gz PMEAXQJXAIVHMU-ZBFHGGJFSA-N 0 1 314.433 1.638 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3nc(C)sc3C)CCO2)n[nH]1 ZINC000178770398 407592213 /nfs/dbraw/zinc/59/22/13/407592213.db2.gz WOCBYOQJLXGXJR-JTQLQIEISA-N 0 1 307.379 1.400 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3nc(C)sc3C)CCO2)n[nH]1 ZINC000178770647 407592889 /nfs/dbraw/zinc/59/28/89/407592889.db2.gz PBRSGDALHLBLQO-JTQLQIEISA-N 0 1 321.406 1.654 10 0 DDAEMN CCOC(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171629481 407726549 /nfs/dbraw/zinc/72/65/49/407726549.db2.gz UOWIKOUKBVRESN-INIZCTEOSA-N 0 1 306.406 1.291 10 0 DDAEMN Cn1cc([C@@H]2CC[N@H+](Cc3nc(=O)c4sccc4[n-]3)C2)cn1 ZINC000116311555 407741909 /nfs/dbraw/zinc/74/19/09/407741909.db2.gz IOQQCDFABXPQFS-SNVBAGLBSA-N 0 1 315.402 1.708 10 0 DDAEMN Cn1cc([C@@H]2CC[N@@H+](Cc3nc(=O)c4sccc4[n-]3)C2)cn1 ZINC000116311555 407741916 /nfs/dbraw/zinc/74/19/16/407741916.db2.gz IOQQCDFABXPQFS-SNVBAGLBSA-N 0 1 315.402 1.708 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000262211569 407766079 /nfs/dbraw/zinc/76/60/79/407766079.db2.gz DXVLSNVUHGAAFA-QMTHXVAHSA-N 0 1 305.378 1.186 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000262210388 407766212 /nfs/dbraw/zinc/76/62/12/407766212.db2.gz DWVRLETWEMTAIP-GXTWGEPZSA-N 0 1 312.385 1.709 10 0 DDAEMN CN1CCO[C@H]2CN(c3nc(-c4ccccc4)ns3)C[C@@H]21 ZINC000153166288 407770801 /nfs/dbraw/zinc/77/08/01/407770801.db2.gz RSVQFQLUIIYAQT-STQMWFEESA-N 0 1 302.403 1.724 10 0 DDAEMN CCOCCN1CCN(C(=O)c2cc(CC)[nH]n2)C[C@@H]1CC ZINC000116767923 407771552 /nfs/dbraw/zinc/77/15/52/407771552.db2.gz GWBWGDBCXJLKED-AWEZNQCLSA-N 0 1 308.426 1.545 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000262384443 407818753 /nfs/dbraw/zinc/81/87/53/407818753.db2.gz YHDAJFZFNJBARF-INIZCTEOSA-N 0 1 306.406 1.988 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000262396568 407823703 /nfs/dbraw/zinc/82/37/03/407823703.db2.gz ZHEWLHSGODNJHE-HNNXBMFYSA-N 0 1 306.406 1.133 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262447292 407837305 /nfs/dbraw/zinc/83/73/05/407837305.db2.gz GTYQOBUAYQJACY-OLZOCXBDSA-N 0 1 313.442 1.161 10 0 DDAEMN COC(=O)c1ccccc1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000180103762 407856749 /nfs/dbraw/zinc/85/67/49/407856749.db2.gz BUBNOCZILSLFEY-AWEZNQCLSA-N 0 1 316.361 1.473 10 0 DDAEMN CCN(CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1)C1CC1 ZINC000153628371 407865518 /nfs/dbraw/zinc/86/55/18/407865518.db2.gz YZDXCMFVRGGRTK-GFCCVEGCSA-N 0 1 305.426 1.317 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000118858438 407957506 /nfs/dbraw/zinc/95/75/06/407957506.db2.gz JMGGUZYYQGKCNI-INIZCTEOSA-N 0 1 306.406 1.362 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCCSC)CCN1C[C@@H](C)O ZINC000174611085 407970772 /nfs/dbraw/zinc/97/07/72/407970772.db2.gz WNCXZVIUUZFWCL-KGLIPLIRSA-N 0 1 302.484 1.823 10 0 DDAEMN Cc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174319723 407930264 /nfs/dbraw/zinc/93/02/64/407930264.db2.gz CTRYWVZKZRYWSG-HZPDHXFCSA-N 0 1 304.434 1.841 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2ccnc(Cl)c2)C[C@H]1C ZINC000245603943 408026348 /nfs/dbraw/zinc/02/63/48/408026348.db2.gz XMFHZSZZRSYKJO-HNFMAKEJSA-N 0 1 323.824 1.662 10 0 DDAEMN C[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000154393676 408030612 /nfs/dbraw/zinc/03/06/12/408030612.db2.gz DTNSKOCDJGVESU-CYBMUJFWSA-N 0 1 317.433 1.593 10 0 DDAEMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000263015832 408004277 /nfs/dbraw/zinc/00/42/77/408004277.db2.gz QHZMGHAOFSHPJB-AWEZNQCLSA-N 0 1 324.375 1.159 10 0 DDAEMN CC(C)N1CC[C@@H](N2CCC(N(C)c3cccnn3)CC2)C1=O ZINC000175186927 408071197 /nfs/dbraw/zinc/07/11/97/408071197.db2.gz BWGZMISDIIQITF-OAHLLOKOSA-N 0 1 317.437 1.387 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)c2ccc(F)cc2)C1 ZINC000263510831 408161110 /nfs/dbraw/zinc/16/11/10/408161110.db2.gz XPROLNNOAXBZHZ-UHFFFAOYSA-N 0 1 323.368 1.909 10 0 DDAEMN NC(=O)c1csc(CN2CCC(Cn3cccn3)CC2)c1 ZINC000122116773 408250658 /nfs/dbraw/zinc/25/06/58/408250658.db2.gz NYUTWLDNQJWHIU-UHFFFAOYSA-N 0 1 304.419 1.956 10 0 DDAEMN O=C1[C@@H](N2CCN3CCCC[C@H]3C2)CCN1CC(F)(F)F ZINC000246270375 408197570 /nfs/dbraw/zinc/19/75/70/408197570.db2.gz ZUDCKFWMQLKVOI-RYUDHWBXSA-N 0 1 305.344 1.320 10 0 DDAEMN CCCCSCCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246712182 408321555 /nfs/dbraw/zinc/32/15/55/408321555.db2.gz KWPRSUXAZZUKRM-KBPBESRZSA-N 0 1 302.484 1.823 10 0 DDAEMN COCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190539183 408270998 /nfs/dbraw/zinc/27/09/98/408270998.db2.gz SDVNEIJIJXHIAW-CYBMUJFWSA-N 0 1 311.451 1.768 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cnn(CC(C)C)c3)CCO2)n[nH]1 ZINC000183207811 408351573 /nfs/dbraw/zinc/35/15/73/408351573.db2.gz ILVWZLJBPYAFCF-ZDUSSCGKSA-N 0 1 318.381 1.179 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000139554473 162131693 /nfs/dbraw/zinc/13/16/93/162131693.db2.gz SEQZIDYSUDYICQ-BBRMVZONSA-N 0 1 306.410 1.671 10 0 DDAEMN CC(C)COC[C@H](O)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000176354893 408345989 /nfs/dbraw/zinc/34/59/89/408345989.db2.gz WVBKSZJQARKFRW-SJORKVTESA-N 0 1 322.449 1.309 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccccc3C)CCO2)n[nH]1 ZINC000173529389 162345563 /nfs/dbraw/zinc/34/55/63/162345563.db2.gz WVACESLFMWIEBH-AWEZNQCLSA-N 0 1 300.362 1.564 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000173528641 162346006 /nfs/dbraw/zinc/34/60/06/162346006.db2.gz CKZNUKZWDCZOCV-GFCCVEGCSA-N 0 1 308.288 1.605 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173528313 162346017 /nfs/dbraw/zinc/34/60/17/162346017.db2.gz SDZWTZPKZXDFLB-AWEZNQCLSA-N 0 1 300.362 1.944 10 0 DDAEMN CC(=O)c1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173600211 162350840 /nfs/dbraw/zinc/35/08/40/162350840.db2.gz HTDGAQWSDWPNFX-AWEZNQCLSA-N 0 1 314.345 1.529 10 0 DDAEMN CCCCc1noc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)n1 ZINC000173655769 162353495 /nfs/dbraw/zinc/35/34/95/162353495.db2.gz CSKMBLQPOSCLLR-NSHDSACASA-N 0 1 306.370 1.412 10 0 DDAEMN CCc1nc([C@@H]2CN(S(=O)(=O)CCC(C)C)CCO2)n[nH]1 ZINC000173737945 162360792 /nfs/dbraw/zinc/36/07/92/162360792.db2.gz FCSWMWZIBWCHGL-NSHDSACASA-N 0 1 316.427 1.116 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2ccncn2)C[C@H]1CC ZINC000191251636 408395524 /nfs/dbraw/zinc/39/55/24/408395524.db2.gz SVDUJPXUHAHLLP-MRXNPFEDSA-N 0 1 320.437 1.369 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CCN1C[C@H](C)O ZINC000247083768 408403766 /nfs/dbraw/zinc/40/37/66/408403766.db2.gz HDSMXMUQBKXLJS-XJKSGUPXSA-N 0 1 323.412 1.541 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3cccc(F)c3)CCO2)n[nH]1 ZINC000176941475 408478990 /nfs/dbraw/zinc/47/89/90/408478990.db2.gz KWJVRVHPVKRXFF-GFCCVEGCSA-N 0 1 305.313 1.858 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2F)CCN1C[C@H](C)O ZINC000247697166 408504778 /nfs/dbraw/zinc/50/47/78/408504778.db2.gz WXVDCDOKGFSJGT-DZGCQCFKSA-N 0 1 323.412 1.812 10 0 DDAEMN COC(=O)c1sccc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247395875 408464781 /nfs/dbraw/zinc/46/47/81/408464781.db2.gz XUQAKAHBYYPESG-NSHDSACASA-N 0 1 323.418 1.253 10 0 DDAEMN Cc1cc(N2CC[C@H](N3CCN4CCCC[C@H]4C3)C2=O)n(C)n1 ZINC000248371727 408553717 /nfs/dbraw/zinc/55/37/17/408553717.db2.gz YZESRFQELPQBNJ-GJZGRUSLSA-N 0 1 317.437 1.004 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@H]1C ZINC000192398510 408584798 /nfs/dbraw/zinc/58/47/98/408584798.db2.gz VPKARLLBUUBUSC-CHWSQXEVSA-N 0 1 314.426 1.022 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(OCCC(N)=O)cc1)N(C)C ZINC000161594068 408616853 /nfs/dbraw/zinc/61/68/53/408616853.db2.gz CXRKWVARPLHVIZ-CQSZACIVSA-N 0 1 307.394 1.610 10 0 DDAEMN CC[C@@H](C(=O)OC(C)(C)C)N1CCN(CCOC)[C@@H](C)C1 ZINC000248848091 408646853 /nfs/dbraw/zinc/64/68/53/408646853.db2.gz NRQXPCSOSAFLIN-KBPBESRZSA-N 0 1 300.443 1.759 10 0 DDAEMN CCc1ccccc1CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248980358 408668708 /nfs/dbraw/zinc/66/87/08/408668708.db2.gz VFIRQJZAXXLTFR-CABCVRRESA-N 0 1 304.434 1.705 10 0 DDAEMN Cc1cnc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000249164661 408702965 /nfs/dbraw/zinc/70/29/65/408702965.db2.gz JWOJCBLHXJGMCL-MWLCHTKSSA-N 0 1 308.407 1.085 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000195053244 408809146 /nfs/dbraw/zinc/80/91/46/408809146.db2.gz RJCSMSBRDWRADF-LSDHHAIUSA-N 0 1 307.438 1.332 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195053244 408809149 /nfs/dbraw/zinc/80/91/49/408809149.db2.gz RJCSMSBRDWRADF-LSDHHAIUSA-N 0 1 307.438 1.332 10 0 DDAEMN CCc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)n[nH]1 ZINC000249738850 408759075 /nfs/dbraw/zinc/75/90/75/408759075.db2.gz HGXCHYAAAQRJGU-HONMWMINSA-N 0 1 305.378 1.918 10 0 DDAEMN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000189325468 163094871 /nfs/dbraw/zinc/09/48/71/163094871.db2.gz FDQGJKCZAZAPBB-APPZFPTMSA-N 0 1 308.325 1.523 10 0 DDAEMN COc1ncccc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000193335561 163253115 /nfs/dbraw/zinc/25/31/15/163253115.db2.gz OIAUXAGBVZZCTF-HNNXBMFYSA-N 0 1 313.405 1.981 10 0 DDAEMN Cc1ccccc1C(=O)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195319226 163315602 /nfs/dbraw/zinc/31/56/02/163315602.db2.gz SJQSDALZWKGREQ-OAHLLOKOSA-N 0 1 315.417 1.422 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000262304390 163802669 /nfs/dbraw/zinc/80/26/69/163802669.db2.gz OHDPVAKQIXQMLB-UKRRQHHQSA-N 0 1 322.405 1.000 10 0 DDAEMN NC(=O)c1cnccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186151987 306717575 /nfs/dbraw/zinc/71/75/75/306717575.db2.gz WGBHLOLAWATLAH-AAEUAGOBSA-N 0 1 303.387 1.454 10 0 DDAEMN O=c1[nH]cnc(N[C@H]2CCC[C@@H]2O)c1I ZINC000306502536 409773901 /nfs/dbraw/zinc/77/39/01/409773901.db2.gz UGFTVPJFXRDWDI-WDSKDSINSA-N 0 1 321.118 1.112 10 0 DDAEMN O=C(COCc1ccccc1)NC1=NNC(=O)[C@H]1c1ccccc1 ZINC000101043226 418493657 /nfs/dbraw/zinc/49/36/57/418493657.db2.gz UIVKNXJMSMTMLK-INIZCTEOSA-N 0 1 323.352 1.547 10 0 DDAEMN COc1ccc(NC(=O)CCN2CCCNC(=O)[C@H]2C)cc1 ZINC000189282530 418521389 /nfs/dbraw/zinc/52/13/89/418521389.db2.gz MMJNSMXCLTVWND-GFCCVEGCSA-N 0 1 305.378 1.234 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3O[C@H](C)C[C@H]3C)CCO2)n[nH]1 ZINC000367074038 418556262 /nfs/dbraw/zinc/55/62/62/418556262.db2.gz WDHWHLIUWCEPJL-HNCHTBHHSA-N 0 1 308.382 1.081 10 0 DDAEMN CC(C)(C)/C=C/C(=O)N1CCC[C@H](c2[nH]ncc2C(N)=O)C1 ZINC000375629202 418665703 /nfs/dbraw/zinc/66/57/03/418665703.db2.gz GSYUFTFDEOWPRD-MLRMMBSGSA-N 0 1 304.394 1.817 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)CCO2)n[nH]1 ZINC000365495860 418867826 /nfs/dbraw/zinc/86/78/26/418867826.db2.gz FKNULCAMEWZQBZ-MBNYWOFBSA-N 0 1 322.409 1.328 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(c2nc3cc(F)ccc3o2)C1 ZINC000583616786 422201288 /nfs/dbraw/zinc/20/12/88/422201288.db2.gz CMMLKQTUNLZHLE-AWEZNQCLSA-N 0 1 303.297 1.573 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649016 422239352 /nfs/dbraw/zinc/23/93/52/422239352.db2.gz HKDCXGVKHXUOAZ-LSDHHAIUSA-N 0 1 304.390 1.971 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649016 422239357 /nfs/dbraw/zinc/23/93/57/422239357.db2.gz HKDCXGVKHXUOAZ-LSDHHAIUSA-N 0 1 304.390 1.971 10 0 DDAEMN CNC(=O)c1ccc2c(c1)n[nH]c2I ZINC000089195720 277018588 /nfs/dbraw/zinc/01/85/88/277018588.db2.gz QMAAAYNWKNBDLR-UHFFFAOYSA-N 0 1 301.087 1.527 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000180690319 280208802 /nfs/dbraw/zinc/20/88/02/280208802.db2.gz MZGKTQJETRDGIA-ZIAGYGMSSA-N 0 1 324.421 1.824 10 0 DDAEMN COCCN1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C[C@@H]1C ZINC000247560415 282060655 /nfs/dbraw/zinc/06/06/55/282060655.db2.gz RSRHWTIQJHWRDE-JSGCOSHPSA-N 0 1 323.441 1.011 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369084003 301129663 /nfs/dbraw/zinc/12/96/63/301129663.db2.gz KUEVCCWAFDQGFH-UWVGGRQHSA-N 0 1 314.336 1.702 10 0 DDAEMN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000374238745 307204645 /nfs/dbraw/zinc/20/46/45/307204645.db2.gz QJOVODLICTWKMY-RWMBFGLXSA-N 0 1 323.397 1.154 10 0 DDAEMN OCCN1CCC[C@H](NCc2ncc(Br)s2)C1 ZINC000679847418 486012798 /nfs/dbraw/zinc/01/27/98/486012798.db2.gz MPOXDIUZPNIXQG-VIFPVBQESA-N 0 1 320.256 1.452 10 0 DDAEMN NC(=O)c1cnccc1NCC[S@](=O)Cc1ccccc1 ZINC000302207807 534509041 /nfs/dbraw/zinc/50/90/41/534509041.db2.gz FGOABYAKUHBNBK-NRFANRHFSA-N 0 1 303.387 1.541 10 0 DDAEMN COCCN1CCN(Cn2ccc(C(F)(F)F)n2)C[C@H]1C ZINC000117323300 696670503 /nfs/dbraw/zinc/67/05/03/696670503.db2.gz DSBTXDBCLLCUTC-LLVKDONJSA-N 0 1 306.332 1.512 10 0 DDAEMN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000171551652 697359390 /nfs/dbraw/zinc/35/93/90/697359390.db2.gz MQCLOYCKVKBEQA-SCZZXKLOSA-N 0 1 311.386 1.991 10 0 DDAEMN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000171551652 697359392 /nfs/dbraw/zinc/35/93/92/697359392.db2.gz MQCLOYCKVKBEQA-SCZZXKLOSA-N 0 1 311.386 1.991 10 0 DDAEMN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000171551657 697359587 /nfs/dbraw/zinc/35/95/87/697359587.db2.gz MQCLOYCKVKBEQA-PSASIEDQSA-N 0 1 311.386 1.991 10 0 DDAEMN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000171551657 697359589 /nfs/dbraw/zinc/35/95/89/697359589.db2.gz MQCLOYCKVKBEQA-PSASIEDQSA-N 0 1 311.386 1.991 10 0 DDAEMN COC(=O)[C@@]1(C)CCCN1C(=O)c1nnc2ccccc2c1O ZINC000190743871 697595812 /nfs/dbraw/zinc/59/58/12/697595812.db2.gz XOUXSOXVDJHTFG-MRXNPFEDSA-N 0 1 315.329 1.091 10 0 DDAEMN C[C@@H](C(=O)N[C@H]1CN2CCC1CC2)n1ccc(C(F)(F)F)n1 ZINC000222543774 697757969 /nfs/dbraw/zinc/75/79/69/697757969.db2.gz ZRZLIRAOVQTXAQ-ONGXEEELSA-N 0 1 316.327 1.673 10 0 DDAEMN CCC[C@H]1CC(=O)N(CN2CCN(CCOC)[C@@H](CC)C2)C1 ZINC000247507664 698367281 /nfs/dbraw/zinc/36/72/81/698367281.db2.gz YHIKRQRQGDYTQE-HOTGVXAUSA-N 0 1 311.470 1.635 10 0 DDAEMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)/C=C\c1ccccc1 ZINC000255057215 698411344 /nfs/dbraw/zinc/41/13/44/698411344.db2.gz ZKJQJBRXOLGYED-ODDCISTRSA-N 0 1 323.462 1.213 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000262220321 698459871 /nfs/dbraw/zinc/45/98/71/698459871.db2.gz FQXLRNCNFUPSIR-GZMMTYOYSA-N 0 1 306.284 1.736 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000262365558 698466551 /nfs/dbraw/zinc/46/65/51/698466551.db2.gz WBDAEIJKCQHTTL-CYBMUJFWSA-N 0 1 314.332 1.308 10 0 DDAEMN CC[C@H]1CC[C@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000262726657 698479095 /nfs/dbraw/zinc/47/90/95/698479095.db2.gz STTUTQGLMKKNOS-PFSRBDOWSA-N 0 1 324.421 1.388 10 0 DDAEMN CC[C@@H]1CC[C@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000262726656 698479148 /nfs/dbraw/zinc/47/91/48/698479148.db2.gz STTUTQGLMKKNOS-NEXFUWMNSA-N 0 1 324.421 1.388 10 0 DDAEMN Cc1ccc(NCCCNC(=O)N(C)C[C@H](C)C(=O)[O-])[nH+]c1 ZINC000262943707 698485036 /nfs/dbraw/zinc/48/50/36/698485036.db2.gz HNUGBJTWVPOHRB-LBPRGKRZSA-N 0 1 308.382 1.554 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(C)n2)C1 ZINC000263071525 698489790 /nfs/dbraw/zinc/48/97/90/698489790.db2.gz QBDLZYUGVBBDGX-UHFFFAOYSA-N 0 1 306.366 1.449 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2C[C@@]2(C)C(C)C)C1 ZINC000263366736 698502331 /nfs/dbraw/zinc/50/23/31/698502331.db2.gz LQENHBGAHUAVCX-BRNNPLJLSA-N 0 1 311.426 1.658 10 0 DDAEMN CN(C)c1nccc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263538115 698511946 /nfs/dbraw/zinc/51/19/46/698511946.db2.gz ASPNCABIVOUXSA-UHFFFAOYSA-N 0 1 319.409 1.282 10 0 DDAEMN CCN1CC[C@@H](NC(=O)c2csc(Br)n2)C1 ZINC000709599043 699252597 /nfs/dbraw/zinc/25/25/97/699252597.db2.gz OGKIXPNOXQQOBX-SSDOTTSWSA-N 0 1 304.213 1.730 10 0 DDAEMN O=C(c1cc(Cl)nc(Cl)c1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720611317 699306682 /nfs/dbraw/zinc/30/66/82/699306682.db2.gz ADADBPLNWDTJQJ-SSDOTTSWSA-N 0 1 313.148 1.879 10 0 DDAEMN O=C(C1CN([C@H]2CCOC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000896849093 708163621 /nfs/dbraw/zinc/16/36/21/708163621.db2.gz AGGINRSCHJGTES-GJZGRUSLSA-N 0 1 304.394 1.184 10 0 DDAEMN CC[C@H](O)[C@@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(COC)n1 ZINC000908251611 712720365 /nfs/dbraw/zinc/72/03/65/712720365.db2.gz IHBVYROXKRPBHF-UTUOFQBUSA-N 0 1 310.398 1.412 10 0 DDAEMN COc1ccc(C)cc1[C@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000081902959 192337144 /nfs/dbraw/zinc/33/71/44/192337144.db2.gz PCZUPBHOKKNGKH-DGCLKSJQSA-N 0 1 301.408 1.060 10 0 DDAEMN CCCN[C@@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081944171 192345012 /nfs/dbraw/zinc/34/50/12/192345012.db2.gz WEIOLKSVAPJOQW-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN NC(=S)c1cccc(S(=O)(=O)Nc2ccc(F)cn2)c1 ZINC000088248633 185243430 /nfs/dbraw/zinc/24/34/30/185243430.db2.gz SUBRSLWEPDALAF-UHFFFAOYSA-N 0 1 311.363 1.656 10 0 DDAEMN COCCCS(=O)(=O)Nc1cnc(Br)cn1 ZINC000088448391 185251572 /nfs/dbraw/zinc/25/15/72/185251572.db2.gz LMZPVCAWNGKVKJ-UHFFFAOYSA-N 0 1 310.173 1.017 10 0 DDAEMN CCN[C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081978021 192349480 /nfs/dbraw/zinc/34/94/80/192349480.db2.gz PFNMAQRYAMYXNL-DZGCQCFKSA-N 0 1 311.403 1.240 10 0 DDAEMN CCC[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]nc2CO)CC1 ZINC000088902440 185270505 /nfs/dbraw/zinc/27/05/05/185270505.db2.gz YMORFZOYLFXDPT-LBPRGKRZSA-N 0 1 315.439 1.801 10 0 DDAEMN N[C@H](CS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000081988793 192351379 /nfs/dbraw/zinc/35/13/79/192351379.db2.gz HIUCGUQLPLIBKD-CYBMUJFWSA-N 0 1 311.403 1.815 10 0 DDAEMN Cc1cn2c(CN[C@H]3CCC(=O)N(C)C3=O)c(C)nc2s1 ZINC000090023868 185278594 /nfs/dbraw/zinc/27/85/94/185278594.db2.gz VKDAFSIJTIFEHL-JTQLQIEISA-N 0 1 306.391 1.250 10 0 DDAEMN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccsc1CN ZINC000092343994 185313285 /nfs/dbraw/zinc/31/32/85/185313285.db2.gz PDKFDXOAGIRSGD-QMMMGPOBSA-N 0 1 315.420 1.851 10 0 DDAEMN CC(C)[C@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000092392123 185315633 /nfs/dbraw/zinc/31/56/33/185315633.db2.gz BZMHKIGZBIBNIT-OLZOCXBDSA-N 0 1 301.383 1.651 10 0 DDAEMN CN(C(=O)N(CC(=O)[O-])CC(F)(F)F)[C@H]1CCC[N@@H+](C)C1 ZINC000092445993 185319041 /nfs/dbraw/zinc/31/90/41/185319041.db2.gz AMWCFBHFLVFOCU-VIFPVBQESA-N 0 1 311.304 1.081 10 0 DDAEMN COCCNCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000092495259 185322384 /nfs/dbraw/zinc/32/23/84/185322384.db2.gz HYROMHBXWUMSLR-UHFFFAOYSA-N 0 1 313.785 1.216 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)c1C ZINC000092621908 185329973 /nfs/dbraw/zinc/32/99/73/185329973.db2.gz KMAYFDIKLGNDIC-AWEZNQCLSA-N 0 1 311.451 1.600 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1ccc(Cl)cc1 ZINC000092781393 185340370 /nfs/dbraw/zinc/34/03/70/185340370.db2.gz OTZBFRJFWBSEAB-ZANVPECISA-N 0 1 304.781 1.955 10 0 DDAEMN CN(Cc1ccc2ccccc2n1)C[C@H](O)CN1CCOCC1 ZINC000083245504 192368212 /nfs/dbraw/zinc/36/82/12/192368212.db2.gz FLCSXUQGMNHPQQ-KRWDZBQOSA-N 0 1 315.417 1.360 10 0 DDAEMN O=C(OCc1ccccc1)N1CCc2c(=O)[nH][nH]c2[C@@H](F)C1 ZINC000725261877 539570134 /nfs/dbraw/zinc/57/01/34/539570134.db2.gz LRLHRTVXSOQLJC-RYUDHWBXSA-N 0 1 305.309 1.469 10 0 DDAEMN O=C(NCCc1nc[nH]n1)c1cc(Cl)c2ccccc2n1 ZINC000080605500 192171179 /nfs/dbraw/zinc/17/11/79/192171179.db2.gz ZSOOICZFPVWTIQ-UHFFFAOYSA-N 0 1 301.737 1.979 10 0 DDAEMN CN(C)CCNS(=O)(=O)c1ccc(-c2cccnc2)cc1 ZINC000071709487 191011258 /nfs/dbraw/zinc/01/12/58/191011258.db2.gz ZNUVVGQCBCOPPF-UHFFFAOYSA-N 0 1 305.403 1.589 10 0 DDAEMN COC(=O)[C@@H](CC(C)C)NC(=O)Cc1csc([C@@H](C)N)n1 ZINC000071695929 191008445 /nfs/dbraw/zinc/00/84/45/191008445.db2.gz ROVSJAFYKWBJAD-MWLCHTKSSA-N 0 1 313.423 1.409 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3c(C)ccn3C)CCO2)n[nH]1 ZINC000189945385 186253242 /nfs/dbraw/zinc/25/32/42/186253242.db2.gz CVNSGRZLSMLNAW-NSHDSACASA-N 0 1 303.366 1.228 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262909661 186323788 /nfs/dbraw/zinc/32/37/88/186323788.db2.gz JIPKZGDVJQRGSX-HNNXBMFYSA-N 0 1 320.389 1.106 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccccc3OC)CCO2)n[nH]1 ZINC000173575328 198229337 /nfs/dbraw/zinc/22/93/37/198229337.db2.gz YMTQWNFQHCRPSG-ZDUSSCGKSA-N 0 1 316.361 1.589 10 0 DDAEMN Cc1nnc(SCCC(=O)N[C@@H]2COc3ccccc32)[nH]1 ZINC000174379024 198327822 /nfs/dbraw/zinc/32/78/22/198327822.db2.gz PFSCIFNUHLQVRO-LLVKDONJSA-N 0 1 304.375 1.845 10 0 DDAEMN CCNC(=O)NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174389376 198328637 /nfs/dbraw/zinc/32/86/37/198328637.db2.gz FXYRQEIEOLYKDW-CABCVRRESA-N 0 1 319.405 1.420 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCCC2)n1 ZINC000080869249 192197388 /nfs/dbraw/zinc/19/73/88/192197388.db2.gz QMCYUQDXVZAVQH-SECBINFHSA-N 0 1 304.441 1.566 10 0 DDAEMN C[C@@H](CN1CCCC1)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081694115 192314731 /nfs/dbraw/zinc/31/47/31/192314731.db2.gz GFXHNZYVXSHZKH-VIFPVBQESA-N 0 1 318.830 1.080 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCCC2(C1)OCCO2 ZINC000179427453 199033378 /nfs/dbraw/zinc/03/33/78/199033378.db2.gz UUFXVEOGGVOLFN-MRXNPFEDSA-N 0 1 318.417 1.525 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000179506380 199048051 /nfs/dbraw/zinc/04/80/51/199048051.db2.gz CSQVJMSQKHSJSN-HUUCEWRRSA-N 0 1 314.433 1.964 10 0 DDAEMN CSC[C@H](O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187878245 200170366 /nfs/dbraw/zinc/17/03/66/200170366.db2.gz LLTVTDIRLKIJTB-CVEARBPZSA-N 0 1 310.463 1.062 10 0 DDAEMN C[C@@H]1OCCC[C@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000188056516 200186993 /nfs/dbraw/zinc/18/69/93/200186993.db2.gz QTJCQMBUKRFWMR-WMLDXEAASA-N 0 1 302.418 1.976 10 0 DDAEMN O=C([O-])[C@@]12CN(c3cnccn3)C[C@@H]1C[N@@H+](CC1CCC1)C2 ZINC000091585727 193075532 /nfs/dbraw/zinc/07/55/32/193075532.db2.gz BLAALZJPYLMVLS-BBRMVZONSA-N 0 1 302.378 1.100 10 0 DDAEMN Cc1cccc(N)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092001324 193139409 /nfs/dbraw/zinc/13/94/09/193139409.db2.gz ZBUGUBZAOGTFJD-OLZOCXBDSA-N 0 1 309.435 1.434 10 0 DDAEMN CCc1csc([C@@H]2CCCN(C(=O)C[C@H]3COCCN3)C2)n1 ZINC000262465014 203302318 /nfs/dbraw/zinc/30/23/18/203302318.db2.gz XSSAWJNRDYVWJI-OCCSQVGLSA-N 0 1 323.462 1.790 10 0 DDAEMN CCC(CC)N(CC(C)C)S(=O)(=O)c1n[nH]cc1CNC ZINC000093326644 193233250 /nfs/dbraw/zinc/23/32/50/193233250.db2.gz VETHWDCLZKQMKG-UHFFFAOYSA-N 0 1 316.471 1.964 10 0 DDAEMN CCOc1nc(Cl)nc(N2C[C@H]3CCCCN3C[C@@H]2C)n1 ZINC000094442809 193370424 /nfs/dbraw/zinc/37/04/24/193370424.db2.gz KNHKNJRGIZOWPL-WDEREUQCSA-N 0 1 311.817 1.987 10 0 DDAEMN NCc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)o1 ZINC000094568304 193380820 /nfs/dbraw/zinc/38/08/20/193380820.db2.gz PKEUTPYOFPQCRV-YPMHNXCESA-N 0 1 310.419 1.865 10 0 DDAEMN Cc1ccc(S(=O)(=O)NCCN2CCCCCC2)cc1N ZINC000040767214 183131679 /nfs/dbraw/zinc/13/16/79/183131679.db2.gz GBEGXWABZZKFRF-UHFFFAOYSA-N 0 1 311.451 1.732 10 0 DDAEMN C[N@@H+](CCCC(=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000042717934 183302361 /nfs/dbraw/zinc/30/23/61/183302361.db2.gz CNCPGFMTHUXFFT-UHFFFAOYSA-N 0 1 309.753 1.645 10 0 DDAEMN O=C(CSc1ccccc1Br)N1CCNCC1 ZINC000043403052 183358682 /nfs/dbraw/zinc/35/86/82/183358682.db2.gz FYYIKKLSVUUKGR-UHFFFAOYSA-N 0 1 315.236 1.973 10 0 DDAEMN C[C@H](Sc1ncnc2ccccc21)C(=O)N1CCNCC1 ZINC000043403166 183358846 /nfs/dbraw/zinc/35/88/46/183358846.db2.gz SKCGELUZNRJMQP-NSHDSACASA-N 0 1 302.403 1.542 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)NCCC2=CCCCC2)C[C@H]1C ZINC000105821357 194135727 /nfs/dbraw/zinc/13/57/27/194135727.db2.gz UOODEXFCROMQQY-HZPDHXFCSA-N 0 1 323.481 1.380 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000105836734 194143315 /nfs/dbraw/zinc/14/33/15/194143315.db2.gz YESMQCGPKUTSEJ-HOCLYGCPSA-N 0 1 313.486 1.722 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC(C)(C)C)C2)n1 ZINC000105884714 194156600 /nfs/dbraw/zinc/15/66/00/194156600.db2.gz RRMIQHLZKJHPCC-AWEZNQCLSA-N 0 1 307.442 1.522 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885185 194156970 /nfs/dbraw/zinc/15/69/70/194156970.db2.gz ZASMSWAVXAFDQL-CJNGLKHVSA-N 0 1 321.469 1.912 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000105883910 194157558 /nfs/dbraw/zinc/15/75/58/194157558.db2.gz RDLORTKGUPYTCR-GJZGRUSLSA-N 0 1 307.442 1.685 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000105902769 194167266 /nfs/dbraw/zinc/16/72/66/194167266.db2.gz PPLRLXKYEPALNW-SFHVURJKSA-N 0 1 322.449 1.218 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000109460973 194265577 /nfs/dbraw/zinc/26/55/77/194265577.db2.gz JAWUIKRQOYYPKG-CQSZACIVSA-N 0 1 305.447 1.818 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2ccoc2C)CC1 ZINC000109463237 194265843 /nfs/dbraw/zinc/26/58/43/194265843.db2.gz QXSLZBCKFRSGFO-CYBMUJFWSA-N 0 1 309.435 1.801 10 0 DDAEMN O=S(=O)(c1ccc(O)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000110432286 194329057 /nfs/dbraw/zinc/32/90/57/194329057.db2.gz NSPGVHZJFPDHFC-ZDUSSCGKSA-N 0 1 310.419 1.641 10 0 DDAEMN CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)C[C@H](C)C(=O)[O-] ZINC000061220767 184166338 /nfs/dbraw/zinc/16/63/38/184166338.db2.gz IAFYTGWCJYQZDM-QMMMGPOBSA-N 0 1 310.379 1.002 10 0 DDAEMN COC(=O)C[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000152047269 196764610 /nfs/dbraw/zinc/76/46/10/196764610.db2.gz OFVJWJCHHVRNCB-AWEZNQCLSA-N 0 1 301.346 1.681 10 0 DDAEMN CC[C@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@H+]1CCOC ZINC000120950077 195269444 /nfs/dbraw/zinc/26/94/44/195269444.db2.gz HUEWTZMFMQXAJD-AWEZNQCLSA-N 0 1 310.442 1.280 10 0 DDAEMN CC[C@H]1CN(Cc2c(C)nn(C)c2OC)CCN1CCOC ZINC000120950077 195269447 /nfs/dbraw/zinc/26/94/47/195269447.db2.gz HUEWTZMFMQXAJD-AWEZNQCLSA-N 0 1 310.442 1.280 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000122311733 195432575 /nfs/dbraw/zinc/43/25/75/195432575.db2.gz UKXJCNWMRYZJGO-IXDOHACOSA-N 0 1 304.434 1.827 10 0 DDAEMN COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000002040778 406680483 /nfs/dbraw/zinc/68/04/83/406680483.db2.gz QFWPJPIVLCBXFJ-UHFFFAOYSA-N 0 1 309.347 1.303 10 0 world DDAEMN COc1ccc([C@H](C)N[C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137274 406683664 /nfs/dbraw/zinc/68/36/64/406683664.db2.gz YVHZKFGOEZWPJQ-WCQYABFASA-N 0 1 313.419 1.932 10 0 DDAEMN O[C@@H](CN1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCN2 ZINC000013366716 406861343 /nfs/dbraw/zinc/86/13/43/406861343.db2.gz MJNCZKZSTFPHTM-SFHVURJKSA-N 0 1 324.428 1.905 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000123483481 407330285 /nfs/dbraw/zinc/33/02/85/407330285.db2.gz NNDHRDWRLVBELR-ZDUSSCGKSA-N 0 1 322.840 1.876 10 0 DDAEMN CCOCCN1CCN(CC(=O)NCC2CCC2)C[C@H]1CC ZINC000108867495 407391752 /nfs/dbraw/zinc/39/17/52/407391752.db2.gz FBGHYWSPGAOQSY-MRXNPFEDSA-N 0 1 311.470 1.335 10 0 DDAEMN COc1ccccc1CN(C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000111684366 407414441 /nfs/dbraw/zinc/41/44/41/407414441.db2.gz WHBYRUMGCBESPY-INIZCTEOSA-N 0 1 318.417 1.643 10 0 DDAEMN NC(=O)c1ccc(F)c(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000171526838 407697753 /nfs/dbraw/zinc/69/77/53/407697753.db2.gz IWRAAVOLYNJBIP-LBPRGKRZSA-N 0 1 320.368 1.627 10 0 DDAEMN Cc1csc(=O)n1CCN1CCC(Nc2cccnn2)CC1 ZINC000171552462 407701817 /nfs/dbraw/zinc/70/18/17/407701817.db2.gz WSLVOJFMZNBMIZ-UHFFFAOYSA-N 0 1 319.434 1.585 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000262232992 407773295 /nfs/dbraw/zinc/77/32/95/407773295.db2.gz GZNAFGVPLAARMQ-ZMLRMANQSA-N 0 1 302.296 1.651 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1CC ZINC000116769259 407774149 /nfs/dbraw/zinc/77/41/49/407774149.db2.gz UGPHOHZTNMYVLK-CQSZACIVSA-N 0 1 321.421 1.256 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccccc1OC ZINC000262303701 407790717 /nfs/dbraw/zinc/79/07/17/407790717.db2.gz OEUVICXTWOSCFY-DOTOQJQBSA-N 0 1 314.385 1.875 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000262315731 407798375 /nfs/dbraw/zinc/79/83/75/407798375.db2.gz PQSCZHAZSVZYOF-LBPRGKRZSA-N 0 1 301.350 1.261 10 0 DDAEMN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H](N)COC ZINC000262323994 407800259 /nfs/dbraw/zinc/80/02/59/407800259.db2.gz QSTUPUKDBPXMCS-CYBMUJFWSA-N 0 1 318.776 1.428 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000262383000 407819068 /nfs/dbraw/zinc/81/90/68/407819068.db2.gz YBJXWCQRIINWAI-GJZGRUSLSA-N 0 1 322.405 1.143 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000262399421 407826744 /nfs/dbraw/zinc/82/67/44/407826744.db2.gz ZMVZJUQMARYJJX-SNVBAGLBSA-N 0 1 306.284 1.517 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCn2cc(C)cn2)CCN1CCOC ZINC000117309479 407829842 /nfs/dbraw/zinc/82/98/42/407829842.db2.gz LUGQUUKHNWESQG-OAHLLOKOSA-N 0 1 308.426 1.151 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000262440077 407836643 /nfs/dbraw/zinc/83/66/43/407836643.db2.gz USXKXRDEXBUSTN-GXFFZTMASA-N 0 1 304.350 1.327 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)n[nH]1 ZINC000180115108 407856548 /nfs/dbraw/zinc/85/65/48/407856548.db2.gz VJSHQSKRCXBTLD-LBPRGKRZSA-N 0 1 304.398 1.707 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n[nH]1 ZINC000173875404 407901875 /nfs/dbraw/zinc/90/18/75/407901875.db2.gz ITNNGIDRRNLFEE-IUODEOHRSA-N 0 1 306.410 1.155 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000153532492 407845718 /nfs/dbraw/zinc/84/57/18/407845718.db2.gz AVULRKDPWRBFHD-APHBUQMISA-N 0 1 303.406 1.318 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000118859329 407959173 /nfs/dbraw/zinc/95/91/73/407959173.db2.gz VKQDMAZDFALIJD-INIZCTEOSA-N 0 1 311.470 1.071 10 0 DDAEMN CCCOC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000119218328 408014237 /nfs/dbraw/zinc/01/42/37/408014237.db2.gz WROJKLDXTSDXHW-AWEZNQCLSA-N 0 1 308.426 1.270 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H]2C(C)C)C1 ZINC000263480966 408151917 /nfs/dbraw/zinc/15/19/17/408151917.db2.gz NXTMGMQJWNNDGF-RUXDESIVSA-N 0 1 311.426 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCC2=Cc3ccccc3OC2)C1 ZINC000263535125 408167387 /nfs/dbraw/zinc/16/73/87/408167387.db2.gz YSZAQRSQNYQDEW-UHFFFAOYSA-N 0 1 316.401 1.990 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3scnc3CC)CCO2)n[nH]1 ZINC000151278398 408287878 /nfs/dbraw/zinc/28/78/78/408287878.db2.gz OOILLZNZNIUZBW-JTQLQIEISA-N 0 1 321.406 1.600 10 0 DDAEMN CC[C@H]1CN([C@@H](C(=O)OC)c2ccccc2)CCN1CCOC ZINC000246650279 408309491 /nfs/dbraw/zinc/30/94/91/408309491.db2.gz FTGSCBMSBGHRDL-DLBZAZTESA-N 0 1 320.433 1.943 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccccc2)CCN1C[C@H](C)O ZINC000246839686 408350668 /nfs/dbraw/zinc/35/06/68/408350668.db2.gz MIGFACZWTHEPGO-RDJZCZTQSA-N 0 1 304.434 1.923 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000136865632 162123453 /nfs/dbraw/zinc/12/34/53/162123453.db2.gz YSNQRCCXCNBWGW-ZIAGYGMSSA-N 0 1 319.453 1.707 10 0 DDAEMN COc1ccc(OCCNC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1 ZINC000170241026 162185589 /nfs/dbraw/zinc/18/55/89/162185589.db2.gz XOGDDKBLPJEKNN-LLVKDONJSA-N 0 1 316.361 1.113 10 0 DDAEMN COc1ccc(OCCNC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 ZINC000170241026 162185590 /nfs/dbraw/zinc/18/55/90/162185590.db2.gz XOGDDKBLPJEKNN-LLVKDONJSA-N 0 1 316.361 1.113 10 0 DDAEMN COc1ccc([C@@H](C)NCC(=O)NC2CCOCC2)cc1OC ZINC000170784538 162192524 /nfs/dbraw/zinc/19/25/24/162192524.db2.gz BUDVQNHLILMCIR-GFCCVEGCSA-N 0 1 322.405 1.650 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1CC ZINC000172085179 162256903 /nfs/dbraw/zinc/25/69/03/162256903.db2.gz LKCZGWBWCRMOBE-HNNXBMFYSA-N 0 1 322.453 1.528 10 0 DDAEMN COCc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173517640 162344541 /nfs/dbraw/zinc/34/45/41/162344541.db2.gz KXGVBMFZAHYHSV-CQSZACIVSA-N 0 1 316.361 1.473 10 0 DDAEMN COCc1cccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173542140 162347415 /nfs/dbraw/zinc/34/74/15/162347415.db2.gz HOSWPGWMYUTRFP-CQSZACIVSA-N 0 1 316.361 1.473 10 0 DDAEMN COc1cccc(NC(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247200104 408427239 /nfs/dbraw/zinc/42/72/39/408427239.db2.gz OWKZDRQNEGWHEP-KGLIPLIRSA-N 0 1 321.421 1.021 10 0 DDAEMN COCCN1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@@H]1C ZINC000247194203 408428046 /nfs/dbraw/zinc/42/80/46/408428046.db2.gz OLWBWLCRANDLDZ-LBPRGKRZSA-N 0 1 310.394 1.527 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1)C1CC1 ZINC000247402813 408465623 /nfs/dbraw/zinc/46/56/23/408465623.db2.gz YRVBXYZAKRZSIJ-SOUVJXGZSA-N 0 1 323.481 1.163 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)N3CCc4ccccc43)CCO2)n[nH]1 ZINC000176948106 162569734 /nfs/dbraw/zinc/56/97/34/162569734.db2.gz KKVJKVUCDYSIKI-CQSZACIVSA-N 0 1 313.361 1.669 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2cccnc2)CCN1C[C@H](C)O ZINC000248433708 408565251 /nfs/dbraw/zinc/56/52/51/408565251.db2.gz DHZSOJLGZSPPHX-GOEBONIOSA-N 0 1 320.437 1.111 10 0 DDAEMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C12CCOCC2 ZINC000248581049 408592944 /nfs/dbraw/zinc/59/29/44/408592944.db2.gz SEZREAZJWWXWDT-HRCADAONSA-N 0 1 324.465 1.951 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C3(CCOC)CC3)CCO2)n[nH]1 ZINC000162120533 408671872 /nfs/dbraw/zinc/67/18/72/408671872.db2.gz YZCRCVWEACZWLZ-LLVKDONJSA-N 0 1 308.382 1.084 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248832314 408643296 /nfs/dbraw/zinc/64/32/96/408643296.db2.gz ISFVIOYCHUKKIH-HZSPNIEDSA-N 0 1 300.443 1.494 10 0 DDAEMN O=C1OCC[C@@H]1CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177664538 408679310 /nfs/dbraw/zinc/67/93/10/408679310.db2.gz ZBEKURCHFGQDJN-DLBZAZTESA-N 0 1 318.417 1.291 10 0 DDAEMN CCC[C@@H](C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)N(C)C ZINC000162284217 408685659 /nfs/dbraw/zinc/68/56/59/408685659.db2.gz NRAUDHWZBQNXKL-HOTGVXAUSA-N 0 1 317.433 1.947 10 0 DDAEMN Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327707 408805400 /nfs/dbraw/zinc/80/54/00/408805400.db2.gz VEWGLZXFQRUJOJ-HNNXBMFYSA-N 0 1 316.405 1.908 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OC)c2)C1 ZINC000194148502 408767868 /nfs/dbraw/zinc/76/78/68/408767868.db2.gz OLBLNGINCJSODD-CYBMUJFWSA-N 0 1 305.378 1.234 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000249862229 408770395 /nfs/dbraw/zinc/77/03/95/408770395.db2.gz GNNGKZPBAUERDW-OFQRWUPVSA-N 0 1 321.469 1.680 10 0 DDAEMN NCc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccn1 ZINC000261621231 163672975 /nfs/dbraw/zinc/67/29/75/163672975.db2.gz AVQJYXHIIFBLPD-UHFFFAOYSA-N 0 1 313.361 1.024 10 0 DDAEMN Cc1nn(C)c(CNC[C@@H](O)C(C)(C)C)c1Br ZINC000279194283 409168158 /nfs/dbraw/zinc/16/81/58/409168158.db2.gz UHBZLBFDZYYZKK-SNVBAGLBSA-N 0 1 304.232 1.988 10 0 DDAEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)n(C)n1 ZINC000132436456 196256437 /nfs/dbraw/zinc/25/64/37/196256437.db2.gz YDJSKYLFEXEBAB-ZDUSSCGKSA-N 0 1 321.425 1.446 10 0 DDAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCO[C@H](c2nccs2)C1 ZINC000134321065 196379573 /nfs/dbraw/zinc/37/95/73/196379573.db2.gz KRUQFDQPYKRDFL-MFKMUULPSA-N 0 1 318.402 1.886 10 0 DDAEMN CCc1nc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)sc1C ZINC000192738911 222134664 /nfs/dbraw/zinc/13/46/64/222134664.db2.gz CNMXCFDDWAVYIV-LLVKDONJSA-N 0 1 324.450 1.553 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182678096 263376746 /nfs/dbraw/zinc/37/67/46/263376746.db2.gz CLSQXBSEFYWKFP-OAHLLOKOSA-N 0 1 313.405 1.990 10 0 DDAEMN C[C@H]1NCCN(S(=O)(=O)c2ccc(F)c(F)c2F)[C@@H]1C ZINC000262761347 278512939 /nfs/dbraw/zinc/51/29/39/278512939.db2.gz JMFGDGQHTWMTFR-HTQZYQBOSA-N 0 1 308.325 1.475 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc3c(s2)CCC3)C1 ZINC000262692089 279059286 /nfs/dbraw/zinc/05/92/86/279059286.db2.gz FCHVOBCTXPUXDS-UHFFFAOYSA-N 0 1 322.430 1.904 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(SC)CC2)CCN1C[C@@H](C)O ZINC000195156216 280354445 /nfs/dbraw/zinc/35/44/45/280354445.db2.gz GVSAPUJCLRNABH-CHWSQXEVSA-N 0 1 315.483 1.369 10 0 DDAEMN Cn1cnnc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129983433 281363950 /nfs/dbraw/zinc/36/39/50/281363950.db2.gz RQJPMQBMPIYFKR-GFCCVEGCSA-N 0 1 309.414 1.552 10 0 DDAEMN C[C@@H]1C[C@H](C)[C@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000263464076 297383189 /nfs/dbraw/zinc/38/31/89/297383189.db2.gz WGLJEQKFCXQCHC-IPYXZYMWSA-N 0 1 324.421 1.244 10 0 DDAEMN CCc1noc([C@]2(O)CCN(Cc3cccc4nccn43)C2)n1 ZINC000377834327 302240550 /nfs/dbraw/zinc/24/05/50/302240550.db2.gz KQHHRABMEBGKRI-INIZCTEOSA-N 0 1 313.361 1.373 10 0 DDAEMN O=S1(=O)CC[C@H](CCN2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000677692962 486525385 /nfs/dbraw/zinc/52/53/85/486525385.db2.gz LRYLZSNIAOXNTQ-ZNMIVQPWSA-N 0 1 301.452 1.438 10 0 DDAEMN O=C1CN(c2ncnc3[nH]cnc32)CCN1CC1CCCC1 ZINC000158420007 527008811 /nfs/dbraw/zinc/00/88/11/527008811.db2.gz BGALDLGREWBTSQ-UHFFFAOYSA-N 0 1 300.366 1.192 10 0 DDAEMN COCCN1CCN(Cn2c3ccccc3oc2=O)C[C@@H]1C ZINC000117323392 696670309 /nfs/dbraw/zinc/67/03/09/696670309.db2.gz PBUCFANPUDNCQE-ZDUSSCGKSA-N 0 1 305.378 1.205 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000120479005 696696368 /nfs/dbraw/zinc/69/63/68/696696368.db2.gz WFJHQFCLGSCREM-HNNXBMFYSA-N 0 1 320.437 1.108 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)c3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000173671777 697380589 /nfs/dbraw/zinc/38/05/89/697380589.db2.gz LKHKKTAUYNEPQN-UONOGXRCSA-N 0 1 324.331 1.498 10 0 DDAEMN CCCN1CCN(c2nc(C)nc3c2NC(=O)[C@H](C)N3)CC1 ZINC000224024133 697763905 /nfs/dbraw/zinc/76/39/05/697763905.db2.gz METXBYIEOZSYPF-JTQLQIEISA-N 0 1 304.398 1.070 10 0 DDAEMN CCCCOC(=O)[C@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247012101 698359355 /nfs/dbraw/zinc/35/93/55/698359355.db2.gz UFWITMVHXIZAKJ-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@H](O)c2ccccc2F)C[C@H]1C ZINC000247112702 698361705 /nfs/dbraw/zinc/36/17/05/698361705.db2.gz IZZUEOOWYCOFGH-PBHICJAKSA-N 0 1 310.413 1.902 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)c2ccccc2F)C[C@H]1C ZINC000247112702 698361708 /nfs/dbraw/zinc/36/17/08/698361708.db2.gz IZZUEOOWYCOFGH-PBHICJAKSA-N 0 1 310.413 1.902 10 0 DDAEMN CSCCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262711860 698478562 /nfs/dbraw/zinc/47/85/62/698478562.db2.gz LVQNHIAQOFAFFT-UHFFFAOYSA-N 0 1 300.424 1.183 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000263010358 698487789 /nfs/dbraw/zinc/48/77/89/698487789.db2.gz YOJMSOAKSMRLFQ-CQSZACIVSA-N 0 1 320.389 1.463 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](SC)C2)C1 ZINC000263494989 698509846 /nfs/dbraw/zinc/50/98/46/698509846.db2.gz SMLGZPMSAJTXNE-HTAVTVPLSA-N 0 1 315.439 1.071 10 0 DDAEMN O=C(c1ccnc(Br)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720617375 699306714 /nfs/dbraw/zinc/30/67/14/699306714.db2.gz JPSCNLQAXICVBW-QMMMGPOBSA-N 0 1 323.154 1.335 10 0 DDAEMN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2n[nH]c(CO)n2)cc1 ZINC000912941613 713129860 /nfs/dbraw/zinc/12/98/60/713129860.db2.gz PGQUOBRLRAVGFX-KGLIPLIRSA-N 0 1 314.389 1.840 10 0 DDAEMN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2nnc(CO)[nH]2)cc1 ZINC000912941613 713129862 /nfs/dbraw/zinc/12/98/62/713129862.db2.gz PGQUOBRLRAVGFX-KGLIPLIRSA-N 0 1 314.389 1.840 10 0 DDAEMN CCc1csc([C@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)n1 ZINC000910732892 710058860 /nfs/dbraw/zinc/05/88/60/710058860.db2.gz FXINDXZFHMXIKM-DTWKUNHWSA-N 0 1 305.407 1.806 10 0 DDAEMN CCc1csc([C@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)n1 ZINC000910732892 710058865 /nfs/dbraw/zinc/05/88/65/710058865.db2.gz FXINDXZFHMXIKM-DTWKUNHWSA-N 0 1 305.407 1.806 10 0 DDAEMN COC(=O)/C=C(/C)CN1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000929729749 713678302 /nfs/dbraw/zinc/67/83/02/713678302.db2.gz JDTJXEPQCXXUSP-KGTBHZDVSA-N 0 1 322.409 1.595 10 0 DDAEMN COC(=O)/C=C(/C)CN1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000929729749 713678304 /nfs/dbraw/zinc/67/83/04/713678304.db2.gz JDTJXEPQCXXUSP-KGTBHZDVSA-N 0 1 322.409 1.595 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CN3CCCC3=O)C[C@@H]12 ZINC000248579724 282091923 /nfs/dbraw/zinc/09/19/23/282091923.db2.gz FCVIFJKFJTUECQ-MGPQQGTHSA-N 0 1 323.437 1.801 10 0 DDAEMN Fc1ccc(CN2CCN(CCn3ccnc3)CC2)cc1F ZINC000077120248 185110780 /nfs/dbraw/zinc/11/07/80/185110780.db2.gz RTQYOGKZPSBCJJ-UHFFFAOYSA-N 0 1 306.360 1.979 10 0 DDAEMN O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000088056812 185238248 /nfs/dbraw/zinc/23/82/48/185238248.db2.gz PJTLPMVMNIJHOF-QMMMGPOBSA-N 0 1 312.288 1.948 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCC(=O)OC)c1cc(C)ccc1C ZINC000081975262 192347923 /nfs/dbraw/zinc/34/79/23/192347923.db2.gz CMSKGTIJVNTHPK-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1n[nH]c2ccccc21 ZINC000088199753 185241759 /nfs/dbraw/zinc/24/17/59/185241759.db2.gz DMWDXHDVJXTWOI-GFCCVEGCSA-N 0 1 310.361 1.982 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCC(=O)OC)c1ccccc1C ZINC000081974927 192348290 /nfs/dbraw/zinc/34/82/90/192348290.db2.gz QNGSFMIXOXQAOT-AWEZNQCLSA-N 0 1 313.419 1.624 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)o1 ZINC000088551245 185257615 /nfs/dbraw/zinc/25/76/15/185257615.db2.gz NVFWBBHXSBCRBJ-GFCCVEGCSA-N 0 1 308.359 1.411 10 0 DDAEMN CN1C(=O)C[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1=O ZINC000088774777 185265366 /nfs/dbraw/zinc/26/53/66/185265366.db2.gz MMYJHQWXNRBEBZ-SNVBAGLBSA-N 0 1 302.252 1.432 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000088891439 185269663 /nfs/dbraw/zinc/26/96/63/185269663.db2.gz FKWLYKIEDVMLJH-CABZTGNLSA-N 0 1 301.412 1.410 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCC[C@H]1C1CCCC1 ZINC000088894670 185270011 /nfs/dbraw/zinc/27/00/11/185270011.db2.gz ODRQKMJKWUCGKC-ZDUSSCGKSA-N 0 1 313.423 1.554 10 0 DDAEMN CC[C@@H](NS(=O)(=O)c1c(C)[nH]nc1CO)c1nccs1 ZINC000088902578 185270480 /nfs/dbraw/zinc/27/04/80/185270480.db2.gz KVCFWLSWSKCCFS-MRVPVSSYSA-N 0 1 316.408 1.097 10 0 DDAEMN C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090426072 185295686 /nfs/dbraw/zinc/29/56/86/185295686.db2.gz WOCYXDVWWRFTRZ-NWDGAFQWSA-N 0 1 301.289 1.819 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc(C(N)=S)cc2)ccn1 ZINC000092350157 185313515 /nfs/dbraw/zinc/31/35/15/185313515.db2.gz JQVQEPNWRATOTN-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN CN(c1ccncc1C(N)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000302046931 530037737 /nfs/dbraw/zinc/03/77/37/530037737.db2.gz VCHMIPHYGPNAJM-GFCCVEGCSA-N 0 1 312.377 1.076 10 0 DDAEMN CCSc1nc2nccc(-c3c(O)cc(C)oc3=O)n2n1 ZINC000072439829 191167293 /nfs/dbraw/zinc/16/72/93/191167293.db2.gz UMXNJZKWHMUHBN-UHFFFAOYSA-N 0 1 304.331 1.871 10 0 DDAEMN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nn[nH]n1 ZINC000044927507 352397897 /nfs/dbraw/zinc/39/78/97/352397897.db2.gz VMBCDJKSJBXBDI-ZCFIWIBFSA-N 0 1 316.148 1.590 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000174091704 198290078 /nfs/dbraw/zinc/29/00/78/198290078.db2.gz CYLXSGOOXSRGAX-MRXNPFEDSA-N 0 1 324.396 1.581 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000174093193 198290692 /nfs/dbraw/zinc/29/06/92/198290692.db2.gz IUTZOZHVBGBXAR-HNNXBMFYSA-N 0 1 316.405 1.625 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000076855156 353441509 /nfs/dbraw/zinc/44/15/09/353441509.db2.gz OXVCQGABAYPQFE-NSHDSACASA-N 0 1 301.350 1.545 10 0 DDAEMN CC(C)Cn1ccnc(NC[C@H]2CN(CC(C)C)CCO2)c1=O ZINC000094132325 353910247 /nfs/dbraw/zinc/91/02/47/353910247.db2.gz JHZNKQNWWDNNFI-HNNXBMFYSA-N 0 1 322.453 1.668 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccn1 ZINC000074932190 191389523 /nfs/dbraw/zinc/38/95/23/191389523.db2.gz JCYRGPLOFZACEH-UHFFFAOYSA-N 0 1 305.315 1.625 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N(C)C(C)C)n1 ZINC000080869343 192197374 /nfs/dbraw/zinc/19/73/74/192197374.db2.gz WGBQZBQEMOZVGM-SECBINFHSA-N 0 1 306.457 1.811 10 0 DDAEMN CNCc1cn(-c2cccc(I)c2)nn1 ZINC000081425907 192262825 /nfs/dbraw/zinc/26/28/25/192262825.db2.gz WWTUDIDJVBVESK-UHFFFAOYSA-N 0 1 314.130 1.591 10 0 DDAEMN CN(Cc1cccc(Cl)c1)C(=O)C[NH+]1CC(CC(=O)[O-])C1 ZINC000081743894 192319167 /nfs/dbraw/zinc/31/91/67/192319167.db2.gz XAKQSKYQZJVKGA-UHFFFAOYSA-N 0 1 310.781 1.705 10 0 DDAEMN COc1cc(NC(=O)[C@@]2(N)CCOC2)c(OC)cc1Cl ZINC000085867432 192536554 /nfs/dbraw/zinc/53/65/54/192536554.db2.gz JHHNNJLPMOGGPS-CYBMUJFWSA-N 0 1 300.742 1.414 10 0 DDAEMN Cn1cc(O[C@@H]2CN(c3ccnc4ccccc43)C[C@H]2O)cn1 ZINC000624423169 366375858 /nfs/dbraw/zinc/37/58/58/366375858.db2.gz ZIMRFZWEVVFBPF-IAGOWNOFSA-N 0 1 310.357 1.597 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cn(C(C)(C)C)nn3)CCO2)n[nH]1 ZINC000191155217 200636122 /nfs/dbraw/zinc/63/61/22/200636122.db2.gz AHSDHYJJSNHEBT-GFCCVEGCSA-N 0 1 319.413 1.287 10 0 DDAEMN C[C@@H](N)c1csc(N2CCSC[C@@H]2S(C)(=O)=O)n1 ZINC000090924422 192948368 /nfs/dbraw/zinc/94/83/68/192948368.db2.gz HKAPXPAGWISBDF-APPZFPTMSA-N 0 1 307.466 1.087 10 0 DDAEMN CCC[C@H](C)NC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091478534 193061995 /nfs/dbraw/zinc/06/19/95/193061995.db2.gz UDQZMUZOKYUCCG-NSHDSACASA-N 0 1 317.524 1.775 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091488298 193062850 /nfs/dbraw/zinc/06/28/50/193062850.db2.gz WCXNKFYXHSHLHN-QWRGUYRKSA-N 0 1 317.524 1.773 10 0 DDAEMN O=C1N(Cc2ccccc2Br)C[C@@H]2CNCCN12 ZINC000091751266 193102285 /nfs/dbraw/zinc/10/22/85/193102285.db2.gz NCRDZAHSWDHNPW-NSHDSACASA-N 0 1 310.195 1.659 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091989376 193138838 /nfs/dbraw/zinc/13/88/38/193138838.db2.gz FKBZRRQURAOMNX-CHWSQXEVSA-N 0 1 312.483 1.521 10 0 DDAEMN CC[N@@H+]1CCO[C@@H](CN(CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000092059582 193149703 /nfs/dbraw/zinc/14/97/03/193149703.db2.gz AMRBAINAOOAFCO-CQSZACIVSA-N 0 1 312.797 1.952 10 0 DDAEMN CC[N@H+]1CCO[C@@H](CN(CC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000092059582 193149704 /nfs/dbraw/zinc/14/97/04/193149704.db2.gz AMRBAINAOOAFCO-CQSZACIVSA-N 0 1 312.797 1.952 10 0 DDAEMN O=C(N[C@@H]1COc2ccccc2C1)N1CCN2CCCC[C@@H]2C1 ZINC000171637602 284133447 /nfs/dbraw/zinc/13/34/47/284133447.db2.gz ZMZHAFMNDKKUFF-JKSUJKDBSA-N 0 1 315.417 1.870 10 0 DDAEMN CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000262643558 203363782 /nfs/dbraw/zinc/36/37/82/203363782.db2.gz IJXQHZLMWWQKQY-SNVBAGLBSA-N 0 1 315.395 1.133 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093615700 193275791 /nfs/dbraw/zinc/27/57/91/193275791.db2.gz KXMXWIFITNDSBK-CABZTGNLSA-N 0 1 305.300 1.963 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000093649023 193284948 /nfs/dbraw/zinc/28/49/48/193284948.db2.gz ZQLHYAGCBNFDFF-CQSZACIVSA-N 0 1 311.451 1.600 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093852824 193318275 /nfs/dbraw/zinc/31/82/75/193318275.db2.gz MFYFAONODZVSRX-QMTHXVAHSA-N 0 1 306.391 1.635 10 0 DDAEMN CNCc1nc(C)ccc1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634573 193386105 /nfs/dbraw/zinc/38/61/05/193386105.db2.gz DASYZGAZMGRYAE-QWHCGFSZSA-N 0 1 312.435 1.844 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)N(C)C)cc1N ZINC000094638320 193388347 /nfs/dbraw/zinc/38/83/47/193388347.db2.gz UYTCDXMSXNPLGN-SECBINFHSA-N 0 1 305.831 1.459 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cccnc2C)CC1 ZINC000094646616 193389592 /nfs/dbraw/zinc/38/95/92/193389592.db2.gz WDGYAXQBIWJSOY-CYBMUJFWSA-N 0 1 306.435 1.213 10 0 DDAEMN CC(C)CNCc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644072 193389830 /nfs/dbraw/zinc/38/98/30/193389830.db2.gz XVBGCZIXMICRNH-QWHCGFSZSA-N 0 1 314.455 1.552 10 0 DDAEMN CCc1nc([C@@H]2CN3CCN2CC3)[nH]c(=O)c1Br ZINC000094506684 193374606 /nfs/dbraw/zinc/37/46/06/193374606.db2.gz ZOYVDWJECZGTBQ-VIFPVBQESA-N 0 1 313.199 1.179 10 0 DDAEMN COc1ccc(CC(=O)Nc2nc3c(s2)CNCC3)cc1 ZINC000019681394 182136097 /nfs/dbraw/zinc/13/60/97/182136097.db2.gz PUJJRCMIFRDHFF-UHFFFAOYSA-N 0 1 303.387 1.979 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000121052955 248265170 /nfs/dbraw/zinc/26/51/70/248265170.db2.gz PKLFSFOEUSGFQR-IUODEOHRSA-N 0 1 324.450 1.749 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)NCc1cccc(Br)c1 ZINC000042418964 183267570 /nfs/dbraw/zinc/26/75/70/183267570.db2.gz PDPMDGHCCVGWCT-QMMMGPOBSA-N 0 1 314.183 1.383 10 0 DDAEMN CCN(CC(=O)Nc1ccccc1OC)C[C@H](C)C(N)=S ZINC000042444637 183270930 /nfs/dbraw/zinc/27/09/30/183270930.db2.gz SQHDNDIEVYYSKP-NSHDSACASA-N 0 1 309.435 1.878 10 0 DDAEMN CCNC1(c2nc3c(s2)CCC3)CCS(=O)(=O)CC1 ZINC000042333238 183255446 /nfs/dbraw/zinc/25/54/46/183255446.db2.gz LRTKVHUYAMIENB-UHFFFAOYSA-N 0 1 300.449 1.645 10 0 DDAEMN NC(=O)c1ccsc1NC(=O)[C@H]1NCCc2ccccc21 ZINC000043595799 183374415 /nfs/dbraw/zinc/37/44/15/183374415.db2.gz WFVQQQJXDRNFLG-LBPRGKRZSA-N 0 1 301.371 1.673 10 0 DDAEMN CO[C@@H]1C[C@@H](CO)N(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000284462267 218038071 /nfs/dbraw/zinc/03/80/71/218038071.db2.gz CVKIXALYZJNHRX-DLBZAZTESA-N 0 1 301.390 1.513 10 0 DDAEMN CC[C@@H](C)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105818267 194136665 /nfs/dbraw/zinc/13/66/65/194136665.db2.gz SBNVKXLNKZRPPL-HZPDHXFCSA-N 0 1 311.470 1.286 10 0 DDAEMN CC[C@H]1CN(Cc2nc(CC(C)C)no2)CCN1C[C@@H](C)O ZINC000105826698 194137259 /nfs/dbraw/zinc/13/72/59/194137259.db2.gz IMQZCFFTNBIGPM-KGLIPLIRSA-N 0 1 310.442 1.545 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C)c2ccccc2)CCN1C[C@@H](C)O ZINC000105825384 194138111 /nfs/dbraw/zinc/13/81/11/194138111.db2.gz HXLAMDSJZWAXPY-HZPDHXFCSA-N 0 1 319.449 1.426 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2nc3ccccc3n2C)C[C@H]1C ZINC000105824690 194138346 /nfs/dbraw/zinc/13/83/46/194138346.db2.gz SCRXEFRHIXTJFL-ZIAGYGMSSA-N 0 1 302.422 1.460 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2nc3ccccc3n2C)C[C@@H]1C ZINC000105824694 194139016 /nfs/dbraw/zinc/13/90/16/194139016.db2.gz SCRXEFRHIXTJFL-UONOGXRCSA-N 0 1 302.422 1.460 10 0 DDAEMN FC(F)(F)COCCN1CCCN(c2cccnn2)CC1 ZINC000105800151 194131813 /nfs/dbraw/zinc/13/18/13/194131813.db2.gz UZAJKBSEHWLNKH-UHFFFAOYSA-N 0 1 304.316 1.568 10 0 DDAEMN Cc1ccccc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105882978 194156332 /nfs/dbraw/zinc/15/63/32/194156332.db2.gz PXAJZASCARWWAZ-OAHLLOKOSA-N 0 1 313.405 1.937 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000109471401 194267079 /nfs/dbraw/zinc/26/70/79/194267079.db2.gz RIOWHUYHZBEVEQ-VIFPVBQESA-N 0 1 318.368 1.897 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000109466461 194267374 /nfs/dbraw/zinc/26/73/74/194267374.db2.gz UALGCVJEUNTUFV-SNVBAGLBSA-N 0 1 310.398 1.650 10 0 DDAEMN CN(CC1CCOCC1)S(=O)(=O)c1ccc(CN)s1 ZINC000111179782 194399175 /nfs/dbraw/zinc/39/91/75/194399175.db2.gz GSLJIYQYKFOMNR-UHFFFAOYSA-N 0 1 304.437 1.254 10 0 DDAEMN C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062037595 184202724 /nfs/dbraw/zinc/20/27/24/184202724.db2.gz HEOGKYFQFWQIDX-UWVGGRQHSA-N 0 1 304.362 1.631 10 0 DDAEMN COCCNCc1c(Cl)cccc1N1CCC[C@H]1C(N)=O ZINC000062735001 184251066 /nfs/dbraw/zinc/25/10/66/184251066.db2.gz NVGFIANFHYFCME-AWEZNQCLSA-N 0 1 311.813 1.530 10 0 DDAEMN O=C1CCCN1c1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000062961223 184262276 /nfs/dbraw/zinc/26/22/76/184262276.db2.gz SJALUOPZTRYUIP-CYBMUJFWSA-N 0 1 308.403 1.090 10 0 DDAEMN Cc1ccc(S(=O)(=O)NOCCN2CCCC2)cc1Cl ZINC000062578401 184244430 /nfs/dbraw/zinc/24/44/30/184244430.db2.gz WXVIZANGPKTLKT-UHFFFAOYSA-N 0 1 318.826 1.954 10 0 DDAEMN COc1cc([C@H](C)NC(=O)[C@H]2CCCN2C)cc(OC)c1OC ZINC000299517180 533127674 /nfs/dbraw/zinc/12/76/74/533127674.db2.gz PIEKPNLAXKIOCE-WCQYABFASA-N 0 1 322.405 1.984 10 0 DDAEMN COc1cccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1F ZINC000120516267 195181699 /nfs/dbraw/zinc/18/16/99/195181699.db2.gz MUTSDUHHQNUXKY-GFCCVEGCSA-N 0 1 320.324 1.475 10 0 DDAEMN CCN1[C@@H]2CCN(C)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC000248104857 257109295 /nfs/dbraw/zinc/10/92/95/257109295.db2.gz FRFREFZVDVREFS-CHWSQXEVSA-N 0 1 310.419 1.552 10 0 DDAEMN CN(C)CC(=O)N1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000247985241 257113248 /nfs/dbraw/zinc/11/32/48/257113248.db2.gz KJCZYSURIOBNCG-WMLDXEAASA-N 0 1 319.405 1.172 10 0 DDAEMN COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 ZINC000247816135 257116779 /nfs/dbraw/zinc/11/67/79/257116779.db2.gz BGLZBPSUZBFQDA-MCIONIFRSA-N 0 1 310.419 1.243 10 0 DDAEMN O=C([C@@H]1COC[C@@H]2CN(Cc3nccs3)C[C@@H]21)N1CCCC1 ZINC000247801037 257117452 /nfs/dbraw/zinc/11/74/52/257117452.db2.gz VOEICDFDARUGTA-MELADBBJSA-N 0 1 321.446 1.460 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccncc2)C1)N1CCCO1 ZINC000247759210 257118236 /nfs/dbraw/zinc/11/82/36/257118236.db2.gz GJUXMPFFTYODQQ-PMPSAXMXSA-N 0 1 317.389 1.225 10 0 DDAEMN COc1cccc(CC(=O)N2CCC(c3cnc[nH]3)CC2)n1 ZINC000328783243 533443293 /nfs/dbraw/zinc/44/32/93/533443293.db2.gz VGVFCBAWQGOAMU-UHFFFAOYSA-N 0 1 300.362 1.762 10 0 DDAEMN COC1CCN(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)CC1 ZINC000328750069 292162506 /nfs/dbraw/zinc/16/25/06/292162506.db2.gz RBJBFUQGWKEGKM-ZDUSSCGKSA-N 0 1 307.398 1.871 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478569 286277137 /nfs/dbraw/zinc/27/71/37/286277137.db2.gz FTKAISMCQSYDKQ-NEXFUWMNSA-N 0 1 310.438 1.861 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478569 286277139 /nfs/dbraw/zinc/27/71/39/286277139.db2.gz FTKAISMCQSYDKQ-NEXFUWMNSA-N 0 1 310.438 1.861 10 0 DDAEMN CCOc1cc2c(=O)ccn(Cc3nn[nH]n3)c2cc1OCC ZINC000053994698 407176666 /nfs/dbraw/zinc/17/66/66/407176666.db2.gz DGVGSXSICAZQHX-UHFFFAOYSA-N 0 1 315.333 1.360 10 0 DDAEMN CC[C@](C)(O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000123393025 407327717 /nfs/dbraw/zinc/32/77/17/407327717.db2.gz ZENUKMIBMSJNTG-KRWDZBQOSA-N 0 1 324.396 1.510 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)NCCc1ccccc1)N(C)C ZINC000125882673 407400529 /nfs/dbraw/zinc/40/05/29/407400529.db2.gz NCTFOUCDUNXDAI-OAHLLOKOSA-N 0 1 305.422 1.192 10 0 DDAEMN CC(=O)c1cccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000112548926 407431942 /nfs/dbraw/zinc/43/19/42/407431942.db2.gz ARURDEZGADYHJR-WBMJQRKESA-N 0 1 319.405 1.136 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)n[nH]1 ZINC000129131380 407589836 /nfs/dbraw/zinc/58/98/36/407589836.db2.gz HTXPBJFLAIVZEY-GFCCVEGCSA-N 0 1 318.425 1.961 10 0 DDAEMN CCN(CC(=O)N1CCC(Nc2cccnn2)CC1)C1CC1 ZINC000152266343 407596963 /nfs/dbraw/zinc/59/69/63/407596963.db2.gz PFPCABOSULDXGN-UHFFFAOYSA-N 0 1 303.410 1.364 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)cc1 ZINC000152470965 407640910 /nfs/dbraw/zinc/64/09/10/407640910.db2.gz MWLPFWIVPVPVHO-ZWNOBZJWSA-N 0 1 316.361 1.664 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)[C@H]3CC[C@@H](C)O3)n[nH]2)cc1 ZINC000152470965 407640920 /nfs/dbraw/zinc/64/09/20/407640920.db2.gz MWLPFWIVPVPVHO-ZWNOBZJWSA-N 0 1 316.361 1.664 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000262062249 407729398 /nfs/dbraw/zinc/72/93/98/407729398.db2.gz ISIPHGWBZFWMOX-GFCCVEGCSA-N 0 1 317.393 1.681 10 0 DDAEMN CNC(=O)c1ccn([C@@H]2CCCN(Cc3cnc(N)s3)C2)n1 ZINC000261971094 407694566 /nfs/dbraw/zinc/69/45/66/407694566.db2.gz IGWSZZBTEKPKNF-SNVBAGLBSA-N 0 1 320.422 1.119 10 0 DDAEMN CCc1ccc2c(CN3C[C@H](O)C[C@@H]3CO)cc(=O)oc2c1 ZINC000179185239 407750656 /nfs/dbraw/zinc/75/06/56/407750656.db2.gz OPKVITLJFAXYRZ-ZIAGYGMSSA-N 0 1 303.358 1.283 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC000262304445 407789931 /nfs/dbraw/zinc/78/99/31/407789931.db2.gz OIDTWYKRYHJFLH-QGZVFWFLSA-N 0 1 314.385 1.952 10 0 DDAEMN C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000133056479 407815945 /nfs/dbraw/zinc/81/59/45/407815945.db2.gz KOIYUWIOELSOTI-SNVBAGLBSA-N 0 1 313.195 1.931 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2cccc(F)c2F)[C@@H](C)C1 ZINC000173885022 407901791 /nfs/dbraw/zinc/90/17/91/407901791.db2.gz YZUWZZZFEUCRCV-JQWIXIFHSA-N 0 1 318.389 1.972 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H](C)CSC)C[C@H]1CC ZINC000153918910 407933904 /nfs/dbraw/zinc/93/39/04/407933904.db2.gz JTRLTELBPOFBPU-UONOGXRCSA-N 0 1 317.499 1.880 10 0 DDAEMN C[S@@](=O)c1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000181386478 407989341 /nfs/dbraw/zinc/98/93/41/407989341.db2.gz WRHWLFQICSFFGS-WHEQGISXSA-N 0 1 318.402 1.910 10 0 DDAEMN C[C@H](C(=O)[O-])[N@@H+](CCC(=O)N1CCc2sccc2C1)C1CC1 ZINC000263048314 408010400 /nfs/dbraw/zinc/01/04/00/408010400.db2.gz DEYLDERASUXVOD-LLVKDONJSA-N 0 1 322.430 1.960 10 0 DDAEMN CCN(C[C@@H](O)C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC000189452155 408019898 /nfs/dbraw/zinc/01/98/98/408019898.db2.gz ONOIULSFSDTQPF-UONOGXRCSA-N 0 1 321.339 1.809 10 0 DDAEMN CCOCCN1CCN(Cc2c(C)nn(C)c2OC)C[C@H]1C ZINC000245740563 408058222 /nfs/dbraw/zinc/05/82/22/408058222.db2.gz LQTQXSQNHHRGAO-CYBMUJFWSA-N 0 1 310.442 1.280 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000245849714 408079283 /nfs/dbraw/zinc/07/92/83/408079283.db2.gz FTYCVVHOFNYAGM-GJZGRUSLSA-N 0 1 321.421 1.162 10 0 DDAEMN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2c(O)cccc2F)C1 ZINC000190002580 408144356 /nfs/dbraw/zinc/14/43/56/408144356.db2.gz YMSMPGHSSBNZQQ-MWLCHTKSSA-N 0 1 321.308 1.825 10 0 DDAEMN COc1cc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)ccc1C ZINC000263463883 408147222 /nfs/dbraw/zinc/14/72/22/408147222.db2.gz CIRLWCOKBSAUOH-HNNXBMFYSA-N 0 1 322.405 1.221 10 0 DDAEMN CCCCS(=O)(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263468896 408149118 /nfs/dbraw/zinc/14/91/18/408149118.db2.gz HCMAGYXIPHDHMX-UHFFFAOYSA-N 0 1 318.439 1.034 10 0 DDAEMN COCC1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CCC1 ZINC000263476813 408151756 /nfs/dbraw/zinc/15/17/56/408151756.db2.gz ZKGUGZLURQKXLW-UHFFFAOYSA-N 0 1 324.421 1.247 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(F)cc2F)CCN1C[C@H](C)O ZINC000246704461 408319655 /nfs/dbraw/zinc/31/96/55/408319655.db2.gz CJBDIJFRIFFBRM-AAEUAGOBSA-N 0 1 312.360 1.882 10 0 DDAEMN CC[N@H+](CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)C1CC1 ZINC000176083169 408282664 /nfs/dbraw/zinc/28/26/64/408282664.db2.gz NVHKHFLRESZPMH-INIZCTEOSA-N 0 1 319.453 1.850 10 0 DDAEMN Cc1ccc([C@H](C)NCc2cc(=O)n(C)c(=O)n2C)cc1F ZINC000176125363 408292805 /nfs/dbraw/zinc/29/28/05/408292805.db2.gz SMLWXZBAGURZEO-NSHDSACASA-N 0 1 305.353 1.382 10 0 DDAEMN CCOC(=O)CCCCN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000132982159 162048369 /nfs/dbraw/zinc/04/83/69/162048369.db2.gz BZKOVVNCGOGLDO-INIZCTEOSA-N 0 1 323.437 1.934 10 0 DDAEMN CCc1oc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1C ZINC000133111421 162051355 /nfs/dbraw/zinc/05/13/55/162051355.db2.gz JLEKJTYYOOOVHN-CYBMUJFWSA-N 0 1 304.350 1.791 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)N[C@@H](C)CSC)CCO2)n[nH]1 ZINC000141384533 162134608 /nfs/dbraw/zinc/13/46/08/162134608.db2.gz LHGFPJHVMSQOAV-VHSXEESVSA-N 0 1 313.427 1.202 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccccc2F)CCN1C[C@H](C)O ZINC000246924830 408367920 /nfs/dbraw/zinc/36/79/20/408367920.db2.gz QVBTUYIRHAQKST-KBPBESRZSA-N 0 1 324.396 1.508 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000173459355 162341485 /nfs/dbraw/zinc/34/14/85/162341485.db2.gz SXTBPINSEYZNKX-RHSMWYFYSA-N 0 1 323.481 1.164 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)n[nH]1 ZINC000173528032 162344937 /nfs/dbraw/zinc/34/49/37/162344937.db2.gz WFZOTZLUKCAPMV-OAHLLOKOSA-N 0 1 323.356 1.875 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3cccs3)CCO2)n[nH]1 ZINC000173516757 162345571 /nfs/dbraw/zinc/34/55/71/162345571.db2.gz WBABISMWEMSVNV-ITKZLYELSA-N 0 1 304.375 1.788 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(F)cc(F)c3)CCO2)n[nH]1 ZINC000173523787 162345770 /nfs/dbraw/zinc/34/57/70/162345770.db2.gz SLTPNJKQLTWOCN-GFCCVEGCSA-N 0 1 308.288 1.605 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(C)c(C)c3)CCO2)n[nH]1 ZINC000173543555 162346937 /nfs/dbraw/zinc/34/69/37/162346937.db2.gz GMBIZSSRKLKULM-AWEZNQCLSA-N 0 1 300.362 1.944 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3csc(C(C)C)n3)CCO2)n[nH]1 ZINC000173534246 162347180 /nfs/dbraw/zinc/34/71/80/162347180.db2.gz DTFGSOXVEURCLO-NSHDSACASA-N 0 1 321.406 1.907 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000173677257 162355704 /nfs/dbraw/zinc/35/57/04/162355704.db2.gz UUFLOACJMBMMFY-CYBMUJFWSA-N 0 1 301.350 1.125 10 0 DDAEMN CC1(C)[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)[C@H]2CCO[C@H]21 ZINC000246978800 408379250 /nfs/dbraw/zinc/37/92/50/408379250.db2.gz PAVSFMSFWSMRLV-KBUPBQIOSA-N 0 1 307.438 1.680 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCCC3CCCC3)CCO2)n[nH]1 ZINC000175386267 162465584 /nfs/dbraw/zinc/46/55/84/162465584.db2.gz SRIPSNIPWWNGQQ-CYBMUJFWSA-N 0 1 307.398 1.776 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000247227394 408433628 /nfs/dbraw/zinc/43/36/28/408433628.db2.gz RATZRSRXSWKZTM-CVEARBPZSA-N 0 1 313.486 1.724 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(C[C@H](O)CC)CC1 ZINC000177194759 408548944 /nfs/dbraw/zinc/54/89/44/408548944.db2.gz VDSHRBMYHUMAQU-CQSZACIVSA-N 0 1 324.421 1.517 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000177310465 408578547 /nfs/dbraw/zinc/57/85/47/408578547.db2.gz XNSLGMMTZIASFW-CQSZACIVSA-N 0 1 322.405 1.535 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000249018369 408674263 /nfs/dbraw/zinc/67/42/63/408674263.db2.gz QFIGQHBQOSUOQP-AWEZNQCLSA-N 0 1 312.410 1.744 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Nc2ccnn2C(C)(C)C)C[C@H]1C ZINC000248833989 408642367 /nfs/dbraw/zinc/64/23/67/408642367.db2.gz ZQGSKAXZMUVWBB-OLZOCXBDSA-N 0 1 323.441 1.557 10 0 DDAEMN CC[C@H]1CN([C@H](C)C(=O)NC(C)(C)CC)CCN1CCOC ZINC000252321452 408794266 /nfs/dbraw/zinc/79/42/66/408794266.db2.gz AOVSUXRPEUPWQW-CABCVRRESA-N 0 1 313.486 1.722 10 0 DDAEMN O=c1[nH]cnc(NCC(F)F)c1I ZINC000165315593 408809103 /nfs/dbraw/zinc/80/91/03/408809103.db2.gz IBIHKLBQYFTBSF-UHFFFAOYSA-N 0 1 301.034 1.052 10 0 DDAEMN Cc1nc([C@H]2CN(S(=O)(=O)CC3CCCC3)CCO2)n[nH]1 ZINC000178354358 408811497 /nfs/dbraw/zinc/81/14/97/408811497.db2.gz SDUTUYZPSRZARB-GFCCVEGCSA-N 0 1 314.411 1.006 10 0 DDAEMN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN3CCCC[C@H]3C1)CS2 ZINC000249884356 408770502 /nfs/dbraw/zinc/77/05/02/408770502.db2.gz AQQSERPWEVFKDK-ZENOOKHLSA-N 0 1 323.462 1.137 10 0 DDAEMN CCn1cnnc1[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000249896972 408772740 /nfs/dbraw/zinc/77/27/40/408772740.db2.gz RTXNHKXSEYHRHL-HUUCEWRRSA-N 0 1 313.405 1.704 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@H](C)C(C)C)CCO2)n[nH]1 ZINC000178150956 408780446 /nfs/dbraw/zinc/78/04/46/408780446.db2.gz YTNKOBMUAVMJJH-NWDGAFQWSA-N 0 1 309.414 1.742 10 0 DDAEMN O=C(NCCCCN1CCOCC1)N[C@@H]1COc2ccccc21 ZINC000195197390 408815303 /nfs/dbraw/zinc/81/53/03/408815303.db2.gz YGILIGXWNVHXGV-OAHLLOKOSA-N 0 1 319.405 1.532 10 0 DDAEMN CN(CC1CC1)C(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188108907 163041637 /nfs/dbraw/zinc/04/16/37/163041637.db2.gz LFDYHCLKCLUMSM-CABCVRRESA-N 0 1 308.447 1.624 10 0 DDAEMN CCOCCN1CCN(Cc2cn(C(C)(C)C)nn2)C[C@H]1CC ZINC000191337575 163182222 /nfs/dbraw/zinc/18/22/22/163182222.db2.gz BJJGBJBCRWOZLT-MRXNPFEDSA-N 0 1 323.485 1.966 10 0 DDAEMN CCOCCN1CCN([C@@H](C)c2nnnn2C2CC2)C[C@H]1CC ZINC000192001931 163211724 /nfs/dbraw/zinc/21/17/24/163211724.db2.gz IYTHOOBBEKEJAT-UONOGXRCSA-N 0 1 322.457 1.502 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000248620624 163602193 /nfs/dbraw/zinc/60/21/93/163602193.db2.gz MWLGGPPHJOSASD-LEOABGAYSA-N 0 1 311.470 1.908 10 0 DDAEMN CC(C)n1cc([C@@]2(O)CCN(CCOc3ccccc3)C2)nn1 ZINC000284538346 409349568 /nfs/dbraw/zinc/34/95/68/409349568.db2.gz DSHVSBRUOLBSNH-QGZVFWFLSA-N 0 1 316.405 1.831 10 0 DDAEMN CN(C)[C@H](CNc1ncc(C(N)=O)cc1Cl)c1cnn(C)c1 ZINC000301274615 410689827 /nfs/dbraw/zinc/68/98/27/410689827.db2.gz IFOJYGNTCDXSSX-GFCCVEGCSA-N 0 1 322.800 1.282 10 0 DDAEMN O[C@@H]1CN[C@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000131769340 196197237 /nfs/dbraw/zinc/19/72/37/196197237.db2.gz ACDDMKDLZAPALG-BQBZGAKWSA-N 0 1 316.180 1.956 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CCO2)n[nH]1 ZINC000367074041 418556994 /nfs/dbraw/zinc/55/69/94/418556994.db2.gz WDHWHLIUWCEPJL-SRRSOLGSSA-N 0 1 308.382 1.081 10 0 DDAEMN CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1ncc(OC)cn1 ZINC000645729090 423157752 /nfs/dbraw/zinc/15/77/52/423157752.db2.gz VXPVXJFWQJSHIO-OLZOCXBDSA-N 0 1 304.394 1.574 10 0 DDAEMN CN(C)C(=O)c1ccc(NC[C@@H](c2cnn(C)c2)N(C)C)nc1 ZINC000301251726 229587633 /nfs/dbraw/zinc/58/76/33/229587633.db2.gz ACBCHNNQSUSHNR-AWEZNQCLSA-N 0 1 316.409 1.232 10 0 DDAEMN Cc1nc([C@@H]2CN(c3nc(CC(C)C)ns3)CCO2)n[nH]1 ZINC000302295912 230208803 /nfs/dbraw/zinc/20/88/03/230208803.db2.gz OSLZTAJVDBZABX-JTQLQIEISA-N 0 1 308.411 1.741 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000572640053 421808177 /nfs/dbraw/zinc/80/81/77/421808177.db2.gz SKUFNYOLJDWLJY-SNVBAGLBSA-N 0 1 321.602 1.692 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2c[nH]nn2)C1 ZINC000616598893 422517153 /nfs/dbraw/zinc/51/71/53/422517153.db2.gz UVVNQXOZHCPGIH-GFCCVEGCSA-N 0 1 311.386 1.093 10 0 DDAEMN C[C@@H](NC(=O)[C@H](N)[C@H](C)OCc1ccccc1)[C@H]1CCCO1 ZINC000637930345 422485808 /nfs/dbraw/zinc/48/58/08/422485808.db2.gz VUOHRJDAXCSVAR-OCVGTWLNSA-N 0 1 306.406 1.603 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000638010728 422552859 /nfs/dbraw/zinc/55/28/59/422552859.db2.gz LXMOZWMPNUEBRY-QSPRXWTASA-N 0 1 320.433 1.586 10 0 DDAEMN O[C@@H]1C[C@H](NCc2cccc3c2OCCO3)[C@H]1n1cccn1 ZINC000657515273 424391026 /nfs/dbraw/zinc/39/10/26/424391026.db2.gz UJAKDEZFZFWQLX-GZBFAFLISA-N 0 1 301.346 1.118 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000262352870 277595607 /nfs/dbraw/zinc/59/56/07/277595607.db2.gz JIAQBSXAZRLUEI-YDHLFZDLSA-N 0 1 321.421 1.208 10 0 DDAEMN C[C@H](C(=O)N1CCCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246855039 279192023 /nfs/dbraw/zinc/19/20/23/279192023.db2.gz FFMBUKOOFCUVME-HZPDHXFCSA-N 0 1 309.454 1.184 10 0 DDAEMN Cc1cc(C)cc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000105933121 281051533 /nfs/dbraw/zinc/05/15/33/281051533.db2.gz PWZCWYUWDASMEG-ZBFHGGJFSA-N 0 1 305.422 1.551 10 0 DDAEMN C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000086468667 288328534 /nfs/dbraw/zinc/32/85/34/288328534.db2.gz CIKAFKJASGYEIL-JGVFFNPUSA-N 0 1 308.325 1.475 10 0 DDAEMN CCOCC[N@H+]1CCN(C(=O)N[C@H](C)CSC)C[C@@H]1CC ZINC000246734295 282011017 /nfs/dbraw/zinc/01/10/17/282011017.db2.gz JTRLTELBPOFBPU-KGLIPLIRSA-N 0 1 317.499 1.880 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H](C)CSC)C[C@@H]1CC ZINC000246734295 282011020 /nfs/dbraw/zinc/01/10/20/282011020.db2.gz JTRLTELBPOFBPU-KGLIPLIRSA-N 0 1 317.499 1.880 10 0 DDAEMN CCCCN(C[C@@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246831014 282017769 /nfs/dbraw/zinc/01/77/69/282017769.db2.gz OCQBMNDSEGYZQD-UONOGXRCSA-N 0 1 321.483 1.452 10 0 DDAEMN CO[C@@H]1CN(Cc2cccc3c2OCO3)C[C@H]1c1c[nH]nn1 ZINC000668575488 485220704 /nfs/dbraw/zinc/22/07/04/485220704.db2.gz JUYBKIZRMMXZJL-SMDDNHRTSA-N 0 1 302.334 1.148 10 0 DDAEMN CCOC[C@@H](O)CN1CCCC[C@H]1c1ccc(C(=O)NC)n1C ZINC000328628625 528901215 /nfs/dbraw/zinc/90/12/15/528901215.db2.gz HKFNLMRVPAZKHE-ZFWWWQNUSA-N 0 1 323.437 1.309 10 0 DDAEMN O=C(N[C@@H]1COc2ccccc21)c1nnc2ccccc2c1O ZINC000111586549 696644371 /nfs/dbraw/zinc/64/43/71/696644371.db2.gz ZYNZLDKFVMXQPA-CYBMUJFWSA-N 0 1 307.309 1.787 10 0 DDAEMN CC[C@H]1CN(Cn2ccc(C(F)(F)F)n2)CCN1CCOC ZINC000117325116 696670590 /nfs/dbraw/zinc/67/05/90/696670590.db2.gz JDVUMDFAKFDFII-LBPRGKRZSA-N 0 1 320.359 1.902 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(-c3ccc(Br)cn3)no2)C1 ZINC000131867500 696809352 /nfs/dbraw/zinc/80/93/52/696809352.db2.gz PBFVWECGGJMWRN-VXNVDRBHSA-N 0 1 311.139 1.289 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000262273583 698462519 /nfs/dbraw/zinc/46/25/19/698462519.db2.gz KRRPNBMTDGAEQB-VXGBXAGGSA-N 0 1 313.195 1.526 10 0 DDAEMN CCn1cnc2c1ncnc2NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263553134 698513517 /nfs/dbraw/zinc/51/35/17/698513517.db2.gz MJFYXERRBZSDAA-UHFFFAOYSA-N 0 1 318.381 1.196 10 0 DDAEMN Cc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNc3nc(C)cc(C)n3)C2)n1 ZINC000856774244 704538159 /nfs/dbraw/zinc/53/81/59/704538159.db2.gz RDRAASLEYUGRFR-YNEHKIRRSA-N 0 1 302.382 1.487 10 0 DDAEMN Cc1nnc([C@@H]2C[C@@H](O)[C@@H](CNc3nc(C)cc(C)n3)C2)[nH]1 ZINC000856774244 704538160 /nfs/dbraw/zinc/53/81/60/704538160.db2.gz RDRAASLEYUGRFR-YNEHKIRRSA-N 0 1 302.382 1.487 10 0 DDAEMN CCO[C@@H](C(=O)N1CCC[C@@H]1c1nn[nH]n1)c1ccccc1 ZINC000900394622 709574168 /nfs/dbraw/zinc/57/41/68/709574168.db2.gz VZWIURYTDPQGKX-CHWSQXEVSA-N 0 1 301.350 1.641 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(C)nc2NC)CCN1C[C@H](C)O ZINC000900868602 709799079 /nfs/dbraw/zinc/79/90/79/709799079.db2.gz UBVKPGNBWNYEGA-KBPBESRZSA-N 0 1 320.437 1.349 10 0 DDAEMN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(CO)nc21 ZINC000906388483 712313299 /nfs/dbraw/zinc/31/32/99/712313299.db2.gz QBOUFFGAYFTCOC-LBPRGKRZSA-N 0 1 317.345 1.223 10 0 DDAEMN C/C=C\[C@H](O)C(=O)N1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000907556815 712594548 /nfs/dbraw/zinc/59/45/48/712594548.db2.gz WEMAUWVTWATNTI-QFQUVNDNSA-N 0 1 303.406 1.781 10 0 DDAEMN C[C@H](c1ccc(F)nc1)N1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000930773736 713917342 /nfs/dbraw/zinc/91/73/42/713917342.db2.gz GZMFOUHNDQMNAJ-WBMJQRKESA-N 0 1 309.385 1.587 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)CCN1C[C@H](C)O ZINC000248498319 282088011 /nfs/dbraw/zinc/08/80/11/282088011.db2.gz RPGCZUAOMSGDCF-DZGCQCFKSA-N 0 1 309.454 1.663 10 0 DDAEMN CC(C)Oc1ccc(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000074731535 185014375 /nfs/dbraw/zinc/01/43/75/185014375.db2.gz RHYNQWXBZMUOLS-UHFFFAOYSA-N 0 1 303.318 1.032 10 0 DDAEMN Cc1ccc(CCNC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cn1 ZINC000248598835 282092945 /nfs/dbraw/zinc/09/29/45/282092945.db2.gz IQBSLCGLAFOLFI-CABCVRRESA-N 0 1 320.437 1.029 10 0 DDAEMN CCCN[C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCOC ZINC000081944533 192346203 /nfs/dbraw/zinc/34/62/03/192346203.db2.gz IBLVQJLDCPVUFI-HUUCEWRRSA-N 0 1 313.419 1.550 10 0 DDAEMN C[N@@H+](C1CCS(=O)(=O)CC1)C1(CC(=O)[O-])CCCCC1 ZINC000087572918 185228694 /nfs/dbraw/zinc/22/86/94/185228694.db2.gz NLXXAURNCROCTI-UHFFFAOYSA-N 0 1 303.424 1.673 10 0 DDAEMN CC(C)c1nsc(N2CCN(C(C)(C)C(N)=S)CC2)n1 ZINC000087639974 185229815 /nfs/dbraw/zinc/22/98/15/185229815.db2.gz PATGETNLGGGHHR-UHFFFAOYSA-N 0 1 313.496 1.848 10 0 DDAEMN C[C@@H](NCC(=O)NC1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000181746855 539238530 /nfs/dbraw/zinc/23/85/30/539238530.db2.gz GFBIORSZBSTDBJ-GFCCVEGCSA-N 0 1 320.389 1.404 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)o1 ZINC000088551246 185257443 /nfs/dbraw/zinc/25/74/43/185257443.db2.gz NVFWBBHXSBCRBJ-LBPRGKRZSA-N 0 1 308.359 1.411 10 0 DDAEMN COCCCS(=O)(=O)C[C@H](N)c1ccc(OC)c(OC)c1 ZINC000081986024 192349493 /nfs/dbraw/zinc/34/94/93/192349493.db2.gz RZVZZESEYHDMNY-LBPRGKRZSA-N 0 1 317.407 1.155 10 0 DDAEMN CN[C@H](C[S@@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998725 192353706 /nfs/dbraw/zinc/35/37/06/192353706.db2.gz JRXBTYGVEGOTPC-SPLOXXLWSA-N 0 1 315.435 1.750 10 0 DDAEMN CCN[C@@](CO[C@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674591 185309001 /nfs/dbraw/zinc/30/90/01/185309001.db2.gz JWVCTSXXVYSGSM-ZWNOBZJWSA-N 0 1 304.312 1.944 10 0 DDAEMN Cc1cc(=O)n2nc(C[N@@H+](CC(=O)[O-])C(C)(C)C)sc2n1 ZINC000092449749 185319316 /nfs/dbraw/zinc/31/93/16/185319316.db2.gz BTJYBRQDXIIKHX-UHFFFAOYSA-N 0 1 310.379 1.145 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255223559 282241325 /nfs/dbraw/zinc/24/13/25/282241325.db2.gz NRMMHLZPVOEUQI-ABCZVMIZSA-N 0 1 307.369 1.149 10 0 DDAEMN Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc(N)c1C ZINC000092622520 185329791 /nfs/dbraw/zinc/32/97/91/185329791.db2.gz JRMXFTWQEBDFAC-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000092627860 185330456 /nfs/dbraw/zinc/33/04/56/185330456.db2.gz GDUNLCCJUVUTLO-SNVBAGLBSA-N 0 1 320.846 1.178 10 0 DDAEMN O=C(Nc1cccc(Br)c1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092779563 185340375 /nfs/dbraw/zinc/34/03/75/185340375.db2.gz PPLMSHIHYFMOKH-LLVKDONJSA-N 0 1 321.178 1.825 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2ccccn2)CCN1C[C@@H](C)O ZINC000181524922 199310423 /nfs/dbraw/zinc/31/04/23/199310423.db2.gz ZCBGCXKGIFMTIX-GDBMZVCRSA-N 0 1 320.437 1.111 10 0 DDAEMN CN(C[C@H]1CCCN1c1cccnn1)c1ccncc1C(N)=O ZINC000302023533 529966663 /nfs/dbraw/zinc/96/66/63/529966663.db2.gz JMBBFXHTHJVLIO-GFCCVEGCSA-N 0 1 312.377 1.076 10 0 DDAEMN COCCO[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000187990196 186240787 /nfs/dbraw/zinc/24/07/87/186240787.db2.gz PAGWTXNCGRYDBP-SJORKVTESA-N 0 1 320.433 1.423 10 0 DDAEMN COc1cc(I)cc2n[nH]c(C=O)c21 ZINC000014984788 352152225 /nfs/dbraw/zinc/15/22/25/352152225.db2.gz BLSVKCNTOXFUDC-UHFFFAOYSA-N 0 1 302.071 1.989 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NCCOc1ccccc1 ZINC000172802730 198150898 /nfs/dbraw/zinc/15/08/98/198150898.db2.gz SCGFJBLFKGKCIB-MRXNPFEDSA-N 0 1 317.433 1.352 10 0 DDAEMN C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1N1CCOCC1 ZINC000173850541 198260615 /nfs/dbraw/zinc/26/06/15/198260615.db2.gz ZEKISQBEWZSVOU-NHYWBVRUSA-N 0 1 304.394 1.080 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000174004865 198279286 /nfs/dbraw/zinc/27/92/86/198279286.db2.gz KAJMBIVWFULEDJ-WFASDCNBSA-N 0 1 314.426 1.974 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000174322252 198319307 /nfs/dbraw/zinc/31/93/07/198319307.db2.gz LTXLTSWBXXIHTK-CHWSQXEVSA-N 0 1 310.825 1.796 10 0 DDAEMN CS(=O)(=O)c1ccccc1NC[C@H](O)CN1CCCCC1 ZINC000174686330 198370212 /nfs/dbraw/zinc/37/02/12/198370212.db2.gz NUHVCSKXQUOLFH-ZDUSSCGKSA-N 0 1 312.435 1.349 10 0 DDAEMN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176206720 198558527 /nfs/dbraw/zinc/55/85/27/198558527.db2.gz YHVGLAZCICBHPU-UWVGGRQHSA-N 0 1 311.386 1.675 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(CCOCC)[C@@H](C)C2)n[nH]1 ZINC000117276307 353992925 /nfs/dbraw/zinc/99/29/25/353992925.db2.gz FPZWBOWASPWEAQ-ZDUSSCGKSA-N 0 1 308.426 1.545 10 0 DDAEMN CC1(C)S[C@@H](CNC(=O)Cc2ccccc2)[NH2+][C@@H]1C(=O)[O-] ZINC000004896576 181169407 /nfs/dbraw/zinc/16/94/07/181169407.db2.gz LRWFMQCGNBOTQP-QWHCGFSZSA-N 0 1 308.403 1.240 10 0 DDAEMN NC(=O)c1ccc(NS(=O)(=O)c2ccc3ncoc3c2)cc1 ZINC000074937208 191391160 /nfs/dbraw/zinc/39/11/60/191391160.db2.gz PSGVWILFTXXRRX-UHFFFAOYSA-N 0 1 317.326 1.728 10 0 DDAEMN CNc1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1 ZINC000005160145 181211599 /nfs/dbraw/zinc/21/15/99/181211599.db2.gz AEGPRVJRZBQPTE-UHFFFAOYSA-N 0 1 309.333 1.864 10 0 DDAEMN CN(CC(=O)N1CCCC1)C[C@H](C(N)=S)c1ccccc1 ZINC000080810242 192193031 /nfs/dbraw/zinc/19/30/31/192193031.db2.gz ZISHJPAZBQJQDX-AWEZNQCLSA-N 0 1 305.447 1.611 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000180848030 199218293 /nfs/dbraw/zinc/21/82/93/199218293.db2.gz XSSXZYMOIZWKTA-IAGOWNOFSA-N 0 1 317.433 1.793 10 0 DDAEMN COc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)ccc1F ZINC000190618351 200565190 /nfs/dbraw/zinc/56/51/90/200565190.db2.gz UEYGEVCYBOVHFA-SNVBAGLBSA-N 0 1 302.371 1.159 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091491927 193064188 /nfs/dbraw/zinc/06/41/88/193064188.db2.gz ZQTWYNADIOFCLA-NSHDSACASA-N 0 1 311.495 1.878 10 0 DDAEMN COC(=O)c1sccc1NC(=O)CN(C)CC1CC(O)C1 ZINC000091498925 193065360 /nfs/dbraw/zinc/06/53/60/193065360.db2.gz FUUKLLCTQRYESQ-UHFFFAOYSA-N 0 1 312.391 1.176 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000093648444 193283582 /nfs/dbraw/zinc/28/35/82/193283582.db2.gz KCFBBESVHCTIOH-CQSZACIVSA-N 0 1 309.435 1.354 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000093649022 193285162 /nfs/dbraw/zinc/28/51/62/193285162.db2.gz ZQLHYAGCBNFDFF-AWEZNQCLSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NCc2cnc[nH]2)cc1N ZINC000094639723 193388091 /nfs/dbraw/zinc/38/80/91/193388091.db2.gz UEMLCQZJYAYPBU-UHFFFAOYSA-N 0 1 300.771 1.432 10 0 DDAEMN CSCC[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000094441958 193369681 /nfs/dbraw/zinc/36/96/81/193369681.db2.gz DVEWYGGZHZERRN-VXGBXAGGSA-N 0 1 315.439 1.072 10 0 DDAEMN N[C@@]1(C(=O)Nc2cc(Br)ccc2O)CCOC1 ZINC000094573529 193381443 /nfs/dbraw/zinc/38/14/43/193381443.db2.gz UDARUEOFQALJDU-NSHDSACASA-N 0 1 301.140 1.211 10 0 DDAEMN NNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000019230638 182108838 /nfs/dbraw/zinc/10/88/38/182108838.db2.gz GBIXWCYADDILHE-UHFFFAOYSA-N 0 1 300.290 1.446 10 0 DDAEMN N[C@@H](C(=O)N1CCN(c2nccs2)CC1)c1ccccc1 ZINC000019231306 182109666 /nfs/dbraw/zinc/10/96/66/182109666.db2.gz VQBDUUPVTYBUOK-CYBMUJFWSA-N 0 1 302.403 1.492 10 0 DDAEMN Cc1nnc(SCCCN2C(=O)c3ccccc3C2=O)[nH]1 ZINC000021586656 182280747 /nfs/dbraw/zinc/28/07/47/182280747.db2.gz JIDWGKSDCGEAJN-UHFFFAOYSA-N 0 1 302.359 1.892 10 0 DDAEMN C[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(C2CCCC2)ns1 ZINC000333637119 249052183 /nfs/dbraw/zinc/05/21/83/249052183.db2.gz BQMLLVGJYWAYKQ-WCBMZHEXSA-N 0 1 301.437 1.463 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC)c(N)c2)C1 ZINC000040501829 183083214 /nfs/dbraw/zinc/08/32/14/183083214.db2.gz MBDJWGGLVJXQAP-NSHDSACASA-N 0 1 313.423 1.040 10 0 DDAEMN CCC[NH+]1CCC([N-]S(=O)(=O)c2cnc(Cl)s2)CC1 ZINC000040805241 183135976 /nfs/dbraw/zinc/13/59/76/183135976.db2.gz HLMNLQAKTCIXIN-UHFFFAOYSA-N 0 1 323.871 1.949 10 0 DDAEMN Nc1cc(N)nc(SCCC(=O)Nc2ccccc2N)n1 ZINC000041023459 183156778 /nfs/dbraw/zinc/15/67/78/183156778.db2.gz WFPAQVDFUINMJX-UHFFFAOYSA-N 0 1 304.379 1.344 10 0 DDAEMN NCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043428299 183361474 /nfs/dbraw/zinc/36/14/74/183361474.db2.gz FFKMDBANABUMLK-NWDGAFQWSA-N 0 1 316.448 1.539 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)cc1C ZINC000105932817 194173539 /nfs/dbraw/zinc/17/35/39/194173539.db2.gz WRFYWCPHGOWEPJ-GDBMZVCRSA-N 0 1 305.422 1.551 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CCN1CCOC ZINC000106116276 194187884 /nfs/dbraw/zinc/18/78/84/194187884.db2.gz RSBSYQFBIKOZDS-AWEZNQCLSA-N 0 1 324.421 1.917 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000106454250 194215509 /nfs/dbraw/zinc/21/55/09/194215509.db2.gz KZSJEQWKZRTNGC-MRXNPFEDSA-N 0 1 300.406 1.562 10 0 DDAEMN CCOC(=O)[C@@](C)(N)CCCCSc1nnc(C)n1C ZINC000110034029 194305255 /nfs/dbraw/zinc/30/52/55/194305255.db2.gz UTPXKJQNBDGISC-ZDUSSCGKSA-N 0 1 300.428 1.666 10 0 DDAEMN C[C@H](NCc1ccc(F)c(Cl)c1)C(=O)N1CCOCC1 ZINC000053156395 183890176 /nfs/dbraw/zinc/89/01/76/183890176.db2.gz JHJVTHMCGCFCDQ-JTQLQIEISA-N 0 1 300.761 1.816 10 0 DDAEMN CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)C[C@@H](C)C(=O)[O-] ZINC000061218893 184166150 /nfs/dbraw/zinc/16/61/50/184166150.db2.gz BCYAOYNNRQPSEP-SNVBAGLBSA-N 0 1 313.423 1.316 10 0 DDAEMN CCCn1c(SCCCC[C@](C)(N)C(=O)OC)n[nH]c1=O ZINC000061607991 184178078 /nfs/dbraw/zinc/17/80/78/184178078.db2.gz GCXHBCPJBKICDG-ZDUSSCGKSA-N 0 1 316.427 1.134 10 0 DDAEMN COc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1N ZINC000061682437 184182203 /nfs/dbraw/zinc/18/22/03/184182203.db2.gz VPYQUKGZZPPOHW-UHFFFAOYSA-N 0 1 310.379 1.856 10 0 DDAEMN CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000062133672 184208425 /nfs/dbraw/zinc/20/84/25/184208425.db2.gz MNCWYRPAULUEEU-SMDDNHRTSA-N 0 1 310.419 1.968 10 0 DDAEMN Nc1cn[nH]c1C(=O)NCc1ccc(Br)s1 ZINC000062811794 184253660 /nfs/dbraw/zinc/25/36/60/184253660.db2.gz CUBHVSQHJDQEDG-UHFFFAOYSA-N 0 1 301.169 1.746 10 0 DDAEMN Nc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062975734 184264087 /nfs/dbraw/zinc/26/40/87/184264087.db2.gz KAKCXISHVWVAEP-GFCCVEGCSA-N 0 1 313.398 1.267 10 0 DDAEMN Nc1csc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000062975763 184264091 /nfs/dbraw/zinc/26/40/91/184264091.db2.gz MYENENMCLJOSPS-NSHDSACASA-N 0 1 301.437 1.189 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000120661853 195210373 /nfs/dbraw/zinc/21/03/73/195210373.db2.gz RDBCACHFRGVOLN-GHMZBOCLSA-N 0 1 302.340 1.991 10 0 DDAEMN Cn1cnc2c1[C@@H](C(=O)NCCc1cccs1)CN(C)C2 ZINC000248165662 257107406 /nfs/dbraw/zinc/10/74/06/257107406.db2.gz ZOROCPGUXJMXMT-LBPRGKRZSA-N 0 1 304.419 1.370 10 0 DDAEMN COCCN1CC[C@@H]2C[C@@H](C(=O)NCc3ccco3)O[C@@H]2C1 ZINC000247824606 257117026 /nfs/dbraw/zinc/11/70/26/257117026.db2.gz FIHFMEVTAVZWCH-VHDGCEQUSA-N 0 1 308.378 1.022 10 0 DDAEMN O=C([C@@H]1CN(Cc2cccnc2)[C@H]2CCO[C@@H]12)N1CCCCO1 ZINC000247760722 257117978 /nfs/dbraw/zinc/11/79/78/257117978.db2.gz HDPLJDHLYOMEFH-PMPSAXMXSA-N 0 1 317.389 1.225 10 0 DDAEMN c1csc(CN2C[C@@H]3CCN(c4ncccn4)C[C@@H]3C2)n1 ZINC000253596349 257105463 /nfs/dbraw/zinc/10/54/63/257105463.db2.gz QJGBHHXVLWTUBX-STQMWFEESA-N 0 1 301.419 1.891 10 0 DDAEMN Cc1cccnc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000071339682 406839530 /nfs/dbraw/zinc/83/95/30/406839530.db2.gz YCTWGOHBYKFFFB-LBPRGKRZSA-N 0 1 305.403 1.888 10 0 DDAEMN O=S(=O)(N1CCC(c2ccn[nH]2)CC1)N1CCCCCC1 ZINC000122447545 407301681 /nfs/dbraw/zinc/30/16/81/407301681.db2.gz PXOBXWKDIDYCMX-UHFFFAOYSA-N 0 1 312.439 1.710 10 0 DDAEMN CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000101564275 407311117 /nfs/dbraw/zinc/31/11/17/407311117.db2.gz RPARHCGUZWFGEK-OAHLLOKOSA-N 0 1 303.406 1.666 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000101564275 407311118 /nfs/dbraw/zinc/31/11/18/407311118.db2.gz RPARHCGUZWFGEK-OAHLLOKOSA-N 0 1 303.406 1.666 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC3CCCC3)C2)n1 ZINC000105884841 407356575 /nfs/dbraw/zinc/35/65/75/407356575.db2.gz GZGKKNLNYPVJJP-HNNXBMFYSA-N 0 1 319.453 1.666 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000127115950 407428723 /nfs/dbraw/zinc/42/87/23/407428723.db2.gz SYZKZBXFMCMLQZ-HNNXBMFYSA-N 0 1 317.389 1.256 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000262055045 407726743 /nfs/dbraw/zinc/72/67/43/407726743.db2.gz HTLMXUJOGUYVQH-CQSZACIVSA-N 0 1 305.378 1.271 10 0 DDAEMN O=S(=O)(c1c(F)cc(F)cc1F)N1CCN2CCC[C@@H]2C1 ZINC000171771247 407764330 /nfs/dbraw/zinc/76/43/30/407764330.db2.gz QCHLOXKSUKFBAZ-SNVBAGLBSA-N 0 1 320.336 1.573 10 0 DDAEMN CC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@H](CN(C)C)C2)c1C ZINC000116786547 407777512 /nfs/dbraw/zinc/77/75/12/407777512.db2.gz SZPUOALRWROZTM-CYBMUJFWSA-N 0 1 307.394 1.237 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000262263002 407778394 /nfs/dbraw/zinc/77/83/94/407778394.db2.gz JNKCFLFJPQXXNM-NSHDSACASA-N 0 1 306.284 1.304 10 0 DDAEMN CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@@H](N)COC ZINC000262293758 407787250 /nfs/dbraw/zinc/78/72/50/407787250.db2.gz YWQNPJIGUVRATH-NSHDSACASA-N 0 1 309.366 1.207 10 0 DDAEMN COCC[N@@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C ZINC000117425032 407834494 /nfs/dbraw/zinc/83/44/94/407834494.db2.gz HEWOEFQZWHXORT-SNVBAGLBSA-N 0 1 314.332 1.463 10 0 DDAEMN COCC[N@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C ZINC000117425032 407834499 /nfs/dbraw/zinc/83/44/99/407834499.db2.gz HEWOEFQZWHXORT-SNVBAGLBSA-N 0 1 314.332 1.463 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2cccs2)C1 ZINC000262699539 407903083 /nfs/dbraw/zinc/90/30/83/407903083.db2.gz HMEQXLIUBFHYOD-UHFFFAOYSA-N 0 1 310.419 1.734 10 0 DDAEMN N[C@H](C(=O)NC[C@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000262712782 407907037 /nfs/dbraw/zinc/90/70/37/407907037.db2.gz RWYZIPVMRHFQIS-ZBFHGGJFSA-N 0 1 311.389 1.262 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(OC)c2)C1 ZINC000187358204 407848376 /nfs/dbraw/zinc/84/83/76/407848376.db2.gz INPKEVLCCZOTMT-LBPRGKRZSA-N 0 1 323.368 1.373 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000118857916 407958861 /nfs/dbraw/zinc/95/88/61/407958861.db2.gz FYTJGTIMMOCSCQ-QGZVFWFLSA-N 0 1 323.481 1.382 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2c(C)noc2C)C1 ZINC000262748898 407914873 /nfs/dbraw/zinc/91/48/73/407914873.db2.gz XVVGTPBVZZSELE-UHFFFAOYSA-N 0 1 323.393 1.278 10 0 DDAEMN CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1=O ZINC000262990132 407995334 /nfs/dbraw/zinc/99/53/34/407995334.db2.gz NOTYPTLXTZHSFZ-OPRDCNLKSA-N 0 1 308.300 1.191 10 0 DDAEMN C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262996165 407995992 /nfs/dbraw/zinc/99/59/92/407995992.db2.gz OHGSIUFHXSZTKU-JMJZKYOTSA-N 0 1 322.327 1.629 10 0 DDAEMN COC(=O)CCN1CCN(Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000182118201 408077222 /nfs/dbraw/zinc/07/72/22/408077222.db2.gz QQVVSLNAKJFFPY-CYBMUJFWSA-N 0 1 323.441 1.008 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccc(C)cc3)CCO2)n[nH]1 ZINC000175295724 408099968 /nfs/dbraw/zinc/09/99/68/408099968.db2.gz YNKCBAIEIUFMEO-CQSZACIVSA-N 0 1 315.377 1.705 10 0 DDAEMN COc1ccsc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245992137 408116490 /nfs/dbraw/zinc/11/64/90/408116490.db2.gz GMAYLZLYTIUGMU-WDEREUQCSA-N 0 1 318.464 1.764 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@H](C)CC(=O)OC)C[C@H]1CC ZINC000246138394 408150757 /nfs/dbraw/zinc/15/07/57/408150757.db2.gz WXQUWIIANWOQCB-ZIAGYGMSSA-N 0 1 314.426 1.145 10 0 DDAEMN C[C@@H](O)CN1CCN(CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000122000895 408248918 /nfs/dbraw/zinc/24/89/18/408248918.db2.gz MNKCQBLIQHGFIG-ZIAGYGMSSA-N 0 1 308.397 1.785 10 0 DDAEMN Cc1nc([C@@H]2CN(c3cc(C)nc(C4CC4)n3)CCO2)n[nH]1 ZINC000175778199 408204853 /nfs/dbraw/zinc/20/48/53/408204853.db2.gz ZBGNUNINXGJQTJ-LBPRGKRZSA-N 0 1 300.366 1.667 10 0 DDAEMN O=C(N[C@H]1CCCn2ncnc21)c1cc(F)cc2nc[nH]c21 ZINC000176133801 408293621 /nfs/dbraw/zinc/29/36/21/408293621.db2.gz BDNIHHSCSXMNKK-JTQLQIEISA-N 0 1 300.297 1.558 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C3(CCOC)CCC3)CCO2)n[nH]1 ZINC000133133797 162052904 /nfs/dbraw/zinc/05/29/04/162052904.db2.gz HKECDNAZGRDBHN-GFCCVEGCSA-N 0 1 322.409 1.474 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccccc2F)CCN1C[C@H](C)O ZINC000246924849 408367375 /nfs/dbraw/zinc/36/73/75/408367375.db2.gz QVBTUYIRHAQKST-UONOGXRCSA-N 0 1 324.396 1.508 10 0 DDAEMN COc1ccc(COC[C@H](O)CN2[C@H](C)COC[C@H]2C)cc1 ZINC000246923127 408367634 /nfs/dbraw/zinc/36/76/34/408367634.db2.gz INPPQVOVWWWXBV-IIAWOOMASA-N 0 1 309.406 1.682 10 0 DDAEMN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccs1 ZINC000246998529 408385476 /nfs/dbraw/zinc/38/54/76/408385476.db2.gz NSBDDCNUDIXYFO-RYUDHWBXSA-N 0 1 300.449 1.995 10 0 DDAEMN CC(C)(C)OC(=O)CCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173499010 162343803 /nfs/dbraw/zinc/34/38/03/162343803.db2.gz ZNYTXNFJZVFUGA-CYBMUJFWSA-N 0 1 311.426 1.598 10 0 DDAEMN COCc1ccccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173540625 162347498 /nfs/dbraw/zinc/34/74/98/162347498.db2.gz CUWICPAEFVZRCV-AWEZNQCLSA-N 0 1 316.361 1.473 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc(Cl)n3)CCO2)n[nH]1 ZINC000173600121 162350777 /nfs/dbraw/zinc/35/07/77/162350777.db2.gz BLLFJLFPPSMASG-SNVBAGLBSA-N 0 1 307.741 1.375 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n[nH]1 ZINC000173661554 162355892 /nfs/dbraw/zinc/35/58/92/162355892.db2.gz WUSYEECZGRENLZ-GXTWGEPZSA-N 0 1 323.441 1.520 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(Cl)ccc3O)CCO2)n[nH]1 ZINC000173756055 162363006 /nfs/dbraw/zinc/36/30/06/162363006.db2.gz KJMUKOREXZHMNL-GFCCVEGCSA-N 0 1 322.752 1.686 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccnn3C(C)C)CCO2)n[nH]1 ZINC000176967771 408486534 /nfs/dbraw/zinc/48/65/34/408486534.db2.gz ZNUXQJWCXAUSTE-LLVKDONJSA-N 0 1 319.369 1.496 10 0 DDAEMN COc1cc(C)c(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1C ZINC000247651833 408499485 /nfs/dbraw/zinc/49/94/85/408499485.db2.gz WXCAYIPTEKZRCN-AWEZNQCLSA-N 0 1 324.446 1.781 10 0 DDAEMN CCN(CC(N)=O)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000191701049 408473223 /nfs/dbraw/zinc/47/32/23/408473223.db2.gz KPLUAQJQNOTNQA-CYBMUJFWSA-N 0 1 300.786 1.025 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccn2)CCN1C[C@H](C)O ZINC000248373159 408553269 /nfs/dbraw/zinc/55/32/69/408553269.db2.gz GULKJEUVWZIHQY-ZFWWWQNUSA-N 0 1 306.410 1.068 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000184137445 408555821 /nfs/dbraw/zinc/55/58/21/408555821.db2.gz SVXRMTOTLVASLE-ZDUSSCGKSA-N 0 1 300.399 1.600 10 0 DDAEMN Cc1cccc2nc(CN3C[C@@H](C)[C@H](N4CCOCC4)C3)cn21 ZINC000177237737 408559636 /nfs/dbraw/zinc/55/96/36/408559636.db2.gz MHUMMLWEBCAIFG-RHSMWYFYSA-N 0 1 314.433 1.795 10 0 DDAEMN CC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1C[C@@H](C)O ZINC000184781821 408688463 /nfs/dbraw/zinc/68/84/63/408688463.db2.gz YQANBYLCVBFHCE-DOMZBBRYSA-N 0 1 309.454 1.662 10 0 DDAEMN Cn1cc([C@@H]2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C2)cn1 ZINC000185746119 162944768 /nfs/dbraw/zinc/94/47/68/162944768.db2.gz LGXMEVLMVHAYJB-CQSZACIVSA-N 0 1 322.372 1.835 10 0 DDAEMN Cc1csc(=O)n1CCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195086975 163305504 /nfs/dbraw/zinc/30/55/04/163305504.db2.gz ZWASEILCCZCLNV-ZDUSSCGKSA-N 0 1 309.435 1.305 10 0 DDAEMN O=C(c1cnc2sccn2c1=O)N1CCN2CCCC[C@@H]2C1 ZINC000195080126 163306109 /nfs/dbraw/zinc/30/61/09/163306109.db2.gz OJKWGHAMCFEGTF-LLVKDONJSA-N 0 1 318.402 1.066 10 0 DDAEMN O=C(CCS(=O)(=O)C1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000195333753 163316712 /nfs/dbraw/zinc/31/67/12/163316712.db2.gz NZCUAYHHGZPAIQ-CYBMUJFWSA-N 0 1 314.451 1.041 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1nc(-c2ccccc2)c(C)s1 ZINC000262319280 163805547 /nfs/dbraw/zinc/80/55/47/163805547.db2.gz QBNPDYJOSLKQMZ-ZDUSSCGKSA-N 0 1 319.430 1.751 10 0 DDAEMN Cn1ccnc1[C@@H]1C[N@@H+](CC[C@@H](O)c2ccccc2)CCN1C ZINC000285462440 409454873 /nfs/dbraw/zinc/45/48/73/409454873.db2.gz YVZVXJVFICRMKX-DLBZAZTESA-N 0 1 314.433 1.832 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(CC[C@@H](O)c2ccccc2)CCN1C ZINC000285462440 409454878 /nfs/dbraw/zinc/45/48/78/409454878.db2.gz YVZVXJVFICRMKX-DLBZAZTESA-N 0 1 314.433 1.832 10 0 DDAEMN CN(C)[C@@H](CNc1nnnn1-c1ccccc1)c1cnn(C)c1 ZINC000301296160 410692541 /nfs/dbraw/zinc/69/25/41/410692541.db2.gz RUCJTDGALWNNQM-AWEZNQCLSA-N 0 1 312.381 1.111 10 0 DDAEMN CN(CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000131493018 196174774 /nfs/dbraw/zinc/17/47/74/196174774.db2.gz NAKHCNQIFULJMY-KRWDZBQOSA-N 0 1 300.406 1.720 10 0 DDAEMN Cc1cc(C(=O)CN2CCO[C@@H](CN(C)C)C2)c(C)n1C1CC1 ZINC000133144712 196315083 /nfs/dbraw/zinc/31/50/83/196315083.db2.gz LTHSUVUCAZNTHR-INIZCTEOSA-N 0 1 319.449 1.885 10 0 DDAEMN Cc1cncc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000302204462 230159923 /nfs/dbraw/zinc/15/99/23/230159923.db2.gz CPKRHUQJRQNPIY-MRXNPFEDSA-N 0 1 319.453 1.016 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCOCC[C@@H]1c1cnc[nH]1 ZINC000616598998 422515631 /nfs/dbraw/zinc/51/56/31/422515631.db2.gz NPXLPKACPYXJHX-CQSZACIVSA-N 0 1 307.375 1.562 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@H](c2c[nH]nc2N)C1 ZINC000616620604 422517113 /nfs/dbraw/zinc/51/71/13/422517113.db2.gz JBHBRQKJVSBMGC-NSHDSACASA-N 0 1 309.414 1.696 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2Cn2cncn2)C1 ZINC000173089153 263347418 /nfs/dbraw/zinc/34/74/18/263347418.db2.gz FLNYFLJHODASEJ-HNNXBMFYSA-N 0 1 313.405 1.541 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 ZINC000183579766 276595270 /nfs/dbraw/zinc/59/52/70/276595270.db2.gz NSKUEIMVKSLIBA-LFAOLKIESA-N 0 1 304.390 1.321 10 0 DDAEMN CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000053276060 277038821 /nfs/dbraw/zinc/03/88/21/277038821.db2.gz DGQPIOQRPAGNGB-DANNLKNASA-N 0 1 315.325 1.043 10 0 biogenic,in-vitro DDAEMN C[C@H](C(=O)N(C)C1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173954508 279183919 /nfs/dbraw/zinc/18/39/19/279183919.db2.gz QEXYEKJXPRASAG-WBVHZDCISA-N 0 1 323.481 1.573 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccsc2C(=O)OC)CC1 ZINC000121230824 281134625 /nfs/dbraw/zinc/13/46/25/281134625.db2.gz WVRHDKHISSHCCQ-CYBMUJFWSA-N 0 1 312.435 1.423 10 0 DDAEMN COC(=O)c1sccc1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000122407777 281156187 /nfs/dbraw/zinc/15/61/87/281156187.db2.gz ZENPZVSIFBXRQK-NSHDSACASA-N 0 1 322.390 1.535 10 0 DDAEMN C[C@@H]1NCCN(S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]1C ZINC000262761354 288859502 /nfs/dbraw/zinc/85/95/02/288859502.db2.gz JMFGDGQHTWMTFR-YUMQZZPRSA-N 0 1 308.325 1.475 10 0 DDAEMN CCC[C@H](C(=O)[O-])[C@H](Cc1ccc2c(c1)C[NH2+]C2)c1nn[nH]n1 ZINC000584619336 483918196 /nfs/dbraw/zinc/91/81/96/483918196.db2.gz XQXRQKUFRNGMEV-KBPBESRZSA-N 0 1 315.377 1.630 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C[C@H]3CCCCNC3=O)CCO2)n[nH]1 ZINC000328876442 534583166 /nfs/dbraw/zinc/58/31/66/534583166.db2.gz SODKEVJFFFPCPW-NEPJUHHUSA-N 0 1 321.381 1.160 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C[C@@H]3CCCCNC3=O)CCO2)n[nH]1 ZINC000328876444 534583511 /nfs/dbraw/zinc/58/35/11/534583511.db2.gz SODKEVJFFFPCPW-RYUDHWBXSA-N 0 1 321.381 1.160 10 0 DDAEMN O=C1[C@@H](N2CCC[C@H](c3nncn3C3CC3)C2)CCN1C1CC1 ZINC000329148252 534826451 /nfs/dbraw/zinc/82/64/51/534826451.db2.gz BGLWMCCUAORPOS-WFASDCNBSA-N 0 1 315.421 1.556 10 0 DDAEMN C[C@H](OC(=O)[C@H]1CNC(=O)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989652 696647323 /nfs/dbraw/zinc/64/73/23/696647323.db2.gz WKQQRRICHYPXBJ-JGVFFNPUSA-N 0 1 307.737 1.957 10 0 DDAEMN CCCOC(=O)[C@H](C)N1CCN(CCOCC)[C@H](CC)C1 ZINC000119176270 696678205 /nfs/dbraw/zinc/67/82/05/696678205.db2.gz GCZIHTXNMZYUNJ-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCN(C[C@H](O)CC)CC1 ZINC000174073174 697383778 /nfs/dbraw/zinc/38/37/78/697383778.db2.gz RQDYLESENQFVQP-JKSUJKDBSA-N 0 1 313.486 1.460 10 0 DDAEMN CC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000187433099 697544607 /nfs/dbraw/zinc/54/46/07/697544607.db2.gz HXIMMQVMDSTTEK-OAHLLOKOSA-N 0 1 324.446 1.550 10 0 DDAEMN CC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000187433099 697544609 /nfs/dbraw/zinc/54/46/09/697544609.db2.gz HXIMMQVMDSTTEK-OAHLLOKOSA-N 0 1 324.446 1.550 10 0 DDAEMN O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1CCCn2ncnc21 ZINC000188414708 697558943 /nfs/dbraw/zinc/55/89/43/697558943.db2.gz LGTGYJRFQGCXGR-LBPRGKRZSA-N 0 1 300.366 1.074 10 0 DDAEMN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2ccc(F)nc2)cc1 ZINC000189111956 697571471 /nfs/dbraw/zinc/57/14/71/697571471.db2.gz VUSIHQCBEJFZAM-DZGCQCFKSA-N 0 1 321.308 1.313 10 0 DDAEMN Cc1[nH+]ccn1CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000226810566 697767630 /nfs/dbraw/zinc/76/76/30/697767630.db2.gz WHYCRWNUPIRFQS-AWEZNQCLSA-N 0 1 317.345 1.961 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CN2CC(=O)N(CC)C2=O)C12CCCC2 ZINC000247027251 698359921 /nfs/dbraw/zinc/35/99/21/698359921.db2.gz PCOQTXRVGAOVNT-ZIAGYGMSSA-N 0 1 323.437 1.898 10 0 DDAEMN CCCCCCNC(=O)CN1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247229956 698363224 /nfs/dbraw/zinc/36/32/24/698363224.db2.gz RFKXOKBBLCXXQI-CVEARBPZSA-N 0 1 313.486 1.460 10 0 DDAEMN CC[C@@H]1CC[C@@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000262726655 698479074 /nfs/dbraw/zinc/47/90/74/698479074.db2.gz STTUTQGLMKKNOS-CVSAEHQPSA-N 0 1 324.421 1.388 10 0 DDAEMN C[C@@H](CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000263528322 698511638 /nfs/dbraw/zinc/51/16/38/698511638.db2.gz VEAMMFNPIGZKFC-BBRMVZONSA-N 0 1 324.396 1.646 10 0 DDAEMN CCn1nc(C)c([C@@H](C)NCCS(=O)(=O)C(C)C)c1C ZINC000313510150 698682940 /nfs/dbraw/zinc/68/29/40/698682940.db2.gz LWIKJXNXMCGXGP-LLVKDONJSA-N 0 1 301.456 1.994 10 0 DDAEMN C[C@@H](NCc1ncc(I)s1)[C@H](C)O ZINC000336657002 698769562 /nfs/dbraw/zinc/76/95/62/698769562.db2.gz QQUATRDHYRBNCK-RITPCOANSA-N 0 1 312.176 1.607 10 0 DDAEMN O[C@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cc[nH]c2)C1 ZINC000886079081 708693773 /nfs/dbraw/zinc/69/37/73/708693773.db2.gz HCIFNLCVVIMADA-INIZCTEOSA-N 0 1 302.378 1.845 10 0 DDAEMN CCn1nc(C)c(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 ZINC000886085189 708695394 /nfs/dbraw/zinc/69/53/94/708695394.db2.gz FMPBVWIIUCNHIC-DOMZBBRYSA-N 0 1 304.398 1.207 10 0 DDAEMN CC(C)(C)[C@@H](O)CNC(=O)C1CCC(N2CCOCC2)CC1 ZINC000901072814 709913841 /nfs/dbraw/zinc/91/38/41/709913841.db2.gz WDCOHVBMJAKTOY-NRXISQOPSA-N 0 1 312.454 1.401 10 0 DDAEMN CC(C)Oc1ccccc1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000074731534 185013946 /nfs/dbraw/zinc/01/39/46/185013946.db2.gz MJDLBCMZZYLGBO-UHFFFAOYSA-N 0 1 303.318 1.032 10 0 DDAEMN C[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000083177825 185216210 /nfs/dbraw/zinc/21/62/10/185216210.db2.gz LQBMYXRFLMEVRE-HIFRSBDPSA-N 0 1 311.426 1.060 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000249628854 282187569 /nfs/dbraw/zinc/18/75/69/282187569.db2.gz URXCBDJXAAOXOY-DGCLKSJQSA-N 0 1 313.423 1.097 10 0 DDAEMN Cc1cc([C@H]2CCCN(C(=O)c3cnn4ccncc34)C2)n[nH]1 ZINC000328699957 231312140 /nfs/dbraw/zinc/31/21/40/231312140.db2.gz VXYRMCZJHWIJLO-LBPRGKRZSA-N 0 1 310.361 1.781 10 0 DDAEMN Nc1ncc(Br)cc1C(=O)NCCc1cnc[nH]1 ZINC000087546670 185227984 /nfs/dbraw/zinc/22/79/84/185227984.db2.gz JBYBKYPZRGNIGP-UHFFFAOYSA-N 0 1 310.155 1.122 10 0 DDAEMN O=c1[nH]c([C@H]2CCCS2)ncc1I ZINC000087700849 185230695 /nfs/dbraw/zinc/23/06/95/185230695.db2.gz SGNYIPXHTHHSDX-ZCFIWIBFSA-N 0 1 308.144 1.943 10 0 DDAEMN NNc1ncc(Br)cc1C(=O)NCc1ccon1 ZINC000088054729 185237836 /nfs/dbraw/zinc/23/78/36/185237836.db2.gz TWGUBKPCLYZDTP-UHFFFAOYSA-N 0 1 312.127 1.048 10 0 DDAEMN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000181726775 539238431 /nfs/dbraw/zinc/23/84/31/539238431.db2.gz ASXHGGDGJPSICP-LBPRGKRZSA-N 0 1 304.390 1.977 10 0 DDAEMN CCc1ccc([C@@H](COC)NC[C@H](O)CN2CCCC2=O)o1 ZINC000184840902 539244951 /nfs/dbraw/zinc/24/49/51/539244951.db2.gz ZYBOAQQUXRRVNV-GXTWGEPZSA-N 0 1 310.394 1.102 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cn(C)nc3CC)CCO2)n[nH]1 ZINC000183416206 539241970 /nfs/dbraw/zinc/24/19/70/539241970.db2.gz HMZYKNJGRFHSST-ZDUSSCGKSA-N 0 1 304.398 1.237 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1cccc(SC)c1)C(C)C ZINC000183631984 539242598 /nfs/dbraw/zinc/24/25/98/539242598.db2.gz JYRBMIFDQBFFSR-CQSZACIVSA-N 0 1 309.435 1.707 10 0 DDAEMN O=S(=O)(C[C@@H]1CCCO1)N1CCNCC12CCCCC2 ZINC000088396182 185248372 /nfs/dbraw/zinc/24/83/72/185248372.db2.gz RSTDVQKPGLNPHI-ZDUSSCGKSA-N 0 1 302.440 1.103 10 0 DDAEMN COc1ccc(OC)c(NS(=O)(=O)[C@H](C)C(N)=S)c1 ZINC000088486996 185253445 /nfs/dbraw/zinc/25/34/45/185253445.db2.gz JQYMHMBSFMGYAY-SSDOTTSWSA-N 0 1 304.393 1.120 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000088544170 185256800 /nfs/dbraw/zinc/25/68/00/185256800.db2.gz LJXMSGPPFRTAHQ-QWHCGFSZSA-N 0 1 314.407 1.331 10 0 DDAEMN Cc1nc2cc(NCc3ccc(S(N)(=O)=O)o3)ccc2[nH]1 ZINC000088539172 185255446 /nfs/dbraw/zinc/25/54/46/185255446.db2.gz MSAZLHIIHLRYGQ-UHFFFAOYSA-N 0 1 306.347 1.724 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000088543044 185256552 /nfs/dbraw/zinc/25/65/52/185256552.db2.gz VNWLONUGSKFODZ-ZIAGYGMSSA-N 0 1 306.387 1.833 10 0 DDAEMN CC[C@@H]1CN(c2ncnc3onc(C)c32)CC[N@H+]1CCOC ZINC000193394337 539261256 /nfs/dbraw/zinc/26/12/56/539261256.db2.gz LJGVZFCWFVEMLC-GFCCVEGCSA-N 0 1 305.382 1.473 10 0 DDAEMN CC[C@@H]1CN(c2ncnc3onc(C)c32)CCN1CCOC ZINC000193394337 539261257 /nfs/dbraw/zinc/26/12/57/539261257.db2.gz LJGVZFCWFVEMLC-GFCCVEGCSA-N 0 1 305.382 1.473 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1ncnc2sc(C)cc21 ZINC000088673162 185262004 /nfs/dbraw/zinc/26/20/04/185262004.db2.gz GIFSOJZEYHRQIE-LLVKDONJSA-N 0 1 306.391 1.341 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000088759581 185264548 /nfs/dbraw/zinc/26/45/48/185264548.db2.gz RDGPVSMDXGYYHI-UHFFFAOYSA-N 0 1 305.281 1.907 10 0 DDAEMN O=S1(=O)C=C[C@H](N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000088855064 185267266 /nfs/dbraw/zinc/26/72/66/185267266.db2.gz PREUIEVIDAXZOL-HOTGVXAUSA-N 0 1 306.431 1.551 10 0 DDAEMN COCCCS(=O)(=O)[C@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000081985890 192349688 /nfs/dbraw/zinc/34/96/88/192349688.db2.gz HBCDPQAVZVLMAW-RISCZKNCSA-N 0 1 301.408 1.535 10 0 DDAEMN CN[C@@H](C[S@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998727 192353564 /nfs/dbraw/zinc/35/35/64/192353564.db2.gz JRXBTYGVEGOTPC-QKKBWIMNSA-N 0 1 315.435 1.750 10 0 DDAEMN CNCc1cn(Cc2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000090295900 185289778 /nfs/dbraw/zinc/28/97/78/185289778.db2.gz YNKFLXRJTWPQKJ-UHFFFAOYSA-N 0 1 304.741 1.749 10 0 DDAEMN C[C@H](C[NH3+])CSCC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000090350755 185292033 /nfs/dbraw/zinc/29/20/33/185292033.db2.gz OJLXIGHEXKOEOM-SECBINFHSA-N 0 1 300.811 1.924 10 0 DDAEMN COCCNCC(=O)Nc1ccc(Br)c(C)n1 ZINC000092510736 185323214 /nfs/dbraw/zinc/32/32/14/185323214.db2.gz YIOZEKPTEFZOHR-UHFFFAOYSA-N 0 1 302.172 1.327 10 0 DDAEMN C[N@H+]1CC[C@@H](Cn2c(SCC(=O)[O-])nc3cccnc32)C1 ZINC000092532025 185324632 /nfs/dbraw/zinc/32/46/32/185324632.db2.gz HXNOLEUBXBTWJP-SNVBAGLBSA-N 0 1 306.391 1.560 10 0 DDAEMN O=C(NCCSc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780690 185340577 /nfs/dbraw/zinc/34/05/77/185340577.db2.gz VXPIUPFJIWMPLM-ZDUSSCGKSA-N 0 1 302.403 1.333 10 0 DDAEMN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000328641818 529814805 /nfs/dbraw/zinc/81/48/05/529814805.db2.gz YAMSPGJUCWYZSK-CYBMUJFWSA-N 0 1 315.377 1.093 10 0 DDAEMN O=C(c1c[nH]nc1[C@@H]1CCCCN1)N1CCOCC(F)(F)C1 ZINC000685942888 539566892 /nfs/dbraw/zinc/56/68/92/539566892.db2.gz SNGWCWPCOKBVGS-NSHDSACASA-N 0 1 314.336 1.332 10 0 DDAEMN Cn1cnc(N)c1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000070085537 190856673 /nfs/dbraw/zinc/85/66/73/190856673.db2.gz YIKKHVSAAYHYBN-UHFFFAOYSA-N 0 1 302.359 1.956 10 0 DDAEMN CC(=O)NCC[NH2+][C@H](CC(=O)[O-])C(=O)c1ccc(C(C)C)cc1 ZINC000071660954 191000096 /nfs/dbraw/zinc/00/00/96/191000096.db2.gz SDCNWVNHYRSFEL-OAHLLOKOSA-N 0 1 320.389 1.562 10 0 DDAEMN O=C([O-])C1CC[NH+](Cc2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000071665630 191002107 /nfs/dbraw/zinc/00/21/07/191002107.db2.gz HREFNLYKYAUNOM-UHFFFAOYSA-N 0 1 317.345 1.631 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262909662 186323593 /nfs/dbraw/zinc/32/35/93/186323593.db2.gz JIPKZGDVJQRGSX-OAHLLOKOSA-N 0 1 320.389 1.106 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C ZINC000174295747 198316427 /nfs/dbraw/zinc/31/64/27/198316427.db2.gz CVMUZLMMXCCUFS-CHWSQXEVSA-N 0 1 310.825 1.796 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(Cl)nc2)CCN1C[C@@H](C)O ZINC000174639762 198363615 /nfs/dbraw/zinc/36/36/15/198363615.db2.gz LUKRGBSJDPIPFN-DGCLKSJQSA-N 0 1 311.813 1.652 10 0 DDAEMN O=C(CC1CCCCC1)Nc1cnc(-n2cccn2)[nH]c1=O ZINC000199819492 354305935 /nfs/dbraw/zinc/30/59/35/354305935.db2.gz CHAUKWZWUBNSPL-UHFFFAOYSA-N 0 1 301.350 1.865 10 0 DDAEMN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)NC1CCOCC1 ZINC000249532856 354377026 /nfs/dbraw/zinc/37/70/26/354377026.db2.gz BLSDEAUROSAEAY-ZFWWWQNUSA-N 0 1 324.446 1.051 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC(C(=O)[O-])C1 ZINC000393786380 354647570 /nfs/dbraw/zinc/64/75/70/354647570.db2.gz YCBDSRJJVZQPAU-LBPRGKRZSA-N 0 1 305.378 1.233 10 0 DDAEMN COc1c(C)cc(Cl)cc1S(=O)(=O)NCCN(C)C ZINC000074935716 191391571 /nfs/dbraw/zinc/39/15/71/191391571.db2.gz HIKDRWOWUPTIBB-UHFFFAOYSA-N 0 1 306.815 1.497 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)NC1 ZINC000080105976 192002273 /nfs/dbraw/zinc/00/22/73/192002273.db2.gz QQUJPBOMLGBRDY-MNOVXSKESA-N 0 1 308.325 1.787 10 0 DDAEMN CNC(=O)c1ccc(CN[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086670798 192587536 /nfs/dbraw/zinc/58/75/36/192587536.db2.gz DGQRVRCLHVVUCV-KBPBESRZSA-N 0 1 310.419 1.102 10 0 DDAEMN CCNCc1c(C)oc(C)c1S(=O)(=O)N(C)[C@@H](C)COC ZINC000088996992 192689646 /nfs/dbraw/zinc/68/96/46/192689646.db2.gz LMFKTMRQYVFBTK-JTQLQIEISA-N 0 1 318.439 1.661 10 0 DDAEMN COC(=O)C1CCC(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000179919495 199094151 /nfs/dbraw/zinc/09/41/51/199094151.db2.gz JHKSFVRRGGWWHS-UHFFFAOYSA-N 0 1 307.394 1.746 10 0 DDAEMN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123404 199120263 /nfs/dbraw/zinc/12/02/63/199120263.db2.gz FHTQXOFUEPDQGI-OAHLLOKOSA-N 0 1 315.421 1.886 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(c2cc(OC)ccn2)CC1 ZINC000193378032 201041691 /nfs/dbraw/zinc/04/16/91/201041691.db2.gz CFBYVLOJFZQCAT-OAHLLOKOSA-N 0 1 323.437 1.390 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(Cc2cccnc2)CC1 ZINC000195202967 201357921 /nfs/dbraw/zinc/35/79/21/201357921.db2.gz CPVCWRJYOXOWTD-QGZVFWFLSA-N 0 1 307.438 1.377 10 0 DDAEMN C[C@@H](NC(=O)[C@](C)(N)c1ccccc1)C(=O)N1CCCCC1 ZINC000195524314 201398644 /nfs/dbraw/zinc/39/86/44/201398644.db2.gz LOBGGQJTPLBBGC-CXAGYDPISA-N 0 1 303.406 1.378 10 0 DDAEMN Cc1nc(NC(=O)[C@@]2(N)CCOC2)ccc1Br ZINC000091507134 193067016 /nfs/dbraw/zinc/06/70/16/193067016.db2.gz SELCQGYAXGKCKN-LLVKDONJSA-N 0 1 300.156 1.209 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091488572 193062803 /nfs/dbraw/zinc/06/28/03/193062803.db2.gz MLZZKYPBAANQJW-LLVKDONJSA-N 0 1 317.524 1.775 10 0 DDAEMN CCS(=O)(=O)CCCN1CCC(SC)(C(N)=S)CC1 ZINC000091487387 193063250 /nfs/dbraw/zinc/06/32/50/193063250.db2.gz KMJXLISUYARVGG-UHFFFAOYSA-N 0 1 324.537 1.295 10 0 DDAEMN COc1c(CN2CCC(Cn3ccnn3)CC2)c(C)nn1C ZINC000092098544 193157489 /nfs/dbraw/zinc/15/74/89/193157489.db2.gz MQCUTBPSMDOFLP-UHFFFAOYSA-N 0 1 304.398 1.241 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000262245724 203239936 /nfs/dbraw/zinc/23/99/36/203239936.db2.gz SAZSCLFWRMWUMI-SJLPKXTDSA-N 0 1 318.417 1.337 10 0 DDAEMN CC(C)C1CCC(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000175505007 306686534 /nfs/dbraw/zinc/68/65/34/306686534.db2.gz ZPXABZDZQPYCHL-PCKAHOCUSA-N 0 1 321.465 1.482 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262517871 203316355 /nfs/dbraw/zinc/31/63/55/203316355.db2.gz KKQXFMZFGJIZER-MCIONIFRSA-N 0 1 324.446 1.541 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000262557104 203328661 /nfs/dbraw/zinc/32/86/61/203328661.db2.gz PSUBKCRZHWDSQQ-OLZOCXBDSA-N 0 1 316.323 1.655 10 0 DDAEMN CC(C)N1CCC(O)([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094639145 193387767 /nfs/dbraw/zinc/38/77/67/193387767.db2.gz PPOMHQUPDDHNEG-KBPBESRZSA-N 0 1 303.468 1.825 10 0 DDAEMN CC(C)(C)NCc1cn([C@H]2CCC[C@H](S(C)(=O)=O)C2)nn1 ZINC000094645176 193390109 /nfs/dbraw/zinc/39/01/09/193390109.db2.gz WIUIUHPNSZQJCN-STQMWFEESA-N 0 1 314.455 1.695 10 0 DDAEMN Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)sc1/C=C/C(=O)[O-] ZINC000094537741 193378227 /nfs/dbraw/zinc/37/82/27/193378227.db2.gz MEJLPLVSJUKAEG-MVIFTORASA-N 0 1 308.403 1.978 10 0 DDAEMN O=C1C[C@@H]2C[S@](=O)CCN2c2c(cnc3ccccc32)N1 ZINC000097829069 193762347 /nfs/dbraw/zinc/76/23/47/193762347.db2.gz DVKPWDOZTKQXDZ-UZJPJQLHSA-N 0 1 301.371 1.514 10 0 DDAEMN O=S(=O)([N-]CCC[NH2+]C1CC1)c1ccc(F)c(F)c1F ZINC000036267467 248183073 /nfs/dbraw/zinc/18/30/73/248183073.db2.gz GYTYKBXCICRJGR-UHFFFAOYSA-N 0 1 308.325 1.524 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000040503093 183084382 /nfs/dbraw/zinc/08/43/82/183084382.db2.gz OEZDXARCPBQQRZ-VIFPVBQESA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000040503093 183084384 /nfs/dbraw/zinc/08/43/84/183084384.db2.gz OEZDXARCPBQQRZ-VIFPVBQESA-N 0 1 318.420 1.209 10 0 DDAEMN COCCNC(=O)CNCc1ccc(Br)cc1 ZINC000042223997 183243470 /nfs/dbraw/zinc/24/34/70/183243470.db2.gz MTQLIFJPHYOYGX-UHFFFAOYSA-N 0 1 301.184 1.301 10 0 DDAEMN CCO[C@H]1CCCN(S(=O)(=O)c2ccc(CN)s2)C1 ZINC000042425733 183268338 /nfs/dbraw/zinc/26/83/38/183268338.db2.gz SSIREZFOZVYDHM-JTQLQIEISA-N 0 1 304.437 1.396 10 0 DDAEMN CC(C)N(CCO)[C@@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000042479360 183275724 /nfs/dbraw/zinc/27/57/24/183275724.db2.gz VFUCORUCXAJVRQ-NSHDSACASA-N 0 1 309.435 1.351 10 0 DDAEMN COc1cc(CNC(=O)N2CCN3CCCC[C@H]3C2)ccc1O ZINC000105107997 194074407 /nfs/dbraw/zinc/07/44/07/194074407.db2.gz SUMQWNHODVOSMK-AWEZNQCLSA-N 0 1 319.405 1.781 10 0 DDAEMN Cc1ccccc1NC(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105882977 194155669 /nfs/dbraw/zinc/15/56/69/194155669.db2.gz PXAJZASCARWWAZ-HNNXBMFYSA-N 0 1 313.405 1.937 10 0 DDAEMN CC(C)OCCN1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000105894137 194160357 /nfs/dbraw/zinc/16/03/57/194160357.db2.gz XVLTXICUVORQSK-OAHLLOKOSA-N 0 1 302.459 1.205 10 0 DDAEMN CCn1cnnc1C1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000105929448 194172653 /nfs/dbraw/zinc/17/26/53/194172653.db2.gz HKLLXAWOILIYKD-LBPRGKRZSA-N 0 1 307.442 1.781 10 0 DDAEMN C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000111449452 194412131 /nfs/dbraw/zinc/41/21/31/194412131.db2.gz GZFAXINAIKOGON-QJPTWQEYSA-N 0 1 313.423 1.125 10 0 DDAEMN CCOC(=O)[C@@](C)(N)CCCCSc1n[nH]c(=O)n1CC ZINC000061607661 184178121 /nfs/dbraw/zinc/17/81/21/184178121.db2.gz CZGLRMVYDQHWIW-ZDUSSCGKSA-N 0 1 316.427 1.134 10 0 DDAEMN CCCC1(C(=O)[O-])CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000062847328 184256516 /nfs/dbraw/zinc/25/65/16/184256516.db2.gz KRQWHWGXEAAFBK-UHFFFAOYSA-N 0 1 310.316 1.632 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000062878427 184257837 /nfs/dbraw/zinc/25/78/37/184257837.db2.gz SSPNDFCGZFCEPD-LBPRGKRZSA-N 0 1 310.316 1.632 10 0 DDAEMN O=S(=O)(Cc1cccc(Cl)c1)N1CCc2nc[nH]c2C1 ZINC000065164430 184313225 /nfs/dbraw/zinc/31/32/25/184313225.db2.gz NADBPGDXFGODNB-UHFFFAOYSA-N 0 1 311.794 1.951 10 0 DDAEMN O=C(NCC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1 ZINC000247460570 257119375 /nfs/dbraw/zinc/11/93/75/257119375.db2.gz APSBTXNUISJUKV-PMPSAXMXSA-N 0 1 304.390 1.785 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc2c(c1)CCN2C(N)=O)N(C)C ZINC000121546327 195304950 /nfs/dbraw/zinc/30/49/50/195304950.db2.gz HQAFHCAAFQATTH-CQSZACIVSA-N 0 1 304.394 1.797 10 0 DDAEMN Cc1cc(N2CCN(CCc3ccccn3)CC2)n2ncnc2n1 ZINC000029721250 406925793 /nfs/dbraw/zinc/92/57/93/406925793.db2.gz KXEZNOQKMLNFMK-UHFFFAOYSA-N 0 1 323.404 1.192 10 0 DDAEMN CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000046345919 407059617 /nfs/dbraw/zinc/05/96/17/407059617.db2.gz JICRSGFNBAZDTF-CQSZACIVSA-N 0 1 308.422 1.690 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000123275649 407324400 /nfs/dbraw/zinc/32/44/00/407324400.db2.gz OSKFOLFRRVOOOY-KRWDZBQOSA-N 0 1 305.422 1.404 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000123552565 407332354 /nfs/dbraw/zinc/33/23/54/407332354.db2.gz NRSDADLCVSTCIM-HNNXBMFYSA-N 0 1 308.422 1.592 10 0 DDAEMN CCCCNC(=O)CN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105884720 407356490 /nfs/dbraw/zinc/35/64/90/407356490.db2.gz SSUATKKDNZQCHY-OAHLLOKOSA-N 0 1 307.442 1.523 10 0 DDAEMN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCc2[nH]nnc2C1 ZINC000170241110 407440130 /nfs/dbraw/zinc/44/01/30/407440130.db2.gz MBPWQNYZAOPOOD-LLVKDONJSA-N 0 1 309.373 1.750 10 0 DDAEMN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCc2nn[nH]c2C1 ZINC000170241110 407440133 /nfs/dbraw/zinc/44/01/33/407440133.db2.gz MBPWQNYZAOPOOD-LLVKDONJSA-N 0 1 309.373 1.750 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CCC[C@@H](Cn3cncn3)C2)[nH]1 ZINC000128628859 407555238 /nfs/dbraw/zinc/55/52/38/407555238.db2.gz AVFSPBVJGRUEHW-CYBMUJFWSA-N 0 1 316.409 1.220 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000152580819 407657727 /nfs/dbraw/zinc/65/77/27/407657727.db2.gz HHDNMLYZRQXXKP-LBPRGKRZSA-N 0 1 302.382 1.910 10 0 DDAEMN O=S(=O)(CCCN1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000171638658 407731157 /nfs/dbraw/zinc/73/11/57/407731157.db2.gz ULEMBDRSSLAXSX-OAHLLOKOSA-N 0 1 308.447 1.630 10 0 DDAEMN OC[C@H]1C[C@H](O)CN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000179184449 407746643 /nfs/dbraw/zinc/74/66/43/407746643.db2.gz VCZMQJXYHHNOIL-OLZOCXBDSA-N 0 1 308.765 1.923 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000262242578 407772984 /nfs/dbraw/zinc/77/29/84/407772984.db2.gz HVYLVPYYGQHUTO-HNNXBMFYSA-N 0 1 301.346 1.573 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000262287249 407784566 /nfs/dbraw/zinc/78/45/66/407784566.db2.gz MMTTUNGEAYDFGA-HNNXBMFYSA-N 0 1 322.405 1.713 10 0 DDAEMN CN(C)C[C@@H]1CN(C(=O)CCC(=O)c2cccs2)CCO1 ZINC000116788411 407777828 /nfs/dbraw/zinc/77/78/28/407777828.db2.gz XSBXKKQKFIYNAL-GFCCVEGCSA-N 0 1 310.419 1.500 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1Sc1nccn1C ZINC000262302846 407789751 /nfs/dbraw/zinc/78/97/51/407789751.db2.gz AZUYRGOEXVMSMY-SNVBAGLBSA-N 0 1 306.391 1.484 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262308821 407793429 /nfs/dbraw/zinc/79/34/29/407793429.db2.gz OUHPXIZGSCHBPJ-JYJNAYRXSA-N 0 1 306.406 1.553 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCOC(C)C)C[C@@H]1CC ZINC000186859235 407787290 /nfs/dbraw/zinc/78/72/90/407787290.db2.gz PPDLZRDUWIFNLB-HNNXBMFYSA-N 0 1 315.458 1.554 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C ZINC000262341646 407806645 /nfs/dbraw/zinc/80/66/45/407806645.db2.gz FPRHJACRQIBVKJ-NSHDSACASA-N 0 1 310.350 1.173 10 0 DDAEMN COC[C@H](N)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000262364019 407810915 /nfs/dbraw/zinc/81/09/15/407810915.db2.gz VWSSRJAIAWAYCK-DOMZBBRYSA-N 0 1 309.385 1.005 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000262365468 407811304 /nfs/dbraw/zinc/81/13/04/407811304.db2.gz VZTDARGYFJWTOP-LLVKDONJSA-N 0 1 304.394 1.783 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000262389790 407823506 /nfs/dbraw/zinc/82/35/06/407823506.db2.gz YRODDMSEMJADOU-GFCCVEGCSA-N 0 1 300.761 1.601 10 0 DDAEMN CC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1CCOC ZINC000117474076 407838181 /nfs/dbraw/zinc/83/81/81/407838181.db2.gz OEMXKMCPWVCPHC-HNNXBMFYSA-N 0 1 309.454 1.927 10 0 DDAEMN CCN(CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)C1CC1 ZINC000153628468 407864331 /nfs/dbraw/zinc/86/43/31/407864331.db2.gz YZDXCMFVRGGRTK-LBPRGKRZSA-N 0 1 305.426 1.317 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)CCN1C[C@@H](C)O ZINC000133895472 407874649 /nfs/dbraw/zinc/87/46/49/407874649.db2.gz BMOUQSYZUKMZLQ-KGLIPLIRSA-N 0 1 320.437 1.065 10 0 DDAEMN CCO[C@@H]1C[C@H](NCc2cc(C(N)=O)co2)C12CCOCC2 ZINC000187711622 407879443 /nfs/dbraw/zinc/87/94/43/407879443.db2.gz LORFQPXORRQZEP-UONOGXRCSA-N 0 1 308.378 1.442 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173579974 407887208 /nfs/dbraw/zinc/88/72/08/407887208.db2.gz MPCWPOZPBQVKTK-ZDUSSCGKSA-N 0 1 318.352 1.649 10 0 DDAEMN CCCCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262902658 407965801 /nfs/dbraw/zinc/96/58/01/407965801.db2.gz IITOOHMPKCYOEP-KBPBESRZSA-N 0 1 314.426 1.589 10 0 DDAEMN C[N@@H+](CC(=O)[O-])C1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000262909710 407965861 /nfs/dbraw/zinc/96/58/61/407965861.db2.gz JJSZXJMSIBVIFX-UHFFFAOYSA-N 0 1 323.368 1.245 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cccc(C(=O)OC)c2)CC1 ZINC000174077943 407914966 /nfs/dbraw/zinc/91/49/66/407914966.db2.gz VRXNDSYSWNGCAD-MRXNPFEDSA-N 0 1 306.406 1.362 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174768710 407988770 /nfs/dbraw/zinc/98/87/70/407988770.db2.gz ADBMPJMLTZIBPQ-CQSZACIVSA-N 0 1 314.389 1.707 10 0 DDAEMN COCC[C@](C)(O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000174916979 408007178 /nfs/dbraw/zinc/00/71/78/408007178.db2.gz SNUDVRADILQUPV-WBVHZDCISA-N 0 1 308.422 1.063 10 0 DDAEMN CN(C)c1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000181931522 408053012 /nfs/dbraw/zinc/05/30/12/408053012.db2.gz FSMYVFXRVYPONQ-ZDUSSCGKSA-N 0 1 303.410 1.850 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000119397716 408060286 /nfs/dbraw/zinc/06/02/86/408060286.db2.gz JSPMNXITAPHUGL-OIISXLGYSA-N 0 1 307.482 1.955 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NC3CCCCCC3)CCO2)n[nH]1 ZINC000175292387 408097790 /nfs/dbraw/zinc/09/77/90/408097790.db2.gz IKKJHGMGHARPFN-ZDUSSCGKSA-N 0 1 307.398 1.919 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000263520743 408162284 /nfs/dbraw/zinc/16/22/84/408162284.db2.gz QUAHVFRCEAHHLA-CDVVCGDMSA-N 0 1 304.390 1.417 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccncc3C)CCO2)n[nH]1 ZINC000121226184 408167167 /nfs/dbraw/zinc/16/71/67/408167167.db2.gz YRHWVEZJTJGMDO-LBPRGKRZSA-N 0 1 302.338 1.422 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000139554084 408174012 /nfs/dbraw/zinc/17/40/12/408174012.db2.gz SEQZIDYSUDYICQ-CZUORRHYSA-N 0 1 306.410 1.671 10 0 DDAEMN CC(=O)[C@@H](C)CCCCC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000155620111 408191054 /nfs/dbraw/zinc/19/10/54/408191054.db2.gz DLUWBYAKAPSZGT-SMDDNHRTSA-N 0 1 322.409 1.799 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCN1CCOC ZINC000246458423 408264016 /nfs/dbraw/zinc/26/40/16/408264016.db2.gz PEJQRMZKAIWYSP-ZIAGYGMSSA-N 0 1 315.483 1.634 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c(F)cc1F ZINC000175794156 408208983 /nfs/dbraw/zinc/20/89/83/408208983.db2.gz SKMUFFTXCCHGCJ-JTQLQIEISA-N 0 1 304.362 1.598 10 0 DDAEMN CNC(=O)CN1CCC(CN(C)c2ccnc(C3CC3)n2)CC1 ZINC000150933672 408228417 /nfs/dbraw/zinc/22/84/17/408228417.db2.gz OAQUSEYWFQXMSR-UHFFFAOYSA-N 0 1 317.437 1.248 10 0 DDAEMN C[C@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246359019 408231142 /nfs/dbraw/zinc/23/11/42/408231142.db2.gz GORSGCIKCRMCLP-INMHGKMJSA-N 0 1 323.481 1.476 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(F)cc2F)CCN1C[C@H](C)O ZINC000246704477 408320022 /nfs/dbraw/zinc/32/00/22/408320022.db2.gz CJBDIJFRIFFBRM-WCQYABFASA-N 0 1 312.360 1.882 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(=O)OC)c2cccnc2)CCN1C[C@@H](C)O ZINC000246524119 408280394 /nfs/dbraw/zinc/28/03/94/408280394.db2.gz VEMTZKBSEWYESA-FVQBIDKESA-N 0 1 321.421 1.073 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(=O)OC)c2ccccc2)CCN1CCOC ZINC000246650290 408310223 /nfs/dbraw/zinc/31/02/23/408310223.db2.gz FTGSCBMSBGHRDL-IAGOWNOFSA-N 0 1 320.433 1.943 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2F)CCN1C[C@H](C)O ZINC000246802002 408342651 /nfs/dbraw/zinc/34/26/51/408342651.db2.gz KDEQFNRNTNTNPL-ZFWWWQNUSA-N 0 1 308.397 1.672 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000139554358 162132256 /nfs/dbraw/zinc/13/22/56/162132256.db2.gz SEQZIDYSUDYICQ-XJKSGUPXSA-N 0 1 306.410 1.671 10 0 DDAEMN C[C@H](N[C@@H](C)c1cccs1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000172603437 162286368 /nfs/dbraw/zinc/28/63/68/162286368.db2.gz HSMYZCRRQWJNEB-GARJFASQSA-N 0 1 316.448 1.091 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n[nH]1 ZINC000173517770 162345374 /nfs/dbraw/zinc/34/53/74/162345374.db2.gz HOJQYVAZKTWOSZ-AWEZNQCLSA-N 0 1 316.361 1.482 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CCO2)n[nH]1 ZINC000173537124 162347436 /nfs/dbraw/zinc/34/74/36/162347436.db2.gz QQCHQRQVSWRTAI-AWEZNQCLSA-N 0 1 312.373 1.745 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc4ncccc43)CCO2)n[nH]1 ZINC000173602815 162351642 /nfs/dbraw/zinc/35/16/42/162351642.db2.gz UKEIBASSPAWZPL-OAHLLOKOSA-N 0 1 323.356 1.875 10 0 DDAEMN COC(=O)c1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173662801 162356492 /nfs/dbraw/zinc/35/64/92/162356492.db2.gz BBMCDKQVLRRHAS-CQSZACIVSA-N 0 1 316.361 1.473 10 0 DDAEMN Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000173733438 162360563 /nfs/dbraw/zinc/36/05/63/162360563.db2.gz MKPFLGMLBIROBP-ZDUSSCGKSA-N 0 1 322.390 1.184 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)COc2ccccc2)C[C@H]1C ZINC000247083808 408403378 /nfs/dbraw/zinc/40/33/78/408403378.db2.gz HDVOKDGAASWCMS-IAGOWNOFSA-N 0 1 322.449 1.469 10 0 DDAEMN O=C(CN1CC[C@@H](CNc2ccccn2)C1)NC[C@H]1CCCO1 ZINC000247374784 408460264 /nfs/dbraw/zinc/46/02/64/408460264.db2.gz ODBIGLJCOKEDEJ-LSDHHAIUSA-N 0 1 318.421 1.111 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2F)CCN1C[C@H](C)O ZINC000247697168 408503924 /nfs/dbraw/zinc/50/39/24/408503924.db2.gz WXVDCDOKGFSJGT-ZFWWWQNUSA-N 0 1 323.412 1.812 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccc(O)cc2)CCN1C[C@@H](C)O ZINC000183961993 408517610 /nfs/dbraw/zinc/51/76/10/408517610.db2.gz ZUCDWJOVFBQJRB-ZBFHGGJFSA-N 0 1 320.433 1.628 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000183688909 408468477 /nfs/dbraw/zinc/46/84/77/408468477.db2.gz BSGRBMPVBRZJBF-UHFFFAOYSA-N 0 1 313.405 1.897 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)Nc1ccc(Cl)cn1 ZINC000248343494 408550752 /nfs/dbraw/zinc/55/07/52/408550752.db2.gz KJRZYVDEHZYVBF-ZDUSSCGKSA-N 0 1 308.813 1.844 10 0 DDAEMN CC(C)CN(C(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1)C1CC1 ZINC000177234529 408559708 /nfs/dbraw/zinc/55/97/08/408559708.db2.gz OXYKZDHPUZFNIG-RDJZCZTQSA-N 0 1 323.481 1.286 10 0 DDAEMN C[C@@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177260119 408565422 /nfs/dbraw/zinc/56/54/22/408565422.db2.gz GORSGCIKCRMCLP-VYDXJSESSA-N 0 1 323.481 1.476 10 0 DDAEMN Cc1ccc(C(=O)CCN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000248539501 408585265 /nfs/dbraw/zinc/58/52/65/408585265.db2.gz AUDYHIDBVYNRBW-JKSUJKDBSA-N 0 1 304.434 1.955 10 0 DDAEMN CC(C)[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)N1CCCC1=O ZINC000250289039 408777662 /nfs/dbraw/zinc/77/76/62/408777662.db2.gz OKQGBNZRIJJOBH-HOCLYGCPSA-N 0 1 307.438 1.330 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000262305774 163802415 /nfs/dbraw/zinc/80/24/15/163802415.db2.gz OKEWWTHDLOXCMA-AWEZNQCLSA-N 0 1 305.378 1.225 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)CCN1C[C@@H](C)O ZINC000174602401 287121754 /nfs/dbraw/zinc/12/17/54/287121754.db2.gz AVIDJGOLVBINFR-LVQRLBQTSA-N 0 1 321.396 1.538 10 0 DDAEMN C[C@@](O)(CNC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000367393363 418595012 /nfs/dbraw/zinc/59/50/12/418595012.db2.gz BEMIESPNQAQJNX-BDJLRTHQSA-N 0 1 306.410 1.357 10 0 DDAEMN C[C@@](O)(CNC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000367393363 418595016 /nfs/dbraw/zinc/59/50/16/418595016.db2.gz BEMIESPNQAQJNX-BDJLRTHQSA-N 0 1 306.410 1.357 10 0 DDAEMN Cn1[n-]nnc1=N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390888946 418756871 /nfs/dbraw/zinc/75/68/71/418756871.db2.gz NDDHUCDAZDSHDA-AWEZNQCLSA-N 0 1 300.410 1.345 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)cc2)CCN1CCOC ZINC000492591522 420599653 /nfs/dbraw/zinc/59/96/53/420599653.db2.gz MTJBDSUTWPEJOF-CXOKCQFOSA-N 0 1 318.417 1.975 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCO[C@@H](c2cnc[nH]2)C1 ZINC000616598838 422514221 /nfs/dbraw/zinc/51/42/21/422514221.db2.gz SRLXUQPPCYGIAV-CQSZACIVSA-N 0 1 307.375 1.562 10 0 DDAEMN Cc1noc(CN2CCCC[C@H](NCc3ccco3)C2=O)n1 ZINC000643736573 423302906 /nfs/dbraw/zinc/30/29/06/423302906.db2.gz HMNQMJDKFXSMDR-ZDUSSCGKSA-N 0 1 304.350 1.642 10 0 DDAEMN CN1C[C@@H](C[NH2+]Cc2cccc([O-])c2Br)CC1=O ZINC000657696953 424477854 /nfs/dbraw/zinc/47/78/54/424477854.db2.gz OMPICBNVBYODFV-SECBINFHSA-N 0 1 313.195 1.723 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)N(C)C1 ZINC000344623174 272072009 /nfs/dbraw/zinc/07/20/09/272072009.db2.gz AYRHBZPOFFHAPT-HOTGVXAUSA-N 0 1 310.438 1.656 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CC(C(=O)[O-])C2)n1 ZINC000263551126 280085874 /nfs/dbraw/zinc/08/58/74/280085874.db2.gz KWEIDXLJTSEJHB-OCCSQVGLSA-N 0 1 320.393 1.613 10 0 DDAEMN C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000263559563 289387625 /nfs/dbraw/zinc/38/76/25/289387625.db2.gz QLRZDECPEIRIMI-CHWSQXEVSA-N 0 1 304.390 1.971 10 0 DDAEMN Cc1nc(CNC2CC(C(N)=O)C2)sc1Br ZINC000719289049 699300246 /nfs/dbraw/zinc/30/02/46/699300246.db2.gz UFOJICOMCOOWDH-UHFFFAOYSA-N 0 1 304.213 1.568 10 0 DDAEMN COc1c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)nn1C ZINC000113343079 696656847 /nfs/dbraw/zinc/65/68/47/696656847.db2.gz KVYFPAJBBOECIW-GFCCVEGCSA-N 0 1 324.425 1.836 10 0 DDAEMN CO[C@@H]1CCC[N@@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000170903051 697351400 /nfs/dbraw/zinc/35/14/00/697351400.db2.gz JNALINQLGNTLBR-GFCCVEGCSA-N 0 1 304.398 1.715 10 0 DDAEMN CO[C@@H]1CCCN(Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000170903051 697351402 /nfs/dbraw/zinc/35/14/02/697351402.db2.gz JNALINQLGNTLBR-GFCCVEGCSA-N 0 1 304.398 1.715 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177169481 697410352 /nfs/dbraw/zinc/41/03/52/697410352.db2.gz LKXSDEYYKGFSQJ-MBNYWOFBSA-N 0 1 311.426 1.499 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)[C@@H]1CCOC1 ZINC000247233485 698364195 /nfs/dbraw/zinc/36/41/95/698364195.db2.gz SJRBYOBASLDIHK-JLIMGVALSA-N 0 1 309.284 1.412 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000261737863 698435456 /nfs/dbraw/zinc/43/54/56/698435456.db2.gz NTDKLFHMMYRMNC-YLQAJVPDSA-N 0 1 315.417 1.705 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2ncc(Cl)cc2F)CCO1 ZINC000262092381 698453961 /nfs/dbraw/zinc/45/39/61/698453961.db2.gz HHGDOQDNQRZYEG-SNVBAGLBSA-N 0 1 317.748 1.096 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000262227714 698460202 /nfs/dbraw/zinc/46/02/02/698460202.db2.gz GLTMLSZWOSDHJR-UWVGGRQHSA-N 0 1 307.177 1.117 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000262567214 698475318 /nfs/dbraw/zinc/47/53/18/698475318.db2.gz RXEGWPTZIZQVQA-OAHLLOKOSA-N 0 1 319.405 1.471 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000263312819 698499513 /nfs/dbraw/zinc/49/95/13/698499513.db2.gz ZBDOTMBDPVBPAR-WXRRBKDZSA-N 0 1 311.426 1.802 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1nccn1C ZINC000702765510 699232455 /nfs/dbraw/zinc/23/24/55/699232455.db2.gz LFMIKKKSGZEZEF-XQQFMLRXSA-N 0 1 324.425 1.299 10 0 DDAEMN O=C(c1cscc1C(F)F)N1CC[C@H]2OCCN[C@H]2C1 ZINC000717224839 699286664 /nfs/dbraw/zinc/28/66/64/699286664.db2.gz PAOGBCNLGHJCLY-WDEREUQCSA-N 0 1 302.346 1.889 10 0 DDAEMN CN1CCCC[C@H]1C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899077861 708976064 /nfs/dbraw/zinc/97/60/64/708976064.db2.gz IWCFDXHNZSMKHW-HIFRSBDPSA-N 0 1 303.410 1.413 10 0 DDAEMN Cc1nccnc1NC[C@H]1C[C@H](c2nc(C(C)C)n[nH]2)C[C@H]1O ZINC000888097731 709212535 /nfs/dbraw/zinc/21/25/35/709212535.db2.gz NGJUYFSXJYELRD-YNEHKIRRSA-N 0 1 316.409 1.993 10 0 DDAEMN Cc1nccnc1NC[C@H]1C[C@H](c2n[nH]c(C(C)C)n2)C[C@H]1O ZINC000888097731 709212538 /nfs/dbraw/zinc/21/25/38/709212538.db2.gz NGJUYFSXJYELRD-YNEHKIRRSA-N 0 1 316.409 1.993 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000900870233 709799696 /nfs/dbraw/zinc/79/96/96/709799696.db2.gz KAVIVSAAXAPDRM-FRFSOERESA-N 0 1 306.406 1.163 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1C(=O)CSc1n[nH]c(=S)s1 ZINC000081826287 192329764 /nfs/dbraw/zinc/32/97/64/192329764.db2.gz IDJGFNSVOSHMBH-RNFRBKRXSA-N 0 1 305.450 1.555 10 0 DDAEMN O=S1(=O)CC[C@H](N[C@H]2CCC[C@H](O)C2)c2cc(F)ccc21 ZINC000037165447 539031546 /nfs/dbraw/zinc/03/15/46/539031546.db2.gz PZFODQOGVDIKOG-OBJOEFQTSA-N 0 1 313.394 1.937 10 0 DDAEMN C[C@@]1(c2ncc(I)c(=O)[nH]2)CCCCO1 ZINC000087761350 185231496 /nfs/dbraw/zinc/23/14/96/185231496.db2.gz ROCPVFMRZMZRJM-JTQLQIEISA-N 0 1 320.130 1.790 10 0 DDAEMN C[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc(CN)o1 ZINC000088543186 185256241 /nfs/dbraw/zinc/25/62/41/185256241.db2.gz AUMWMIGYUJQKNG-SECBINFHSA-N 0 1 300.405 1.709 10 0 DDAEMN CCN[C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCCOC ZINC000081985976 192348707 /nfs/dbraw/zinc/34/87/07/192348707.db2.gz QFGXUHQSKKSMGR-GJZGRUSLSA-N 0 1 313.419 1.550 10 0 DDAEMN CC(C)[N@@H+](C)CCNC(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC000088571291 185258297 /nfs/dbraw/zinc/25/82/97/185258297.db2.gz FQLPYZFJNYYHMD-UHFFFAOYSA-N 0 1 300.305 1.733 10 0 DDAEMN CN1C(=O)C[C@@H](n2c(N)nc3ccc(Br)cc32)C1=O ZINC000088779776 185265525 /nfs/dbraw/zinc/26/55/25/185265525.db2.gz LJEVGOOZTGEKFL-SECBINFHSA-N 0 1 323.150 1.311 10 0 DDAEMN CCN[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081978027 192349397 /nfs/dbraw/zinc/34/93/97/192349397.db2.gz PFNMAQRYAMYXNL-UKRRQHHQSA-N 0 1 311.403 1.240 10 0 DDAEMN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173527 365697635 /nfs/dbraw/zinc/69/76/35/365697635.db2.gz NKZATYMGFNWBCL-BXKDBHETSA-N 0 1 317.349 1.201 10 0 DDAEMN N[C@@H]1c2ccccc2CCC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989956 192351084 /nfs/dbraw/zinc/35/10/84/192351084.db2.gz PILDAWMKPWWPKL-HZPDHXFCSA-N 0 1 309.431 1.985 10 0 DDAEMN C[N@@H+](CCn1c(SCC(=O)[O-])nc2cccnc21)C1CC1 ZINC000092532237 185324577 /nfs/dbraw/zinc/32/45/77/185324577.db2.gz ANIHHJKEGRWWND-UHFFFAOYSA-N 0 1 306.391 1.702 10 0 DDAEMN Cc1oc(C)c(S(=O)(=O)N(C)C[C@@H]2CCCN2C)c1CO ZINC000092678243 185333339 /nfs/dbraw/zinc/33/33/39/185333339.db2.gz UMOUISHRXLDAPV-LBPRGKRZSA-N 0 1 316.423 1.103 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000092622124 185329912 /nfs/dbraw/zinc/32/99/12/185329912.db2.gz TXVLAUGXXSAQQS-SNVBAGLBSA-N 0 1 319.377 1.262 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cnccc1Cl ZINC000092627904 185330481 /nfs/dbraw/zinc/33/04/81/185330481.db2.gz PREWJWQEFUPSEV-NSHDSACASA-N 0 1 317.842 1.840 10 0 DDAEMN CN(Cc1ccc(Cl)s1)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780429 185340045 /nfs/dbraw/zinc/34/00/45/185340045.db2.gz QIDHQZDBXXZQLZ-SNVBAGLBSA-N 0 1 310.810 1.798 10 0 DDAEMN CC(C)[C@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1cccs1 ZINC000092780271 185340048 /nfs/dbraw/zinc/34/00/48/185340048.db2.gz LUPVKAMZYUOXML-FZMZJTMJSA-N 0 1 304.419 1.999 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000092780375 185340088 /nfs/dbraw/zinc/34/00/88/185340088.db2.gz NKDAVGVUSUCMFD-SCZZXKLOSA-N 0 1 302.300 1.225 10 0 DDAEMN CCCCN(CC(F)(F)F)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780518 185340131 /nfs/dbraw/zinc/34/01/31/185340131.db2.gz XKUPQWFRPOFCKN-JTQLQIEISA-N 0 1 304.316 1.615 10 0 DDAEMN Cc1nn(C)c(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1Br ZINC000092924818 185349514 /nfs/dbraw/zinc/34/95/14/185349514.db2.gz MBQZSPFVVOBGMQ-IUCAKERBSA-N 0 1 316.199 1.786 10 0 DDAEMN Cc1nn(C)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1Br ZINC000092924818 185349515 /nfs/dbraw/zinc/34/95/15/185349515.db2.gz MBQZSPFVVOBGMQ-IUCAKERBSA-N 0 1 316.199 1.786 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccncc2)CCN1C[C@@H](C)O ZINC000181525781 199311092 /nfs/dbraw/zinc/31/10/92/199311092.db2.gz QFLFKNYLMFJUEI-HIFRSBDPSA-N 0 1 306.410 1.068 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(CC2CCC(C)(C)CC2)CCO1 ZINC000263525264 282360086 /nfs/dbraw/zinc/36/00/86/282360086.db2.gz SZEIMMZTWDFVTO-OAHLLOKOSA-N 0 1 312.454 1.920 10 0 DDAEMN CCCS(=O)(=O)CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181756293 199347878 /nfs/dbraw/zinc/34/78/78/199347878.db2.gz VJXSVICUNNYVCF-LBPRGKRZSA-N 0 1 313.419 1.933 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cccc4nccn43)CCO2)n[nH]1 ZINC000183415749 199591009 /nfs/dbraw/zinc/59/10/09/199591009.db2.gz SCFLXKOHPUHKCF-ZDUSSCGKSA-N 0 1 312.377 1.588 10 0 DDAEMN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NC(=O)CC1CC1 ZINC000725273011 539570918 /nfs/dbraw/zinc/57/09/18/539570918.db2.gz XDKRMRHNCLIZBR-MFKMUULPSA-N 0 1 308.451 1.852 10 0 DDAEMN O=C1COc2c(NS(=O)(=O)c3ccccc3)cc(F)cc2N1 ZINC000074840109 191370660 /nfs/dbraw/zinc/37/06/60/191370660.db2.gz CXOWVLIBBIEOMB-UHFFFAOYSA-N 0 1 322.317 1.957 10 0 DDAEMN CC[C@@]1(C)CSC(NCc2ccc(S(N)(=O)=O)cc2)=N1 ZINC000080883326 192197833 /nfs/dbraw/zinc/19/78/33/192197833.db2.gz DJKLYIWJSHJWDW-ZDUSSCGKSA-N 0 1 313.448 1.695 10 0 DDAEMN COc1ccc(CN[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1OC ZINC000086671068 192588065 /nfs/dbraw/zinc/58/80/65/192588065.db2.gz JKPDOAGVSSLIFZ-IUODEOHRSA-N 0 1 313.419 1.759 10 0 DDAEMN COc1ccnc(CN2CC[C@@H](c3cnn(C)c3)C2)c1OC ZINC000190572745 200559615 /nfs/dbraw/zinc/55/96/15/200559615.db2.gz WYKVJIFMLDRWBD-GFCCVEGCSA-N 0 1 302.378 1.822 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000195189220 201357026 /nfs/dbraw/zinc/35/70/26/201357026.db2.gz ZUFUWQZKERPERA-GOSISDBHSA-N 0 1 322.449 1.687 10 0 DDAEMN CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776203 193305112 /nfs/dbraw/zinc/30/51/12/193305112.db2.gz WRDLNPGMZBOJTG-YGRLFVJLSA-N 0 1 310.423 1.028 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780205 193307457 /nfs/dbraw/zinc/30/74/57/193307457.db2.gz WGVGTOHPPCUNIY-QPUJVOFHSA-N 0 1 316.452 1.509 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N[C@H](CN(C)C)C(C)C)c1 ZINC000094358547 193364100 /nfs/dbraw/zinc/36/41/00/193364100.db2.gz OGEWYTNMGNAZMM-CQSZACIVSA-N 0 1 313.467 1.750 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(C)cc(N)c2C)C1 ZINC000094358477 193364185 /nfs/dbraw/zinc/36/41/85/193364185.db2.gz NPLQHHVHZCCUGV-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1N ZINC000094457213 193371616 /nfs/dbraw/zinc/37/16/16/193371616.db2.gz IKZJPAVQTKZQET-WDEREUQCSA-N 0 1 313.398 1.265 10 0 DDAEMN CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000636281928 422775651 /nfs/dbraw/zinc/77/56/51/422775651.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 0 1 318.421 1.271 10 0 DDAEMN CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020007936 182176910 /nfs/dbraw/zinc/17/69/10/182176910.db2.gz NQZWNUVQPVNPRV-JTQLQIEISA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020007936 182176913 /nfs/dbraw/zinc/17/69/13/182176913.db2.gz NQZWNUVQPVNPRV-JTQLQIEISA-N 0 1 318.420 1.209 10 0 DDAEMN CCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000020552949 182230841 /nfs/dbraw/zinc/23/08/41/182230841.db2.gz VJGDCONLDNIIGE-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN CN(C)C1(CN(C)c2ccc(S(C)(=O)=O)cc2N)CCC1 ZINC000097926878 193767127 /nfs/dbraw/zinc/76/71/27/193767127.db2.gz YPJKIWGNSIMXMA-UHFFFAOYSA-N 0 1 311.451 1.593 10 0 DDAEMN CCc1nc(CNC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)n[nH]1 ZINC000334092798 249212690 /nfs/dbraw/zinc/21/26/90/249212690.db2.gz OXPVROGALBUAEZ-HIFRSBDPSA-N 0 1 307.398 1.466 10 0 DDAEMN COc1ccc(N)cc1NC(=O)[C@@H](C)Sc1nnc(C)[nH]1 ZINC000041632612 183212496 /nfs/dbraw/zinc/21/24/96/183212496.db2.gz WGLMTAJYYXORGS-SSDOTTSWSA-N 0 1 307.379 1.823 10 0 DDAEMN COc1ccc(N)cc1NC(=O)[C@@H](C)Sc1nc(C)n[nH]1 ZINC000041632612 183212498 /nfs/dbraw/zinc/21/24/98/183212498.db2.gz WGLMTAJYYXORGS-SSDOTTSWSA-N 0 1 307.379 1.823 10 0 DDAEMN CC(C)N(CCO)[C@@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000042479364 183275228 /nfs/dbraw/zinc/27/52/28/183275228.db2.gz KSYILNPUTACRNO-NSHDSACASA-N 0 1 309.435 1.351 10 0 DDAEMN O=C(N[C@@H](c1cccs1)c1ccccc1)[C@H]1CNCCO1 ZINC000043708924 183382573 /nfs/dbraw/zinc/38/25/73/183382573.db2.gz IVUNGSOURMBFJS-UKRRQHHQSA-N 0 1 302.399 1.942 10 0 DDAEMN COC(=O)[C@](C)(N)CCCSc1nnc2n1CCCCC2 ZINC000045582771 183517068 /nfs/dbraw/zinc/51/70/68/183517068.db2.gz BVGJSCXVRLHAIH-CQSZACIVSA-N 0 1 312.439 1.767 10 0 DDAEMN CNC(=O)c1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000104984974 194062416 /nfs/dbraw/zinc/06/24/16/194062416.db2.gz QZBXNPKHJXHGQT-HNNXBMFYSA-N 0 1 316.405 1.748 10 0 DDAEMN NC(=O)c1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000105140208 194077192 /nfs/dbraw/zinc/07/71/92/194077192.db2.gz BTJOYOMMLQCOTJ-OAHLLOKOSA-N 0 1 316.405 1.165 10 0 DDAEMN CN(CC(=O)NC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802657 194131518 /nfs/dbraw/zinc/13/15/18/194131518.db2.gz WUZMLXKQSVEUGS-ZDUSSCGKSA-N 0 1 305.426 1.292 10 0 DDAEMN CCOCCN1CCN(CC(=O)NC(C)(C)CC)C[C@H]1CC ZINC000105837867 194143688 /nfs/dbraw/zinc/14/36/88/194143688.db2.gz DGJSGNLEXFRKER-OAHLLOKOSA-N 0 1 313.486 1.724 10 0 DDAEMN Cc1cccc(C)c1NC(=O)[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000105932616 194173494 /nfs/dbraw/zinc/17/34/94/194173494.db2.gz MJDKMLISTHLNPJ-CABCVRRESA-N 0 1 305.422 1.551 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3)C1 ZINC000110389566 194327445 /nfs/dbraw/zinc/32/74/45/194327445.db2.gz BMKAYZXACMYVCT-CYBMUJFWSA-N 0 1 309.435 1.369 10 0 DDAEMN NC(=O)c1c(Cl)cccc1N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145856 184162874 /nfs/dbraw/zinc/16/28/74/184162874.db2.gz OUMMGGDUUOHWOM-UHFFFAOYSA-N 0 1 311.769 1.036 10 0 DDAEMN CCC[NH2+][C@@H](CCSc1nc(CCC)cc(=O)[n-]1)C(N)=O ZINC000062599167 184245180 /nfs/dbraw/zinc/24/51/80/184245180.db2.gz PSMJVUKOGDBBMJ-NSHDSACASA-N 0 1 312.439 1.058 10 0 DDAEMN Cc1cnc(SCc2nc3c(cnn3C)c(NN)n2)nc1 ZINC000063084370 184269622 /nfs/dbraw/zinc/26/96/22/184269622.db2.gz NWYJCKLLOIXLNI-UHFFFAOYSA-N 0 1 302.367 1.040 10 0 DDAEMN CN(C)C(=O)CN1CC[C@@H](OCC2CC2)[C@H]1Cc1cccnc1 ZINC000247963766 257113485 /nfs/dbraw/zinc/11/34/85/257113485.db2.gz GAHHRIVPNKUDOQ-IAGOWNOFSA-N 0 1 317.433 1.582 10 0 DDAEMN Nc1nc(S(=O)(=O)CCCOc2ccc(Cl)cc2)n[nH]1 ZINC000008015868 406774821 /nfs/dbraw/zinc/77/48/21/406774821.db2.gz YSWUGCONWPORFB-UHFFFAOYSA-N 0 1 316.770 1.283 10 0 DDAEMN O=S(=O)(c1ccc(F)c(F)c1)N1CCN2CCC[C@@H]2C1 ZINC000014223638 406873283 /nfs/dbraw/zinc/87/32/83/406873283.db2.gz BZIXAQANBIESTI-SNVBAGLBSA-N 0 1 302.346 1.434 10 0 DDAEMN O=S(=O)(Nc1ncc(Br)s1)N1CCCC1 ZINC000037437398 406989479 /nfs/dbraw/zinc/98/94/79/406989479.db2.gz UZDIAKZRKZHJTB-UHFFFAOYSA-N 0 1 312.214 1.658 10 0 DDAEMN CCN(CC)C(=O)CN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105884711 407356883 /nfs/dbraw/zinc/35/68/83/407356883.db2.gz ZDABQNDAEIQNCV-OAHLLOKOSA-N 0 1 307.442 1.475 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000123623953 407335142 /nfs/dbraw/zinc/33/51/42/407335142.db2.gz CSAFHBBDVPLHGT-KRWDZBQOSA-N 0 1 314.433 1.965 10 0 DDAEMN COC(=O)CNC(=O)CCN1CCCC[C@@H]1c1nccs1 ZINC000111211417 407400507 /nfs/dbraw/zinc/40/05/07/407400507.db2.gz KBCPFOFTKMRMOU-LLVKDONJSA-N 0 1 311.407 1.349 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112066337 407420993 /nfs/dbraw/zinc/42/09/93/407420993.db2.gz HGIRMQAVCQUGRB-HOTGVXAUSA-N 0 1 320.437 1.293 10 0 DDAEMN CC(C)CCOCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185775087 407500285 /nfs/dbraw/zinc/50/02/85/407500285.db2.gz YLFZVFFHLDEWMS-HUUCEWRRSA-N 0 1 315.458 1.146 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000195252702 407445278 /nfs/dbraw/zinc/44/52/78/407445278.db2.gz JGGDKMJBJKMGIY-UONOGXRCSA-N 0 1 324.446 1.861 10 0 DDAEMN COc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cn1 ZINC000224286238 407575893 /nfs/dbraw/zinc/57/58/93/407575893.db2.gz HPRUKHLIZBINKL-UHFFFAOYSA-N 0 1 323.374 1.911 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccccn3)CCO2)n[nH]1 ZINC000130025007 407646679 /nfs/dbraw/zinc/64/66/79/407646679.db2.gz IRSPYBHGFSUAIX-SNVBAGLBSA-N 0 1 302.338 1.368 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(F)cc3c2OCOC3)C[C@H]1C ZINC000171562934 407704674 /nfs/dbraw/zinc/70/46/74/407704674.db2.gz WDWQNBWROMEFRW-CHWSQXEVSA-N 0 1 324.396 1.579 10 0 DDAEMN CCC[C@H]1C[C@H]1Nc1nc[nH]c(=O)c1I ZINC000233439473 407705461 /nfs/dbraw/zinc/70/54/61/407705461.db2.gz MGZJOIRYRFIABG-NKWVEPMBSA-N 0 1 319.146 1.975 10 0 DDAEMN CSCCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000171634475 407726299 /nfs/dbraw/zinc/72/62/99/407726299.db2.gz KSZKFCFJOPMIDS-OAHLLOKOSA-N 0 1 310.463 1.407 10 0 DDAEMN CC(C)(C)OC[C@@H](O)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171347380 407663400 /nfs/dbraw/zinc/66/34/00/407663400.db2.gz CXUXHVNFYNJLQW-JKSUJKDBSA-N 0 1 320.433 1.726 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000262271322 407782383 /nfs/dbraw/zinc/78/23/83/407782383.db2.gz KKJGEASJXOPUIZ-OLZOCXBDSA-N 0 1 322.796 1.253 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179515122 407800589 /nfs/dbraw/zinc/80/05/89/407800589.db2.gz DQJHOBITDGXDHT-GFCCVEGCSA-N 0 1 316.413 1.629 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179515122 407800597 /nfs/dbraw/zinc/80/05/97/407800597.db2.gz DQJHOBITDGXDHT-GFCCVEGCSA-N 0 1 316.413 1.629 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000262339662 407803093 /nfs/dbraw/zinc/80/30/93/407803093.db2.gz SOVUMQQNXJQZQE-NSHDSACASA-N 0 1 319.174 1.221 10 0 DDAEMN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262452629 407838976 /nfs/dbraw/zinc/83/89/76/407838976.db2.gz GKSJOKCGZDCAFY-OLZOCXBDSA-N 0 1 313.442 1.161 10 0 DDAEMN CCN1CCC[C@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000245402595 407964346 /nfs/dbraw/zinc/96/43/46/407964346.db2.gz IPZKMDHRYYKQIV-UONOGXRCSA-N 0 1 300.468 1.889 10 0 DDAEMN CC[C@H](O)CN1CCN(CCOc2ccccc2OC)CC1 ZINC000174083028 407913964 /nfs/dbraw/zinc/91/39/64/407913964.db2.gz UQIIDYQXBJIRCD-HNNXBMFYSA-N 0 1 308.422 1.463 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(OC)cs2)C1 ZINC000262748825 407915236 /nfs/dbraw/zinc/91/52/36/407915236.db2.gz XUMZFHHBCWEGRA-UHFFFAOYSA-N 0 1 312.391 1.424 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(OC)CCC2)CCN1CCOC ZINC000181808114 408042199 /nfs/dbraw/zinc/04/21/99/408042199.db2.gz QWGSUCUKQUMNKV-AWEZNQCLSA-N 0 1 313.442 1.308 10 0 DDAEMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000262964293 407985220 /nfs/dbraw/zinc/98/52/20/407985220.db2.gz LAJYZMLODOGDAE-AWEZNQCLSA-N 0 1 324.375 1.159 10 0 DDAEMN O=C([O-])[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C(F)(F)F ZINC000262983599 407992722 /nfs/dbraw/zinc/99/27/22/407992722.db2.gz MXTLMSUKEZDTFO-NXEZZACHSA-N 0 1 308.300 1.098 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C(F)(F)F ZINC000262983599 407992725 /nfs/dbraw/zinc/99/27/25/407992725.db2.gz MXTLMSUKEZDTFO-NXEZZACHSA-N 0 1 308.300 1.098 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCSC2)C1 ZINC000263232152 408067245 /nfs/dbraw/zinc/06/72/45/408067245.db2.gz MMYCCOGCTGNNLS-VOMCLLRMSA-N 0 1 315.439 1.119 10 0 DDAEMN Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000136357364 408099079 /nfs/dbraw/zinc/09/90/79/408099079.db2.gz CQGMSSPBAXRSGH-GFCCVEGCSA-N 0 1 300.366 1.249 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccnc(C)c3)CCO2)n[nH]1 ZINC000119587729 408100463 /nfs/dbraw/zinc/10/04/63/408100463.db2.gz NUVUNBIDLIPIRI-GFCCVEGCSA-N 0 1 316.365 1.676 10 0 DDAEMN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263372906 408122965 /nfs/dbraw/zinc/12/29/65/408122965.db2.gz VYEVWDHRKTZTLS-KYFQHEKYSA-N 0 1 310.438 1.968 10 0 DDAEMN CCOCCCCNC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000175416417 408124723 /nfs/dbraw/zinc/12/47/23/408124723.db2.gz JPQIVTHUGIFLDJ-LBPRGKRZSA-N 0 1 311.386 1.013 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(Cc3cncs3)CC2)C1 ZINC000121031516 408148166 /nfs/dbraw/zinc/14/81/66/408148166.db2.gz UVJZLVMMSQMXHJ-OAHLLOKOSA-N 0 1 324.494 1.370 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCSCC2)C1 ZINC000263496131 408156601 /nfs/dbraw/zinc/15/66/01/408156601.db2.gz SWAICVOVGQFEAU-UHFFFAOYSA-N 0 1 315.439 1.072 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC3CCCCC3)CCO2)n[nH]1 ZINC000151105179 408254991 /nfs/dbraw/zinc/25/49/91/408254991.db2.gz KLAXMBMZAULNAU-LBPRGKRZSA-N 0 1 307.398 1.783 10 0 DDAEMN C[C@H]1CN(C(=O)NCCCCN2CCOCC2)CCS1 ZINC000171740513 162239634 /nfs/dbraw/zinc/23/96/34/162239634.db2.gz MIPXSHWNBIHAAY-ZDUSSCGKSA-N 0 1 301.456 1.246 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3csc(C(C)C)n3)CCO2)n[nH]1 ZINC000173534259 162347739 /nfs/dbraw/zinc/34/77/39/162347739.db2.gz DTFGSOXVEURCLO-LLVKDONJSA-N 0 1 321.406 1.907 10 0 DDAEMN Cc1nc([C@@H]2CN(CCOc3ccccc3C)CCO2)n[nH]1 ZINC000173760849 162361929 /nfs/dbraw/zinc/36/19/29/162361929.db2.gz GGVORBJYFHKIFM-HNNXBMFYSA-N 0 1 302.378 1.874 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)[C@H]3CCCO3)CCO2)n[nH]1 ZINC000247325078 408451070 /nfs/dbraw/zinc/45/10/70/408451070.db2.gz WLQGXUYRYLZFHC-UTUOFQBUSA-N 0 1 323.397 1.018 10 0 DDAEMN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177024820 408500119 /nfs/dbraw/zinc/50/01/19/408500119.db2.gz CEEXGEUGROLGCL-GFCCVEGCSA-N 0 1 314.389 1.479 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177024820 408500122 /nfs/dbraw/zinc/50/01/22/408500122.db2.gz CEEXGEUGROLGCL-GFCCVEGCSA-N 0 1 314.389 1.479 10 0 DDAEMN COCCCNC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247707419 408504990 /nfs/dbraw/zinc/50/49/90/408504990.db2.gz ZHGQZLIDIJYRNJ-DLBZAZTESA-N 0 1 320.433 1.727 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000247400450 408464285 /nfs/dbraw/zinc/46/42/85/408464285.db2.gz PIXVFFKASPXCCF-PWSUYJOCSA-N 0 1 316.373 1.822 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ncccc2C)CCN1C[C@H](C)O ZINC000248493274 408576698 /nfs/dbraw/zinc/57/66/98/408576698.db2.gz PBFURMHADYXNRC-LSDHHAIUSA-N 0 1 320.437 1.377 10 0 DDAEMN Cc1ncc(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)s1 ZINC000275536087 408591029 /nfs/dbraw/zinc/59/10/29/408591029.db2.gz MGWUXTCLWFLSLP-GFCCVEGCSA-N 0 1 319.434 1.304 10 0 DDAEMN CCC[C@H](C(=O)Nc1cccc(-n2nnnc2C)c1)N(C)C ZINC000161567758 408614663 /nfs/dbraw/zinc/61/46/63/408614663.db2.gz MYHHFGQAJSDTSO-CQSZACIVSA-N 0 1 302.382 1.640 10 0 DDAEMN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCN2CCCC[C@@H]2C1 ZINC000248834739 408644629 /nfs/dbraw/zinc/64/46/29/408644629.db2.gz MXZGDGSBYSBGOU-BZUAXINKSA-N 0 1 307.438 1.824 10 0 DDAEMN CCCCCS(=O)(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000184597746 408652951 /nfs/dbraw/zinc/65/29/51/408652951.db2.gz LDGQYAWCNCXWGV-NSHDSACASA-N 0 1 302.400 1.006 10 0 DDAEMN Cn1cc([C@@H]2CCCN2C(=O)CCCCc2cn[nH]n2)cn1 ZINC000184750427 408683837 /nfs/dbraw/zinc/68/38/37/408683837.db2.gz CZCQDDQMTXSTLK-AWEZNQCLSA-N 0 1 302.382 1.615 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(SC)CC2)CCN1C[C@@H](C)O ZINC000195156228 408814792 /nfs/dbraw/zinc/81/47/92/408814792.db2.gz GVSAPUJCLRNABH-OLZOCXBDSA-N 0 1 315.483 1.369 10 0 DDAEMN CCOC(=O)c1[n-]nc(Cl)c1I ZINC000299889955 410642162 /nfs/dbraw/zinc/64/21/62/410642162.db2.gz RNHYCPMDNGGIIP-UHFFFAOYSA-N 0 1 300.483 1.844 10 0 DDAEMN CCCN1CCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000049930731 418478299 /nfs/dbraw/zinc/47/82/99/418478299.db2.gz FFDKPOSATXETCD-CQSZACIVSA-N 0 1 318.421 1.751 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)CCO2)n[nH]1 ZINC000367074018 418557291 /nfs/dbraw/zinc/55/72/91/418557291.db2.gz VYVFCYQEWLDXOY-QWRGUYRKSA-N 0 1 314.336 1.839 10 0 DDAEMN Cn1nncc1CN1CCC[C@@H](Nc2ccc(N)nc2)CC1 ZINC000328629006 418607350 /nfs/dbraw/zinc/60/73/50/418607350.db2.gz HTFVXAFPLUUWGC-GFCCVEGCSA-N 0 1 301.398 1.259 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(Cc2nccn2-c2ccccc2)C1 ZINC000583617472 422201789 /nfs/dbraw/zinc/20/17/89/422201789.db2.gz WWJAFMAUCJQBQM-KRWDZBQOSA-N 0 1 324.388 1.474 10 0 DDAEMN CCc1oc(C(=O)N2CCC[C@](O)(c3c[nH]nn3)C2)cc1C ZINC000583617789 422203476 /nfs/dbraw/zinc/20/34/76/422203476.db2.gz SBXIONFNRAHXSP-OAHLLOKOSA-N 0 1 304.350 1.392 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630673844 422259455 /nfs/dbraw/zinc/25/94/55/422259455.db2.gz WUEYGYACCIBEON-NMFUWQPSSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630673844 422259471 /nfs/dbraw/zinc/25/94/71/422259471.db2.gz WUEYGYACCIBEON-NMFUWQPSSA-N 0 1 302.374 1.629 10 0 DDAEMN CCN(CC)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630654830 422243866 /nfs/dbraw/zinc/24/38/66/422243866.db2.gz DOSGSMQXBFWUTC-LSDHHAIUSA-N 0 1 304.390 1.973 10 0 DDAEMN CCN(CC)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630654830 422243871 /nfs/dbraw/zinc/24/38/71/422243871.db2.gz DOSGSMQXBFWUTC-LSDHHAIUSA-N 0 1 304.390 1.973 10 0 DDAEMN COC(=O)N1CCC([C@@H](C)NCc2nnnn2C(C)C)CC1 ZINC000186404838 263398765 /nfs/dbraw/zinc/39/87/65/263398765.db2.gz JDLBRACTJJZXPX-LLVKDONJSA-N 0 1 310.402 1.211 10 0 DDAEMN COC[C@@H]1C[C@H](OC)CN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000344387265 272013473 /nfs/dbraw/zinc/01/34/73/272013473.db2.gz ULYIQJCGQIYQBT-STQMWFEESA-N 0 1 317.389 1.614 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N(C)CCOCc2ccccc2)N(C)C1 ZINC000345733592 272317707 /nfs/dbraw/zinc/31/77/07/272317707.db2.gz JJJAHLPVTNHPSB-HOTGVXAUSA-N 0 1 306.406 1.381 10 0 DDAEMN COCCN1CCN(CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000130196490 281370728 /nfs/dbraw/zinc/37/07/28/281370728.db2.gz YSFSNPXMDYYTCU-ZDUSSCGKSA-N 0 1 301.431 1.164 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCc2ccccc2[C@H]1CO ZINC000376061229 302033585 /nfs/dbraw/zinc/03/35/85/302033585.db2.gz FXVQXOGGGBWXGL-MLGOLLRUSA-N 0 1 312.373 1.028 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCc2ccccc2[C@H]1CO ZINC000376061229 302033587 /nfs/dbraw/zinc/03/35/87/302033587.db2.gz FXVQXOGGGBWXGL-MLGOLLRUSA-N 0 1 312.373 1.028 10 0 DDAEMN C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000309767135 484380076 /nfs/dbraw/zinc/38/00/76/484380076.db2.gz JVCFKZMSQWYSBW-VNQPRFMTSA-N 0 1 307.390 1.749 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCO3)n[nH]1 ZINC000328738546 534555842 /nfs/dbraw/zinc/55/58/42/534555842.db2.gz MEMNOFCIZSDENW-LBPRGKRZSA-N 0 1 316.365 1.460 10 0 DDAEMN Cc1nn(Cc2ccccc2)c(C)c1CC(=O)N1CCNCC1 ZINC000045951832 526293741 /nfs/dbraw/zinc/29/37/41/526293741.db2.gz NXZJAJUIEHGPBZ-UHFFFAOYSA-N 0 1 312.417 1.523 10 0 DDAEMN CCOC[C@@H](O)CN1CCCC[C@@H]1c1ccc(C(=O)NC)n1C ZINC000328628622 528899795 /nfs/dbraw/zinc/89/97/95/528899795.db2.gz HKFNLMRVPAZKHE-DZGCQCFKSA-N 0 1 323.437 1.309 10 0 DDAEMN C[C@@H](NC(=O)CNC(=O)CN)c1c(Cl)ccc(F)c1Cl ZINC000124541764 696743581 /nfs/dbraw/zinc/74/35/81/696743581.db2.gz PARIVACYVCMLCL-ZCFIWIBFSA-N 0 1 322.167 1.385 10 0 DDAEMN C=CCc1cc(CN2CCCNC(=O)[C@H]2C)c(O)c(OC)c1 ZINC000190708723 697594975 /nfs/dbraw/zinc/59/49/75/697594975.db2.gz MEBDDTXPPBVUJH-GFCCVEGCSA-N 0 1 304.390 1.840 10 0 DDAEMN C[C@@H](NCC(=O)N1CCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192482018 697630533 /nfs/dbraw/zinc/63/05/33/697630533.db2.gz PALRXXQFJUIAJC-QWHCGFSZSA-N 0 1 320.389 1.356 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(OC)c2O)C1 ZINC000263399768 698504621 /nfs/dbraw/zinc/50/46/21/698504621.db2.gz GGRGNXKTCUZZCJ-UHFFFAOYSA-N 0 1 322.361 1.068 10 0 DDAEMN O=C(c1nc(Cl)ccc1Cl)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000700309133 699221125 /nfs/dbraw/zinc/22/11/25/699221125.db2.gz XMGRRWHCZPKRTQ-ZJUUUORDSA-N 0 1 316.188 1.591 10 0 DDAEMN Cc1nc(CN[C@@H]2CCC(=O)N[C@@H]2C)sc1Br ZINC000719257215 699299698 /nfs/dbraw/zinc/29/96/98/699299698.db2.gz NHZKELGIMPKAMG-HTRCEHHLSA-N 0 1 318.240 1.971 10 0 DDAEMN O=C(c1ccccc1Br)N1CCC[C@H]1c1nn[nH]n1 ZINC000720636107 699307369 /nfs/dbraw/zinc/30/73/69/699307369.db2.gz ICWHVHUMKTVGAY-JTQLQIEISA-N 0 1 322.166 1.940 10 0 DDAEMN O=C(N[C@H](CO)c1ccc(Cl)cc1)C1CN([C@H]2CCOC2)C1 ZINC000897329595 708293754 /nfs/dbraw/zinc/29/37/54/708293754.db2.gz PLBLDEVQKLTGJQ-LSDHHAIUSA-N 0 1 324.808 1.210 10 0 DDAEMN Cc1noc(C[C@]2(O)CCCN(Cc3cccc(C)n3)C2)n1 ZINC000886091683 708696329 /nfs/dbraw/zinc/69/63/29/708696329.db2.gz IVPAITGAWUOBQA-MRXNPFEDSA-N 0 1 302.378 1.651 10 0 DDAEMN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000895688426 711578413 /nfs/dbraw/zinc/57/84/13/711578413.db2.gz PSLKCOHFOSEZHL-CJNGLKHVSA-N 0 1 313.401 1.558 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCSC)CCN1C[C@H](C)O ZINC000248484728 282087258 /nfs/dbraw/zinc/08/72/58/282087258.db2.gz KGLZRDONUAVDPI-QWHCGFSZSA-N 0 1 303.472 1.226 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCN1C[C@H](C)O ZINC000248484656 282087337 /nfs/dbraw/zinc/08/73/37/282087337.db2.gz KDQFTWKHTRDIBN-LZWOXQAQSA-N 0 1 313.442 1.042 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCC2=CCCC2)CCN1C[C@H](C)O ZINC000248495583 282087582 /nfs/dbraw/zinc/08/75/82/282087582.db2.gz QJNQXYSMLRTLHF-GOEBONIOSA-N 0 1 309.454 1.973 10 0 DDAEMN COCCCN1CC2(CC1=O)CCN(Cc1cncnc1)CC2 ZINC000095508126 185375744 /nfs/dbraw/zinc/37/57/44/185375744.db2.gz CRORAPBFPSAYDW-UHFFFAOYSA-N 0 1 318.421 1.328 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)CCN1C[C@H](C)O ZINC000248842976 282111070 /nfs/dbraw/zinc/11/10/70/282111070.db2.gz RTOYUSFJAQPSGT-QWHCGFSZSA-N 0 1 308.426 1.450 10 0 DDAEMN CC(C)CS(=O)(=O)C[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000081929021 192341221 /nfs/dbraw/zinc/34/12/21/192341221.db2.gz WADMKFGTQIIGDZ-CYBMUJFWSA-N 0 1 313.419 1.919 10 0 DDAEMN CCCS(=O)(=O)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000081939703 192343217 /nfs/dbraw/zinc/34/32/17/192343217.db2.gz LOPCRRAQZXRWDL-GFCCVEGCSA-N 0 1 301.408 1.789 10 0 DDAEMN CCCc1[nH]nc(C(=O)N2CCCC[C@H]2C)c1S(N)(=O)=O ZINC000087891996 185235059 /nfs/dbraw/zinc/23/50/59/185235059.db2.gz HLKOGOHQDQVISJ-SECBINFHSA-N 0 1 314.411 1.024 10 0 DDAEMN N[C@]1(C(=O)Nc2c(F)cc(Br)cc2F)CCOC1 ZINC000088168518 185240967 /nfs/dbraw/zinc/24/09/67/185240967.db2.gz HMTVRZVYAAXEOD-LLVKDONJSA-N 0 1 321.121 1.784 10 0 DDAEMN CCc1ccc([C@H](COC)NC[C@@H](O)CN2CCCC2=O)o1 ZINC000184840948 539245009 /nfs/dbraw/zinc/24/50/09/539245009.db2.gz ZYBOAQQUXRRVNV-OCCSQVGLSA-N 0 1 310.394 1.102 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000081974815 192348487 /nfs/dbraw/zinc/34/84/87/192348487.db2.gz FSTNLMCMLQMKFN-HIFRSBDPSA-N 0 1 311.403 1.369 10 0 DDAEMN Cn1cnc(S(=O)(=O)Nc2ncccc2Br)c1 ZINC000088448377 185251526 /nfs/dbraw/zinc/25/15/26/185251526.db2.gz AGHXOBAWCQMHND-UHFFFAOYSA-N 0 1 317.168 1.378 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)n[nH]1 ZINC000189075726 539253202 /nfs/dbraw/zinc/25/32/02/539253202.db2.gz MXGYUMRWLYBFHY-WCQYABFASA-N 0 1 319.365 1.656 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCCOC)c1cccc(OC)c1 ZINC000081985797 192348889 /nfs/dbraw/zinc/34/88/89/192348889.db2.gz FIDZYVJKOCSCMP-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN COCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092388722 185315378 /nfs/dbraw/zinc/31/53/78/185315378.db2.gz OGODUDMNASTJDS-GJZGRUSLSA-N 0 1 313.419 1.461 10 0 DDAEMN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(CN)s1 ZINC000092339880 185312889 /nfs/dbraw/zinc/31/28/89/185312889.db2.gz YIIUHJHYCUEKSV-QMMMGPOBSA-N 0 1 315.420 1.851 10 0 DDAEMN O=C(Nc1nc2c(s1)CCCC2)[C@H]1Cc2nc[nH]c2CN1 ZINC000092781754 185340098 /nfs/dbraw/zinc/34/00/98/185340098.db2.gz RUAMMNUBQJVDPK-SNVBAGLBSA-N 0 1 303.391 1.398 10 0 DDAEMN CC(C)CN(CC(F)(F)F)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780539 185340307 /nfs/dbraw/zinc/34/03/07/185340307.db2.gz WJUHOVZKEWOJIQ-SNVBAGLBSA-N 0 1 304.316 1.471 10 0 DDAEMN Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2Cc3nc[nH]c3CN2)s1 ZINC000092781188 185340358 /nfs/dbraw/zinc/34/03/58/185340358.db2.gz HANARNZLMHCFKJ-KCJUWKMLSA-N 0 1 305.407 1.375 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000080511637 192163702 /nfs/dbraw/zinc/16/37/02/192163702.db2.gz GPDWNHCKGKDZGQ-UHFFFAOYSA-N 0 1 300.149 1.966 10 0 DDAEMN [O-]c1ccc(C[NH2+]CCCc2nnc[nH]2)cc1Br ZINC000080572060 192168353 /nfs/dbraw/zinc/16/83/53/192168353.db2.gz WKFIRHRCBQYAAS-UHFFFAOYSA-N 0 1 311.183 1.995 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccccc1Br ZINC000149075359 186047311 /nfs/dbraw/zinc/04/73/11/186047311.db2.gz KFVNSZAQUYSMNH-LDYMZIIASA-N 0 1 301.184 1.600 10 0 DDAEMN Cc1sc(=O)n(CCC(=O)N2CCN3CCCC[C@H]3C2)c1C ZINC000172066953 198034034 /nfs/dbraw/zinc/03/40/34/198034034.db2.gz YWHWFZQCUBONEK-AWEZNQCLSA-N 0 1 323.462 1.613 10 0 DDAEMN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000173000794 198175366 /nfs/dbraw/zinc/17/53/66/198175366.db2.gz VYXBTSLHMODUFA-HOCLYGCPSA-N 0 1 320.433 1.863 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccnc3Cl)CCO2)n[nH]1 ZINC000173610967 198232401 /nfs/dbraw/zinc/23/24/01/198232401.db2.gz WDIJLDAEQIQLAR-JTQLQIEISA-N 0 1 321.768 1.629 10 0 DDAEMN CCOc1ccc(OCCN2CCN(C[C@H](O)CC)CC2)cc1 ZINC000174080247 198289161 /nfs/dbraw/zinc/28/91/61/198289161.db2.gz SXMJZBWMSJLUOB-MRXNPFEDSA-N 0 1 322.449 1.853 10 0 DDAEMN Cc1nnc(SCCC(=O)N[C@H]2COc3ccccc32)[nH]1 ZINC000174379040 198327931 /nfs/dbraw/zinc/32/79/31/198327931.db2.gz PFSCIFNUHLQVRO-NSHDSACASA-N 0 1 304.375 1.845 10 0 DDAEMN CCc1ccc([C@@H](C)NCC(=O)NCC(=O)N2CCCC2)cc1 ZINC000126255717 354053128 /nfs/dbraw/zinc/05/31/28/354053128.db2.gz VVGHILIXRCQQTA-CQSZACIVSA-N 0 1 317.433 1.638 10 0 DDAEMN CN1C(=O)CCc2cc(S(=O)(=O)Nc3ccccn3)ccc21 ZINC000074934990 191389073 /nfs/dbraw/zinc/38/90/73/191389073.db2.gz DEWUINACKLSIET-UHFFFAOYSA-N 0 1 317.370 1.791 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)NCCN(C)C)cc1F ZINC000074935444 191389738 /nfs/dbraw/zinc/38/97/38/191389738.db2.gz OPAAZYFCTGWHCX-UHFFFAOYSA-N 0 1 304.387 1.453 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2cccc(F)c2)cc1Cl ZINC000081669807 192308559 /nfs/dbraw/zinc/30/85/59/192308559.db2.gz GIJYCUIBCDBIJC-UHFFFAOYSA-N 0 1 316.745 1.961 10 0 DDAEMN CC[C@H]1CN(S(=O)(=O)Cc2cc(C)on2)[C@@H](CC)CN1 ZINC000086448497 192571513 /nfs/dbraw/zinc/57/15/13/192571513.db2.gz GWRIFUYIYAYEPV-AAEUAGOBSA-N 0 1 301.412 1.275 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000179506387 199047247 /nfs/dbraw/zinc/04/72/47/199047247.db2.gz CSQVJMSQKHSJSN-LSDHHAIUSA-N 0 1 314.433 1.964 10 0 DDAEMN COc1cccc(CN[C@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000237426129 202261911 /nfs/dbraw/zinc/26/19/11/202261911.db2.gz HDZQAFJIVQJDLH-ZDUSSCGKSA-N 0 1 301.394 1.910 10 0 DDAEMN Cc1nn(C)c(CN[C@H]2CCCC[C@H]2O)c1Br ZINC000089232810 192748184 /nfs/dbraw/zinc/74/81/84/192748184.db2.gz XOZOSHMJALANNM-GXSJLCMTSA-N 0 1 302.216 1.884 10 0 DDAEMN CC(C)c1nc(N2CCOCC2)[nH]c(=O)c1Br ZINC000090746786 192928681 /nfs/dbraw/zinc/92/86/81/192928681.db2.gz UVAYJTKBOUVYJP-UHFFFAOYSA-N 0 1 302.172 1.492 10 0 DDAEMN CN(CC(=O)N1CCSc2ccccc21)CC1CC(O)C1 ZINC000091489289 193063206 /nfs/dbraw/zinc/06/32/06/193063206.db2.gz GLBQBEQDGBJRAF-UHFFFAOYSA-N 0 1 306.431 1.828 10 0 DDAEMN CN[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)c1cnn(C)c1 ZINC000262052395 203184062 /nfs/dbraw/zinc/18/40/62/203184062.db2.gz HPIYVVRJXFOZLS-LLVKDONJSA-N 0 1 304.316 1.482 10 0 DDAEMN CCc1csc([C@H]2CCCN(C(=O)C[C@@H]3COCCN3)C2)n1 ZINC000262465001 203301492 /nfs/dbraw/zinc/30/14/92/203301492.db2.gz XSSAWJNRDYVWJI-GXTWGEPZSA-N 0 1 323.462 1.790 10 0 DDAEMN CCC[C@H](C(N)=S)N1CC[NH+](CC(C)(C)C(=O)[O-])CC1 ZINC000093717186 193296209 /nfs/dbraw/zinc/29/62/09/193296209.db2.gz IBBIDKWSYHJFPD-LLVKDONJSA-N 0 1 301.456 1.170 10 0 DDAEMN CCc1nc([C@@H]2CN(C)CCN2C)[nH]c(=O)c1Br ZINC000093893070 193323760 /nfs/dbraw/zinc/32/37/60/193323760.db2.gz LIABJECZZNYNOG-VIFPVBQESA-N 0 1 315.215 1.425 10 0 DDAEMN CC[N@H+]1CCN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C[C@H]1C ZINC000094227023 193351749 /nfs/dbraw/zinc/35/17/49/193351749.db2.gz WCSBSSVZDOBQPP-KCJUWKMLSA-N 0 1 311.304 1.128 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cccnc2C)CC1 ZINC000094646615 193389400 /nfs/dbraw/zinc/38/94/00/193389400.db2.gz WDGYAXQBIWJSOY-ZDUSSCGKSA-N 0 1 306.435 1.213 10 0 DDAEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000175960814 296185112 /nfs/dbraw/zinc/18/51/12/296185112.db2.gz BKZCDCAOLGLSJH-WDEREUQCSA-N 0 1 312.797 1.573 10 0 DDAEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000175960814 296185113 /nfs/dbraw/zinc/18/51/13/296185113.db2.gz BKZCDCAOLGLSJH-WDEREUQCSA-N 0 1 312.797 1.573 10 0 DDAEMN CCOC(=O)[C@H]1CCCN(c2nc3[nH]cnc(=O)c3s2)C1 ZINC000021775272 182288332 /nfs/dbraw/zinc/28/83/32/182288332.db2.gz BPABLPJJZKXAHG-QMMMGPOBSA-N 0 1 308.363 1.159 10 0 DDAEMN C[C@H](CNS(=O)(=O)c1ccccc1Br)N(C)C ZINC000026857478 182455651 /nfs/dbraw/zinc/45/56/51/182455651.db2.gz CTIVDTPLIFMVLG-SECBINFHSA-N 0 1 321.240 1.678 10 0 DDAEMN O=C(c1cc(-c2ccncc2)on1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000333346617 248968506 /nfs/dbraw/zinc/96/85/06/248968506.db2.gz QMQDPACGXQUKHK-LBPRGKRZSA-N 0 1 324.344 1.875 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1 ZINC000041067955 183161863 /nfs/dbraw/zinc/16/18/63/183161863.db2.gz MKSBOCRVVRUXND-UHFFFAOYSA-N 0 1 303.453 1.435 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cs1 ZINC000042162800 183237306 /nfs/dbraw/zinc/23/73/06/183237306.db2.gz MRTLDSPDQPJTSB-LBPRGKRZSA-N 0 1 311.407 1.955 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cs1 ZINC000042162800 183237307 /nfs/dbraw/zinc/23/73/07/183237307.db2.gz MRTLDSPDQPJTSB-LBPRGKRZSA-N 0 1 311.407 1.955 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(c2ccc(Br)cn2)C1 ZINC000284505776 218056034 /nfs/dbraw/zinc/05/60/34/218056034.db2.gz KTYCPEQLWWZJSM-NSHDSACASA-N 0 1 310.155 1.060 10 0 DDAEMN COCCNCC(=O)Nc1ccc(C)cc1Br ZINC000105674805 194118871 /nfs/dbraw/zinc/11/88/71/194118871.db2.gz HZYOXVCBTLUZMJ-UHFFFAOYSA-N 0 1 301.184 1.932 10 0 DDAEMN CC[C@@H](C)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105818274 194136182 /nfs/dbraw/zinc/13/61/82/194136182.db2.gz SBNVKXLNKZRPPL-CVEARBPZSA-N 0 1 311.470 1.286 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2cccc(C)c2)CCN1CCOC ZINC000105835989 194142444 /nfs/dbraw/zinc/14/24/44/194142444.db2.gz XQFRJPMPFQTRCA-KRWDZBQOSA-N 0 1 319.449 1.976 10 0 DDAEMN O[C@H](Cc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890013 194158774 /nfs/dbraw/zinc/15/87/74/194158774.db2.gz YMFRODUIIFHVHV-SJORKVTESA-N 0 1 301.390 1.188 10 0 DDAEMN CCOCCN1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@@H]1C ZINC000106112734 194186685 /nfs/dbraw/zinc/18/66/85/194186685.db2.gz JPZNHXPPXKXTCR-ZDUSSCGKSA-N 0 1 324.421 1.917 10 0 DDAEMN CNc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000049560664 183741547 /nfs/dbraw/zinc/74/15/47/183741547.db2.gz ASCRXOONTWLXQU-AWEZNQCLSA-N 0 1 313.467 1.983 10 0 DDAEMN CN[C@@H]1C(=O)Nc2cc(-n3cc(Br)cn3)ccc21 ZINC000109572953 194274767 /nfs/dbraw/zinc/27/47/67/194274767.db2.gz ZJBXEQGRTHYWSV-NSHDSACASA-N 0 1 307.151 1.847 10 0 DDAEMN NC(=S)CCCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000054137271 183926376 /nfs/dbraw/zinc/92/63/76/183926376.db2.gz PGRFPVAKBHDACX-UHFFFAOYSA-N 0 1 312.338 1.449 10 0 DDAEMN CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)C[C@@H](C)C(=O)[O-] ZINC000061218544 184166328 /nfs/dbraw/zinc/16/63/28/184166328.db2.gz FUPNRNKSGOCTBV-SECBINFHSA-N 0 1 309.391 1.607 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000061642567 184180589 /nfs/dbraw/zinc/18/05/89/184180589.db2.gz QEJASWHHALUKGX-CQSZACIVSA-N 0 1 311.451 1.546 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000061653240 184181059 /nfs/dbraw/zinc/18/10/59/184181059.db2.gz JZKYQFUGPBSAGY-CYBMUJFWSA-N 0 1 309.435 1.369 10 0 DDAEMN Cc1ncc(CN2CCC([N@H+]3CCC[C@H]3C(=O)[O-])CC2)s1 ZINC000062337021 184231285 /nfs/dbraw/zinc/23/12/85/184231285.db2.gz NXSUWDBLFUDUAT-AWEZNQCLSA-N 0 1 309.435 1.965 10 0 DDAEMN CCOCCN1CCN(Cc2nc(CC)cc(=O)[nH]2)C[C@H]1C ZINC000120028219 195083044 /nfs/dbraw/zinc/08/30/44/195083044.db2.gz JLNWUIGPVVPKBM-CYBMUJFWSA-N 0 1 308.426 1.287 10 0 DDAEMN C[C@@H](O)C[N@H+]1CCN(CC2=Cc3ccccc3OC2)C[C@@H]1C ZINC000120623667 195203213 /nfs/dbraw/zinc/20/32/13/195203213.db2.gz UVQLXPVGICWSMD-LSDHHAIUSA-N 0 1 302.418 1.849 10 0 DDAEMN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3ccoc3)CCO[C@H]2C1 ZINC000247940429 257114632 /nfs/dbraw/zinc/11/46/32/257114632.db2.gz PGKDTJJBWOKPOJ-SJORKVTESA-N 0 1 316.401 1.905 10 0 DDAEMN COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000247879567 257115628 /nfs/dbraw/zinc/11/56/28/257115628.db2.gz PQFPFPNFMXPIBL-KKUMJFAQSA-N 0 1 324.446 1.633 10 0 DDAEMN O=C(C1CCOCC1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000247884008 257115682 /nfs/dbraw/zinc/11/56/82/257115682.db2.gz WIHJFJQZWFQMHH-SJORKVTESA-N 0 1 315.417 1.683 10 0 DDAEMN O=C(NCC1CC1)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccccn2)O1 ZINC000247481641 257119708 /nfs/dbraw/zinc/11/97/08/257119708.db2.gz JEWUJVKXENZWGA-ULQDDVLXSA-N 0 1 315.417 1.730 10 0 DDAEMN Fc1ccc(CN2C[C@H](N3CCOCC3)[C@H]3OCCC[C@@H]32)cc1 ZINC000503716868 257210112 /nfs/dbraw/zinc/21/01/12/257210112.db2.gz JATZKSZCKPKRBF-BZSNNMDCSA-N 0 1 320.408 1.890 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000120941280 195268678 /nfs/dbraw/zinc/26/86/78/195268678.db2.gz XDVVZIPIWOTZJC-VXGBXAGGSA-N 0 1 305.378 1.223 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000263226482 285386014 /nfs/dbraw/zinc/38/60/14/285386014.db2.gz GOXCMQRXIABAMF-JQWIXIFHSA-N 0 1 312.439 1.287 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000232036075 484171390 /nfs/dbraw/zinc/17/13/90/484171390.db2.gz WSSUMEVRPQYLPB-JTQLQIEISA-N 0 1 301.184 1.978 10 0 DDAEMN CC(C)CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000078682709 407041333 /nfs/dbraw/zinc/04/13/33/407041333.db2.gz WFUDNUZYHIPPJJ-INIZCTEOSA-N 0 1 305.422 1.361 10 0 DDAEMN CCN(Cc1cnn(C)c1)C[C@H](O)COCc1ccccc1 ZINC000084926222 407096408 /nfs/dbraw/zinc/09/64/08/407096408.db2.gz UYFURABITKMJSC-KRWDZBQOSA-N 0 1 303.406 1.820 10 0 DDAEMN CCCC(=O)NC[C@@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000092707798 407191288 /nfs/dbraw/zinc/19/12/88/407191288.db2.gz LEBGOWUSYJPKFX-AWEZNQCLSA-N 0 1 322.453 1.865 10 0 DDAEMN CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000109005690 407393878 /nfs/dbraw/zinc/39/38/78/407393878.db2.gz VENMSXSEFRCJNW-OAHLLOKOSA-N 0 1 313.405 1.550 10 0 DDAEMN Cc1ccc(CCNC(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000111887224 407419525 /nfs/dbraw/zinc/41/95/25/407419525.db2.gz NQTCOFFMAJRGAH-MRXNPFEDSA-N 0 1 302.422 1.812 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1F ZINC000113305564 407494245 /nfs/dbraw/zinc/49/42/45/407494245.db2.gz ATQANGXWUHREGG-STQMWFEESA-N 0 1 312.410 1.991 10 0 DDAEMN Nc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000261672392 407575321 /nfs/dbraw/zinc/57/53/21/407575321.db2.gz KNCXKWLFPDGDEF-UHFFFAOYSA-N 0 1 309.377 1.029 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000262314832 407794854 /nfs/dbraw/zinc/79/48/54/407794854.db2.gz POTIUNADLODRFS-JTQLQIEISA-N 0 1 310.354 1.180 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000262322433 407799683 /nfs/dbraw/zinc/79/96/83/407799683.db2.gz QNPKZZFNEDCRTC-OAHLLOKOSA-N 0 1 316.405 1.967 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1(CO)CCCC1 ZINC000186957426 407804355 /nfs/dbraw/zinc/80/43/55/407804355.db2.gz XOLVQHSKOOLIFC-MRXNPFEDSA-N 0 1 304.434 1.828 10 0 DDAEMN CC1(C)C[C@@H](NC(=O)C[C@H]2COCCN2)c2ccccc2O1 ZINC000262504479 407851908 /nfs/dbraw/zinc/85/19/08/407851908.db2.gz IZBVUALTZYOLDE-GXTWGEPZSA-N 0 1 304.390 1.784 10 0 DDAEMN CCOCCOCc1cccc(NC(=O)[C@H](N)COC)c1C ZINC000262551199 407862132 /nfs/dbraw/zinc/86/21/32/407862132.db2.gz OTGKQIQTHCNMKY-CQSZACIVSA-N 0 1 310.394 1.460 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000262593370 407876998 /nfs/dbraw/zinc/87/69/98/407876998.db2.gz WQGVQNMWEORZFU-CYBMUJFWSA-N 0 1 307.394 1.293 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cn(C)nc3C(C)(C)C)CCO2)n[nH]1 ZINC000180612915 407903972 /nfs/dbraw/zinc/90/39/72/407903972.db2.gz YAXOVQNCRYMYGL-CYBMUJFWSA-N 0 1 318.425 1.718 10 0 DDAEMN O=C(Nc1cnn(CC2CC2)c1)N1CCN2CCCC[C@H]2C1 ZINC000174450161 407947986 /nfs/dbraw/zinc/94/79/86/407947986.db2.gz SCLORZCNYKNJEZ-HNNXBMFYSA-N 0 1 303.410 1.995 10 0 DDAEMN COc1ccc(C)cc1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262866894 407958953 /nfs/dbraw/zinc/95/89/53/407958953.db2.gz LXIHRKLFAXKALB-HNNXBMFYSA-N 0 1 322.405 1.221 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000174089650 407914998 /nfs/dbraw/zinc/91/49/98/407914998.db2.gz FLCDFPGQOXLUCG-BBRMVZONSA-N 0 1 314.376 1.387 10 0 DDAEMN Cc1ccc(N2CC[C@@H](NC[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000119321585 408038571 /nfs/dbraw/zinc/03/85/71/408038571.db2.gz VRYLLVUWJCLVPZ-JKSUJKDBSA-N 0 1 303.406 1.021 10 0 DDAEMN COCCN1CCN(Cc2cnc3nc(C)cc(C)n23)C[C@@H]1C ZINC000245704741 408050598 /nfs/dbraw/zinc/05/05/98/408050598.db2.gz DTWHMBPEVAAPIK-HNNXBMFYSA-N 0 1 317.437 1.499 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@H](C)CCCOC)CCN1CCOC ZINC000245550086 408012893 /nfs/dbraw/zinc/01/28/93/408012893.db2.gz OMZGADVKMPJZOQ-CABCVRRESA-N 0 1 300.443 1.618 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)CCCOC)CCN1C[C@H](C)O ZINC000245561653 408017375 /nfs/dbraw/zinc/01/73/75/408017375.db2.gz XLSYBCQUJDJOEB-SOUVJXGZSA-N 0 1 300.443 1.353 10 0 DDAEMN COC(=O)c1ccccc1OCCN1CCC[C@H](NC(C)=O)C1 ZINC000182067751 408071473 /nfs/dbraw/zinc/07/14/73/408071473.db2.gz WCPNEOPSLYJSSG-AWEZNQCLSA-N 0 1 320.389 1.453 10 0 DDAEMN CCN(C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)[C@@H](C)C(C)C ZINC000263376445 408122279 /nfs/dbraw/zinc/12/22/79/408122279.db2.gz BYHWWFDAZCXMFQ-HSBZDZAISA-N 0 1 313.442 2.000 10 0 DDAEMN CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N[C@H](C)C(=O)[O-])n1 ZINC000263403721 408130174 /nfs/dbraw/zinc/13/01/74/408130174.db2.gz JYYDJJMESPLMDI-NQBHXWOUSA-N 0 1 308.382 1.977 10 0 DDAEMN Cc1nc([C@H]2CN(CCC(=O)c3ccccc3)CCO2)n[nH]1 ZINC000182363192 408135688 /nfs/dbraw/zinc/13/56/88/408135688.db2.gz BIPQBHRFZIMJFT-OAHLLOKOSA-N 0 1 300.362 1.759 10 0 DDAEMN CC(=O)c1cccc(NC(=O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000246119615 408147655 /nfs/dbraw/zinc/14/76/55/408147655.db2.gz AOLDNZSHUYPVCM-KRWDZBQOSA-N 0 1 315.417 1.998 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000246163011 408159472 /nfs/dbraw/zinc/15/94/72/408159472.db2.gz LZSHVQCFAQBNBP-ZWNOBZJWSA-N 0 1 318.389 1.972 10 0 DDAEMN O=C(c1ccccc1-n1ccnn1)N1CCN2CCCC[C@H]2C1 ZINC000182444989 408162883 /nfs/dbraw/zinc/16/28/83/408162883.db2.gz NUJLREDOVNRICX-AWEZNQCLSA-N 0 1 311.389 1.578 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000121308919 408179904 /nfs/dbraw/zinc/17/99/04/408179904.db2.gz GOLKXVKYOZDCPA-ZDUSSCGKSA-N 0 1 322.315 1.534 10 0 DDAEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000175960795 408250008 /nfs/dbraw/zinc/25/00/08/408250008.db2.gz BKZCDCAOLGLSJH-GHMZBOCLSA-N 0 1 312.797 1.573 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C)nc1 ZINC000190340790 408222563 /nfs/dbraw/zinc/22/25/63/408222563.db2.gz XHDRVHNGQXLBHG-HUUCEWRRSA-N 0 1 316.405 1.414 10 0 DDAEMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCN2CCCC[C@H]2C1 ZINC000246350214 408226021 /nfs/dbraw/zinc/22/60/21/408226021.db2.gz IZBFIGSHYQYCHI-JJXSEGSLSA-N 0 1 307.438 1.824 10 0 DDAEMN C[C@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246358989 408230789 /nfs/dbraw/zinc/23/07/89/408230789.db2.gz GORSGCIKCRMCLP-BFYDXBDKSA-N 0 1 323.481 1.476 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000246373593 408233583 /nfs/dbraw/zinc/23/35/83/408233583.db2.gz HOBBDJWKCVMDGE-WCXIOVBPSA-N 0 1 323.481 1.428 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000246616714 408304995 /nfs/dbraw/zinc/30/49/95/408304995.db2.gz YOGZWBNQOUCNDV-GXTWGEPZSA-N 0 1 308.378 1.219 10 0 DDAEMN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176206733 408309795 /nfs/dbraw/zinc/30/97/95/408309795.db2.gz YHVGLAZCICBHPU-VHSXEESVSA-N 0 1 311.386 1.675 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCC3(C4CC4)CCC3)CCO2)n[nH]1 ZINC000133267856 162054647 /nfs/dbraw/zinc/05/46/47/162054647.db2.gz SIOUFQYLWSGJQN-ZDUSSCGKSA-N 0 1 319.409 1.776 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cnn(CC(C)C)c3)CCO2)n[nH]1 ZINC000183207829 408352671 /nfs/dbraw/zinc/35/26/71/408352671.db2.gz ILVWZLJBPYAFCF-CYBMUJFWSA-N 0 1 318.381 1.179 10 0 DDAEMN COC(=O)C1CCN(C(=O)[C@H](C)N2CCS[C@@H](C)C2)CC1 ZINC000171692763 162236144 /nfs/dbraw/zinc/23/61/44/162236144.db2.gz LNLUGXXMFISAFW-RYUDHWBXSA-N 0 1 314.451 1.224 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000246931437 408370492 /nfs/dbraw/zinc/37/04/92/408370492.db2.gz IYXFDUKGMOXQPW-BRWVUGGUSA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccccc3Cl)CCO2)n[nH]1 ZINC000173548906 162347345 /nfs/dbraw/zinc/34/73/45/162347345.db2.gz QSCZRNQVLCUGNF-GFCCVEGCSA-N 0 1 306.753 1.980 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)n[nH]1 ZINC000173538256 162347589 /nfs/dbraw/zinc/34/75/89/162347589.db2.gz DFEUTZWIWMKUBD-CYBMUJFWSA-N 0 1 301.350 1.339 10 0 DDAEMN CCCCc1noc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000173655784 162352971 /nfs/dbraw/zinc/35/29/71/162352971.db2.gz CSKMBLQPOSCLLR-LLVKDONJSA-N 0 1 306.370 1.412 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000173755594 162362314 /nfs/dbraw/zinc/36/23/14/162362314.db2.gz HPTWIBRFADKXHC-CQSZACIVSA-N 0 1 315.377 1.393 10 0 DDAEMN Cc1nc(CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C)no1 ZINC000183354791 408388923 /nfs/dbraw/zinc/38/89/23/408388923.db2.gz TZDAARWIPFRZFJ-CQSZACIVSA-N 0 1 302.378 1.509 10 0 DDAEMN Cc1ccc([C@H](CNC(=O)CN(C)C)N2CCOCC2)s1 ZINC000176555720 408393664 /nfs/dbraw/zinc/39/36/64/408393664.db2.gz FXGZRAZQIQDSEF-ZDUSSCGKSA-N 0 1 311.451 1.108 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000247148749 408417900 /nfs/dbraw/zinc/41/79/00/408417900.db2.gz LMSOTTNLIWNUII-CVEARBPZSA-N 0 1 319.449 1.032 10 0 DDAEMN CCCCc1noc([C@H](C)N2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000247203574 408426179 /nfs/dbraw/zinc/42/61/79/408426179.db2.gz PDTRDJNEFLFPCT-MJBXVCDLSA-N 0 1 310.442 1.860 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000247520634 408487448 /nfs/dbraw/zinc/48/74/48/408487448.db2.gz NJTUCOIRZXTZMZ-ZIAGYGMSSA-N 0 1 322.796 1.873 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccc(O)cc2)CCN1C[C@@H](C)O ZINC000183961974 408516717 /nfs/dbraw/zinc/51/67/17/408516717.db2.gz ZUCDWJOVFBQJRB-GDBMZVCRSA-N 0 1 320.433 1.628 10 0 DDAEMN CCC[C@H](C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)N(C)C ZINC000162121697 408672433 /nfs/dbraw/zinc/67/24/33/408672433.db2.gz WYIWOLTULMHNKR-UKRRQHHQSA-N 0 1 321.396 1.778 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000177912088 408736222 /nfs/dbraw/zinc/73/62/22/408736222.db2.gz HDTLUBFWGFIGEI-GFCCVEGCSA-N 0 1 319.409 1.639 10 0 DDAEMN CCOCCN1CCN(Cc2nc(N(C)C)no2)C[C@@H]1CC ZINC000185258745 408788771 /nfs/dbraw/zinc/78/87/71/408788771.db2.gz CGZWBUIKNHTOEG-ZDUSSCGKSA-N 0 1 311.430 1.068 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1 ZINC000194150652 408769536 /nfs/dbraw/zinc/76/95/36/408769536.db2.gz HSYAYKGNBFIZIE-AWEZNQCLSA-N 0 1 303.406 1.842 10 0 DDAEMN CCCCOC[C@H](O)CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000195189625 408815468 /nfs/dbraw/zinc/81/54/68/408815468.db2.gz UTYARXYJXDRKSB-KFWWJZLASA-N 0 1 321.483 1.452 10 0 DDAEMN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000188796022 163069579 /nfs/dbraw/zinc/06/95/79/163069579.db2.gz ZOZOQKASNCKAKI-HOCLYGCPSA-N 0 1 310.438 1.372 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000262203448 163784445 /nfs/dbraw/zinc/78/44/45/163784445.db2.gz NHTDHNOMROIAMF-CHWSQXEVSA-N 0 1 308.378 1.547 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000263302931 163947433 /nfs/dbraw/zinc/94/74/33/163947433.db2.gz XECHKHUSLYOYHG-HXZBBRIXSA-N 0 1 311.426 1.802 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000263520744 163979267 /nfs/dbraw/zinc/97/92/67/163979267.db2.gz QUAHVFRCEAHHLA-WHWKNOJMSA-N 0 1 304.390 1.417 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000194648677 418546678 /nfs/dbraw/zinc/54/66/78/418546678.db2.gz SUGAHPWPFWPHJX-HNNXBMFYSA-N 0 1 313.405 1.541 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193071516 222142380 /nfs/dbraw/zinc/14/23/80/222142380.db2.gz WOFKFKURJMKBHD-ZDUSSCGKSA-N 0 1 304.394 1.237 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N[C@@H](C)C(=O)[O-])n1 ZINC000263403718 277843164 /nfs/dbraw/zinc/84/31/64/277843164.db2.gz JYYDJJMESPLMDI-LOWVWBTDSA-N 0 1 308.382 1.977 10 0 DDAEMN C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173928251 279220787 /nfs/dbraw/zinc/22/07/87/279220787.db2.gz XOXUQWWIXXIEBZ-MYBQVCMBSA-N 0 1 323.481 1.476 10 0 DDAEMN CC(C)[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)N1CCN(C)CC1 ZINC000191677524 280251880 /nfs/dbraw/zinc/25/18/80/280251880.db2.gz JFQPAUBZFBXRSJ-JYJNAYRXSA-N 0 1 311.470 1.190 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)OCCC(C)C)CCN1C[C@@H](C)O ZINC000246676484 282006159 /nfs/dbraw/zinc/00/61/59/282006159.db2.gz APMPQAIUQAKNPL-OWCLPIDISA-N 0 1 314.470 1.741 10 0 DDAEMN CC(C)n1nnnc1CSc1nc(-c2cccnc2)n[nH]1 ZINC000171290777 298230985 /nfs/dbraw/zinc/23/09/85/298230985.db2.gz QCYSASPYJVWUDU-UHFFFAOYSA-N 0 1 302.367 1.726 10 0 DDAEMN O=C(c1ccc(Br)o1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404241765 307297974 /nfs/dbraw/zinc/29/79/74/307297974.db2.gz XPMJPRLFEVCHIG-RKDXNWHRSA-N 0 1 315.167 1.245 10 0 DDAEMN NC(=S)N[C@@H]1NC(=S)Oc2ccc(Br)cc21 ZINC000584609492 337372079 /nfs/dbraw/zinc/37/20/79/337372079.db2.gz YTGPFYCXGLUMIU-SSDOTTSWSA-N 0 1 318.221 1.548 10 0 DDAEMN CC(C)[C@H]1CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000079341198 483976530 /nfs/dbraw/zinc/97/65/30/483976530.db2.gz LXKFLHTXNGXPDR-QWHCGFSZSA-N 0 1 304.456 1.033 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C[C@H]3CCCOC3)CCO2)n[nH]1 ZINC000193383578 697663760 /nfs/dbraw/zinc/66/37/60/697663760.db2.gz QXZJNHFSSNDEAC-NEPJUHHUSA-N 0 1 308.382 1.084 10 0 DDAEMN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000253542809 698406776 /nfs/dbraw/zinc/40/67/76/698406776.db2.gz RIXKSAUGFUBCTJ-RYUDHWBXSA-N 0 1 312.373 1.644 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000253542809 698406778 /nfs/dbraw/zinc/40/67/78/698406778.db2.gz RIXKSAUGFUBCTJ-RYUDHWBXSA-N 0 1 312.373 1.644 10 0 DDAEMN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000262020670 698451089 /nfs/dbraw/zinc/45/10/89/698451089.db2.gz NCSHYUCZNGSBPO-LDYMZIIASA-N 0 1 306.790 1.885 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000262899220 698483834 /nfs/dbraw/zinc/48/38/34/698483834.db2.gz PIQKODFUNQPPGA-HNNXBMFYSA-N 0 1 318.373 1.650 10 0 DDAEMN CC[C@@H](CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263499926 698510396 /nfs/dbraw/zinc/51/03/96/698510396.db2.gz KNZPDXBYEITXDR-RDJZCZTQSA-N 0 1 320.433 1.897 10 0 DDAEMN O=C([O-])[C@@H]1[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CC[C@@H]21 ZINC000721194890 699310952 /nfs/dbraw/zinc/31/09/52/699310952.db2.gz SDZLBGQEJUIILH-QXSJWSMHSA-N 0 1 305.374 1.217 10 0 DDAEMN CCn1cc([C@H]2OCC[C@@H]2CNCc2nn(CC)nc2C)cn1 ZINC000886091349 708696415 /nfs/dbraw/zinc/69/64/15/708696415.db2.gz KTEIOKBGXTWNKF-CJNGLKHVSA-N 0 1 318.425 1.690 10 0 DDAEMN CCc1noc(COC2CN([C@H]3CCOC4(CCC4)C3)C2)n1 ZINC000886097263 708697407 /nfs/dbraw/zinc/69/74/07/708697407.db2.gz XSSMYNZDTDWAMP-LBPRGKRZSA-N 0 1 307.394 1.935 10 0 DDAEMN COc1ncc([C@H](C)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1Cl ZINC000886097359 708697663 /nfs/dbraw/zinc/69/76/63/708697663.db2.gz WGDKSLLXZMEKSN-OLRMPSLUSA-N 0 1 322.796 1.965 10 0 DDAEMN COCCOc1ccccc1CN[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888076171 709209410 /nfs/dbraw/zinc/20/94/10/709209410.db2.gz DEFOIIGNWJDPBD-ZMSDIMECSA-N 0 1 317.389 1.372 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC/C=C/c2ccccc2)[N@@H+]1C1CC1 ZINC000888101901 709214189 /nfs/dbraw/zinc/21/41/89/709214189.db2.gz RAKUNJZPQIJLJJ-YFWHOBGESA-N 0 1 314.385 1.896 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC/C=C/c2ccccc2)[N@H+]1C1CC1 ZINC000888101901 709214192 /nfs/dbraw/zinc/21/41/92/709214192.db2.gz RAKUNJZPQIJLJJ-YFWHOBGESA-N 0 1 314.385 1.896 10 0 DDAEMN O=C(CCC[C@H](O)c1ccccc1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900392448 709571819 /nfs/dbraw/zinc/57/18/19/709571819.db2.gz ZBLGKOLXBQEAND-KGLIPLIRSA-N 0 1 315.377 1.767 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CC=CCC2)CCN1C[C@@H](C)O ZINC000248465793 282086230 /nfs/dbraw/zinc/08/62/30/282086230.db2.gz ZYJSEOBKPGNGJL-BZUAXINKSA-N 0 1 309.454 1.829 10 0 DDAEMN O=C([O-])[C@H]1Cc2nc[nH]c2C[N@H+]1CCCOc1ccccc1 ZINC000095499777 185374733 /nfs/dbraw/zinc/37/47/33/185374733.db2.gz XWLVUQIUDZFQIC-OAHLLOKOSA-N 0 1 301.346 1.690 10 0 DDAEMN O=C([O-])[C@H]1Cc2[nH]cnc2C[N@@H+]1CCCOc1ccccc1 ZINC000095499777 185374736 /nfs/dbraw/zinc/37/47/36/185374736.db2.gz XWLVUQIUDZFQIC-OAHLLOKOSA-N 0 1 301.346 1.690 10 0 DDAEMN O=C([O-])[C@H]1Cc2[nH]cnc2C[N@H+]1CCCOc1ccccc1 ZINC000095499777 185374737 /nfs/dbraw/zinc/37/47/37/185374737.db2.gz XWLVUQIUDZFQIC-OAHLLOKOSA-N 0 1 301.346 1.690 10 0 DDAEMN Cc1cnc(CNC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)s1 ZINC000248645488 282095707 /nfs/dbraw/zinc/09/57/07/282095707.db2.gz SIKODDZMLBKKJM-MNOVXSKESA-N 0 1 312.439 1.048 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076962737 185061471 /nfs/dbraw/zinc/06/14/71/185061471.db2.gz FBAQQDHNYXDRQZ-NSHDSACASA-N 0 1 308.382 1.591 10 0 DDAEMN O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@H](CN2CCOCC2)C1 ZINC000328686430 231307354 /nfs/dbraw/zinc/30/73/54/231307354.db2.gz YFKCRWXZYBPYIQ-HUUCEWRRSA-N 0 1 323.437 1.456 10 0 DDAEMN CCc1nc(C2(C)CC2)[nH]c(=O)c1I ZINC000087548789 185228039 /nfs/dbraw/zinc/22/80/39/185228039.db2.gz XCHHZDWMTUVKTR-UHFFFAOYSA-N 0 1 304.131 1.988 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc2c(c1)NCCC2 ZINC000087545797 185228183 /nfs/dbraw/zinc/22/81/83/185228183.db2.gz VCLXMUNLKGBVNV-UHFFFAOYSA-N 0 1 306.391 1.289 10 0 DDAEMN COC[C@H](C)NC(=O)C[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087572250 185228425 /nfs/dbraw/zinc/22/84/25/185228425.db2.gz IDRQMFYGJVHPTJ-LBPRGKRZSA-N 0 1 300.399 1.247 10 0 DDAEMN OCC(CO)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000087749453 185231588 /nfs/dbraw/zinc/23/15/88/185231588.db2.gz MFOZCXVOYKTMAH-LLVKDONJSA-N 0 1 302.168 1.216 10 0 DDAEMN CCCNCc1nnnn1-c1c2nsnc2ccc1Cl ZINC000088127768 185240231 /nfs/dbraw/zinc/24/02/31/185240231.db2.gz YWOGZSDJNJCACI-UHFFFAOYSA-N 0 1 309.786 1.820 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000183667873 539243036 /nfs/dbraw/zinc/24/30/36/539243036.db2.gz YROGCHFHYKQKQS-CYBMUJFWSA-N 0 1 311.813 1.947 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C1CC1)C1CCC(C)CC1)C(C)C ZINC000183635422 539242641 /nfs/dbraw/zinc/24/26/41/539242641.db2.gz OCCWKVXAFRFLRQ-MQBCKMQZSA-N 0 1 323.481 1.916 10 0 DDAEMN Cn1cc(S(=O)(=O)Nc2ncccc2Br)cn1 ZINC000088448327 185251457 /nfs/dbraw/zinc/25/14/57/185251457.db2.gz DVSZPSUPGHNEKO-UHFFFAOYSA-N 0 1 317.168 1.378 10 0 DDAEMN COCCCS(=O)(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000081985044 192348837 /nfs/dbraw/zinc/34/88/37/192348837.db2.gz VBXJLQIHFQYKSR-OAHLLOKOSA-N 0 1 315.435 1.925 10 0 DDAEMN O=S(=O)(c1ccc(CO)o1)N1CC[C@@H](N2CCCCC2)C1 ZINC000088552238 185257547 /nfs/dbraw/zinc/25/75/47/185257547.db2.gz VTCNWFSLTPGGLE-GFCCVEGCSA-N 0 1 314.407 1.021 10 0 DDAEMN CN[C@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000081980110 192350029 /nfs/dbraw/zinc/35/00/29/192350029.db2.gz KBYVANHCHZIFQE-CYBMUJFWSA-N 0 1 313.419 1.932 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000082004637 192353527 /nfs/dbraw/zinc/35/35/27/192353527.db2.gz KCDZOYBNPDQEON-ZDUSSCGKSA-N 0 1 315.391 1.061 10 0 DDAEMN CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1cccnc1 ZINC000090700306 185310398 /nfs/dbraw/zinc/31/03/98/185310398.db2.gz ARNYFJUUWNQYQX-GFCCVEGCSA-N 0 1 315.464 1.139 10 0 DDAEMN CCN[C@@](CO[C@@H](C)C(F)(F)F)(C(N)=O)c1ccccc1 ZINC000090674589 185308984 /nfs/dbraw/zinc/30/89/84/185308984.db2.gz JWVCTSXXVYSGSM-GXFFZTMASA-N 0 1 304.312 1.944 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622698 185329976 /nfs/dbraw/zinc/32/99/76/185329976.db2.gz GQMWGMVOGLKSFZ-LBPRGKRZSA-N 0 1 315.414 1.513 10 0 DDAEMN CN(c1cc2c(cc1Cl)[C@H](O)C(=O)N2)[C@@H]1CCCN(C)C1 ZINC000092771452 185339412 /nfs/dbraw/zinc/33/94/12/185339412.db2.gz DZEQLNMNUFVFFL-OTYXRUKQSA-N 0 1 309.797 1.856 10 0 DDAEMN CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780414 185340067 /nfs/dbraw/zinc/34/00/67/185340067.db2.gz OYZDYIOMWGRWPE-ZDUSSCGKSA-N 0 1 304.781 1.736 10 0 DDAEMN O=C(CCN[C@@H]1CCS(=O)(=O)c2ccccc21)NC1CC1 ZINC000092986792 185350897 /nfs/dbraw/zinc/35/08/97/185350897.db2.gz SVBHMXHYDWZQPP-CYBMUJFWSA-N 0 1 308.403 1.163 10 0 DDAEMN CCOCCNC(=O)CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000181742481 199346198 /nfs/dbraw/zinc/34/61/98/199346198.db2.gz MFBRKMYNTIFZPZ-GFCCVEGCSA-N 0 1 308.378 1.261 10 0 DDAEMN Cc1noc([C@@H]2COCCN2C(=O)CN2CCC(C)CC2)n1 ZINC000155379118 282410589 /nfs/dbraw/zinc/41/05/89/282410589.db2.gz IDECNSGHKYTMSX-ZDUSSCGKSA-N 0 1 308.382 1.010 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@H](c2c[nH]nn2)CC1 ZINC000616628753 362762886 /nfs/dbraw/zinc/76/28/86/362762886.db2.gz CWYGIOGPDDKEGQ-LBPRGKRZSA-N 0 1 306.391 1.763 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@H](c2cnn[nH]2)CC1 ZINC000616628753 362762893 /nfs/dbraw/zinc/76/28/93/362762893.db2.gz CWYGIOGPDDKEGQ-LBPRGKRZSA-N 0 1 306.391 1.763 10 0 DDAEMN Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000287016775 219271509 /nfs/dbraw/zinc/27/15/09/219271509.db2.gz UTKPTYIXFVVSKC-JTQLQIEISA-N 0 1 303.815 1.368 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cccc(Cl)c2)n[nH]1 ZINC000080526897 192165005 /nfs/dbraw/zinc/16/50/05/192165005.db2.gz IMLGMKOTCZAHRT-UHFFFAOYSA-N 0 1 300.771 1.587 10 0 DDAEMN O=S(=O)(Nc1ncccc1Br)c1cn[nH]c1 ZINC000083891823 192388831 /nfs/dbraw/zinc/38/88/31/192388831.db2.gz IANMUVPVMXMPSJ-UHFFFAOYSA-N 0 1 303.141 1.368 10 0 DDAEMN COc1ccc(Br)c(CN[C@H]2CCOC[C@H]2O)c1 ZINC000623766282 366046104 /nfs/dbraw/zinc/04/61/04/366046104.db2.gz CXXAMSBXOQSETL-QWHCGFSZSA-N 0 1 316.195 1.697 10 0 DDAEMN O=S(=O)(NCCCc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000080623595 192174651 /nfs/dbraw/zinc/17/46/51/192174651.db2.gz WXIYSMQOEXAJNC-UHFFFAOYSA-N 0 1 300.771 1.369 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CCN1C[C@@H](C)O ZINC000174634842 198363005 /nfs/dbraw/zinc/36/30/05/198363005.db2.gz WWDVJQPIUQTDPP-DGCLKSJQSA-N 0 1 311.813 1.652 10 0 DDAEMN CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](N)CC ZINC000003995903 181060345 /nfs/dbraw/zinc/06/03/45/181060345.db2.gz HAQIRIMIVLFYIX-HIFRSBDPSA-N 0 1 303.406 1.598 10 0 DDAEMN CN1CCN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1c1ncc[nH]1 ZINC000328618900 354547339 /nfs/dbraw/zinc/54/73/39/354547339.db2.gz FDRGQWCHRSGARB-CYBMUJFWSA-N 0 1 310.361 1.415 10 0 DDAEMN CC(=O)c1csc(NS(=O)(=O)N2CCCC[C@H]2C)n1 ZINC000080835632 192194158 /nfs/dbraw/zinc/19/41/58/192194158.db2.gz PKVKXAAFLVMPJY-MRVPVSSYSA-N 0 1 303.409 1.877 10 0 DDAEMN CCNc1ncc(S(=O)(=O)NCCN(C)CC)cc1Cl ZINC000081695047 192313930 /nfs/dbraw/zinc/31/39/30/192313930.db2.gz HGMNBYFKYZHSOY-UHFFFAOYSA-N 0 1 320.846 1.397 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(CC)ccn3)CCO2)n[nH]1 ZINC000180274315 199140923 /nfs/dbraw/zinc/14/09/23/199140923.db2.gz INHFJVVXJGJKQX-CYBMUJFWSA-N 0 1 315.377 1.538 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C(C)(Cl)Cl)CCO2)n[nH]1 ZINC000180483879 199165223 /nfs/dbraw/zinc/16/52/23/199165223.db2.gz QJOCHMJFVVSUFL-ZETCQYMHSA-N 0 1 307.181 1.461 10 0 DDAEMN Cn1cc([C@@H]2CC[N@@H+](CC(=O)[N-]OCc3ccccc3)C2)cn1 ZINC000180498646 199166673 /nfs/dbraw/zinc/16/66/73/199166673.db2.gz BWHPHJVGGRWRLF-OAHLLOKOSA-N 0 1 314.389 1.457 10 0 DDAEMN C[C@@H](NC(=O)c1coc(CN)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000187281376 200088724 /nfs/dbraw/zinc/08/87/24/200088724.db2.gz WWKLBZULMRGBIR-SNVBAGLBSA-N 0 1 322.386 1.633 10 0 DDAEMN C[C@@H](CCC1CCCCC1)NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000237547908 202279832 /nfs/dbraw/zinc/27/98/32/202279832.db2.gz VVJBYAMBHAWHQE-GXTWGEPZSA-N 0 1 318.483 1.614 10 0 DDAEMN Cc1n[nH]c(CNC(C)C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113514 193161589 /nfs/dbraw/zinc/16/15/89/193161589.db2.gz KHIFOYDYTALIKP-GHMZBOCLSA-N 0 1 314.455 1.493 10 0 DDAEMN CCN[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ncccn1 ZINC000093700049 193294254 /nfs/dbraw/zinc/29/42/54/193294254.db2.gz YLJMLQPMYXCATK-OLZOCXBDSA-N 0 1 312.439 1.189 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000093648739 193285309 /nfs/dbraw/zinc/28/53/09/193285309.db2.gz NOCYWLMLRLLXIY-AWEZNQCLSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1nc([C@@H]2CN(C)CCN2C)[nH]c(=O)c1Br ZINC000093893062 193323994 /nfs/dbraw/zinc/32/39/94/193323994.db2.gz OUGRKNDLUSHRMA-QMMMGPOBSA-N 0 1 301.188 1.171 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])cs1 ZINC000094746585 193394579 /nfs/dbraw/zinc/39/45/79/193394579.db2.gz ISRSRJLGIDSVLY-LPEHRKFASA-N 0 1 311.407 1.926 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000094779656 193397397 /nfs/dbraw/zinc/39/73/97/193397397.db2.gz KLOBZTRKZKBUPG-NSHDSACASA-N 0 1 315.414 1.431 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000020302941 182204366 /nfs/dbraw/zinc/20/43/66/182204366.db2.gz UCETVYTTXOVGHA-QMMMGPOBSA-N 0 1 303.284 1.639 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2nnc(C)s2)CCN1C[C@@H](C)O ZINC000173273181 248332678 /nfs/dbraw/zinc/33/26/78/248332678.db2.gz QCDCZWGFTKZNDC-KOLCDFICSA-N 0 1 313.427 1.155 10 0 DDAEMN CC(C)(NCc1cccc(NC(=O)C(F)(F)F)c1)C(N)=O ZINC000040674763 183116236 /nfs/dbraw/zinc/11/62/36/183116236.db2.gz NVASUOYUGHBAEH-UHFFFAOYSA-N 0 1 303.284 1.541 10 0 DDAEMN CN1CCN(C(C)(C)CNC(=O)c2cccnc2Cl)CC1 ZINC000040807306 183136025 /nfs/dbraw/zinc/13/60/25/183136025.db2.gz CYVASNAZGAWXAP-UHFFFAOYSA-N 0 1 310.829 1.491 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cccnc1Cl ZINC000041679114 183216070 /nfs/dbraw/zinc/21/60/70/183216070.db2.gz JLXJZHRGXBBYOB-UHFFFAOYSA-N 0 1 305.831 1.697 10 0 DDAEMN CCN1C(=O)C[C@@H](NCc2cccc(Br)c2)C1=O ZINC000042418889 183267968 /nfs/dbraw/zinc/26/79/68/183267968.db2.gz CXQFYBJPHRTAJQ-LLVKDONJSA-N 0 1 311.179 1.686 10 0 DDAEMN O=S(=O)([N-]CC1CC[NH2+]CC1)c1ccc(F)c(F)c1F ZINC000044503919 183416112 /nfs/dbraw/zinc/41/61/12/183416112.db2.gz KPTSUEINJBCWJZ-UHFFFAOYSA-N 0 1 308.325 1.382 10 0 DDAEMN COc1cc2c(cc1F)nccc2N1C[C@H](OC)C[C@H]1CO ZINC000284618183 218102329 /nfs/dbraw/zinc/10/23/29/218102329.db2.gz SQCTVUYWBWDQEW-WDEREUQCSA-N 0 1 306.337 1.969 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000105818187 194136326 /nfs/dbraw/zinc/13/63/26/194136326.db2.gz OKODQORGSNEDLG-OAHLLOKOSA-N 0 1 311.470 1.286 10 0 DDAEMN CCOCCN1CCN(CCn2c(C)csc2=O)C[C@@H]1C ZINC000105834882 194143134 /nfs/dbraw/zinc/14/31/34/194143134.db2.gz UADGIXGCARJGQV-ZDUSSCGKSA-N 0 1 313.467 1.261 10 0 DDAEMN CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(O)c(N)c1 ZINC000049554495 183741408 /nfs/dbraw/zinc/74/14/08/183741408.db2.gz CFNPFWMZXADKAF-NSHDSACASA-N 0 1 315.439 1.229 10 0 DDAEMN O=C([C@H]1NCCc2ccccc21)N(CCO)CC(F)(F)F ZINC000049843608 183760863 /nfs/dbraw/zinc/76/08/63/183760863.db2.gz CIBNDEVFKQXVAX-LBPRGKRZSA-N 0 1 302.296 1.257 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000109466610 194267099 /nfs/dbraw/zinc/26/70/99/194267099.db2.gz FYAXIMSITZZVRL-NSHDSACASA-N 0 1 300.472 1.567 10 0 DDAEMN NCc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000111095866 194391141 /nfs/dbraw/zinc/39/11/41/194391141.db2.gz KTDZHAGTRSQKJQ-AXFHLTTASA-N 0 1 300.449 1.921 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000061125929 184162738 /nfs/dbraw/zinc/16/27/38/184162738.db2.gz WLFLIXXYCOPNNE-UHFFFAOYSA-N 0 1 314.744 1.712 10 0 DDAEMN CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)C(C)(C)C(=O)[O-] ZINC000061177434 184164743 /nfs/dbraw/zinc/16/47/43/184164743.db2.gz INWMGAXDABQPGC-UHFFFAOYSA-N 0 1 310.379 1.145 10 0 DDAEMN CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@H](C)C(=O)[O-] ZINC000061221348 184166270 /nfs/dbraw/zinc/16/62/70/184166270.db2.gz CJDZKPWVXYKYOT-VIFPVBQESA-N 0 1 300.305 1.946 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(N)c(F)cc1F ZINC000061642494 184180506 /nfs/dbraw/zinc/18/05/06/184180506.db2.gz LLRWAGBMQGIHNZ-SECBINFHSA-N 0 1 319.377 1.262 10 0 DDAEMN CNCc1nc(CN2CCN(CC(F)(F)F)CC2)cs1 ZINC000061948451 184198076 /nfs/dbraw/zinc/19/80/76/184198076.db2.gz WHKRUQGEYBZGHK-UHFFFAOYSA-N 0 1 308.373 1.542 10 0 DDAEMN CCCNS(=O)(=O)NC[C@H](c1ccc(OC)cc1)N(C)C ZINC000062352652 184231516 /nfs/dbraw/zinc/23/15/16/184231516.db2.gz KJUPYYRCQVXXLA-CQSZACIVSA-N 0 1 315.439 1.132 10 0 DDAEMN CC(C)CN1CCO[C@@H](CSc2nnc(N)n2C(C)C)C1 ZINC000062801234 184253811 /nfs/dbraw/zinc/25/38/11/184253811.db2.gz AQGFKTZFXOHVJW-GFCCVEGCSA-N 0 1 313.471 1.890 10 0 DDAEMN COc1ccc(S(=O)(=O)NOCCN2CCCC2)cc1 ZINC000062578377 184244223 /nfs/dbraw/zinc/24/42/23/184244223.db2.gz TYCJTAFISGEKOR-UHFFFAOYSA-N 0 1 300.380 1.001 10 0 DDAEMN Cc1nn(C)cc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157691733 197208129 /nfs/dbraw/zinc/20/81/29/197208129.db2.gz IQPFTINKXIPUQL-LLVKDONJSA-N 0 1 307.419 1.983 10 0 DDAEMN Cc1nnc(SCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000120577328 195193899 /nfs/dbraw/zinc/19/38/99/195193899.db2.gz YMYZVNMGHQCAOS-FZMZJTMJSA-N 0 1 310.423 1.359 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000120577328 195193901 /nfs/dbraw/zinc/19/39/01/195193901.db2.gz YMYZVNMGHQCAOS-FZMZJTMJSA-N 0 1 310.423 1.359 10 0 DDAEMN CCOCCN1CC[C@@H]2C[C@H](C(=O)N3CCCCO3)O[C@H]2C1 ZINC000248288223 257106961 /nfs/dbraw/zinc/10/69/61/257106961.db2.gz HLZSFSOWBKMQKI-KFWWJZLASA-N 0 1 312.410 1.056 10 0 DDAEMN CC[N@H+]1C[C@H]2CN(Cc3nccs3)CCC[C@@]2(C(=O)[O-])C1 ZINC000249694887 257107210 /nfs/dbraw/zinc/10/72/10/257107210.db2.gz PTKNHFYXXPPUNT-SWLSCSKDSA-N 0 1 309.435 1.762 10 0 DDAEMN Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3N(Cc3ccccn3)C2)n1 ZINC000248018499 257111126 /nfs/dbraw/zinc/11/11/26/257111126.db2.gz LDWQNXKKHQVGRF-SNPRPXQTSA-N 0 1 300.362 1.920 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(Cc2ccncc2)CC1 ZINC000033869895 406962958 /nfs/dbraw/zinc/96/29/58/406962958.db2.gz ZPDXIAHVHHWEEG-QGZVFWFLSA-N 0 1 307.438 1.377 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000078029056 407016646 /nfs/dbraw/zinc/01/66/46/407016646.db2.gz KXFXLKBXMGUUNL-OAHLLOKOSA-N 0 1 304.438 1.754 10 0 DDAEMN COC(=O)c1cc(CN(C)C[C@@H](O)COC(C)(C)C)oc1C ZINC000053442834 407168352 /nfs/dbraw/zinc/16/83/52/407168352.db2.gz QYJCOTYQZIUDOS-GFCCVEGCSA-N 0 1 313.394 1.982 10 0 DDAEMN COCCCOC1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000093561483 407198697 /nfs/dbraw/zinc/19/86/97/407198697.db2.gz IWIWJNATUCXJPT-UHFFFAOYSA-N 0 1 311.426 1.755 10 0 DDAEMN CC[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCN1CCOC ZINC000105837238 407355779 /nfs/dbraw/zinc/35/57/79/407355779.db2.gz XRDIZEUSFPWMCA-MRXNPFEDSA-N 0 1 311.470 1.478 10 0 DDAEMN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(C)[nH]1 ZINC000103253453 407334501 /nfs/dbraw/zinc/33/45/01/407334501.db2.gz AZBLYGHVSLMENL-MFKMUULPSA-N 0 1 315.377 1.896 10 0 DDAEMN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C)n[nH]1 ZINC000103253453 407334502 /nfs/dbraw/zinc/33/45/02/407334502.db2.gz AZBLYGHVSLMENL-MFKMUULPSA-N 0 1 315.377 1.896 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NC[C@@H]2CCCO2)C12CCCC2 ZINC000125650050 407394238 /nfs/dbraw/zinc/39/42/38/407394238.db2.gz UAFVQNBDDFZGBI-ARFHVFGLSA-N 0 1 324.465 1.951 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000113306191 407493562 /nfs/dbraw/zinc/49/35/62/407493562.db2.gz PIXVFFKASPXCCF-CMPLNLGQSA-N 0 1 316.373 1.822 10 0 DDAEMN CCOCCN1CCN(Cc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC000113932472 407530019 /nfs/dbraw/zinc/53/00/19/407530019.db2.gz OZOHVOXPJMMUNI-HNNXBMFYSA-N 0 1 319.449 1.589 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000170873655 407541070 /nfs/dbraw/zinc/54/10/70/407541070.db2.gz PUBIORRVLXYKEM-JTQLQIEISA-N 0 1 306.790 1.804 10 0 DDAEMN C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCCC1 ZINC000261946333 407683924 /nfs/dbraw/zinc/68/39/24/407683924.db2.gz MHURFMLQKMLFKY-UKRRQHHQSA-N 0 1 303.406 1.074 10 0 DDAEMN CC[C@H](C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000171665408 407736108 /nfs/dbraw/zinc/73/61/08/407736108.db2.gz SIVKFDRZYOGZBY-HOCLYGCPSA-N 0 1 319.449 1.580 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262303974 407790948 /nfs/dbraw/zinc/79/09/48/407790948.db2.gz BCDGOSHYQZTNLI-QWHCGFSZSA-N 0 1 320.393 1.032 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000262315729 407798518 /nfs/dbraw/zinc/79/85/18/407798518.db2.gz PQSCZHAZSVZYOF-GFCCVEGCSA-N 0 1 301.350 1.261 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(OC)c2)CCN1CCOC ZINC000117308556 407826893 /nfs/dbraw/zinc/82/68/93/407826893.db2.gz UUHWMUYFPGTREF-INIZCTEOSA-N 0 1 320.433 1.807 10 0 DDAEMN Cc1cnn(CCNC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000117816017 407864416 /nfs/dbraw/zinc/86/44/16/407864416.db2.gz GMZMPJBLCHHCDN-MRXNPFEDSA-N 0 1 300.406 1.481 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(F)ccc2F)C1 ZINC000262680296 407898080 /nfs/dbraw/zinc/89/80/80/407898080.db2.gz AKBFHRQNYJJSFO-UHFFFAOYSA-N 0 1 312.316 1.632 10 0 DDAEMN Cn1cc([C@@H]2CCC[N@@H+]2CCC[N-]C(=O)C(F)(F)F)cn1 ZINC000180609867 407903229 /nfs/dbraw/zinc/90/32/29/407903229.db2.gz OCCWKCYOHFUREP-NSHDSACASA-N 0 1 304.316 1.626 10 0 DDAEMN Cn1cc([C@@H]2CCC[N@H+]2CCC[N-]C(=O)C(F)(F)F)cn1 ZINC000180609867 407903234 /nfs/dbraw/zinc/90/32/34/407903234.db2.gz OCCWKCYOHFUREP-NSHDSACASA-N 0 1 304.316 1.626 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000118858440 407958197 /nfs/dbraw/zinc/95/81/97/407958197.db2.gz JMGGUZYYQGKCNI-MRXNPFEDSA-N 0 1 306.406 1.362 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccnc(Cl)c3)CCO2)n[nH]1 ZINC000181851808 408048364 /nfs/dbraw/zinc/04/83/64/408048364.db2.gz JFBIREQYSUJNFS-SNVBAGLBSA-N 0 1 322.756 1.767 10 0 DDAEMN Cc1ccc(CC(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)s1 ZINC000262988255 407994193 /nfs/dbraw/zinc/99/41/93/407994193.db2.gz VEISUTKKVZTDNZ-ZDUSSCGKSA-N 0 1 324.446 1.997 10 0 DDAEMN CC1CCN(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000119468756 408078021 /nfs/dbraw/zinc/07/80/21/408078021.db2.gz MIMGCHDLJNXXRC-OAHLLOKOSA-N 0 1 317.437 1.294 10 0 DDAEMN CCN(C)[C@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000245858164 408084918 /nfs/dbraw/zinc/08/49/18/408084918.db2.gz PJQYBKYEXGOQFG-HOTGVXAUSA-N 0 1 305.422 1.126 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@H]2CC[C@H](C)C2)C1 ZINC000263343457 408114894 /nfs/dbraw/zinc/11/48/94/408114894.db2.gz FZVNRJZZUQGFPK-MRFVTOPCSA-N 0 1 311.426 1.659 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)n[nH]1 ZINC000175423201 408128600 /nfs/dbraw/zinc/12/86/00/408128600.db2.gz ADWIFCAQXRZLFQ-ZDUSSCGKSA-N 0 1 316.365 1.100 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cnn(C)c3)C2=O)n(C)n1 ZINC000182352115 408134196 /nfs/dbraw/zinc/13/41/96/408134196.db2.gz ODARCMLTHGTDPB-JSGCOSHPSA-N 0 1 316.409 1.308 10 0 DDAEMN COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182372713 408138339 /nfs/dbraw/zinc/13/83/39/408138339.db2.gz GPBKKOLAQLEPIT-OAHLLOKOSA-N 0 1 323.441 1.615 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(CC(C)C)C2CC2)C1 ZINC000263485044 408150861 /nfs/dbraw/zinc/15/08/61/408150861.db2.gz PEESKESLDQXQFN-UHFFFAOYSA-N 0 1 311.426 1.754 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)CCc3ccccc3)CCO2)n[nH]1 ZINC000182418756 408153158 /nfs/dbraw/zinc/15/31/58/408153158.db2.gz UZMRNMOMOVBPDN-HZPDHXFCSA-N 0 1 316.405 1.480 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2csnn2)C1 ZINC000190489024 408259994 /nfs/dbraw/zinc/25/99/94/408259994.db2.gz HAGPMNXWIFNFED-AWEZNQCLSA-N 0 1 303.435 1.887 10 0 DDAEMN CN(C[C@H](O)COC(C)(C)C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246545712 408288409 /nfs/dbraw/zinc/28/84/09/408288409.db2.gz KCNVWEYALNIQOL-MELADBBJSA-N 0 1 321.483 1.450 10 0 DDAEMN Cc1nc([C@H]2CN(CCN(C)c3ccccc3)CCO2)n[nH]1 ZINC000132020196 162028187 /nfs/dbraw/zinc/02/81/87/162028187.db2.gz KFONSVOBHJXMEI-OAHLLOKOSA-N 0 1 301.394 1.623 10 0 DDAEMN COc1ccc(OCCNC(=O)[C@H]2CCc3[nH]nnc3C2)cc1 ZINC000170241027 162185358 /nfs/dbraw/zinc/18/53/58/162185358.db2.gz XOGDDKBLPJEKNN-NSHDSACASA-N 0 1 316.361 1.113 10 0 DDAEMN COc1ccc(OCCNC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 ZINC000170241027 162185360 /nfs/dbraw/zinc/18/53/60/162185360.db2.gz XOGDDKBLPJEKNN-NSHDSACASA-N 0 1 316.361 1.113 10 0 DDAEMN COC[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000183217863 408358631 /nfs/dbraw/zinc/35/86/31/408358631.db2.gz UXTPUDFPEKOYDI-SMDDNHRTSA-N 0 1 308.332 1.848 10 0 DDAEMN COc1ccccc1CC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173518250 162345230 /nfs/dbraw/zinc/34/52/30/162345230.db2.gz AXVUKNBYEHTZET-AWEZNQCLSA-N 0 1 316.361 1.264 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173538127 162347804 /nfs/dbraw/zinc/34/78/04/162347804.db2.gz RRRBZRMQNJBYAW-CQSZACIVSA-N 0 1 300.362 1.889 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(N)=O)c2ccccc2)CCN1CCOC ZINC000247151259 408417262 /nfs/dbraw/zinc/41/72/62/408417262.db2.gz LQYWPNQBISZEPF-HZPDHXFCSA-N 0 1 305.422 1.256 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(C[C@H](O)CC)CC1 ZINC000184119193 408551455 /nfs/dbraw/zinc/55/14/55/408551455.db2.gz YCFUZTREOOGYSJ-CYBMUJFWSA-N 0 1 307.394 1.151 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177219506 408554645 /nfs/dbraw/zinc/55/46/45/408554645.db2.gz PPBDNCDXCHCOTB-OFQRWUPVSA-N 0 1 311.470 1.332 10 0 DDAEMN CC(C)CN(C(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1)C1CC1 ZINC000177234509 408560554 /nfs/dbraw/zinc/56/05/54/408560554.db2.gz OXYKZDHPUZFNIG-WBVHZDCISA-N 0 1 323.481 1.286 10 0 DDAEMN O=c1[nH]cnc(NCC2CCCC2)c1I ZINC000165187197 408809516 /nfs/dbraw/zinc/80/95/16/408809516.db2.gz UHVAHJBZWLBMLA-UHFFFAOYSA-N 0 1 319.146 1.977 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000249801240 408766126 /nfs/dbraw/zinc/76/61/26/408766126.db2.gz AHMNZVHFOKIFJZ-CABCVRRESA-N 0 1 304.438 1.976 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CCN1 ZINC000189002045 163081514 /nfs/dbraw/zinc/08/15/14/163081514.db2.gz VYESDYCVKLQPDC-SNVBAGLBSA-N 0 1 324.812 1.867 10 0 DDAEMN C[C@@H]1OCCC[C@H]1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000190352093 163137113 /nfs/dbraw/zinc/13/71/13/163137113.db2.gz AITLAETUEMGBRM-LSDHHAIUSA-N 0 1 311.470 1.334 10 0 DDAEMN CCN(C)c1ccc(CN2CC[C@H](N3CCOCC3)C2)cn1 ZINC000191255962 163178911 /nfs/dbraw/zinc/17/89/11/163178911.db2.gz CYUJNSYKMOQKEC-INIZCTEOSA-N 0 1 304.438 1.444 10 0 DDAEMN CC(C)(C)OC(=O)NCCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195085764 163305663 /nfs/dbraw/zinc/30/56/63/163305663.db2.gz WYSWIYAXIWXXAV-CYBMUJFWSA-N 0 1 311.426 1.598 10 0 DDAEMN O=C(CC1CCCCC1)NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195368729 163318406 /nfs/dbraw/zinc/31/84/06/163318406.db2.gz XIILAQISXYUNQO-INIZCTEOSA-N 0 1 321.465 1.770 10 0 DDAEMN OC1CC(CNCc2ncc(I)s2)C1 ZINC000308561562 306729202 /nfs/dbraw/zinc/72/92/02/306729202.db2.gz XRXHNJZYRHYGSL-UHFFFAOYSA-N 0 1 324.187 1.608 10 0 DDAEMN CN(C)[C@H](CNc1nnnn1-c1ccccc1)c1cnn(C)c1 ZINC000301296163 410692876 /nfs/dbraw/zinc/69/28/76/410692876.db2.gz RUCJTDGALWNNQM-CQSZACIVSA-N 0 1 312.381 1.111 10 0 DDAEMN CN(C[C@H]1CCCN(C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000301315724 410699208 /nfs/dbraw/zinc/69/92/08/410699208.db2.gz MUAOFTINIBMOKM-LBPRGKRZSA-N 0 1 307.419 1.409 10 0 DDAEMN COc1cccc(-c2noc(N3C[C@@H]4[C@H](C3)OCCN4C)n2)c1 ZINC000301663938 410765267 /nfs/dbraw/zinc/76/52/67/410765267.db2.gz NPGNJYAHVUPDLA-KGLIPLIRSA-N 0 1 316.361 1.264 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000375079936 418600800 /nfs/dbraw/zinc/60/08/00/418600800.db2.gz JDOXVWWSXYLTOQ-WQGACYEGSA-N 0 1 304.394 1.063 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000375079936 418600803 /nfs/dbraw/zinc/60/08/03/418600803.db2.gz JDOXVWWSXYLTOQ-WQGACYEGSA-N 0 1 304.394 1.063 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cc(Cl)ccc1Br ZINC000572640052 421808206 /nfs/dbraw/zinc/80/82/06/421808206.db2.gz SKUFNYOLJDWLJY-JTQLQIEISA-N 0 1 321.602 1.692 10 0 DDAEMN C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1C[NH3+] ZINC000638893175 423180849 /nfs/dbraw/zinc/18/08/49/423180849.db2.gz LSQZHNBWZOTJBQ-IUCAKERBSA-N 0 1 313.195 1.822 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246391708 276283970 /nfs/dbraw/zinc/28/39/70/276283970.db2.gz IXWAXOCJAJSTKG-VGWMRTNUSA-N 0 1 311.470 1.332 10 0 DDAEMN CC(=O)NCC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@H](C)C(=O)[O-] ZINC000263355302 277032415 /nfs/dbraw/zinc/03/24/15/277032415.db2.gz QSCXHTPHQQHNCO-UMVBOHGHSA-N 0 1 314.426 1.493 10 0 DDAEMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173954496 278183995 /nfs/dbraw/zinc/18/39/95/278183995.db2.gz QEXYEKJXPRASAG-RDJZCZTQSA-N 0 1 323.481 1.573 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000155101231 288378346 /nfs/dbraw/zinc/37/83/46/288378346.db2.gz UZPUTILGGQGEJC-OKILXGFUSA-N 0 1 318.421 1.083 10 0 DDAEMN CCOCC[N@H+]1CCN(C(=O)N[C@H](C)CSC)C[C@H]1CC ZINC000246734307 282010994 /nfs/dbraw/zinc/01/09/94/282010994.db2.gz JTRLTELBPOFBPU-ZIAGYGMSSA-N 0 1 317.499 1.880 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H](C)CSC)C[C@H]1CC ZINC000246734307 282010995 /nfs/dbraw/zinc/01/09/95/282010995.db2.gz JTRLTELBPOFBPU-ZIAGYGMSSA-N 0 1 317.499 1.880 10 0 DDAEMN Cc1cnn(C)c1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000367143601 307087158 /nfs/dbraw/zinc/08/71/58/307087158.db2.gz KACZCKSXVNRQSF-OAHLLOKOSA-N 0 1 314.437 1.894 10 0 DDAEMN CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(CN)o1)C2 ZINC000168411815 484090264 /nfs/dbraw/zinc/09/02/64/484090264.db2.gz HVFSXOSMIKKJQH-UHFFFAOYSA-N 0 1 302.378 1.794 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cnn3ccncc23)n[nH]1 ZINC000328700150 534555730 /nfs/dbraw/zinc/55/57/30/534555730.db2.gz VYYLPHWUZXDJEP-LBPRGKRZSA-N 0 1 311.349 1.523 10 0 DDAEMN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1CCOC1 ZINC000181992755 697468886 /nfs/dbraw/zinc/46/88/86/697468886.db2.gz ZHVQPPPLNBGGKC-ZDUSSCGKSA-N 0 1 308.426 1.259 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccnn1C ZINC000185813225 697524644 /nfs/dbraw/zinc/52/46/44/697524644.db2.gz LHZVOUQLOHCOHI-MRXNPFEDSA-N 0 1 300.406 1.252 10 0 DDAEMN COC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000246338818 698348274 /nfs/dbraw/zinc/34/82/74/698348274.db2.gz LCLGSKSTSACMOP-NVXWUHKLSA-N 0 1 320.437 1.498 10 0 DDAEMN CC[C@H]1CN(CN2C[C@@H](C(C)C)CC2=O)CCN1CCOC ZINC000246920626 698357521 /nfs/dbraw/zinc/35/75/21/698357521.db2.gz BGMVXKDMJVAZBT-HOTGVXAUSA-N 0 1 311.470 1.491 10 0 DDAEMN Cc1cc(C)c(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)o1 ZINC000262718316 698478457 /nfs/dbraw/zinc/47/84/57/698478457.db2.gz OJKGAPQATHYCSE-UHFFFAOYSA-N 0 1 320.389 1.954 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccccc2F)C1 ZINC000262747352 698479623 /nfs/dbraw/zinc/47/96/23/698479623.db2.gz XOJBUDYOENOCLD-UHFFFAOYSA-N 0 1 308.353 1.422 10 0 DDAEMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000379603131 699059524 /nfs/dbraw/zinc/05/95/24/699059524.db2.gz FAZNKDFBPAWNSC-UONOGXRCSA-N 0 1 304.390 1.734 10 0 DDAEMN O=C(c1ccncc1Br)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720647979 699307027 /nfs/dbraw/zinc/30/70/27/699307027.db2.gz GFDJQHJBOFSOPO-SECBINFHSA-N 0 1 323.154 1.335 10 0 DDAEMN NC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000074630547 185004430 /nfs/dbraw/zinc/00/44/30/185004430.db2.gz AJDVCLROTJWDEP-UHFFFAOYSA-N 0 1 307.313 1.823 10 0 DDAEMN CCCCOC[C@H](O)CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248659043 282096877 /nfs/dbraw/zinc/09/68/77/282096877.db2.gz UTYARXYJXDRKSB-RBSFLKMASA-N 0 1 321.483 1.452 10 0 DDAEMN COc1ccc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000081900776 192335569 /nfs/dbraw/zinc/33/55/69/192335569.db2.gz INWWBBDIGZIALZ-WDEREUQCSA-N 0 1 301.408 1.788 10 0 DDAEMN COc1ccc(C)cc1[C@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000081902957 192336630 /nfs/dbraw/zinc/33/66/30/192336630.db2.gz PCZUPBHOKKNGKH-WCQYABFASA-N 0 1 301.408 1.060 10 0 DDAEMN O=S(=O)(CCNC1CC1)c1ccccc1Br ZINC000081932144 192341285 /nfs/dbraw/zinc/34/12/85/192341285.db2.gz NGOQWPJGSQYJMT-UHFFFAOYSA-N 0 1 304.209 1.975 10 0 DDAEMN O=S1(=O)CCC(CN2CC[C@H](Oc3ccncc3)C2)CC1 ZINC000328607255 231243248 /nfs/dbraw/zinc/24/32/48/231243248.db2.gz LAXQAEJJOSVYKB-HNNXBMFYSA-N 0 1 310.419 1.360 10 0 DDAEMN C[C@@H](NCCN1CCCS1(=O)=O)c1cc(F)ccc1F ZINC000089519833 539172998 /nfs/dbraw/zinc/17/29/98/539172998.db2.gz LCXNYNSQVSQTLG-SNVBAGLBSA-N 0 1 304.362 1.651 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(CCC)C(C)C)c1S(N)(=O)=O ZINC000087894731 185235236 /nfs/dbraw/zinc/23/52/36/185235236.db2.gz CGONPGAJGZOIIW-UHFFFAOYSA-N 0 1 316.427 1.270 10 0 DDAEMN CCCCCN(C)C(=O)c1n[nH]c(CCC)c1S(N)(=O)=O ZINC000087895541 185235521 /nfs/dbraw/zinc/23/55/21/185235521.db2.gz LWMPMTMUPCOHMK-UHFFFAOYSA-N 0 1 316.427 1.272 10 0 DDAEMN Cc1n[nH]c(C(=O)N2CCCC(C)(C)CC2)c1S(N)(=O)=O ZINC000087901334 185236981 /nfs/dbraw/zinc/23/69/81/185236981.db2.gz XVOVZWLTUASLGJ-UHFFFAOYSA-N 0 1 314.411 1.018 10 0 DDAEMN CCc1cccc(C)c1NC(=O)CN[C@@H](C(=O)NC)C(C)C ZINC000183685001 539242993 /nfs/dbraw/zinc/24/29/93/539242993.db2.gz KTHICJJEKZATQU-OAHLLOKOSA-N 0 1 305.422 1.856 10 0 DDAEMN NS(=O)(=O)c1ccc(CN[C@H]2CCC[C@H]2n2ccnc2)o1 ZINC000088539145 185255307 /nfs/dbraw/zinc/25/53/07/185255307.db2.gz RDJLYOCGMGMHMM-NWDGAFQWSA-N 0 1 310.379 1.007 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccccc1CO ZINC000088892500 185269868 /nfs/dbraw/zinc/26/98/68/185269868.db2.gz QFIAVPOMBHWZOY-UHFFFAOYSA-N 0 1 314.451 1.387 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1[C@@H]1CCC(=O)NC1=O ZINC000090018293 185278297 /nfs/dbraw/zinc/27/82/97/185278297.db2.gz CXAGAXQUVFKTSM-MRVPVSSYSA-N 0 1 323.150 1.359 10 0 DDAEMN C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090424226 185295658 /nfs/dbraw/zinc/29/56/58/185295658.db2.gz UVTQWQQVTOGVTE-NWDGAFQWSA-N 0 1 314.179 1.981 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2ccnc(Cl)c2)C[C@@H]1C ZINC000255217357 282241369 /nfs/dbraw/zinc/24/13/69/282241369.db2.gz XMFHZSZZRSYKJO-LDIIPZEWSA-N 0 1 323.824 1.662 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cccc(F)c1N ZINC000092622501 185330091 /nfs/dbraw/zinc/33/00/91/185330091.db2.gz HJCYEVKMEUQPKK-JTQLQIEISA-N 0 1 301.387 1.123 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(CO)oc1C ZINC000092678420 185333561 /nfs/dbraw/zinc/33/35/61/185333561.db2.gz DYJHGNZXVMYXSE-GFCCVEGCSA-N 0 1 316.423 1.185 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000092780374 185340033 /nfs/dbraw/zinc/34/00/33/185340033.db2.gz NKDAVGVUSUCMFD-PSASIEDQSA-N 0 1 302.300 1.225 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC[C@H]1c1ccsc1 ZINC000092780542 185340170 /nfs/dbraw/zinc/34/01/70/185340170.db2.gz LVVMMUQIBMWAHY-JSGCOSHPSA-N 0 1 302.403 1.849 10 0 DDAEMN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000181629606 199329764 /nfs/dbraw/zinc/32/97/64/199329764.db2.gz AKNRNNOBKQHIDE-IUCAKERBSA-N 0 1 300.305 1.293 10 0 DDAEMN Cn1cnc(N)c1S(=O)(=O)Nc1cccc2cnccc21 ZINC000070085486 190857237 /nfs/dbraw/zinc/85/72/37/190857237.db2.gz ALXPKXAMNMILBR-UHFFFAOYSA-N 0 1 303.347 1.351 10 0 DDAEMN CN(C)CCN(C)S(=O)(=O)CCSc1ccc(N)cc1 ZINC000070214851 190872641 /nfs/dbraw/zinc/87/26/41/190872641.db2.gz RBLDLDRIUYHJDL-UHFFFAOYSA-N 0 1 317.480 1.184 10 0 DDAEMN COc1cc(C(=O)NCCc2nc[nH]n2)cc(Cl)c1OC ZINC000080578888 192168607 /nfs/dbraw/zinc/16/86/07/192168607.db2.gz DTHNFMHDPMIBNE-UHFFFAOYSA-N 0 1 310.741 1.448 10 0 DDAEMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnccc1N(C)C ZINC000183884793 186227458 /nfs/dbraw/zinc/22/74/58/186227458.db2.gz DQWXTYPOXZKOMA-LBPRGKRZSA-N 0 1 314.393 1.566 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccccn2)C[C@H]1CC ZINC000172113147 198041447 /nfs/dbraw/zinc/04/14/47/198041447.db2.gz FSMNKQKXHVFHHF-MRXNPFEDSA-N 0 1 320.437 1.724 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccnc3Cl)CCO2)n[nH]1 ZINC000173610983 198232270 /nfs/dbraw/zinc/23/22/70/198232270.db2.gz WDIJLDAEQIQLAR-SNVBAGLBSA-N 0 1 321.768 1.629 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccccc2F)C1 ZINC000173883617 198263793 /nfs/dbraw/zinc/26/37/93/198263793.db2.gz WONBBFRFHORZEB-YPMHNXCESA-N 0 1 300.399 1.833 10 0 DDAEMN O=C([O-])[C@H]1CCCCC[N@@H+]1[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000080992014 192209825 /nfs/dbraw/zinc/20/98/25/192209825.db2.gz RXODSYBIXWDNGN-CHWSQXEVSA-N 0 1 309.387 1.844 10 0 DDAEMN O=C([O-])[C@H]1CCCCC[N@H+]1[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000080992014 192209826 /nfs/dbraw/zinc/20/98/26/192209826.db2.gz RXODSYBIXWDNGN-CHWSQXEVSA-N 0 1 309.387 1.844 10 0 DDAEMN CCNc1ncc(S(=O)(=O)NC[C@H](C)N(C)C)cc1Cl ZINC000081693731 192313910 /nfs/dbraw/zinc/31/39/10/192313910.db2.gz XLSHVACIIUYQMN-VIFPVBQESA-N 0 1 320.846 1.395 10 0 DDAEMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)c1C ZINC000619294298 363965039 /nfs/dbraw/zinc/96/50/39/363965039.db2.gz XYJMEXHJRAQSSF-SWLSCSKDSA-N 0 1 317.393 1.658 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)N(C)CC1CC(O)C1 ZINC000091462879 193059425 /nfs/dbraw/zinc/05/94/25/193059425.db2.gz AHRHRBRGRHMWGU-BMQDGWLCSA-N 0 1 311.813 1.952 10 0 DDAEMN CCC[C@@H](C)NC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091478532 193062641 /nfs/dbraw/zinc/06/26/41/193062641.db2.gz UDQZMUZOKYUCCG-LLVKDONJSA-N 0 1 317.524 1.775 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2c[nH]c3cc(N)ccc32)C1 ZINC000091500534 193065196 /nfs/dbraw/zinc/06/51/96/193065196.db2.gz KCJDJLKHKXBGSI-NSHDSACASA-N 0 1 308.407 1.075 10 0 DDAEMN CCN1CCO[C@@H](C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC000092059730 193149486 /nfs/dbraw/zinc/14/94/86/193149486.db2.gz BMKMCNMHHZEGOV-ZYHUDNBSSA-N 0 1 310.316 1.046 10 0 DDAEMN O=C([O-])CC[NH+]1CCN(C[C@H]2Cc3ccccc3S2)CC1 ZINC000092266439 193182767 /nfs/dbraw/zinc/18/27/67/193182767.db2.gz GTKOUCWDMDKHCW-CQSZACIVSA-N 0 1 306.431 1.796 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000262245718 203239540 /nfs/dbraw/zinc/23/95/40/203239540.db2.gz SAZSCLFWRMWUMI-AEFFLSMTSA-N 0 1 318.417 1.337 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cncc(-c2nncn2C)c1)N(C)C ZINC000093244904 193220718 /nfs/dbraw/zinc/22/07/18/193220718.db2.gz ILJHVSOYWGIEJY-ZDUSSCGKSA-N 0 1 302.382 1.546 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093758789 193301926 /nfs/dbraw/zinc/30/19/26/193301926.db2.gz LNVTVQCCUNDQLG-GXSJLCMTSA-N 0 1 302.172 1.631 10 0 DDAEMN COc1ccc2nc(S[C@@H]3CC[C@]([NH3+])(C(=O)[O-])C3)[nH]c2c1 ZINC000093850569 193317252 /nfs/dbraw/zinc/31/72/52/193317252.db2.gz QEVZFNNUZRORBN-YMTOWFKASA-N 0 1 307.375 1.998 10 0 DDAEMN CCc1nc([C@H]2CN(C)CCN2C)[nH]c(=O)c1Br ZINC000093893071 193324103 /nfs/dbraw/zinc/32/41/03/193324103.db2.gz LIABJECZZNYNOG-SECBINFHSA-N 0 1 315.215 1.425 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cc(Br)c[nH]c1=O)N(C)C ZINC000094056687 193341328 /nfs/dbraw/zinc/34/13/28/193341328.db2.gz VFKRCZZNCCFLOU-JTQLQIEISA-N 0 1 316.199 1.806 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NC2CCN(C)CC2)cc1N ZINC000094637087 193386871 /nfs/dbraw/zinc/38/68/71/193386871.db2.gz GOLAOZOCIXCICU-UHFFFAOYSA-N 0 1 317.842 1.603 10 0 DDAEMN NCc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)o1 ZINC000094568305 193380833 /nfs/dbraw/zinc/38/08/33/193380833.db2.gz PKEUTPYOFPQCRV-DGCLKSJQSA-N 0 1 310.419 1.865 10 0 DDAEMN Nc1cc(N)nc(SCc2nc3ccccc3[nH]c2=O)n1 ZINC000019855012 182157130 /nfs/dbraw/zinc/15/71/30/182157130.db2.gz UGEYCYWZJIDNFS-UHFFFAOYSA-N 0 1 300.347 1.170 10 0 DDAEMN NS(=O)(=O)c1ccccc1NS(=O)(=O)C1CCCCC1 ZINC000040384637 183059208 /nfs/dbraw/zinc/05/92/08/183059208.db2.gz XPLZNTKKULAOAS-UHFFFAOYSA-N 0 1 318.420 1.408 10 0 DDAEMN CC1CCN(CCNS(=O)(=O)c2cc(F)ccc2N)CC1 ZINC000040771206 183131803 /nfs/dbraw/zinc/13/18/03/183131803.db2.gz FZVSLJPEHYDNGN-UHFFFAOYSA-N 0 1 315.414 1.418 10 0 DDAEMN C[C@@H](NC(=O)CNC(=O)CN)c1ccc(Cl)c(Cl)c1 ZINC000040807582 183136686 /nfs/dbraw/zinc/13/66/86/183136686.db2.gz YGYINLYHGSGNBW-SSDOTTSWSA-N 0 1 304.177 1.246 10 0 DDAEMN Ic1ccc(CNCCn2ccnc2)o1 ZINC000041050962 183159107 /nfs/dbraw/zinc/15/91/07/183159107.db2.gz MWZIWDQWILCXRB-UHFFFAOYSA-N 0 1 317.130 1.871 10 0 DDAEMN CC(C)[C@@H](CNC(=O)Cc1cccs1)N1CCN(C)CC1 ZINC000042582214 183286636 /nfs/dbraw/zinc/28/66/36/183286636.db2.gz WBYNXNZGICATSG-OAHLLOKOSA-N 0 1 309.479 1.679 10 0 DDAEMN O=C(CSc1ccc(C(F)(F)F)cn1)N1CCNCC1 ZINC000043402915 183359039 /nfs/dbraw/zinc/35/90/39/183359039.db2.gz FIDMKVDLVZBUQZ-UHFFFAOYSA-N 0 1 305.325 1.624 10 0 DDAEMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1cccc(F)c1 ZINC000105882908 194155948 /nfs/dbraw/zinc/15/59/48/194155948.db2.gz MTSXNFQEEBEYGB-CYBMUJFWSA-N 0 1 317.368 1.768 10 0 DDAEMN COCCN1CCN(Cc2ccc(F)cc2C(=O)OC)C[C@H]1C ZINC000106107065 194186449 /nfs/dbraw/zinc/18/64/49/194186449.db2.gz FATREXGFUBRYPS-CYBMUJFWSA-N 0 1 324.396 1.765 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000109461423 194265424 /nfs/dbraw/zinc/26/54/24/194265424.db2.gz PPSUKUBOIYZVAB-CYBMUJFWSA-N 0 1 306.435 1.213 10 0 DDAEMN Cn1c(CN)nnc1SCc1cn2cc(Cl)ccc2n1 ZINC000110909456 194369077 /nfs/dbraw/zinc/36/90/77/194369077.db2.gz TYDOEWCIMMCRDG-UHFFFAOYSA-N 0 1 308.798 1.867 10 0 DDAEMN CC(C)N(CC(N)=O)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000057951142 184064117 /nfs/dbraw/zinc/06/41/17/184064117.db2.gz AZLKQYBOOYDYCH-CQSZACIVSA-N 0 1 314.813 1.413 10 0 DDAEMN CNc1ncc(S(=O)(=O)Nc2ccc(OC)cc2C)cn1 ZINC000061569365 184175144 /nfs/dbraw/zinc/17/51/44/184175144.db2.gz SINSWKVFFKPQDY-UHFFFAOYSA-N 0 1 308.363 1.636 10 0 DDAEMN CCOC(=O)[C@@H](N)CCn1nc(C)c(Br)c1C ZINC000062538514 184241858 /nfs/dbraw/zinc/24/18/58/184241858.db2.gz MMIFYEJOSBTOSU-VIFPVBQESA-N 0 1 304.188 1.543 10 0 DDAEMN CNS(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000062362047 184232813 /nfs/dbraw/zinc/23/28/13/184232813.db2.gz VNSHBLJZUFKDPK-HNNXBMFYSA-N 0 1 311.451 1.576 10 0 DDAEMN CCN(CC)[C@@H](CNS(=O)(=O)NC)c1ccc(Cl)cc1 ZINC000062358376 184232882 /nfs/dbraw/zinc/23/28/82/184232882.db2.gz JQCBEBYEUICURC-ZDUSSCGKSA-N 0 1 319.858 1.777 10 0 DDAEMN Cc1cc(NC(=O)[C@H](C)NC(=O)c2[nH]nc3c2CCCC3)no1 ZINC000062371045 184233368 /nfs/dbraw/zinc/23/33/68/184233368.db2.gz SEDVYTSRCSUMTA-VIFPVBQESA-N 0 1 317.349 1.342 10 0 DDAEMN COCCNCc1c(Cl)cccc1N1CCNC(=O)CC1 ZINC000062738460 184251801 /nfs/dbraw/zinc/25/18/01/184251801.db2.gz HJSJRBFSYYUTFO-UHFFFAOYSA-N 0 1 311.813 1.402 10 0 DDAEMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccccc2Cl)C1 ZINC000062936601 184260944 /nfs/dbraw/zinc/26/09/44/184260944.db2.gz KZKCXRTWAHBLSH-OAHLLOKOSA-N 0 1 310.781 1.753 10 0 DDAEMN Cc1ccc(C)c(CS(=O)(=O)N2CCc3nc[nH]c3C2)c1 ZINC000065164432 184313108 /nfs/dbraw/zinc/31/31/08/184313108.db2.gz OIUILGTVJWAUKK-UHFFFAOYSA-N 0 1 305.403 1.915 10 0 DDAEMN Cc1cnn(CCNC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000118051413 194865016 /nfs/dbraw/zinc/86/50/16/194865016.db2.gz OBNPFQGJLVZKHA-CYBMUJFWSA-N 0 1 321.450 1.855 10 0 DDAEMN CN1[C@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000248061580 257110654 /nfs/dbraw/zinc/11/06/54/257110654.db2.gz UUWIXHOIJNVBEJ-BHYGNILZSA-N 0 1 314.433 1.112 10 0 DDAEMN COCC(=O)NC[C@@]12COC[C@@H]1CN(Cc1ccccc1F)C2 ZINC000247829777 257116863 /nfs/dbraw/zinc/11/68/63/257116863.db2.gz KVCKFBDHMVDHEV-WMLDXEAASA-N 0 1 322.380 1.037 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccccn2)C1)N1CCCC1 ZINC000247755194 257117819 /nfs/dbraw/zinc/11/78/19/257117819.db2.gz CZYXYOXVDKJDGR-PVAVHDDUSA-N 0 1 315.417 1.683 10 0 DDAEMN CC[C@@H]1CN(Cc2c(C)nn(C)c2OC)CC[N@H+]1CCOC ZINC000120949897 195269253 /nfs/dbraw/zinc/26/92/53/195269253.db2.gz HUEWTZMFMQXAJD-CQSZACIVSA-N 0 1 310.442 1.280 10 0 DDAEMN CC[C@@H]1CN(Cc2c(C)nn(C)c2OC)CCN1CCOC ZINC000120949897 195269254 /nfs/dbraw/zinc/26/92/54/195269254.db2.gz HUEWTZMFMQXAJD-CQSZACIVSA-N 0 1 310.442 1.280 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(CCOC)[C@H](CC)C2)o1 ZINC000120969843 195273710 /nfs/dbraw/zinc/27/37/10/195273710.db2.gz PGOVEUHRUCWTDS-CQSZACIVSA-N 0 1 324.421 1.999 10 0 DDAEMN CCn1cc(CN2CCCN(Cc3ccnn3CC)CC2)cn1 ZINC000121628504 195319180 /nfs/dbraw/zinc/31/91/80/195319180.db2.gz DCHVADLAIZHBSN-UHFFFAOYSA-N 0 1 316.453 1.827 10 0 DDAEMN COC(=O)c1sccc1NS(=O)(=O)c1ccc(N)cc1 ZINC000034958617 406967069 /nfs/dbraw/zinc/96/70/69/406967069.db2.gz YTVDBJNONMZMNB-UHFFFAOYSA-N 0 1 312.372 1.918 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000075978199 406948429 /nfs/dbraw/zinc/94/84/29/406948429.db2.gz ZXPHKKYPHVYBGA-RDJZCZTQSA-N 0 1 316.449 1.512 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1CCC(=O)NC(=O)NCc1ccccc1 ZINC000077368026 406986781 /nfs/dbraw/zinc/98/67/81/406986781.db2.gz BDNYTXBJTQBJNW-OKILXGFUSA-N 0 1 319.405 1.512 10 0 DDAEMN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2nccc(N)n2)CC1 ZINC000097139128 407281759 /nfs/dbraw/zinc/28/17/59/407281759.db2.gz DAVHNLSMJHLSFP-GFCCVEGCSA-N 0 1 321.425 1.938 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCc1csc(=O)[nH]1 ZINC000122881620 407313903 /nfs/dbraw/zinc/31/39/03/407313903.db2.gz AKTOONNISRUDJK-CYBMUJFWSA-N 0 1 305.403 1.226 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)C3CC3)C2)n1 ZINC000105885515 407356109 /nfs/dbraw/zinc/35/61/09/407356109.db2.gz BBFCTKKCZVLSEI-CQSZACIVSA-N 0 1 305.426 1.228 10 0 DDAEMN Cn1cc(CN2CCCN(CCOCC(F)(F)F)CC2)cn1 ZINC000105869936 407356318 /nfs/dbraw/zinc/35/63/18/407356318.db2.gz KIRIRVRWQHKMKJ-UHFFFAOYSA-N 0 1 320.359 1.507 10 0 DDAEMN O=C(CCc1cccnc1)NCCc1nc(-c2cccnc2)n[nH]1 ZINC000221404893 407549254 /nfs/dbraw/zinc/54/92/54/407549254.db2.gz BQJLWTACXBDDCA-UHFFFAOYSA-N 0 1 322.372 1.553 10 0 DDAEMN O=C(CCc1cccnc1)NCCc1n[nH]c(-c2cccnc2)n1 ZINC000221404893 407549260 /nfs/dbraw/zinc/54/92/60/407549260.db2.gz BQJLWTACXBDDCA-UHFFFAOYSA-N 0 1 322.372 1.553 10 0 DDAEMN Cc1noc([C@H]2COCCN2C(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000186610921 407719424 /nfs/dbraw/zinc/71/94/24/407719424.db2.gz LEJYOWWTBZJOLV-GFCCVEGCSA-N 0 1 303.322 1.192 10 0 DDAEMN COC[C@H](C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186640429 407726155 /nfs/dbraw/zinc/72/61/55/407726155.db2.gz AZFUUFZXMUUUDH-NSHDSACASA-N 0 1 304.350 1.282 10 0 DDAEMN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1ccccc1C ZINC000153076732 407748481 /nfs/dbraw/zinc/74/84/81/407748481.db2.gz OVAUWQIDATZSHF-AWEZNQCLSA-N 0 1 305.422 1.630 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H](C)CSC)C[C@@H]1CC ZINC000116767673 407774226 /nfs/dbraw/zinc/77/42/26/407774226.db2.gz FKCCATNVAMDPGJ-KBPBESRZSA-N 0 1 302.484 1.945 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000262363103 407812567 /nfs/dbraw/zinc/81/25/67/407812567.db2.gz VWBOCUGNWGZHMB-CMPLNLGQSA-N 0 1 305.403 1.961 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000262515779 407854450 /nfs/dbraw/zinc/85/44/50/407854450.db2.gz KEAYEEMXZHXRHR-VIFPVBQESA-N 0 1 306.284 1.848 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457729 407880263 /nfs/dbraw/zinc/88/02/63/407880263.db2.gz TTWKNWXKZKZUFW-JKSUJKDBSA-N 0 1 306.406 1.289 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173520821 407883393 /nfs/dbraw/zinc/88/33/93/407883393.db2.gz USXNLAZIQNDMSY-VIFPVBQESA-N 0 1 324.772 1.022 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccnc(OC)c2)C1 ZINC000262974310 407992019 /nfs/dbraw/zinc/99/20/19/407992019.db2.gz AXTIQCBZHSJUQQ-UHFFFAOYSA-N 0 1 322.365 1.149 10 0 DDAEMN COCc1ccsc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000182219498 408099632 /nfs/dbraw/zinc/09/96/32/408099632.db2.gz DMULORQQRXYQHA-LLVKDONJSA-N 0 1 322.390 1.535 10 0 DDAEMN CCCNC(=O)c1ccc(N2CC[N@@H+](CCOC)[C@@H](C)C2)nc1 ZINC000246045671 408128173 /nfs/dbraw/zinc/12/81/73/408128173.db2.gz BSCHNGCXBODNES-AWEZNQCLSA-N 0 1 320.437 1.378 10 0 DDAEMN CCCNC(=O)c1ccc(N2CCN(CCOC)[C@@H](C)C2)nc1 ZINC000246045671 408128178 /nfs/dbraw/zinc/12/81/78/408128178.db2.gz BSCHNGCXBODNES-AWEZNQCLSA-N 0 1 320.437 1.378 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cnn(CC(C)C)c2)C1 ZINC000263405120 408130716 /nfs/dbraw/zinc/13/07/16/408130716.db2.gz HNXVOGGTJKIHDX-UHFFFAOYSA-N 0 1 322.409 1.206 10 0 DDAEMN CCn1cc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cn1 ZINC000263469357 408148797 /nfs/dbraw/zinc/14/87/97/408148797.db2.gz DGSUNWUILLYYDU-UHFFFAOYSA-N 0 1 306.410 1.320 10 0 DDAEMN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](CO)c1ccccc1 ZINC000182916874 408284647 /nfs/dbraw/zinc/28/46/47/408284647.db2.gz BQFIDILNBAGNEZ-JSGCOSHPSA-N 0 1 307.394 1.180 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCO[C@@H](c2nccs2)C1 ZINC000139316231 162132387 /nfs/dbraw/zinc/13/23/87/162132387.db2.gz LXJKMBVBYNOXHP-GFCCVEGCSA-N 0 1 321.406 1.574 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n[nH]1 ZINC000173405195 162338124 /nfs/dbraw/zinc/33/81/24/162338124.db2.gz HTDADMVUUYJWGV-GFCCVEGCSA-N 0 1 308.382 1.098 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)NCCC2=CCCCC2)C[C@@H]1C ZINC000247370463 408458900 /nfs/dbraw/zinc/45/89/00/408458900.db2.gz UOODEXFCROMQQY-HOTGVXAUSA-N 0 1 323.481 1.380 10 0 DDAEMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247023932 408391584 /nfs/dbraw/zinc/39/15/84/408391584.db2.gz PGDIQIVZPCTSIQ-MFKMUULPSA-N 0 1 314.455 1.044 10 0 DDAEMN O[C@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247210067 408429759 /nfs/dbraw/zinc/42/97/59/408429759.db2.gz PTFLXATZLUYODZ-CABCVRRESA-N 0 1 320.368 1.494 10 0 DDAEMN COc1cccc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000176934946 408479664 /nfs/dbraw/zinc/47/96/64/408479664.db2.gz KPIWKUYXAVKDOE-CYBMUJFWSA-N 0 1 317.349 1.727 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)cn1 ZINC000191772517 408489181 /nfs/dbraw/zinc/48/91/81/408489181.db2.gz XBYAFUAHXHARLQ-HNNXBMFYSA-N 0 1 317.393 1.963 10 0 DDAEMN CCc1cc(C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)n[nH]1 ZINC000191716310 408474267 /nfs/dbraw/zinc/47/42/67/408474267.db2.gz GGSKEVORIBZNDJ-AWEZNQCLSA-N 0 1 303.366 1.402 10 0 DDAEMN Cc1cccc(CNC(=O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000177760998 408703672 /nfs/dbraw/zinc/70/36/72/408703672.db2.gz BVFURMJWYNRHNX-QGZVFWFLSA-N 0 1 301.434 1.781 10 0 DDAEMN Cn1ccc(N2CCC[C@H](N3CCN4CCCC[C@@H]4C3)C2=O)n1 ZINC000177768633 408705554 /nfs/dbraw/zinc/70/55/54/408705554.db2.gz DTSRCZVPNRTFKK-CABCVRRESA-N 0 1 317.437 1.086 10 0 DDAEMN NC(=O)[C@H](c1ccccc1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249576221 408743743 /nfs/dbraw/zinc/74/37/43/408743743.db2.gz PPAMMEAVJCOLTB-OAGGEKHMSA-N 0 1 316.426 1.982 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000252442069 408793284 /nfs/dbraw/zinc/79/32/84/408793284.db2.gz GENYFSXFPWZCDF-NSHDSACASA-N 0 1 314.382 1.303 10 0 DDAEMN O=C(COCCOc1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195057773 408810264 /nfs/dbraw/zinc/81/02/64/408810264.db2.gz JAULYSPKPJLDTM-MRXNPFEDSA-N 0 1 318.417 1.779 10 0 DDAEMN O=C(COCCOc1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000195057773 408810268 /nfs/dbraw/zinc/81/02/68/408810268.db2.gz JAULYSPKPJLDTM-MRXNPFEDSA-N 0 1 318.417 1.779 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000262319296 163806319 /nfs/dbraw/zinc/80/63/19/163806319.db2.gz QBUULCAWRFOLIL-WCQYABFASA-N 0 1 310.394 1.633 10 0 DDAEMN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1c(Br)cnn1C ZINC000294766188 409302225 /nfs/dbraw/zinc/30/22/25/409302225.db2.gz BLVIYUPYZNJVNE-SECBINFHSA-N 0 1 315.215 1.206 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3ccc(OC)c(O)c3)CCO2)n[nH]1 ZINC000129173448 196025845 /nfs/dbraw/zinc/02/58/45/196025845.db2.gz RSLYVGUBYAVUDL-CQSZACIVSA-N 0 1 318.377 1.655 10 0 DDAEMN CCCn1c(C)cc(C(=O)CN2CCO[C@H](CN(C)C)C2)c1C ZINC000131512498 196176569 /nfs/dbraw/zinc/17/65/69/196176569.db2.gz NQBPRZCDJBHJEF-MRXNPFEDSA-N 0 1 321.465 1.960 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)CCO2)n[nH]1 ZINC000367074040 418557117 /nfs/dbraw/zinc/55/71/17/418557117.db2.gz WDHWHLIUWCEPJL-MRBYEJRBSA-N 0 1 308.382 1.081 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193071478 222142765 /nfs/dbraw/zinc/14/27/65/222142765.db2.gz LWSDKMFBTLGUKK-NSHDSACASA-N 0 1 310.785 1.274 10 0 DDAEMN COc1n[nH]c(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)n1 ZINC000299753601 229397923 /nfs/dbraw/zinc/39/79/23/229397923.db2.gz YTABVYOUCHXZTG-QMMMGPOBSA-N 0 1 304.354 1.403 10 0 DDAEMN CC[C@H]1CN(C(=O)/C=C\c2ccc(O)cc2)CCN1CCOC ZINC000492591523 420599826 /nfs/dbraw/zinc/59/98/26/420599826.db2.gz MTJBDSUTWPEJOF-HWYHOQROSA-N 0 1 318.417 1.975 10 0 DDAEMN COC[C@H](N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000262300369 274050100 /nfs/dbraw/zinc/05/01/00/274050100.db2.gz NVEXHKSOWUGLDK-LBPRGKRZSA-N 0 1 303.189 1.852 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000174085917 276445726 /nfs/dbraw/zinc/44/57/26/276445726.db2.gz RJWQBPLRXISMRF-CYBMUJFWSA-N 0 1 322.434 1.687 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262508155 279343107 /nfs/dbraw/zinc/34/31/07/279343107.db2.gz OLPJYFWTGGWWMM-KBPBESRZSA-N 0 1 313.442 1.113 10 0 DDAEMN COC(=O)c1ccc(N2CCC(c3nc[nH]n3)CC2)nc1C ZINC000301974313 534185060 /nfs/dbraw/zinc/18/50/60/534185060.db2.gz VJSWKPQUFQCVPV-UHFFFAOYSA-N 0 1 301.350 1.679 10 0 DDAEMN CC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000122749815 696724575 /nfs/dbraw/zinc/72/45/75/696724575.db2.gz WFGVSJLKTGCREP-CQSZACIVSA-N 0 1 310.419 1.507 10 0 DDAEMN CC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000122749815 696724576 /nfs/dbraw/zinc/72/45/76/696724576.db2.gz WFGVSJLKTGCREP-CQSZACIVSA-N 0 1 310.419 1.507 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000220618280 697755537 /nfs/dbraw/zinc/75/55/37/697755537.db2.gz QSFJIWMUHOOEAW-SECBINFHSA-N 0 1 311.345 1.631 10 0 DDAEMN CC[C@H]1CC(=O)N(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000245878473 698339944 /nfs/dbraw/zinc/33/99/44/698339944.db2.gz RVMJFDCQFHOPHD-JKSUJKDBSA-N 0 1 319.453 1.823 10 0 DDAEMN C[N@H+]1CC[C@H](C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000250571041 698399899 /nfs/dbraw/zinc/39/98/99/698399899.db2.gz DVHLQSPPSRYHHD-ZIAGYGMSSA-N 0 1 306.362 1.708 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCCOC(C)C)C1 ZINC000263225277 698497138 /nfs/dbraw/zinc/49/71/38/698497138.db2.gz ZVGLOVRVNKITLM-UHFFFAOYSA-N 0 1 300.399 1.245 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCC(C)(C)C2)C1 ZINC000263466751 698508392 /nfs/dbraw/zinc/50/83/92/698508392.db2.gz KFMLSZYPCAYKPP-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN CC(C)C(CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)C(C)C ZINC000263528663 698511973 /nfs/dbraw/zinc/51/19/73/698511973.db2.gz VIYRRWFHPCNDHB-CQSZACIVSA-N 0 1 300.443 1.632 10 0 DDAEMN CC(C)C(C[N@@H+]1CCO[C@H](CN(C)CC(=O)[O-])C1)C(C)C ZINC000263528663 698511975 /nfs/dbraw/zinc/51/19/75/698511975.db2.gz VIYRRWFHPCNDHB-CQSZACIVSA-N 0 1 300.443 1.632 10 0 DDAEMN CC(C)C(C[N@H+]1CCO[C@H](CN(C)CC(=O)[O-])C1)C(C)C ZINC000263528663 698511978 /nfs/dbraw/zinc/51/19/78/698511978.db2.gz VIYRRWFHPCNDHB-CQSZACIVSA-N 0 1 300.443 1.632 10 0 DDAEMN Cc1nc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]c1C ZINC000709006908 699251447 /nfs/dbraw/zinc/25/14/47/699251447.db2.gz XEBOHJHZSQZPGY-OLZOCXBDSA-N 0 1 324.425 1.344 10 0 DDAEMN O=C(c1cscc1C(F)F)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000717224833 699286287 /nfs/dbraw/zinc/28/62/87/699286287.db2.gz PAOGBCNLGHJCLY-MNOVXSKESA-N 0 1 302.346 1.889 10 0 DDAEMN Cc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNc3nc(C)nc(C)c3F)C2)n1 ZINC000856774190 704538142 /nfs/dbraw/zinc/53/81/42/704538142.db2.gz OSEDEAKDKPRLNP-QJPTWQEYSA-N 0 1 320.372 1.626 10 0 DDAEMN Cc1nnc([C@@H]2C[C@@H](O)[C@@H](CNc3nc(C)nc(C)c3F)C2)[nH]1 ZINC000856774190 704538143 /nfs/dbraw/zinc/53/81/43/704538143.db2.gz OSEDEAKDKPRLNP-QJPTWQEYSA-N 0 1 320.372 1.626 10 0 DDAEMN CO[C@@H]1CN(c2ccnc(C)c2Cl)C[C@H]1c1cn(C)nn1 ZINC000886080537 708694561 /nfs/dbraw/zinc/69/45/61/708694561.db2.gz XYNCKYRFNONCSZ-GXFFZTMASA-N 0 1 307.785 1.791 10 0 DDAEMN Cc1noc(C[C@@]2(O)CCCN(Cc3c(C)n[nH]c3C)C2)n1 ZINC000888076975 709209619 /nfs/dbraw/zinc/20/96/19/709209619.db2.gz APGHVFKUVCCZFI-HNNXBMFYSA-N 0 1 305.382 1.288 10 0 DDAEMN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nn[nH]n3)cc2n1C ZINC000900395886 709575465 /nfs/dbraw/zinc/57/54/65/709575465.db2.gz LPYREPAMXDYDAF-LBPRGKRZSA-N 0 1 311.349 1.372 10 0 DDAEMN CCc1csc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)n1 ZINC000910732894 710058579 /nfs/dbraw/zinc/05/85/79/710058579.db2.gz FXINDXZFHMXIKM-RKDXNWHRSA-N 0 1 305.407 1.806 10 0 DDAEMN CCc1csc([C@@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)n1 ZINC000910732894 710058584 /nfs/dbraw/zinc/05/85/84/710058584.db2.gz FXINDXZFHMXIKM-RKDXNWHRSA-N 0 1 305.407 1.806 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)SC)CCN1C[C@@H](C)O ZINC000248504261 282087988 /nfs/dbraw/zinc/08/79/88/282087988.db2.gz VJNYCMPQHDRRCB-FRRDWIJNSA-N 0 1 303.472 1.225 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)CSC)CCN1C[C@H](C)O ZINC000248504957 282088053 /nfs/dbraw/zinc/08/80/53/282088053.db2.gz VWIJGVRLOAHECD-RWMBFGLXSA-N 0 1 303.472 1.225 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CCN1C[C@H](C)O ZINC000248457871 282085068 /nfs/dbraw/zinc/08/50/68/282085068.db2.gz PIJURTFBKKVNCA-SLEUVZQESA-N 0 1 322.453 1.434 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248482379 282087142 /nfs/dbraw/zinc/08/71/42/282087142.db2.gz ITLLLAJPRAIHTB-UONOGXRCSA-N 0 1 321.421 1.540 10 0 DDAEMN COc1ccc(C)cc1[C@@H](O)CN[C@H](C)CS(C)(=O)=O ZINC000081902960 192336597 /nfs/dbraw/zinc/33/65/97/192336597.db2.gz PCZUPBHOKKNGKH-YPMHNXCESA-N 0 1 301.408 1.060 10 0 DDAEMN CCCN[C@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCO2 ZINC000081925517 192339555 /nfs/dbraw/zinc/33/95/55/192339555.db2.gz RSRAHUDVGUFTSV-CYBMUJFWSA-N 0 1 313.419 1.933 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306315 185164263 /nfs/dbraw/zinc/16/42/63/185164263.db2.gz PMZQPGRITPOPIM-QWHCGFSZSA-N 0 1 324.421 1.896 10 0 DDAEMN O=c1[nH]c2ccc(S(=O)(=O)Nc3cncc(F)c3)cc2o1 ZINC000082356143 185177501 /nfs/dbraw/zinc/17/75/01/185177501.db2.gz MGOCVZDRPNVEPL-UHFFFAOYSA-N 0 1 309.278 1.456 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)c2nccn3ccnc23)n[nH]1 ZINC000328665412 231296341 /nfs/dbraw/zinc/29/63/41/231296341.db2.gz CDYYSTXRJRVHKN-LLVKDONJSA-N 0 1 311.349 1.523 10 0 DDAEMN CC(C)[C@@H](CNC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000087502376 185227137 /nfs/dbraw/zinc/22/71/37/185227137.db2.gz GMUFKMHADPWZRH-CYBMUJFWSA-N 0 1 301.431 1.763 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@@H]1CCCc2ccccc2[C@H]1N ZINC000081974820 192347870 /nfs/dbraw/zinc/34/78/70/192347870.db2.gz FSTNLMCMLQMKFN-UKRRQHHQSA-N 0 1 311.403 1.369 10 0 DDAEMN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178690327 539232812 /nfs/dbraw/zinc/23/28/12/539232812.db2.gz RKTDJGNODDHDBC-NVXWUHKLSA-N 0 1 320.437 1.006 10 0 DDAEMN CCc1nc(S(=O)(=O)N2CCNCC23CCCCC3)c[nH]1 ZINC000088396188 185248513 /nfs/dbraw/zinc/24/85/13/185248513.db2.gz QIPSMFZBPMGWGD-UHFFFAOYSA-N 0 1 312.439 1.269 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)o1 ZINC000088543811 185256933 /nfs/dbraw/zinc/25/69/33/185256933.db2.gz BHNBCPXCMFVCME-NSHDSACASA-N 0 1 302.396 1.187 10 0 DDAEMN CO[C@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540614 185255716 /nfs/dbraw/zinc/25/57/16/185255716.db2.gz CWUHVSGMYDMEQU-RYUDHWBXSA-N 0 1 302.396 1.187 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000088884268 185268728 /nfs/dbraw/zinc/26/87/28/185268728.db2.gz HYZOOCBCBQMDII-VXGBXAGGSA-N 0 1 313.423 1.411 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1ccccc1C ZINC000088886019 185268981 /nfs/dbraw/zinc/26/89/81/185268981.db2.gz DHBCJAZMUFAQPK-UHFFFAOYSA-N 0 1 309.391 1.340 10 0 DDAEMN CC[N@@H+](C)CCn1c(SCC(=O)[O-])nc2c1nccc2C ZINC000092549883 185325393 /nfs/dbraw/zinc/32/53/93/185325393.db2.gz SUTKEMAGEWXJJW-UHFFFAOYSA-N 0 1 308.407 1.868 10 0 DDAEMN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780453 185340185 /nfs/dbraw/zinc/34/01/85/185340185.db2.gz FCVXIYBGRMXADC-CYBMUJFWSA-N 0 1 304.781 1.736 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1c1nn[nH]n1 ZINC000616623796 362761650 /nfs/dbraw/zinc/76/16/50/362761650.db2.gz HMSSWPPKCRGIBD-LLVKDONJSA-N 0 1 310.402 1.642 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@@H]1c1nnn[n-]1 ZINC000616623796 362761656 /nfs/dbraw/zinc/76/16/56/362761656.db2.gz HMSSWPPKCRGIBD-LLVKDONJSA-N 0 1 310.402 1.642 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@@H]1c1nnn[n-]1 ZINC000616623796 362761664 /nfs/dbraw/zinc/76/16/64/362761664.db2.gz HMSSWPPKCRGIBD-LLVKDONJSA-N 0 1 310.402 1.642 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2nnc[nH]2)C1 ZINC000616678442 362777596 /nfs/dbraw/zinc/77/75/96/362777596.db2.gz GDWUYYFPHXHXJX-NSHDSACASA-N 0 1 311.386 1.093 10 0 DDAEMN CCSc1ccccc1NS(=O)(=O)c1c(N)ncn1C ZINC000070085930 190857535 /nfs/dbraw/zinc/85/75/35/190857535.db2.gz XILLTCNGJQWFSF-UHFFFAOYSA-N 0 1 312.420 1.915 10 0 DDAEMN CCN[C@H](C[S@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035808 192396355 /nfs/dbraw/zinc/39/63/55/192396355.db2.gz DSMFIHBNOUSVDU-SZNDQCEHSA-N 0 1 315.435 1.750 10 0 DDAEMN Cn1cnnc1SCCNC(=O)c1n[nH]c2ccccc21 ZINC000044158666 352380436 /nfs/dbraw/zinc/38/04/36/352380436.db2.gz UYSVVMUNBUTEPA-UHFFFAOYSA-N 0 1 302.363 1.214 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@H]3c3ccccn3)[C@@H](O)[C@@H]2O1 ZINC000106385123 353939451 /nfs/dbraw/zinc/93/94/51/353939451.db2.gz BROBLMZLNSWKNT-CQJMVSDSSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccccn3)[C@@H](O)[C@@H]2O1 ZINC000106385123 353939455 /nfs/dbraw/zinc/93/94/55/353939455.db2.gz BROBLMZLNSWKNT-CQJMVSDSSA-N 0 1 320.389 1.456 10 0 DDAEMN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC000220575650 354313911 /nfs/dbraw/zinc/31/39/11/354313911.db2.gz AALMYQWVPCEJJG-STQMWFEESA-N 0 1 319.405 1.625 10 0 DDAEMN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC000220575581 354314096 /nfs/dbraw/zinc/31/40/96/354314096.db2.gz AALMYQWVPCEJJG-OLZOCXBDSA-N 0 1 319.405 1.625 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2cn[nH]c2)n1 ZINC000080869160 192197284 /nfs/dbraw/zinc/19/72/84/192197284.db2.gz XNQSXOVIRIEFAQ-ZETCQYMHSA-N 0 1 301.397 1.338 10 0 DDAEMN CCNc1ncc(S(=O)(=O)NC[C@@H](C)N(C)C)cc1Cl ZINC000081693727 192314625 /nfs/dbraw/zinc/31/46/25/192314625.db2.gz XLSHVACIIUYQMN-SECBINFHSA-N 0 1 320.846 1.395 10 0 DDAEMN CNCc1c(C)oc(C)c1S(=O)(=O)N1CCCO[C@@H](C)C1 ZINC000089027364 192706590 /nfs/dbraw/zinc/70/65/90/192706590.db2.gz VJHDPBIWUHXXHV-JTQLQIEISA-N 0 1 316.423 1.415 10 0 DDAEMN O=C(NC1CN(C(=O)c2ccc(O)c(Cl)c2)C1)C1CCC1 ZINC000188536277 200263427 /nfs/dbraw/zinc/26/34/27/200263427.db2.gz HAVXWEVIGWPBKG-UHFFFAOYSA-N 0 1 308.765 1.786 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000174093164 306685475 /nfs/dbraw/zinc/68/54/75/306685475.db2.gz DHIOKQXJDTVCLF-DLBZAZTESA-N 0 1 322.449 1.123 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000262557103 203329084 /nfs/dbraw/zinc/32/90/84/203329084.db2.gz PSUBKCRZHWDSQQ-CHWSQXEVSA-N 0 1 316.323 1.655 10 0 DDAEMN Cc1cc(NC(=O)[C@H]2CNCCO2)ncc1Br ZINC000094063533 193342423 /nfs/dbraw/zinc/34/24/23/193342423.db2.gz HUIIIOUWTXQGJE-SECBINFHSA-N 0 1 300.156 1.079 10 0 DDAEMN CCCN1CCC(O)([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094639140 193387661 /nfs/dbraw/zinc/38/76/61/193387661.db2.gz TWJQOAIYSGEQHK-KBPBESRZSA-N 0 1 303.468 1.827 10 0 DDAEMN Cc1cc([NH2+]CC(C)(C)S(C)(=O)=O)cc(C(=O)[O-])c1N ZINC000094695978 193391880 /nfs/dbraw/zinc/39/18/80/193391880.db2.gz UEZZTBRYISBFBR-UHFFFAOYSA-N 0 1 300.380 1.511 10 0 DDAEMN CC(C)[C@H]1CN2CCCC[C@@H]2CN1CCCS(C)(=O)=O ZINC000094434202 193369642 /nfs/dbraw/zinc/36/96/42/193369642.db2.gz QQORWBJYYWFIPX-HUUCEWRRSA-N 0 1 302.484 1.616 10 0 DDAEMN COc1ccc(OCc2nc(CC(=O)NC(C)(C)C)n[nH]2)cc1 ZINC000040359145 183056257 /nfs/dbraw/zinc/05/62/57/183056257.db2.gz KJCQDAGHULUEQM-UHFFFAOYSA-N 0 1 318.377 1.850 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2c(N)ccc(C)c2C)C1 ZINC000040501897 183083782 /nfs/dbraw/zinc/08/37/82/183083782.db2.gz DZXKXACLDQQRJE-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN CC(C)(NCc1cc2c(c(Br)c1)OCO2)C(N)=O ZINC000040674439 183116067 /nfs/dbraw/zinc/11/60/67/183116067.db2.gz DORGTPOJGGIGOH-UHFFFAOYSA-N 0 1 315.167 1.531 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2F)cn1 ZINC000041071208 183162119 /nfs/dbraw/zinc/16/21/19/183162119.db2.gz FWZPUUTYUDPUKW-UHFFFAOYSA-N 0 1 317.733 1.356 10 0 DDAEMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1ccc(F)c(F)c1F ZINC000042717874 183301542 /nfs/dbraw/zinc/30/15/42/183301542.db2.gz SEEMAMGFQSRISI-UHFFFAOYSA-N 0 1 304.268 1.839 10 0 DDAEMN COc1ccc(Cl)c(NC(=O)[C@H](N)CCS(C)(=O)=O)c1 ZINC000043318610 183354083 /nfs/dbraw/zinc/35/40/83/183354083.db2.gz RPVHCYMJKBIODB-SNVBAGLBSA-N 0 1 320.798 1.049 10 0 DDAEMN CCN(CC)C(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802650 194132084 /nfs/dbraw/zinc/13/20/84/194132084.db2.gz DBCGIPLKBKFIGI-CQSZACIVSA-N 0 1 305.426 1.246 10 0 DDAEMN CC[C@@H]1CN(Cc2ccoc2C(=O)OC)CCN1CCOC ZINC000105836572 194143312 /nfs/dbraw/zinc/14/33/12/194143312.db2.gz OXFJMXVYRIDPKX-CQSZACIVSA-N 0 1 310.394 1.609 10 0 DDAEMN CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000106403251 194207997 /nfs/dbraw/zinc/20/79/97/194207997.db2.gz PQNUQRBEWYFMCH-GFCCVEGCSA-N 0 1 312.797 1.574 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000109460780 194265827 /nfs/dbraw/zinc/26/58/27/194265827.db2.gz JQWNGWBGNLKNIA-ZDUSSCGKSA-N 0 1 309.410 1.648 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(C(N)=S)cc2)CCN1C ZINC000110753213 194357039 /nfs/dbraw/zinc/35/70/39/194357039.db2.gz PVJUOXFISWBBDG-CQSZACIVSA-N 0 1 305.447 1.416 10 0 DDAEMN CN(Cc1nc2c(cnn2C)c(Cl)n1)C[C@H]1CCCOC1 ZINC000111162557 194397224 /nfs/dbraw/zinc/39/72/24/194397224.db2.gz KDPIDFQMRNJPQV-SNVBAGLBSA-N 0 1 309.801 1.875 10 0 DDAEMN C[C@@H](c1cccc(Cl)c1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000062014497 184201601 /nfs/dbraw/zinc/20/16/01/184201601.db2.gz QYBHVOHEULKQHL-TVYUQYBPSA-N 0 1 302.827 1.457 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1N ZINC000062975730 184264007 /nfs/dbraw/zinc/26/40/07/184264007.db2.gz AMDIBNWXVXUWGH-CYBMUJFWSA-N 0 1 309.435 1.436 10 0 DDAEMN CS(=O)(=O)CCC[N@@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000063016115 184266909 /nfs/dbraw/zinc/26/69/09/184266909.db2.gz OMWPYAKVJOWSKT-LLVKDONJSA-N 0 1 303.405 1.167 10 0 DDAEMN CS(=O)(=O)CCC[N@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000063016115 184266911 /nfs/dbraw/zinc/26/69/11/184266911.db2.gz OMWPYAKVJOWSKT-LLVKDONJSA-N 0 1 303.405 1.167 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)Nc1ccc(OCC)cc1)N(C)C ZINC000119708847 195023708 /nfs/dbraw/zinc/02/37/08/195023708.db2.gz FZUMWTJHOCZAAG-OAHLLOKOSA-N 0 1 321.421 1.870 10 0 DDAEMN COCCNC(=O)[C@@H]1CO[C@@H]2CCN(Cc3ccoc3)C[C@@H]2C1 ZINC000247832843 257116136 /nfs/dbraw/zinc/11/61/36/257116136.db2.gz ICSFAZXGPQDRGN-HRCADAONSA-N 0 1 322.405 1.269 10 0 DDAEMN O=C(NC1CC1)[C@@H]1CO[C@@H]2CCN(Cc3ccoc3)C[C@@H]2C1 ZINC000247753146 257118372 /nfs/dbraw/zinc/11/83/72/257118372.db2.gz VQRPWQHCGBMTKB-OFQRWUPVSA-N 0 1 304.390 1.785 10 0 DDAEMN COc1ccc([C@H](C)N[C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137279 406684138 /nfs/dbraw/zinc/68/41/38/406684138.db2.gz YVHZKFGOEZWPJQ-AAEUAGOBSA-N 0 1 313.419 1.932 10 0 DDAEMN C=Cc1oc2cccc(O)c2c(=O)c1C(C(=O)OC)C(=O)OC ZINC000014611608 406876504 /nfs/dbraw/zinc/87/65/04/406876504.db2.gz CJFIRBOMWZKLHJ-UHFFFAOYSA-N 0 1 318.281 1.571 10 0 endogenous,in-man DDAEMN C=Cc1oc2cccc(=O)c-2c(O)c1C(C(=O)OC)C(=O)OC ZINC000014611608 406876509 /nfs/dbraw/zinc/87/65/09/406876509.db2.gz CJFIRBOMWZKLHJ-UHFFFAOYSA-N 0 1 318.281 1.571 10 0 endogenous,in-man DDAEMN CC(C)(C)OC(=O)N1CC[C@H](CNCC(=O)c2cnccn2)C1 ZINC000095083955 407206326 /nfs/dbraw/zinc/20/63/26/407206326.db2.gz OCJPWUKGKIGKSI-GFCCVEGCSA-N 0 1 320.393 1.506 10 0 DDAEMN O=C([C@H]1CCCc2[nH]ncc21)N1CC[C@H](Oc2cccnc2)C1 ZINC000123172360 407321618 /nfs/dbraw/zinc/32/16/18/407321618.db2.gz MDXJTSISQTYJCU-KBPBESRZSA-N 0 1 312.373 1.905 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000122654526 407307577 /nfs/dbraw/zinc/30/75/77/407307577.db2.gz KSJFPNGDEKMBLF-TZMCWYRMSA-N 0 1 320.437 1.634 10 0 DDAEMN CCCC[C@H](C(=O)OC)N1CCN(CCOC)[C@H](CC)C1 ZINC000105914387 407357441 /nfs/dbraw/zinc/35/74/41/407357441.db2.gz YHZPLFIBILROJO-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN CS[C@H](CO)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000126235793 407409353 /nfs/dbraw/zinc/40/93/53/407409353.db2.gz YECWJHQEZWXSRB-BPLDGKMQSA-N 0 1 310.463 1.388 10 0 DDAEMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCC(C)CC1 ZINC000126868347 407423297 /nfs/dbraw/zinc/42/32/97/407423297.db2.gz QQVYAJZAEJYOON-ZDUSSCGKSA-N 0 1 305.426 1.524 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1F ZINC000113305398 407492705 /nfs/dbraw/zinc/49/27/05/407492705.db2.gz VTXNLNVEEIHRKP-WDEREUQCSA-N 0 1 316.373 1.822 10 0 DDAEMN COc1ccc(CCNC(=O)[C@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240190 407441163 /nfs/dbraw/zinc/44/11/63/407441163.db2.gz OPDXYRYPOCBBCU-LBPRGKRZSA-N 0 1 300.362 1.277 10 0 DDAEMN COc1ccc(CCNC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240190 407441165 /nfs/dbraw/zinc/44/11/65/407441165.db2.gz OPDXYRYPOCBBCU-LBPRGKRZSA-N 0 1 300.362 1.277 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)N1CCCc2ccccc21)N(C)C ZINC000178653191 407531838 /nfs/dbraw/zinc/53/18/38/407531838.db2.gz AZYIJYVELSMBFT-MRXNPFEDSA-N 0 1 317.433 1.812 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185897550 407533471 /nfs/dbraw/zinc/53/34/71/407533471.db2.gz KXQDVFAFTQHWGL-PWSUYJOCSA-N 0 1 301.350 1.591 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000131025508 407716370 /nfs/dbraw/zinc/71/63/70/407716370.db2.gz XCOZUNCSJKYBMW-YVARQFDVSA-N 0 1 323.824 1.663 10 0 DDAEMN CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116295780 407741504 /nfs/dbraw/zinc/74/15/04/407741504.db2.gz PCXAGGXTSUDRPD-HUUCEWRRSA-N 0 1 305.422 1.969 10 0 DDAEMN O=S(=O)(c1cccc(F)c1F)N1CCN2CCC[C@@H]2C1 ZINC000171770490 407763753 /nfs/dbraw/zinc/76/37/53/407763753.db2.gz VHZOXUPZBIUYGS-SNVBAGLBSA-N 0 1 302.346 1.434 10 0 DDAEMN CCC[C@@H](C(=O)N1CC[S@](=O)C(CC)(CC)C1)N(C)C ZINC000186784399 407769455 /nfs/dbraw/zinc/76/94/55/407769455.db2.gz FWJRKWDVPZNPIZ-RBZFPXEDSA-N 0 1 302.484 1.866 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000262275399 407781456 /nfs/dbraw/zinc/78/14/56/407781456.db2.gz KZRSMGDOWZKDFB-IUODEOHRSA-N 0 1 308.422 1.841 10 0 DDAEMN C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000133056685 407816466 /nfs/dbraw/zinc/81/64/66/407816466.db2.gz KOIYUWIOELSOTI-JTQLQIEISA-N 0 1 313.195 1.931 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376355 407817455 /nfs/dbraw/zinc/81/74/55/407817455.db2.gz XGISTVHRAHURKQ-JOYOIKCWSA-N 0 1 304.312 1.726 10 0 DDAEMN COC[C@H](N)C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC000262392227 407822338 /nfs/dbraw/zinc/82/23/38/407822338.db2.gz YXKRPRNKWGLXHW-LBPRGKRZSA-N 0 1 310.394 1.071 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262549004 407862011 /nfs/dbraw/zinc/86/20/11/407862011.db2.gz UMISDXJNNGICIT-UONOGXRCSA-N 0 1 313.442 1.018 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000262544705 407862900 /nfs/dbraw/zinc/86/29/00/407862900.db2.gz NUWBRWZKRGBVJV-LLVKDONJSA-N 0 1 306.391 1.350 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000262576354 407871307 /nfs/dbraw/zinc/87/13/07/407871307.db2.gz TVCGEMIYCWDDPU-NWDGAFQWSA-N 0 1 312.341 1.296 10 0 DDAEMN COCCOc1c(Cl)cccc1NC(=O)[C@@H](N)COC ZINC000262587378 407874065 /nfs/dbraw/zinc/87/40/65/407874065.db2.gz VPEJQYDIOYJLCQ-JTQLQIEISA-N 0 1 302.758 1.277 10 0 DDAEMN CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262737795 407913129 /nfs/dbraw/zinc/91/31/29/407913129.db2.gz CIOCHACFAQLEQH-OPRDCNLKSA-N 0 1 324.343 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)C2(c3ccccc3)CC2)C1 ZINC000262703763 407904596 /nfs/dbraw/zinc/90/45/96/407904596.db2.gz IVTNHTXIUAXMDI-UHFFFAOYSA-N 0 1 316.401 1.772 10 0 DDAEMN CCC[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)N(C)C ZINC000134955791 407954180 /nfs/dbraw/zinc/95/41/80/407954180.db2.gz SRQLHZKTZBAELA-CYBMUJFWSA-N 0 1 313.423 1.727 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(C)s2)C1 ZINC000262844355 407956150 /nfs/dbraw/zinc/95/61/50/407956150.db2.gz VGQISHAGHGRDFS-UHFFFAOYSA-N 0 1 310.419 1.653 10 0 DDAEMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]1 ZINC000262745253 407915103 /nfs/dbraw/zinc/91/51/03/407915103.db2.gz ACGICIXKQMKDLG-SFYZADRCSA-N 0 1 308.325 1.523 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)CC[C@H]2CCCO2)C1 ZINC000262755589 407916951 /nfs/dbraw/zinc/91/69/51/407916951.db2.gz YVSZTFBYPZUMDL-YMAMQOFZSA-N 0 1 324.421 1.389 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NC(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000175345060 408109157 /nfs/dbraw/zinc/10/91/57/408109157.db2.gz MOCSHZGNOWJMBC-LBPRGKRZSA-N 0 1 305.382 1.385 10 0 DDAEMN C[C@@H](C(=O)[O-])[N@@H+](CCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000263368231 408122394 /nfs/dbraw/zinc/12/23/94/408122394.db2.gz WXPINCLOQVQFKQ-JTQLQIEISA-N 0 1 302.330 1.220 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000246253468 408194263 /nfs/dbraw/zinc/19/42/63/408194263.db2.gz SUMZKJWSPZGHMN-BXUZGUMPSA-N 0 1 300.399 1.833 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CCc3ccoc3)CCO2)n[nH]1 ZINC000175448743 408132647 /nfs/dbraw/zinc/13/26/47/408132647.db2.gz GFVNSYFVRZIAMQ-LBPRGKRZSA-N 0 1 304.350 1.493 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000246084804 408138131 /nfs/dbraw/zinc/13/81/31/408138131.db2.gz ICKDCMLVTXKRSC-NEPJUHHUSA-N 0 1 324.402 1.273 10 0 DDAEMN C[C@@]1(C(=O)[O-])CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000263435223 408138584 /nfs/dbraw/zinc/13/85/84/408138584.db2.gz VBFJGUMXCPLIBE-IAQYHMDHSA-N 0 1 306.366 1.369 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCC3(C)CCCC3)CCO2)n[nH]1 ZINC000175520541 408151836 /nfs/dbraw/zinc/15/18/36/408151836.db2.gz QNAPISZOWZZGBK-GFCCVEGCSA-N 0 1 307.398 1.776 10 0 DDAEMN COc1cccc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263499946 408157277 /nfs/dbraw/zinc/15/72/77/408157277.db2.gz KOQWXAOKUPZWTA-UHFFFAOYSA-N 0 1 319.405 1.507 10 0 DDAEMN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)Cc2cccc(OC)n2)C1 ZINC000263509623 408159260 /nfs/dbraw/zinc/15/92/60/408159260.db2.gz MZTJPCNZVIZWLF-LRVUVFPRSA-N 0 1 321.421 1.548 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)Cc2cccc(OC)n2)C1 ZINC000263509623 408159263 /nfs/dbraw/zinc/15/92/63/408159263.db2.gz MZTJPCNZVIZWLF-LRVUVFPRSA-N 0 1 321.421 1.548 10 0 DDAEMN Cc1ccc(S(=O)(=O)CCCN2CCN3CCC[C@H]3C2)cc1 ZINC000246168193 408161186 /nfs/dbraw/zinc/16/11/86/408161186.db2.gz VCZVXPJCIAXTOO-INIZCTEOSA-N 0 1 322.474 1.939 10 0 DDAEMN CCCc1cccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000263519325 408162704 /nfs/dbraw/zinc/16/27/04/408162704.db2.gz QGAAQELVYIZVSF-QGZVFWFLSA-N 0 1 320.433 1.856 10 0 DDAEMN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@H+](C[C@@H](C)Cc1ccccc1)C2 ZINC000263532477 408164724 /nfs/dbraw/zinc/16/47/24/408164724.db2.gz XGVZOAMOKWHDKU-WFASDCNBSA-N 0 1 314.389 1.734 10 0 DDAEMN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@@H+](C[C@@H](C)Cc1ccccc1)C2 ZINC000263532477 408164729 /nfs/dbraw/zinc/16/47/29/408164729.db2.gz XGVZOAMOKWHDKU-WFASDCNBSA-N 0 1 314.389 1.734 10 0 DDAEMN CC(=O)[C@@H](C)CCCCC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000155619986 408189732 /nfs/dbraw/zinc/18/97/32/408189732.db2.gz DLUWBYAKAPSZGT-FZMZJTMJSA-N 0 1 322.409 1.799 10 0 DDAEMN C[C@H](N[C@H](CO)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000182928397 408286829 /nfs/dbraw/zinc/28/68/29/408286829.db2.gz ZXLGFJNTIHPGCT-WCQYABFASA-N 0 1 307.394 1.322 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(=O)OC)c2ccccc2)CCN1C[C@@H](C)O ZINC000246679536 408314484 /nfs/dbraw/zinc/31/44/84/408314484.db2.gz IZCBTYGRAWXFOW-DJIMGWMZSA-N 0 1 320.433 1.678 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000183148606 408335441 /nfs/dbraw/zinc/33/54/41/408335441.db2.gz ITLLLAJPRAIHTB-ZIAGYGMSSA-N 0 1 321.421 1.540 10 0 DDAEMN COc1ccccc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246815499 408348067 /nfs/dbraw/zinc/34/80/67/408348067.db2.gz BZIHEKVFWZNNNB-QWHCGFSZSA-N 0 1 312.435 1.702 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000171552676 162223464 /nfs/dbraw/zinc/22/34/64/162223464.db2.gz OURVPSFBEULOCJ-STQMWFEESA-N 0 1 305.426 1.656 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000173459337 162341212 /nfs/dbraw/zinc/34/12/12/162341212.db2.gz SXTBPINSEYZNKX-PBHICJAKSA-N 0 1 323.481 1.164 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)CCO2)n[nH]1 ZINC000173536522 162346898 /nfs/dbraw/zinc/34/68/98/162346898.db2.gz PYNZOMBDHVWBCU-SWLSCSKDSA-N 0 1 314.389 1.892 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)OCCC(C)C)CCO2)n[nH]1 ZINC000173576652 162349595 /nfs/dbraw/zinc/34/95/95/162349595.db2.gz PODFOUBOJSIGRB-CHWSQXEVSA-N 0 1 324.425 1.718 10 0 DDAEMN COc1ccc(CCN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173676252 162355575 /nfs/dbraw/zinc/35/55/75/162355575.db2.gz MTNOCYIBLPKCSL-OAHLLOKOSA-N 0 1 302.378 1.738 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C)c2ccccc2)CCN1C[C@H](C)O ZINC000247095373 408405000 /nfs/dbraw/zinc/40/50/00/408405000.db2.gz HXLAMDSJZWAXPY-HOTGVXAUSA-N 0 1 319.449 1.426 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N[C@H](C)CC)C[C@H]1CC ZINC000247109146 408410550 /nfs/dbraw/zinc/41/05/50/408410550.db2.gz IWXHASWNLNSWCD-BZUAXINKSA-N 0 1 313.486 1.722 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)CCN1C[C@H](C)O ZINC000247123450 408412381 /nfs/dbraw/zinc/41/23/81/408412381.db2.gz JVDHLCFIZQKRSU-ARFHVFGLSA-N 0 1 313.486 1.314 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)CCOC)CCN1CCOC ZINC000247128968 408412942 /nfs/dbraw/zinc/41/29/42/408412942.db2.gz OLEXNFBUYNRMQM-ZIAGYGMSSA-N 0 1 301.431 1.164 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3nccn3-c3ccccc3)CCO2)n[nH]1 ZINC000191425845 408423107 /nfs/dbraw/zinc/42/31/07/408423107.db2.gz JFGXXQCXDHHRCE-OAHLLOKOSA-N 0 1 324.388 1.872 10 0 DDAEMN CCN(C(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000247215411 408430466 /nfs/dbraw/zinc/43/04/66/408430466.db2.gz QBDITYWMPCOEHA-JKSUJKDBSA-N 0 1 319.449 1.426 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000176762489 408436009 /nfs/dbraw/zinc/43/60/09/408436009.db2.gz UAIFHYHYDSIZQD-ZBFHGGJFSA-N 0 1 315.417 1.039 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cc3F)CCO2)n[nH]1 ZINC000176949176 408481057 /nfs/dbraw/zinc/48/10/57/408481057.db2.gz GCMFISUBYGDFPH-LBPRGKRZSA-N 0 1 323.303 1.997 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccncc3F)CCO2)n[nH]1 ZINC000184131350 408554603 /nfs/dbraw/zinc/55/46/03/408554603.db2.gz YJHRINZDBANPKN-NSHDSACASA-N 0 1 320.328 1.507 10 0 DDAEMN Cc1cccc(S(=O)(=O)CCCN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248632607 408602457 /nfs/dbraw/zinc/60/24/57/408602457.db2.gz RSTNJJUUJDEGIJ-INIZCTEOSA-N 0 1 322.474 1.939 10 0 DDAEMN Cc1cccc(S(=O)(=O)CCCN2CCN3CCC[C@H]3C2)c1 ZINC000248632607 408602462 /nfs/dbraw/zinc/60/24/62/408602462.db2.gz RSTNJJUUJDEGIJ-INIZCTEOSA-N 0 1 322.474 1.939 10 0 DDAEMN CC[C@@H]1CN(C(=O)C(C)(C)CCOC)CCN1C[C@@H](C)O ZINC000185239022 408785347 /nfs/dbraw/zinc/78/53/47/408785347.db2.gz GLMCQRODKGTFEG-ZIAGYGMSSA-N 0 1 300.443 1.353 10 0 DDAEMN CC(C)N1CCC[C@@H](N2CC[C@H](Oc3cccnc3)C2)C1=O ZINC000177961898 408745419 /nfs/dbraw/zinc/74/54/19/408745419.db2.gz MMNVAQNYWOZRCP-JKSUJKDBSA-N 0 1 303.406 1.934 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(SC)cc2)C1 ZINC000194152330 408769572 /nfs/dbraw/zinc/76/95/72/408769572.db2.gz SYPNCFXIFJSBGN-CYBMUJFWSA-N 0 1 321.446 1.948 10 0 DDAEMN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(-c2nnc[nH]2)cc1 ZINC000186050013 162959471 /nfs/dbraw/zinc/95/94/71/162959471.db2.gz XEQFKVLJBNCJAU-GFCCVEGCSA-N 0 1 309.333 1.328 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(Br)o2)CC1 ZINC000191346448 163182707 /nfs/dbraw/zinc/18/27/07/163182707.db2.gz POZYEXSWTIUUNC-NSHDSACASA-N 0 1 317.227 1.931 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2ccccc2)C1 ZINC000262932632 163894224 /nfs/dbraw/zinc/89/42/24/163894224.db2.gz BKUDCNACKUOYIR-GRTSSRMGSA-N 0 1 304.390 1.844 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](SC)C2)C1 ZINC000263494990 163975325 /nfs/dbraw/zinc/97/53/25/163975325.db2.gz SMLGZPMSAJTXNE-MCIGGMRASA-N 0 1 315.439 1.071 10 0 DDAEMN NC(=O)c1cncc(NCCc2nc3ccc(F)cc3[nH]2)n1 ZINC000301717458 410779594 /nfs/dbraw/zinc/77/95/94/410779594.db2.gz KVYVIVDVOMCTGA-UHFFFAOYSA-N 0 1 300.297 1.246 10 0 DDAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCO[C@@H](c2nccs2)C1 ZINC000134321081 196378912 /nfs/dbraw/zinc/37/89/12/196378912.db2.gz KRUQFDQPYKRDFL-ZWNOBZJWSA-N 0 1 318.402 1.886 10 0 DDAEMN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000360702165 418495204 /nfs/dbraw/zinc/49/52/04/418495204.db2.gz ZOMJIQLVFLGIPO-BMFZPTHFSA-N 0 1 309.454 1.622 10 0 DDAEMN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192506899 418524148 /nfs/dbraw/zinc/52/41/48/418524148.db2.gz OXWIDVKJOPPGSV-NWDGAFQWSA-N 0 1 312.435 1.655 10 0 DDAEMN NC(=O)[C@@H]1CN(CCOc2ccccc2F)C[C@H]1C(F)(F)F ZINC000299743642 229382228 /nfs/dbraw/zinc/38/22/28/229382228.db2.gz LXKIUUSBPYURDE-NXEZZACHSA-N 0 1 320.286 1.800 10 0 DDAEMN O=C(N1CCC[C@@](O)(c2c[nH]nn2)C1)C1(c2ccccc2)CC1 ZINC000583618995 422204530 /nfs/dbraw/zinc/20/45/30/422204530.db2.gz RTEWPVBLLBPSCP-KRWDZBQOSA-N 0 1 312.373 1.347 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CC=CCC2)[N@@H+]1Cc1ccccc1 ZINC000630662713 422250095 /nfs/dbraw/zinc/25/00/95/422250095.db2.gz FUCMDACBMONOTH-HOTGVXAUSA-N 0 1 314.385 1.893 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CC=CCC2)[N@H+]1Cc1ccccc1 ZINC000630662713 422250097 /nfs/dbraw/zinc/25/00/97/422250097.db2.gz FUCMDACBMONOTH-HOTGVXAUSA-N 0 1 314.385 1.893 10 0 DDAEMN C[C@@H](O)C1CCN(C(=O)[C@H](N)[C@H](C)OCc2ccccc2)CC1 ZINC000637975478 422522780 /nfs/dbraw/zinc/52/27/80/422522780.db2.gz NRSUJHPTWMMINE-JKIFEVAISA-N 0 1 320.433 1.538 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@H]1C ZINC000182002243 263371979 /nfs/dbraw/zinc/37/19/79/263371979.db2.gz GYFZKWKEXYKPFD-VXGBXAGGSA-N 0 1 319.380 1.834 10 0 DDAEMN CC(C)[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1CCCC1=O ZINC000195188707 280151677 /nfs/dbraw/zinc/15/16/77/280151677.db2.gz OKQGBNZRIJJOBH-GDBMZVCRSA-N 0 1 307.438 1.330 10 0 DDAEMN C[C@H]1COC[C@H](C)N1CCC(=O)NC(=O)NCc1ccccc1 ZINC000077368028 280978776 /nfs/dbraw/zinc/97/87/76/280978776.db2.gz BDNYTXBJTQBJNW-KBPBESRZSA-N 0 1 319.405 1.512 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cnc3n[nH]nc3c2)n[nH]1 ZINC000328691300 293365062 /nfs/dbraw/zinc/36/50/62/293365062.db2.gz REKUPKGDELBVLT-NSHDSACASA-N 0 1 312.337 1.147 10 0 DDAEMN CN1CC[C@H]([N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423157 300394139 /nfs/dbraw/zinc/39/41/39/300394139.db2.gz OYJGFHSBAWPSBO-KOLCDFICSA-N 0 1 316.327 1.839 10 0 DDAEMN CN1CC[C@H](N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423157 300394141 /nfs/dbraw/zinc/39/41/41/300394141.db2.gz OYJGFHSBAWPSBO-KOLCDFICSA-N 0 1 316.327 1.839 10 0 DDAEMN Cc1cc(F)cc(C)c1S(=O)(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262739225 301301459 /nfs/dbraw/zinc/30/14/59/301301459.db2.gz BGLNBKUMURYSBP-NWDGAFQWSA-N 0 1 300.399 1.813 10 0 DDAEMN COCCN1CCN(Cc2ccc(OC(C)=O)cc2)C[C@H]1C ZINC000123089320 696728483 /nfs/dbraw/zinc/72/84/83/696728483.db2.gz UUTLJSCVVXBRGO-CQSZACIVSA-N 0 1 306.406 1.764 10 0 DDAEMN CCCn1cc(NC(=O)N2CCN(CCOC)[C@@H](CC)C2)cn1 ZINC000174147892 697385244 /nfs/dbraw/zinc/38/52/44/697385244.db2.gz SSAPRZYXUFZNFD-HNNXBMFYSA-N 0 1 323.441 1.868 10 0 DDAEMN COc1ccc([C@H](C)NCC(=O)N2CCO[C@H](C)C2)cc1OC ZINC000180884028 697453319 /nfs/dbraw/zinc/45/33/19/697453319.db2.gz KVAFNVJOPPXKNW-OLZOCXBDSA-N 0 1 322.405 1.602 10 0 DDAEMN CCc1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc(=O)[nH]1 ZINC000182672896 697478086 /nfs/dbraw/zinc/47/80/86/697478086.db2.gz KMMCEZSDGXEUPS-GFCCVEGCSA-N 0 1 301.350 1.423 10 0 DDAEMN C[C@H]1C(=O)NCCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000189092547 697571078 /nfs/dbraw/zinc/57/10/78/697571078.db2.gz OIONLWGKVPQDJX-AWEZNQCLSA-N 0 1 300.406 1.747 10 0 DDAEMN CCN(CC)c1nc(C)cc(C(=O)N[C@@H]2CN3CCC2CC3)n1 ZINC000222567236 697757729 /nfs/dbraw/zinc/75/77/29/697757729.db2.gz CWHGCMUSJZMYNQ-OAHLLOKOSA-N 0 1 317.437 1.455 10 0 DDAEMN O[C@@H](CN1CCC[C@@H](n2cncn2)C1)c1ccc(F)c(F)c1 ZINC000247009628 698359265 /nfs/dbraw/zinc/35/92/65/698359265.db2.gz BZMKGHUNLPVUSN-DOMZBBRYSA-N 0 1 308.332 1.927 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(COC)o2)C1 ZINC000262687787 698478097 /nfs/dbraw/zinc/47/80/97/698478097.db2.gz BDWCFTKGMGOYAL-UHFFFAOYSA-N 0 1 310.350 1.093 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000262709788 698478506 /nfs/dbraw/zinc/47/85/06/698478506.db2.gz LEATWTMJAGADGE-UHFFFAOYSA-N 0 1 321.377 1.071 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccsc2)C1 ZINC000262881714 698483324 /nfs/dbraw/zinc/48/33/24/698483324.db2.gz BBVHIIPCFSFWOB-UHFFFAOYSA-N 0 1 311.407 1.485 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2CCCCC2)C1 ZINC000263061681 698489880 /nfs/dbraw/zinc/48/98/80/698489880.db2.gz SBLMDRKPLUWSJN-UHFFFAOYSA-N 0 1 311.426 1.803 10 0 DDAEMN C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000263559566 698513428 /nfs/dbraw/zinc/51/34/28/698513428.db2.gz QLRZDECPEIRIMI-STQMWFEESA-N 0 1 304.390 1.971 10 0 DDAEMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000309688639 698665596 /nfs/dbraw/zinc/66/55/96/698665596.db2.gz UFLLYFLPYZIUKD-AEFFLSMTSA-N 0 1 321.417 1.997 10 0 DDAEMN COc1ccc2c(c1)[C@@H](C(=O)N1CCC[C@@H]1c1nn[nH]n1)CC2 ZINC000900391259 709571456 /nfs/dbraw/zinc/57/14/56/709571456.db2.gz BYPIBOKLUCZDIC-GXTWGEPZSA-N 0 1 313.361 1.602 10 0 DDAEMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCOC[C@@H]1CO ZINC000912423210 711323565 /nfs/dbraw/zinc/32/35/65/711323565.db2.gz VGPYIPWADWQXNM-JTQLQIEISA-N 0 1 321.764 1.563 10 0 DDAEMN C[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nc(C)cc(=O)[n-]1)OCCO2 ZINC000081868717 192332768 /nfs/dbraw/zinc/33/27/68/192332768.db2.gz OMNWMJHSKUYOKR-MNOVXSKESA-N 0 1 311.407 1.054 10 0 DDAEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ncc[nH]1 ZINC000078820422 185115583 /nfs/dbraw/zinc/11/55/83/185115583.db2.gz DDNKWTLISQEJRR-WDEREUQCSA-N 0 1 307.375 1.449 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3cccnc3)CC2)CCO1 ZINC000079427346 185171271 /nfs/dbraw/zinc/17/12/71/185171271.db2.gz WTOQYQRYFLANJS-CYBMUJFWSA-N 0 1 304.394 1.799 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)N1CCN2CCC[C@H]2C1 ZINC000249603845 282183218 /nfs/dbraw/zinc/18/32/18/282183218.db2.gz QYGQBDYHIWMAPR-ZDUSSCGKSA-N 0 1 310.419 1.472 10 0 DDAEMN CC(C)[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1[O-] ZINC000087403449 185223931 /nfs/dbraw/zinc/22/39/31/185223931.db2.gz XIQBSGPMDWHTHE-SNVBAGLBSA-N 0 1 301.184 1.868 10 0 DDAEMN CCc1nsc(N2CCC([N@H+]3CCC[C@H]3C(=O)[O-])CC2)n1 ZINC000087633431 185229909 /nfs/dbraw/zinc/22/99/09/185229909.db2.gz YRINSPIZNHMSSC-NSHDSACASA-N 0 1 310.423 1.618 10 0 DDAEMN N[C@]1(C(=O)Nc2ccc(Br)c(F)c2)CCOC1 ZINC000088083778 185239058 /nfs/dbraw/zinc/23/90/58/185239058.db2.gz BQEGIXUYJGRKKX-LLVKDONJSA-N 0 1 303.131 1.645 10 0 DDAEMN CO[C@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540613 185255626 /nfs/dbraw/zinc/25/56/26/185255626.db2.gz CWUHVSGMYDMEQU-NEPJUHHUSA-N 0 1 302.396 1.187 10 0 DDAEMN CCC(=O)Nc1ccc(Cl)c(NC(=O)CNCCOC)c1 ZINC000092495357 185322292 /nfs/dbraw/zinc/32/22/92/185322292.db2.gz LVXJCSIGONVGJX-UHFFFAOYSA-N 0 1 313.785 1.863 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000092672412 185332914 /nfs/dbraw/zinc/33/29/14/185332914.db2.gz PGCAKYFBDAKFMU-AWEZNQCLSA-N 0 1 311.451 1.833 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(CO)cc1 ZINC000092678347 185333285 /nfs/dbraw/zinc/33/32/85/185333285.db2.gz GPMBQPNGSBXRCL-AWEZNQCLSA-N 0 1 312.435 1.284 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(N)c(F)cc1F ZINC000092621946 185329943 /nfs/dbraw/zinc/32/99/43/185329943.db2.gz QVJUGWUIXMMPIX-SECBINFHSA-N 0 1 319.377 1.262 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622098 185330051 /nfs/dbraw/zinc/33/00/51/185330051.db2.gz OAKWWOZKKAYNPU-GFCCVEGCSA-N 0 1 301.387 1.123 10 0 DDAEMN CNC(=O)c1ccc([C@H]2CCCCN2CCn2cccn2)n1C ZINC000328642043 529944530 /nfs/dbraw/zinc/94/45/30/529944530.db2.gz QUFXRUNSVYSPQQ-OAHLLOKOSA-N 0 1 315.421 1.808 10 0 DDAEMN Cc1cc(S(=O)(=O)N(CCN(C)C)CC(C)C)ccc1N ZINC000070439457 190893012 /nfs/dbraw/zinc/89/30/12/190893012.db2.gz CJXVVOJIZXSIFE-UHFFFAOYSA-N 0 1 313.467 1.786 10 0 DDAEMN O=S(=O)(NCCCc1nc[nH]n1)c1ccccc1Cl ZINC000080589855 192170576 /nfs/dbraw/zinc/17/05/76/192170576.db2.gz CLGBOHUHAOKXJE-UHFFFAOYSA-N 0 1 300.771 1.369 10 0 DDAEMN CCN[C@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035804 192396032 /nfs/dbraw/zinc/39/60/32/192396032.db2.gz DSMFIHBNOUSVDU-SPLOXXLWSA-N 0 1 315.435 1.750 10 0 DDAEMN O=C([O-])[C@H]1CCC[N@H+](Cc2nc3cc4c(cc3[nH]2)OCCO4)C1 ZINC000071665622 191001881 /nfs/dbraw/zinc/00/18/81/191001881.db2.gz XROMQZXXSRMTPG-JTQLQIEISA-N 0 1 317.345 1.631 10 0 DDAEMN O=C([O-])[C@H]1CCC[N@@H+](Cc2nc3cc4c(cc3[nH]2)OCCO4)C1 ZINC000071665622 191001883 /nfs/dbraw/zinc/00/18/83/191001883.db2.gz XROMQZXXSRMTPG-JTQLQIEISA-N 0 1 317.345 1.631 10 0 DDAEMN Oc1cccc(CN[C@H]2CCOC[C@H]2O)c1Br ZINC000623767496 366045444 /nfs/dbraw/zinc/04/54/44/366045444.db2.gz XBJOZPTUOCDUSW-GXSJLCMTSA-N 0 1 302.168 1.394 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCOc2ccccc2)C[C@H]1C ZINC000174301861 198317471 /nfs/dbraw/zinc/31/74/71/198317471.db2.gz OZQGXNFHDILUFF-HZPDHXFCSA-N 0 1 320.433 1.759 10 0 DDAEMN COC(=O)CCN1CCN(Cc2nccn2C(C)C)[C@H](C)C1 ZINC000182104719 199387528 /nfs/dbraw/zinc/38/75/28/199387528.db2.gz MMPPFGHFMFGHNS-CQSZACIVSA-N 0 1 308.426 1.533 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000174333547 198321154 /nfs/dbraw/zinc/32/11/54/198321154.db2.gz IEYQQCKSRPKBTM-ZDUSSCGKSA-N 0 1 322.409 1.858 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH]1 ZINC000174408447 198331782 /nfs/dbraw/zinc/33/17/82/198331782.db2.gz UYZFOGNFBDKDQW-UWVGGRQHSA-N 0 1 309.370 1.745 10 0 DDAEMN COC(=O)C[C@H](NC(=O)c1ccc(CN)o1)c1ccccc1 ZINC000150782210 354177632 /nfs/dbraw/zinc/17/76/32/354177632.db2.gz SQZQURNUFUZPSS-ZDUSSCGKSA-N 0 1 302.330 1.773 10 0 DDAEMN Cc1oc(=O)oc1COC(=O)c1[nH]cnc1[C@H](C)CC(C)(C)O ZINC000147227035 354164435 /nfs/dbraw/zinc/16/44/35/354164435.db2.gz SIZDFHNODXDKBY-MRVPVSSYSA-N 0 1 324.333 1.886 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1C[C@H](C)O ZINC000246885031 354362342 /nfs/dbraw/zinc/36/23/42/354362342.db2.gz ORUJZWQPYDYNNN-SWLSCSKDSA-N 0 1 322.453 1.263 10 0 DDAEMN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1ccc2[nH]nnc2c1 ZINC000328616003 354546685 /nfs/dbraw/zinc/54/66/85/354546685.db2.gz BIDAGVUDYBTEKE-LLVKDONJSA-N 0 1 310.361 1.489 10 0 DDAEMN CN1C(=O)CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 ZINC000074934989 191390338 /nfs/dbraw/zinc/39/03/38/191390338.db2.gz GARUOUXDQXGSDQ-UHFFFAOYSA-N 0 1 318.358 1.186 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)NC1 ZINC000080097594 192001007 /nfs/dbraw/zinc/00/10/07/192001007.db2.gz COXSLPDJUNXKEQ-QWRGUYRKSA-N 0 1 308.325 1.787 10 0 DDAEMN O=C1NCC[C@H]1NCc1ccc(I)cc1 ZINC000594961824 356364584 /nfs/dbraw/zinc/36/45/84/356364584.db2.gz JHKSNCBIODGKCE-SNVBAGLBSA-N 0 1 316.142 1.269 10 0 DDAEMN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447821 201053172 /nfs/dbraw/zinc/05/31/72/201053172.db2.gz YXSJKVOFEPFMAZ-WRWORJQWSA-N 0 1 308.325 1.523 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000090953094 192964074 /nfs/dbraw/zinc/96/40/74/192964074.db2.gz CJSJQKLUGIWQGY-UWVGGRQHSA-N 0 1 311.407 1.880 10 0 DDAEMN Cc1nc(N)sc1-c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686011 193091060 /nfs/dbraw/zinc/09/10/60/193091060.db2.gz PJNSEGPDWGWVPW-RKDXNWHRSA-N 0 1 307.379 1.619 10 0 DDAEMN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000245458823 284022346 /nfs/dbraw/zinc/02/23/46/284022346.db2.gz KSAUDMXDKCWVFI-ZNMIVQPWSA-N 0 1 308.422 1.663 10 0 DDAEMN CCC[C@H]([NH3+])C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000262643556 203363694 /nfs/dbraw/zinc/36/36/94/203363694.db2.gz IJXQHZLMWWQKQY-JTQLQIEISA-N 0 1 315.395 1.133 10 0 DDAEMN CC(C)Cc1nc2c(n1CC(C)(C)S(C)(=O)=O)CCNC2 ZINC000093525644 193264055 /nfs/dbraw/zinc/26/40/55/193264055.db2.gz YCBQHCIJFZCQRA-UHFFFAOYSA-N 0 1 313.467 1.551 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2c(C)cc(N)cc2C)n[nH]1 ZINC000093648890 193285315 /nfs/dbraw/zinc/28/53/15/193285315.db2.gz IPOUOGTWPHLWKK-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093853095 193318373 /nfs/dbraw/zinc/31/83/73/193318373.db2.gz KPFTWKYWSUJFMG-RNCFNFMXSA-N 0 1 314.411 1.058 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+]2CCSC[C@@H]2CC(=O)[O-])C1 ZINC000094638412 193387854 /nfs/dbraw/zinc/38/78/54/193387854.db2.gz NTBKUWSLWDSOLW-SDDRHHMPSA-N 0 1 321.464 1.234 10 0 DDAEMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638310 193387928 /nfs/dbraw/zinc/38/79/28/193387928.db2.gz DQPOGIJFPGPLQX-DYEKYZERSA-N 0 1 303.424 1.529 10 0 DDAEMN CC(C)[C@@H]1CN2CCCC[C@@H]2CN1[C@@H]1CCCS(=O)(=O)C1 ZINC000094434748 193370377 /nfs/dbraw/zinc/37/03/77/193370377.db2.gz CWKUKOSFGMMPTG-OAGGEKHMSA-N 0 1 314.495 1.758 10 0 DDAEMN CCN(C)CCNS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000094787361 193398734 /nfs/dbraw/zinc/39/87/34/193398734.db2.gz QMKYMFPZWVFHMQ-UHFFFAOYSA-N 0 1 307.419 1.652 10 0 DDAEMN Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2F)c(N)nn1C ZINC000097830198 193762072 /nfs/dbraw/zinc/76/20/72/193762072.db2.gz UXMNGMMLVJJVMZ-UHFFFAOYSA-N 0 1 318.761 1.904 10 0 DDAEMN CN(Cc1ccco1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024949391 182396367 /nfs/dbraw/zinc/39/63/67/182396367.db2.gz WGCBWFQJBLTFCE-LBPRGKRZSA-N 0 1 314.341 1.369 10 0 DDAEMN Cc1ccc2nc(N3CCN(S(=O)(=O)C(C)C)CC3)[nH]c2c1 ZINC000038554597 183002526 /nfs/dbraw/zinc/00/25/26/183002526.db2.gz BJTBYGZUNHOTDQ-UHFFFAOYSA-N 0 1 322.434 1.732 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000040503090 183084255 /nfs/dbraw/zinc/08/42/55/183084255.db2.gz RUBYTPHPCQQYNF-SNVBAGLBSA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000040503090 183084257 /nfs/dbraw/zinc/08/42/57/183084257.db2.gz RUBYTPHPCQQYNF-SNVBAGLBSA-N 0 1 318.420 1.209 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1ccc(Cl)s1)N1CCNCC1 ZINC000040508031 183085379 /nfs/dbraw/zinc/08/53/79/183085379.db2.gz ZXNUQRQBFDGCIT-LBPRGKRZSA-N 0 1 313.854 1.798 10 0 DDAEMN Cc1ccc(S(=O)(=O)NCCN2CCC(C)CC2)c(N)c1 ZINC000040771166 183131743 /nfs/dbraw/zinc/13/17/43/183131743.db2.gz YHGGFVSVUMLONL-UHFFFAOYSA-N 0 1 311.451 1.587 10 0 DDAEMN Nc1cc(N)nc(SCC(=O)Nc2ccc(Cl)c(N)c2)n1 ZINC000041023429 183156893 /nfs/dbraw/zinc/15/68/93/183156893.db2.gz NMPFNCUBXZOPNQ-UHFFFAOYSA-N 0 1 324.797 1.607 10 0 DDAEMN CCCN(C)S(=O)(=O)c1cc(Br)c[nH]c1=NN ZINC000041070044 183162465 /nfs/dbraw/zinc/16/24/65/183162465.db2.gz BTRLQFJQIPTUJI-UHFFFAOYSA-N 0 1 323.216 1.160 10 0 DDAEMN Cn1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)nn1 ZINC000041511778 183196040 /nfs/dbraw/zinc/19/60/40/183196040.db2.gz PHSBLFUOJCBAML-OAHLLOKOSA-N 0 1 317.368 1.521 10 0 DDAEMN COc1ccc([C@H](Sc2nc(N)cc(=O)[n-]2)[C@H](C)[NH3+])cc1 ZINC000042965244 183324106 /nfs/dbraw/zinc/32/41/06/183324106.db2.gz BKCFXJNCSRRNNP-ISVAXAHUSA-N 0 1 306.391 1.541 10 0 DDAEMN CCOC(=O)[C@](C)(N)CCCn1cc(Br)cn1 ZINC000045437144 183507651 /nfs/dbraw/zinc/50/76/51/183507651.db2.gz FWOHRKYFLCQSLP-LLVKDONJSA-N 0 1 304.188 1.706 10 0 DDAEMN CC(C)Oc1ccccc1C(=O)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284647553 218115516 /nfs/dbraw/zinc/11/55/16/218115516.db2.gz PEANQJGRNZTXAK-INIZCTEOSA-N 0 1 316.361 1.326 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CCN1CCOC ZINC000105836749 194141807 /nfs/dbraw/zinc/14/18/07/194141807.db2.gz AOVSUXRPEUPWQW-LSDHHAIUSA-N 0 1 313.486 1.722 10 0 DDAEMN CC[C@@H]1CN(Cc2noc(C(C)(C)C)n2)CCN1CCOC ZINC000105836955 194143779 /nfs/dbraw/zinc/14/37/79/194143779.db2.gz ZHIRPRMQFLRSDR-CYBMUJFWSA-N 0 1 310.442 1.910 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(Cc3cccnc3)CC2)C1 ZINC000105845914 194145806 /nfs/dbraw/zinc/14/58/06/194145806.db2.gz CCHPNONCOWSWMN-GOSISDBHSA-N 0 1 318.465 1.308 10 0 DDAEMN COC(=O)CCS(=O)(=O)Nc1ccc(Br)cn1 ZINC000105870006 194150948 /nfs/dbraw/zinc/15/09/48/194150948.db2.gz IFGRXKXJSLSAIT-UHFFFAOYSA-N 0 1 323.168 1.149 10 0 DDAEMN Cc1cccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c1C ZINC000105932653 194173531 /nfs/dbraw/zinc/17/35/31/194173531.db2.gz REYZIVIBOKVZPV-LSDHHAIUSA-N 0 1 305.422 1.551 10 0 DDAEMN COc1ncccc1CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106430197 194212426 /nfs/dbraw/zinc/21/24/26/194212426.db2.gz XHACDMUIUVOXPQ-INIZCTEOSA-N 0 1 313.401 1.879 10 0 DDAEMN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CN2CCN(C)CC2)o1 ZINC000106520377 194223543 /nfs/dbraw/zinc/22/35/43/194223543.db2.gz AKXNUMVYKFBKRB-TZMCWYRMSA-N 0 1 308.426 1.584 10 0 DDAEMN Cc1cc(N2CCN([C@H](C)C(N)=S)CC2)nc(C(C)C)n1 ZINC000109471175 194267313 /nfs/dbraw/zinc/26/73/13/194267313.db2.gz YFVHGHXRTSYAFN-GFCCVEGCSA-N 0 1 307.467 1.705 10 0 DDAEMN O=S1(=O)CC[C@@H](NCc2ccc(O)c(Br)c2)C1 ZINC000058055306 184072369 /nfs/dbraw/zinc/07/23/69/184072369.db2.gz JUOLXRIUFQMWFT-SECBINFHSA-N 0 1 320.208 1.431 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1N ZINC000061642641 184180327 /nfs/dbraw/zinc/18/03/27/184180327.db2.gz WPHCRSTUBAYTCQ-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN Cn1ncc2c1nc(CSc1nc(N)cc(N)n1)nc2Cl ZINC000063079098 184269775 /nfs/dbraw/zinc/26/97/75/184269775.db2.gz NVMRKLJKDOWEQM-UHFFFAOYSA-N 0 1 322.785 1.263 10 0 DDAEMN O=C1CCc2c1c(=O)oc1c3c(cc(O)c21)O[C@H]1OCC[C@@H]31 ZINC000065734118 296331908 /nfs/dbraw/zinc/33/19/08/296331908.db2.gz XJKCZCKWXTXPRZ-HYORBCNSSA-N 0 1 300.266 1.850 10 0 in-vitro DDAEMN C[C@@H](O)CN1CCN(Cc2c(Cl)nc3ccccn32)C[C@H]1C ZINC000120581004 195194470 /nfs/dbraw/zinc/19/44/70/195194470.db2.gz LRFACUFXNHUZQL-CHWSQXEVSA-N 0 1 322.840 1.875 10 0 DDAEMN C[N@H+]1C[C@H]2CN(C(=O)Cc3ccccc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248026056 257110644 /nfs/dbraw/zinc/11/06/44/257110644.db2.gz LMKMSGORFICZFM-MAUKXSAKSA-N 0 1 316.401 1.484 10 0 DDAEMN CC(=O)N1CCO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000247956593 257112684 /nfs/dbraw/zinc/11/26/84/257112684.db2.gz TVJOPHNKDPBSEQ-YOEHRIQHSA-N 0 1 318.373 1.094 10 0 DDAEMN O=C(NCC1CC1)[C@@H]1CC[C@H]2[C@H](CCN2Cc2cccnc2)O1 ZINC000247465944 257119831 /nfs/dbraw/zinc/11/98/31/257119831.db2.gz CQQBNWIMJMLUFV-ULQDDVLXSA-N 0 1 315.417 1.730 10 0 DDAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123171809 407322061 /nfs/dbraw/zinc/32/20/61/407322061.db2.gz MDXJTSISQTYJCU-ZIAGYGMSSA-N 0 1 312.373 1.905 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(F)cc1O)CC2 ZINC000124104156 407348058 /nfs/dbraw/zinc/34/80/58/407348058.db2.gz AOCBFFKFWPCTQB-NSHDSACASA-N 0 1 318.352 1.991 10 0 DDAEMN CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3CCCC3)CC2)C1 ZINC000105845972 407355201 /nfs/dbraw/zinc/35/52/01/407355201.db2.gz VEMGQBLSZIWTPO-GOSISDBHSA-N 0 1 309.498 1.903 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000105836745 407355665 /nfs/dbraw/zinc/35/56/65/407355665.db2.gz WKBXFQIKSVOPHM-HRCADAONSA-N 0 1 313.486 1.722 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000105836745 407355667 /nfs/dbraw/zinc/35/56/67/407355667.db2.gz WKBXFQIKSVOPHM-HRCADAONSA-N 0 1 313.486 1.722 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NCC3CCC3)C2)n1 ZINC000108867822 407391509 /nfs/dbraw/zinc/39/15/09/407391509.db2.gz JNDOMTUBAXTNSV-INIZCTEOSA-N 0 1 319.453 1.523 10 0 DDAEMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000127554772 407439748 /nfs/dbraw/zinc/43/97/48/407439748.db2.gz AQKIPXKGZDSSJV-LBPRGKRZSA-N 0 1 310.361 1.707 10 0 DDAEMN O[C@@H](COCc1ccccc1)CN1CCOC2(CCOCC2)C1 ZINC000128414231 407533356 /nfs/dbraw/zinc/53/33/56/407533356.db2.gz AYUAKVKXRPIRFZ-QGZVFWFLSA-N 0 1 321.417 1.446 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000261547334 407541347 /nfs/dbraw/zinc/54/13/47/407541347.db2.gz MCZNFFGUWIUYRC-QGZVFWFLSA-N 0 1 314.385 1.856 10 0 DDAEMN Cc1noc([C@@H]2COCCN2C(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000186610904 407719622 /nfs/dbraw/zinc/71/96/22/407719622.db2.gz LEJYOWWTBZJOLV-LBPRGKRZSA-N 0 1 303.322 1.192 10 0 DDAEMN Cc1ccc2c(CN3C[C@@H](O)C[C@@H]3CO)cc(=O)oc2c1C ZINC000179182983 407746977 /nfs/dbraw/zinc/74/69/77/407746977.db2.gz BLWJBLCMXNWTQQ-KGLIPLIRSA-N 0 1 303.358 1.337 10 0 DDAEMN CC[C@@H](NC(=O)[C@@H](N)COC)c1nc(C(F)(F)F)cs1 ZINC000262214666 407766126 /nfs/dbraw/zinc/76/61/26/407766126.db2.gz FFIVLIBBRMIOFU-NKWVEPMBSA-N 0 1 311.329 1.703 10 0 DDAEMN COc1cccc(CN2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000171828586 407775076 /nfs/dbraw/zinc/77/50/76/407775076.db2.gz KDAJFNPFNNDZNR-UHFFFAOYSA-N 0 1 313.405 1.901 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000262270460 407779011 /nfs/dbraw/zinc/77/90/11/407779011.db2.gz KJSYLVAOWNNOEM-MRXNPFEDSA-N 0 1 306.406 1.210 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2occc2C)C1 ZINC000262946040 407980140 /nfs/dbraw/zinc/98/01/40/407980140.db2.gz AFMRWIFFSAUVEP-UHFFFAOYSA-N 0 1 323.393 1.667 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000262745683 407914433 /nfs/dbraw/zinc/91/44/33/407914433.db2.gz XHPCEMIVTIIEPD-UHFFFAOYSA-N 0 1 323.393 1.639 10 0 DDAEMN CC(=O)N[C@@H]1CCCN(Cc2cn(C)nc2-c2ccncc2)C1 ZINC000153926119 407933394 /nfs/dbraw/zinc/93/33/94/407933394.db2.gz SDWTUROLGACZDH-MRXNPFEDSA-N 0 1 313.405 1.583 10 0 DDAEMN CCc1ccc(CC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000174357101 407938066 /nfs/dbraw/zinc/93/80/66/407938066.db2.gz KABFREQAJOKHQH-HUUCEWRRSA-N 0 1 304.434 1.705 10 0 DDAEMN CN1CCO[C@H](CN[C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000245681483 408043421 /nfs/dbraw/zinc/04/34/21/408043421.db2.gz MRACXZWJEAOADP-HIFRSBDPSA-N 0 1 321.396 1.241 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262958745 407986243 /nfs/dbraw/zinc/98/62/43/407986243.db2.gz KLXNFTKXNPWERO-IVZWLZJFSA-N 0 1 310.316 1.438 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C)ccn2)C1 ZINC000262987316 407992999 /nfs/dbraw/zinc/99/29/99/407992999.db2.gz CXSGZXAEDDSOFS-UHFFFAOYSA-N 0 1 306.366 1.449 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000263218014 408062657 /nfs/dbraw/zinc/06/26/57/408062657.db2.gz XYGGQRZDJYKIFR-UHFFFAOYSA-N 0 1 324.352 1.502 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3cccc(F)c3)CCO2)n[nH]1 ZINC000175352438 408111641 /nfs/dbraw/zinc/11/16/41/408111641.db2.gz OSLQGYJNOZFNOV-CYBMUJFWSA-N 0 1 319.340 1.535 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cccn2C(C)C)CCN1C[C@H](C)O ZINC000246350334 408227687 /nfs/dbraw/zinc/22/76/87/408227687.db2.gz FINJUZFQSVXZLM-GJZGRUSLSA-N 0 1 307.438 1.986 10 0 DDAEMN COC(=O)c1coc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246509862 408276563 /nfs/dbraw/zinc/27/65/63/408276563.db2.gz QPSGUVAXKYDWLR-SWLSCSKDSA-N 0 1 308.378 1.219 10 0 DDAEMN CCc1ncsc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000151277133 408288671 /nfs/dbraw/zinc/28/86/71/408288671.db2.gz MOPJKNKBMXYWGT-SNVBAGLBSA-N 0 1 307.379 1.346 10 0 DDAEMN CCc1cnc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000190623945 408291010 /nfs/dbraw/zinc/29/10/10/408291010.db2.gz ZJOKZFBDYBKCKD-CMPLNLGQSA-N 0 1 324.450 1.489 10 0 DDAEMN C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1nnc2n1CCCC2 ZINC000135278639 162097521 /nfs/dbraw/zinc/09/75/21/162097521.db2.gz RTLJAZPPFHZKAE-QWRGUYRKSA-N 0 1 314.393 1.635 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCO[C@H](c2nccs2)C1 ZINC000139316109 162132242 /nfs/dbraw/zinc/13/22/42/162132242.db2.gz LXJKMBVBYNOXHP-LBPRGKRZSA-N 0 1 321.406 1.574 10 0 DDAEMN O=S(=O)(c1cc(F)cc(F)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770998 162241846 /nfs/dbraw/zinc/24/18/46/162241846.db2.gz OITHQUPKKCQTOY-GFCCVEGCSA-N 0 1 302.346 1.434 10 0 DDAEMN O=S(=O)(c1cc(F)cc(F)c1)N1CCN2CCC[C@@H]2C1 ZINC000171770998 162241849 /nfs/dbraw/zinc/24/18/49/162241849.db2.gz OITHQUPKKCQTOY-GFCCVEGCSA-N 0 1 302.346 1.434 10 0 DDAEMN O=C(CCCc1nc(C2CC2)no1)N1CCN2CCCC[C@@H]2C1 ZINC000172529110 162280465 /nfs/dbraw/zinc/28/04/65/162280465.db2.gz KPJMMLVLUSTLNZ-CQSZACIVSA-N 0 1 318.421 1.966 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)n[nH]1 ZINC000246916221 408366374 /nfs/dbraw/zinc/36/63/74/408366374.db2.gz IORZJGYTMSRECV-GJZGRUSLSA-N 0 1 302.378 1.090 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3cccs3)CCO2)n[nH]1 ZINC000173516768 162345014 /nfs/dbraw/zinc/34/50/14/162345014.db2.gz WBABISMWEMSVNV-ZYOFXKKJSA-N 0 1 304.375 1.788 10 0 DDAEMN COc1ccc(CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173541605 162346911 /nfs/dbraw/zinc/34/69/11/162346911.db2.gz ULSICPPANVDKLW-CQSZACIVSA-N 0 1 316.361 1.264 10 0 DDAEMN Cc1nc([C@H]2CN(CCOc3cccc(F)c3)CCO2)n[nH]1 ZINC000173680169 162354921 /nfs/dbraw/zinc/35/49/21/162354921.db2.gz VZEZQPDLMGKQQL-CQSZACIVSA-N 0 1 306.341 1.705 10 0 DDAEMN CCC(CC)CS(=O)(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173735153 162360200 /nfs/dbraw/zinc/36/02/00/162360200.db2.gz CLESNCWEEXSUIR-GFCCVEGCSA-N 0 1 316.427 1.252 10 0 DDAEMN COc1cccc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247338817 408454837 /nfs/dbraw/zinc/45/48/37/408454837.db2.gz FZHUJCIPOTUOQM-STQMWFEESA-N 0 1 307.394 1.614 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CCN1C[C@H](C)O ZINC000247057055 408395978 /nfs/dbraw/zinc/39/59/78/408395978.db2.gz YVRKTHGPTUIIDP-XHDPSFHLSA-N 0 1 312.360 1.882 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000247062024 408400140 /nfs/dbraw/zinc/40/01/40/408400140.db2.gz FZMKUOUXIYGUTE-HOTGVXAUSA-N 0 1 314.433 1.759 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177129855 408528579 /nfs/dbraw/zinc/52/85/79/408528579.db2.gz FSYFZVPQOIIHGJ-CHWSQXEVSA-N 0 1 324.421 1.516 10 0 DDAEMN COC(=O)N[C@@H](C(=O)Nc1cc(CN(C)C)ccn1)C(C)C ZINC000176908491 408473666 /nfs/dbraw/zinc/47/36/66/408473666.db2.gz QHSIBBBUEJKLPN-CYBMUJFWSA-N 0 1 308.382 1.462 10 0 DDAEMN CC(C)COc1cncc(N2CCN(C[C@H](C)O)C[C@@H]2C)n1 ZINC000248676299 408614254 /nfs/dbraw/zinc/61/42/54/408614254.db2.gz YYNDZTLMNYJPHU-KBPBESRZSA-N 0 1 308.426 1.403 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000248832303 408643646 /nfs/dbraw/zinc/64/36/46/408643646.db2.gz ISFVIOYCHUKKIH-BFHYXJOUSA-N 0 1 300.443 1.494 10 0 DDAEMN CCOC(=O)C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000177788163 408712770 /nfs/dbraw/zinc/71/27/70/408712770.db2.gz UDMFCUBFYYAREM-DZGCQCFKSA-N 0 1 306.406 1.617 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc3c[nH]nc32)C1 ZINC000262696746 163866080 /nfs/dbraw/zinc/86/60/80/163866080.db2.gz GNHXPHITSBQCNI-UHFFFAOYSA-N 0 1 316.361 1.230 10 0 DDAEMN O[C@@]1(c2cn[nH]n2)CCN(CCOc2ccc(Cl)cc2)C1 ZINC000284972442 409385119 /nfs/dbraw/zinc/38/51/19/409385119.db2.gz YGAIWYIYIOLDPS-AWEZNQCLSA-N 0 1 308.769 1.430 10 0 DDAEMN C[C@H](Nc1ncnc2[nH]cnc21)C(=O)N1CCc2ccccc21 ZINC000301180787 410673025 /nfs/dbraw/zinc/67/30/25/410673025.db2.gz NAXNZNZMNCKRME-JTQLQIEISA-N 0 1 308.345 1.743 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccc(O)cc3)CCO2)n[nH]1 ZINC000134016020 196353650 /nfs/dbraw/zinc/35/36/50/196353650.db2.gz QXIFNZKNWCEWBR-CYBMUJFWSA-N 0 1 316.361 1.215 10 0 DDAEMN C[C@@H](N[C@H](C)c1cccs1)C(=O)N(C)CC(=O)NC1CC1 ZINC000193222746 418530581 /nfs/dbraw/zinc/53/05/81/418530581.db2.gz QRMDGVNORXXTRS-GHMZBOCLSA-N 0 1 309.435 1.524 10 0 DDAEMN Cn1cc([C@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)cn1 ZINC000365845081 418915179 /nfs/dbraw/zinc/91/51/79/418915179.db2.gz VTBOYNHHBXVIPD-CQSZACIVSA-N 0 1 311.345 1.510 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)C1 ZINC000630655949 422247019 /nfs/dbraw/zinc/24/70/19/422247019.db2.gz GHOCKAAIUCKZFF-KBMXLJTQSA-N 0 1 316.401 1.973 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)C1 ZINC000630655949 422247023 /nfs/dbraw/zinc/24/70/23/422247023.db2.gz GHOCKAAIUCKZFF-KBMXLJTQSA-N 0 1 316.401 1.973 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N1CCS[C@@H](C)C1 ZINC000637981149 422528034 /nfs/dbraw/zinc/52/80/34/422528034.db2.gz XFOBXLZRFSOIPJ-KCQAQPDRSA-N 0 1 308.447 1.883 10 0 DDAEMN CO[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC000634694945 422554501 /nfs/dbraw/zinc/55/45/01/422554501.db2.gz NCYMZAIKBSLIGX-VYDXJSESSA-N 0 1 323.389 1.128 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)N(C)C1 ZINC000345091732 272170126 /nfs/dbraw/zinc/17/01/26/272170126.db2.gz SPNJWJDSUKOJSJ-BBRMVZONSA-N 0 1 319.380 1.685 10 0 DDAEMN CCOc1cccc(CCNC(=O)[C@@H]2C[C@H](OC)CN2C)c1 ZINC000345757374 272326991 /nfs/dbraw/zinc/32/69/91/272326991.db2.gz QULIKXHLPQCFDU-HOTGVXAUSA-N 0 1 306.406 1.463 10 0 DDAEMN O=C([C@@H]1COc2ccccc2C1)N1CCN2CCCC[C@@H]2C1 ZINC000195082198 275006527 /nfs/dbraw/zinc/00/65/27/275006527.db2.gz QLWNXLYOJKOFPI-JKSUJKDBSA-N 0 1 300.402 1.934 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246540449 276206618 /nfs/dbraw/zinc/20/66/18/276206618.db2.gz SQGBYDRGMCFVKX-QLFBSQMISA-N 0 1 311.470 1.332 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000118857337 276536831 /nfs/dbraw/zinc/53/68/31/276536831.db2.gz HEPRPHQXPJPOFJ-NVXWUHKLSA-N 0 1 319.449 1.080 10 0 DDAEMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247223881 279210892 /nfs/dbraw/zinc/21/08/92/279210892.db2.gz WJNFZMCRGOJUEP-YYIAUSFCSA-N 0 1 323.481 1.286 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccncc3)C2=O)n(C)n1 ZINC000174343701 280551584 /nfs/dbraw/zinc/55/15/84/280551584.db2.gz SBCGEPNPEAPBIP-DZGCQCFKSA-N 0 1 313.405 1.970 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000119011670 281088333 /nfs/dbraw/zinc/08/83/33/281088333.db2.gz ZERVTVHYDQCBPG-HUUCEWRRSA-N 0 1 314.470 1.621 10 0 DDAEMN CCc1noc([C@H](C)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1 ZINC000375438199 307226514 /nfs/dbraw/zinc/22/65/14/307226514.db2.gz NPDLARJXPCTASI-BCUIYNNISA-N 0 1 309.410 1.945 10 0 DDAEMN CCN1CCCN(C[C@@H]2CCO[C@H]2c2nccn2C)CC1=O ZINC000668042328 484923095 /nfs/dbraw/zinc/92/30/95/484923095.db2.gz PVFNWENXRYALHQ-DZGCQCFKSA-N 0 1 306.410 1.052 10 0 DDAEMN O=C(C[C@@H]1CCCCNC1=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000328790297 534688304 /nfs/dbraw/zinc/68/83/04/534688304.db2.gz QEYNAWOYVVAHDO-CABCVRRESA-N 0 1 323.437 1.314 10 0 DDAEMN O=S1(=O)CC[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000037873822 696134243 /nfs/dbraw/zinc/13/42/43/696134243.db2.gz VSZKSHVINJZCNZ-NEPJUHHUSA-N 0 1 323.336 1.516 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(-c3ccccc3Br)no2)C1 ZINC000131732310 696808551 /nfs/dbraw/zinc/80/85/51/696808551.db2.gz ZWKJRLUGPATIJF-GMSGAONNSA-N 0 1 310.151 1.894 10 0 DDAEMN CC[C@@H]1CN(CN2C(=O)C(C)(C)C2(C)C)CCN1CCOC ZINC000177688215 697415579 /nfs/dbraw/zinc/41/55/79/697415579.db2.gz DZIXCUBFKDOGKU-CQSZACIVSA-N 0 1 311.470 1.634 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C/C=C\Cl)CC2)C1 ZINC000255641950 698421969 /nfs/dbraw/zinc/42/19/69/698421969.db2.gz XQKWRYSPJQFGMK-ABCZVMIZSA-N 0 1 301.862 1.466 10 0 DDAEMN CCn1nc(C)c([C@H](C)NCCS(=O)(=O)C(C)C)c1C ZINC000313510152 698683097 /nfs/dbraw/zinc/68/30/97/698683097.db2.gz LWIKJXNXMCGXGP-NSHDSACASA-N 0 1 301.456 1.994 10 0 DDAEMN O=C([O-])[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC000701469940 699226884 /nfs/dbraw/zinc/22/68/84/699226884.db2.gz VTMGVWWDHSKBCZ-JZXOWHBKSA-N 0 1 319.401 1.751 10 0 DDAEMN Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@]3(C)C[C@@H](O)CN3C)C2)n1 ZINC000900604196 709673467 /nfs/dbraw/zinc/67/34/67/709673467.db2.gz RFTSDFSGABBRHE-INMHGKMJSA-N 0 1 320.437 1.119 10 0 DDAEMN Cc1csc(N2CCN(c3nc(C)cc(N)n3)C[C@H]2C)n1 ZINC000892352930 710421837 /nfs/dbraw/zinc/42/18/37/710421837.db2.gz QSWGREVNXHMEQD-LLVKDONJSA-N 0 1 304.423 1.847 10 0 DDAEMN O=C(c1cccc2nc(CO)[nH]c21)N1CCN2CCCC[C@@H]2C1 ZINC000906437166 712323808 /nfs/dbraw/zinc/32/38/08/712323808.db2.gz OQSOYXHSTCKTGJ-GFCCVEGCSA-N 0 1 314.389 1.366 10 0 DDAEMN N[C@H](c1sccc1Br)[C@H]1CN2CCN1CC2 ZINC000087570650 185228349 /nfs/dbraw/zinc/22/83/49/185228349.db2.gz AMHDPQZLIRNVRF-ZJUUUORDSA-N 0 1 302.241 1.510 10 0 DDAEMN C[N@@H+]([C@@H]1CCCS(=O)(=O)C1)C1(CC(=O)[O-])CCCCC1 ZINC000087572602 185228673 /nfs/dbraw/zinc/22/86/73/185228673.db2.gz NTLJELUROUHBSK-GFCCVEGCSA-N 0 1 303.424 1.673 10 0 DDAEMN COc1ccc(Br)c(CNC[C@H]2CCC(=O)N2)c1 ZINC000087788383 185231699 /nfs/dbraw/zinc/23/16/99/185231699.db2.gz CKCUBYNAJGQWIU-SNVBAGLBSA-N 0 1 313.195 1.826 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975527 192348092 /nfs/dbraw/zinc/34/80/92/192348092.db2.gz AOXYIYVLJOKVAG-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN CNCc1nnnn1-c1ccc(Cl)cc1Br ZINC000088123589 185240189 /nfs/dbraw/zinc/24/01/89/185240189.db2.gz NGUJHWNBIMRMOZ-UHFFFAOYSA-N 0 1 302.563 1.798 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@@H](c1ccccc1)C(C)C)C(C)C ZINC000183669149 539243071 /nfs/dbraw/zinc/24/30/71/539243071.db2.gz YGJNDFWRSZIEKM-IAGOWNOFSA-N 0 1 319.449 1.860 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)Cc1ccccc1C)C(C)C ZINC000183669391 539242983 /nfs/dbraw/zinc/24/29/83/539242983.db2.gz WSALKXMOZNTMQE-MRXNPFEDSA-N 0 1 305.422 1.314 10 0 DDAEMN COCCCN(C)S(=O)(=O)c1ccc(CNC(C)C)o1 ZINC000088550685 185257384 /nfs/dbraw/zinc/25/73/84/185257384.db2.gz ZTSWZEJQGBCCDC-UHFFFAOYSA-N 0 1 304.412 1.435 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cccc(CO)c1 ZINC000088873170 185267548 /nfs/dbraw/zinc/26/75/48/185267548.db2.gz SFVWZALIHCKGFO-UHFFFAOYSA-N 0 1 300.424 1.141 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(C)c2)CCN1C[C@@H](C)O ZINC000255145753 282237339 /nfs/dbraw/zinc/23/73/39/282237339.db2.gz SVLHENJWRDITHF-BZOVTKSESA-N 0 1 317.433 1.707 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(N)cs1 ZINC000092622720 185329970 /nfs/dbraw/zinc/32/99/70/185329970.db2.gz GAIAFHWGBNYEIQ-NSHDSACASA-N 0 1 303.453 1.435 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1c(N)cccc1Cl ZINC000092622391 185330094 /nfs/dbraw/zinc/33/00/94/185330094.db2.gz CNELPYBULGKLPJ-JTQLQIEISA-N 0 1 317.842 1.637 10 0 DDAEMN O=C([O-])c1cn(C2C[NH+]([C@@H]3CCCc4sccc43)C2)nn1 ZINC000092699053 185333871 /nfs/dbraw/zinc/33/38/71/185333871.db2.gz QUAXQTVDLFQDLN-GFCCVEGCSA-N 0 1 304.375 1.972 10 0 DDAEMN O=C(NCCSc1ccccc1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780691 185340621 /nfs/dbraw/zinc/34/06/21/185340621.db2.gz VXPIUPFJIWMPLM-CYBMUJFWSA-N 0 1 302.403 1.333 10 0 DDAEMN CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616636204 362763983 /nfs/dbraw/zinc/76/39/83/362763983.db2.gz RQUXBZHYOWEMIR-ZDUSSCGKSA-N 0 1 305.378 1.667 10 0 DDAEMN CN[C@H](C[S@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036535 192395982 /nfs/dbraw/zinc/39/59/82/192395982.db2.gz DEYGORJQVFESAG-XCLFUZPHSA-N 0 1 301.408 1.359 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000139377467 186022200 /nfs/dbraw/zinc/02/22/00/186022200.db2.gz YDXIHODTPQODDF-ZDUSSCGKSA-N 0 1 317.397 1.048 10 0 DDAEMN O[C@H]1COCC[C@@H]1NCc1cc(F)ccc1Br ZINC000623766556 366045889 /nfs/dbraw/zinc/04/58/89/366045889.db2.gz IGJPYJFXDIYSFB-RYUDHWBXSA-N 0 1 304.159 1.828 10 0 DDAEMN Cc1ccc(CNC(=O)CN2CCN3CCCC[C@@H]3C2)cc1F ZINC000172800737 198150860 /nfs/dbraw/zinc/15/08/60/198150860.db2.gz WGNWZSCIYSZBCP-MRXNPFEDSA-N 0 1 319.424 1.920 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2ccccc2)CCN1C[C@@H](C)O ZINC000173272548 198204872 /nfs/dbraw/zinc/20/48/72/198204872.db2.gz ODVDRHHRXMQWBS-NVXWUHKLSA-N 0 1 319.449 1.716 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccccc2F)CCN1C[C@@H](C)O ZINC000174640268 198363634 /nfs/dbraw/zinc/36/36/34/198363634.db2.gz QVBTUYIRHAQKST-ZIAGYGMSSA-N 0 1 324.396 1.508 10 0 DDAEMN O=C1CCc2c1c(=O)oc1c3c(cc(O)c21)O[C@@H]1OCC[C@@H]31 ZINC000097973719 353921210 /nfs/dbraw/zinc/92/12/10/353921210.db2.gz XJKCZCKWXTXPRZ-GYKQLYQFSA-N 0 1 300.266 1.850 10 0 DDAEMN CN1CCN(c2nc3ccc(Cl)cc3c(CC(N)=O)n2)CC1 ZINC000117722711 353995406 /nfs/dbraw/zinc/99/54/06/353995406.db2.gz SUBLTQAOGOOIIQ-UHFFFAOYSA-N 0 1 319.796 1.063 10 0 DDAEMN CO[C@@H](C)Cc1nc(C)c(I)c(=O)[nH]1 ZINC000127850539 354069331 /nfs/dbraw/zinc/06/93/31/354069331.db2.gz NMMHLQMJXJERGD-YFKPBYRVSA-N 0 1 308.119 1.260 10 0 DDAEMN CC(=O)c1csc(NS(=O)(=O)N2CCCCCC2)n1 ZINC000080835546 192194002 /nfs/dbraw/zinc/19/40/02/192194002.db2.gz INVZBEYTSGXCLK-UHFFFAOYSA-N 0 1 303.409 1.878 10 0 DDAEMN COc1ccc(NS(=O)(=O)c2cnc(N)c(Cl)c2)cn1 ZINC000081680400 192312749 /nfs/dbraw/zinc/31/27/49/192312749.db2.gz GLXJNROEAZBXDE-UHFFFAOYSA-N 0 1 314.754 1.522 10 0 DDAEMN CC1(C)CN(S(=O)(=O)c2ccc(F)c(CN)c2F)CCO1 ZINC000088969387 192672890 /nfs/dbraw/zinc/67/28/90/192672890.db2.gz BVFYUPJESDOWQQ-UHFFFAOYSA-N 0 1 320.361 1.223 10 0 DDAEMN CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180734018 199203062 /nfs/dbraw/zinc/20/30/62/199203062.db2.gz ZLPFJXWVTRKPIN-QMMMGPOBSA-N 0 1 301.749 1.975 10 0 DDAEMN O=C(NCCN1CCCOCC1)N[C@H]1COc2ccccc21 ZINC000187077834 200057336 /nfs/dbraw/zinc/05/73/36/200057336.db2.gz VHRVSGHWQMDINH-AWEZNQCLSA-N 0 1 305.378 1.142 10 0 DDAEMN CCc1ccccc1CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000188569552 200267478 /nfs/dbraw/zinc/26/74/78/200267478.db2.gz VFIRQJZAXXLTFR-LSDHHAIUSA-N 0 1 304.434 1.705 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1CCC(=O)N1CCc2ccccc21 ZINC000189287988 200376526 /nfs/dbraw/zinc/37/65/26/200376526.db2.gz DUZYYKACRGHFDU-CYBMUJFWSA-N 0 1 301.390 1.176 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C(=O)c3ccccc3)CCO2)n[nH]1 ZINC000194361424 201210000 /nfs/dbraw/zinc/21/00/00/201210000.db2.gz ZZWCUIFEGMOOPD-GFCCVEGCSA-N 0 1 314.345 1.150 10 0 DDAEMN Cn1ccnc(N2CCC[C@H](NCc3ccsc3)C2)c1=O ZINC000275481599 212361410 /nfs/dbraw/zinc/36/14/10/212361410.db2.gz IJJADPVPBGMWSK-ZDUSSCGKSA-N 0 1 304.419 1.600 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971362 193133943 /nfs/dbraw/zinc/13/39/43/193133943.db2.gz UWQAPCRYBRCDMJ-CYBMUJFWSA-N 0 1 312.483 1.665 10 0 DDAEMN C[C@@H]([NH3+])c1nc(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)cs1 ZINC000094223123 193350963 /nfs/dbraw/zinc/35/09/63/193350963.db2.gz GTFGTMSGXHFAQP-MOFOKWOHSA-N 0 1 311.285 1.298 10 0 DDAEMN CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[C@H]1CCC[N@@H+](C)C1 ZINC000094226661 193351774 /nfs/dbraw/zinc/35/17/74/193351774.db2.gz AMUWXVZCEMBAOG-KWQFWETISA-N 0 1 311.304 1.128 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000094358963 193365345 /nfs/dbraw/zinc/36/53/45/193365345.db2.gz WKUIEDATHNERLJ-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1ncccc1C(=O)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000094646617 193389780 /nfs/dbraw/zinc/38/97/80/193389780.db2.gz LZCIPUHFMHRTOQ-UHFFFAOYSA-N 0 1 306.435 1.213 10 0 DDAEMN CC(C)[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000094434372 193370042 /nfs/dbraw/zinc/37/00/42/193370042.db2.gz ALASZBHYRSRRDW-XHSDSOJGSA-N 0 1 314.495 1.616 10 0 DDAEMN N[C@@H](c1cc(Br)ccc1F)[C@H]1CN2CCN1CC2 ZINC000094508887 193376248 /nfs/dbraw/zinc/37/62/48/193376248.db2.gz AJHFPKIDKTURDL-OLZOCXBDSA-N 0 1 314.202 1.588 10 0 DDAEMN COc1ccc(NS(=O)(=O)c2cccc(C(N)=S)c2)cn1 ZINC000021022102 182261278 /nfs/dbraw/zinc/26/12/78/182261278.db2.gz JQXXKEHQNAVLHP-UHFFFAOYSA-N 0 1 323.399 1.525 10 0 DDAEMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(C(N)=S)cc2)n1 ZINC000021520590 182278668 /nfs/dbraw/zinc/27/86/68/182278668.db2.gz HYZIRHOZWATUFO-UHFFFAOYSA-N 0 1 322.415 1.528 10 0 DDAEMN Nc1cc(C(=O)N2CC[NH+](CCC(=O)[O-])CC2)ccc1Cl ZINC000040482693 183077993 /nfs/dbraw/zinc/07/79/93/183077993.db2.gz VMSQUOZYLSZSKL-UHFFFAOYSA-N 0 1 311.769 1.155 10 0 DDAEMN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)[nH]2)c(N)c1 ZINC000041632573 183212383 /nfs/dbraw/zinc/21/23/83/183212383.db2.gz CEIYYBVBVBJVQA-SSDOTTSWSA-N 0 1 307.379 1.823 10 0 DDAEMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(C)n[nH]2)c(N)c1 ZINC000041632573 183212385 /nfs/dbraw/zinc/21/23/85/183212385.db2.gz CEIYYBVBVBJVQA-SSDOTTSWSA-N 0 1 307.379 1.823 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)NCc1ccc(Br)cc1 ZINC000042240113 183245759 /nfs/dbraw/zinc/24/57/59/183245759.db2.gz ACVFHOYXGIQDAB-QMMMGPOBSA-N 0 1 314.183 1.383 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000105836713 194142793 /nfs/dbraw/zinc/14/27/93/194142793.db2.gz NBOUGNIEHYNZJP-HZPDHXFCSA-N 0 1 313.486 1.724 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccccc2F)CCN1CCOC ZINC000105836197 194142889 /nfs/dbraw/zinc/14/28/89/194142889.db2.gz MBHKTBWLNQDMJB-AWEZNQCLSA-N 0 1 323.412 1.807 10 0 DDAEMN CC[C@H]1CN(Cc2noc(C(C)(C)C)n2)CCN1CCOC ZINC000105836959 194144775 /nfs/dbraw/zinc/14/47/75/194144775.db2.gz ZHIRPRMQFLRSDR-ZDUSSCGKSA-N 0 1 310.442 1.910 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932580 194173417 /nfs/dbraw/zinc/17/34/17/194173417.db2.gz WTMISXDVWHIUPJ-CMPLNLGQSA-N 0 1 313.348 1.212 10 0 DDAEMN O=C1C[C@@H](NCCc2nccs2)C(=O)N1c1ccccc1 ZINC000109176196 194256575 /nfs/dbraw/zinc/25/65/75/194256575.db2.gz WSGFFXIISOOPHG-GFCCVEGCSA-N 0 1 301.371 1.607 10 0 DDAEMN Cc1cc(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)c(C)o1 ZINC000109465372 194266041 /nfs/dbraw/zinc/26/60/41/194266041.db2.gz OCAWCKAFGDOQTL-UHFFFAOYSA-N 0 1 309.435 1.719 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000109460724 194266183 /nfs/dbraw/zinc/26/61/83/194266183.db2.gz FHRKPJKLPVFPPQ-ZDUSSCGKSA-N 0 1 307.419 1.215 10 0 DDAEMN Cc1nc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)sc1C(=O)[O-] ZINC000110790123 194358283 /nfs/dbraw/zinc/35/82/83/194358283.db2.gz KPGRURQTIDOOLM-SECBINFHSA-N 0 1 312.395 1.043 10 0 DDAEMN CCN[C@@](CSc1ccncn1)(C(N)=O)c1ccccc1 ZINC000111115361 194391933 /nfs/dbraw/zinc/39/19/33/194391933.db2.gz CXAPIAVJHSKBCT-OAHLLOKOSA-N 0 1 302.403 1.559 10 0 DDAEMN O=S(=O)(C[C@@H]1CCCC[NH2+]1)[N-]c1cc(F)c(F)cc1F ZINC000061094749 184162129 /nfs/dbraw/zinc/16/21/29/184162129.db2.gz ZBAKWYJDFAGLTL-QMMMGPOBSA-N 0 1 308.325 1.988 10 0 DDAEMN Nc1ncccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061123030 184162538 /nfs/dbraw/zinc/16/25/38/184162538.db2.gz YWRGNDZSNXOIOD-UHFFFAOYSA-N 0 1 303.265 1.882 10 0 DDAEMN CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)[C@H](C)CC(=O)[O-] ZINC000061182598 184165012 /nfs/dbraw/zinc/16/50/12/184165012.db2.gz XEVKFPSDQOZXPU-SNVBAGLBSA-N 0 1 313.423 1.459 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(N)cc1F ZINC000061642649 184180504 /nfs/dbraw/zinc/18/05/04/184180504.db2.gz MGLUIEIZCZKLNP-JTQLQIEISA-N 0 1 319.377 1.262 10 0 DDAEMN NS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000061982743 184199793 /nfs/dbraw/zinc/19/97/93/184199793.db2.gz RQMJCTNXQKVBPJ-SECBINFHSA-N 0 1 315.826 1.636 10 0 DDAEMN CCNS(=O)(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000062212224 184221481 /nfs/dbraw/zinc/22/14/81/184221481.db2.gz AGBTZRKIWOOJGZ-HNNXBMFYSA-N 0 1 311.451 1.658 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2N)C1 ZINC000062965415 184262902 /nfs/dbraw/zinc/26/29/02/184262902.db2.gz NURHBGGCOVAARH-SNVBAGLBSA-N 0 1 303.815 1.247 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc1N ZINC000062975729 184264333 /nfs/dbraw/zinc/26/43/33/184264333.db2.gz AMDIBNWXVXUWGH-ZDUSSCGKSA-N 0 1 309.435 1.436 10 0 DDAEMN CCC(CC)N(CCO)Cc1nc2c(cnn2C)c(Cl)n1 ZINC000063077470 184269030 /nfs/dbraw/zinc/26/90/30/184269030.db2.gz ZXCDCIUFOKCWPE-UHFFFAOYSA-N 0 1 311.817 2.000 10 0 DDAEMN COCCN1CCN(Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000120774435 195235483 /nfs/dbraw/zinc/23/54/83/195235483.db2.gz CCHMTRWKOSAIJP-CQSZACIVSA-N 0 1 308.422 1.856 10 0 DDAEMN Cc1ccc(N2CCO[C@@H]3CN(Cc4cccs4)C[C@@H]32)nn1 ZINC000247946245 257114526 /nfs/dbraw/zinc/11/45/26/257114526.db2.gz WMYUXYLCJAUJSS-LSDHHAIUSA-N 0 1 316.430 1.936 10 0 DDAEMN C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000068414042 406640514 /nfs/dbraw/zinc/64/05/14/406640514.db2.gz XWESJRMQUXNUBW-ZFWWWQNUSA-N 0 1 318.421 1.131 10 0 DDAEMN CCCC(=O)OC[C@H](O)CN(CCOC)Cc1ccc(C)o1 ZINC000036097589 406976165 /nfs/dbraw/zinc/97/61/65/406976165.db2.gz NHUZTUKGFNCMJP-CQSZACIVSA-N 0 1 313.394 1.741 10 0 DDAEMN COC(=O)c1cc2n(n1)CCN(C[C@H]1CCOC(C)(C)C1)C2 ZINC000065455444 407243888 /nfs/dbraw/zinc/24/38/88/407243888.db2.gz UZITYKJRXKHKGH-LBPRGKRZSA-N 0 1 307.394 1.691 10 0 DDAEMN Cc1cc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)no1 ZINC000105845646 407355328 /nfs/dbraw/zinc/35/53/28/407355328.db2.gz IVNCELZILOVRCC-KRWDZBQOSA-N 0 1 322.453 1.210 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(F)cc1F ZINC000105932561 407358372 /nfs/dbraw/zinc/35/83/72/407358372.db2.gz GDIDPAASQTVHBW-CMPLNLGQSA-N 0 1 313.348 1.212 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000106912091 407366695 /nfs/dbraw/zinc/36/66/95/407366695.db2.gz ZNZDYHAPDNBCOI-KRWDZBQOSA-N 0 1 301.434 1.466 10 0 DDAEMN COC(=O)CSCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106918277 407367463 /nfs/dbraw/zinc/36/74/63/407367463.db2.gz HEXFJEMQRPDRKD-AWEZNQCLSA-N 0 1 324.446 1.182 10 0 DDAEMN C[C@H]1CCCCN1C(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105920144 407357742 /nfs/dbraw/zinc/35/77/42/407357742.db2.gz PQHWCYKGACPBEJ-HNNXBMFYSA-N 0 1 304.438 1.996 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000112548493 407432237 /nfs/dbraw/zinc/43/22/37/407432237.db2.gz LGLMPLPBYBKMLU-SMDDNHRTSA-N 0 1 311.813 1.587 10 0 DDAEMN CCOC(=O)C(=NNc1ccc(C(=O)OCC)cc1)C(C)=O ZINC000254761739 407467570 /nfs/dbraw/zinc/46/75/70/407467570.db2.gz HXVZLMIWVJXPTC-UHFFFAOYSA-N 0 1 306.318 1.783 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000186158378 407588778 /nfs/dbraw/zinc/58/87/78/407588778.db2.gz KHWKIAVQIHKPQO-STQMWFEESA-N 0 1 318.339 1.541 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000170873728 407542819 /nfs/dbraw/zinc/54/28/19/407542819.db2.gz AUBBFRQXWQTVON-HNNXBMFYSA-N 0 1 308.447 1.890 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000262289198 407784033 /nfs/dbraw/zinc/78/40/33/407784033.db2.gz MUAYYMWUBNAYRC-LLVKDONJSA-N 0 1 306.391 1.734 10 0 DDAEMN CC[C@H]1CN(c2cncc(OCC(C)C)n2)CCN1C[C@@H](C)O ZINC000153285303 407793148 /nfs/dbraw/zinc/79/31/48/407793148.db2.gz NGAZGFWZWIATKC-CABCVRRESA-N 0 1 322.453 1.793 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(O)cc2)CCN1CCOC ZINC000133847528 407876237 /nfs/dbraw/zinc/87/62/37/407876237.db2.gz MXZQUIBPDPTNSM-HNNXBMFYSA-N 0 1 306.406 1.504 10 0 DDAEMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173928264 407904328 /nfs/dbraw/zinc/90/43/28/407904328.db2.gz XOXUQWWIXXIEBZ-XGHPGWEVSA-N 0 1 323.481 1.476 10 0 DDAEMN COC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(F)c1 ZINC000245691805 408046589 /nfs/dbraw/zinc/04/65/89/408046589.db2.gz XKGXDOKSWVPVDP-STQMWFEESA-N 0 1 324.396 1.499 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2scnc2C)CCN1C[C@@H](C)O ZINC000188955158 407990443 /nfs/dbraw/zinc/99/04/43/407990443.db2.gz OFYSDDXVKXEXAI-HGIUVPSYSA-N 0 1 323.462 1.768 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCC[C@@H](C)C2)C1 ZINC000262998077 407999378 /nfs/dbraw/zinc/99/93/78/407999378.db2.gz MMSDFEZMEBNNJA-IWMBGFJWSA-N 0 1 311.426 1.802 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)n[nH]1 ZINC000245500520 408000575 /nfs/dbraw/zinc/00/05/75/408000575.db2.gz AMCKNMMVMQRUEZ-LYIQGSDWSA-N 0 1 323.397 1.152 10 0 DDAEMN CC(C)N1CC[C@H](N2CCC(N(C)c3cccnn3)CC2)C1=O ZINC000175186913 408072048 /nfs/dbraw/zinc/07/20/48/408072048.db2.gz BWGZMISDIIQITF-HNNXBMFYSA-N 0 1 317.437 1.387 10 0 DDAEMN CC1CCN(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000119468889 408076358 /nfs/dbraw/zinc/07/63/58/408076358.db2.gz MIMGCHDLJNXXRC-HNNXBMFYSA-N 0 1 317.437 1.294 10 0 DDAEMN CCn1cnnc1C1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000175207442 408077114 /nfs/dbraw/zinc/07/71/14/408077114.db2.gz RKSMNZFSOLWZFS-CQSZACIVSA-N 0 1 305.426 1.487 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCCc3ccccc3)CCO2)n[nH]1 ZINC000175287500 408098372 /nfs/dbraw/zinc/09/83/72/408098372.db2.gz FCLVDMVGZHOBIR-CQSZACIVSA-N 0 1 315.377 1.439 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC3(CC)CC3)CCO2)n[nH]1 ZINC000120378800 408129575 /nfs/dbraw/zinc/12/95/75/408129575.db2.gz UHQMIKFCZCKJIM-NSHDSACASA-N 0 1 307.398 1.640 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000263455443 408142972 /nfs/dbraw/zinc/14/29/72/408142972.db2.gz HFFBLYYBAJSUNT-VTXSZYRJSA-N 0 1 311.426 1.611 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000246156502 408158133 /nfs/dbraw/zinc/15/81/33/408158133.db2.gz LJOJOKQYCKKWCP-BXUZGUMPSA-N 0 1 300.399 1.833 10 0 DDAEMN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000175740608 408191977 /nfs/dbraw/zinc/19/19/77/408191977.db2.gz KCECHEFBLZCBNG-SECBINFHSA-N 0 1 304.350 1.760 10 0 DDAEMN Cc1ncc(CN2CCN(CCCn3ccnc3)CC2)s1 ZINC000182753590 408239555 /nfs/dbraw/zinc/23/95/55/408239555.db2.gz XBUSSFGVOKODTL-UHFFFAOYSA-N 0 1 305.451 1.856 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(=O)OC)c2ccccc2)CCN1C[C@H](C)O ZINC000246679558 408314939 /nfs/dbraw/zinc/31/49/39/408314939.db2.gz IZCBTYGRAWXFOW-USXIJHARSA-N 0 1 320.433 1.678 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246495735 408274391 /nfs/dbraw/zinc/27/43/91/408274391.db2.gz PPBDNCDXCHCOTB-DZKIICNBSA-N 0 1 311.470 1.332 10 0 DDAEMN CCOCC[N@H+]1CCN(c2nc(C)nc3c2cnn3C)C[C@@H]1C ZINC000171544582 162223477 /nfs/dbraw/zinc/22/34/77/162223477.db2.gz PLTPZWLPJJKKCI-LBPRGKRZSA-N 0 1 318.425 1.219 10 0 DDAEMN CCOCCN1CCN(c2nc(C)nc3c2cnn3C)C[C@@H]1C ZINC000171544582 162223480 /nfs/dbraw/zinc/22/34/80/162223480.db2.gz PLTPZWLPJJKKCI-LBPRGKRZSA-N 0 1 318.425 1.219 10 0 DDAEMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H](N2CCOCC2)C1 ZINC000246855225 408357006 /nfs/dbraw/zinc/35/70/06/408357006.db2.gz FGDXNVJNKOZSJE-QZWWFDLISA-N 0 1 323.481 1.476 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)N3CCCCCC3)CCO2)n[nH]1 ZINC000173352426 162333701 /nfs/dbraw/zinc/33/37/01/162333701.db2.gz MTHGIBHDYTYGDT-JSGCOSHPSA-N 0 1 321.425 1.278 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173538023 162346663 /nfs/dbraw/zinc/34/66/63/162346663.db2.gz RRRBZRMQNJBYAW-AWEZNQCLSA-N 0 1 300.362 1.889 10 0 DDAEMN CCCCCCOCC(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1 ZINC000173572227 162349576 /nfs/dbraw/zinc/34/95/76/162349576.db2.gz JUCQOPGBKGFIFJ-ZDUSSCGKSA-N 0 1 324.425 1.864 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(F)cc3c2OCOC3)C[C@@H]1C ZINC000247383401 408460742 /nfs/dbraw/zinc/46/07/42/408460742.db2.gz WDWQNBWROMEFRW-STQMWFEESA-N 0 1 324.396 1.579 10 0 DDAEMN CC(C)CCc1noc(CN2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000247196896 408426804 /nfs/dbraw/zinc/42/68/04/408426804.db2.gz OQNBGYLLTVJGTG-KGLIPLIRSA-N 0 1 310.442 1.545 10 0 DDAEMN O=S(=O)(c1c(F)cccc1F)N1CCN2CCC[C@H]2C1 ZINC000247483941 408479475 /nfs/dbraw/zinc/47/94/75/408479475.db2.gz KGBFRNQTTONGKJ-JTQLQIEISA-N 0 1 302.346 1.434 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000247516112 408485699 /nfs/dbraw/zinc/48/56/99/408485699.db2.gz WGXDSYIHGRVPDA-JQWIXIFHSA-N 0 1 316.373 1.822 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000248645668 408609489 /nfs/dbraw/zinc/60/94/89/408609489.db2.gz GOZBVHZIMSCQKI-IRXDYDNUSA-N 0 1 320.433 1.727 10 0 DDAEMN CC1(C)CCN(c2nc[nH]c(=O)c2I)C1 ZINC000162886396 408743021 /nfs/dbraw/zinc/74/30/21/408743021.db2.gz IXJQTDQPENGJOI-UHFFFAOYSA-N 0 1 319.146 1.611 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000262203499 163784482 /nfs/dbraw/zinc/78/44/82/163784482.db2.gz DIBCNYQDMFTXGK-GFCCVEGCSA-N 0 1 316.323 1.827 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3cccn3)cc2)N(C)C1 ZINC000343744208 410661140 /nfs/dbraw/zinc/66/11/40/410661140.db2.gz FURPKFDFHFJKCZ-HOTGVXAUSA-N 0 1 314.389 1.208 10 0 DDAEMN CN(C)CC(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000132226476 196237162 /nfs/dbraw/zinc/23/71/62/196237162.db2.gz VFTWYIXJIPOXPW-UHFFFAOYSA-N 0 1 312.417 1.441 10 0 DDAEMN Cc1cccc(C)c1OCCN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618060 422204415 /nfs/dbraw/zinc/20/44/15/422204415.db2.gz YZXUBINSARKHAA-KRWDZBQOSA-N 0 1 316.405 1.784 10 0 DDAEMN CC(C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649013 422240156 /nfs/dbraw/zinc/24/01/56/422240156.db2.gz HKDCXGVKHXUOAZ-CABCVRRESA-N 0 1 304.390 1.971 10 0 DDAEMN CC(C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649013 422240161 /nfs/dbraw/zinc/24/01/61/422240161.db2.gz HKDCXGVKHXUOAZ-CABCVRRESA-N 0 1 304.390 1.971 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CC[C@H](c2cccc(N)n2)C1 ZINC000616611263 422517630 /nfs/dbraw/zinc/51/76/30/422517630.db2.gz BOCUQJSALGLVLA-LBPRGKRZSA-N 0 1 306.410 1.978 10 0 DDAEMN CCC1(CC)CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000662688649 424736073 /nfs/dbraw/zinc/73/60/73/424736073.db2.gz QPPNQQIPNWYLOF-GFCCVEGCSA-N 0 1 304.456 1.177 10 0 DDAEMN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000253542527 274375688 /nfs/dbraw/zinc/37/56/88/274375688.db2.gz UYVNBUUDKYVUGD-NEPJUHHUSA-N 0 1 312.373 1.644 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000253542527 274375690 /nfs/dbraw/zinc/37/56/90/274375690.db2.gz UYVNBUUDKYVUGD-NEPJUHHUSA-N 0 1 312.373 1.644 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N[C@H](C)C(=O)[O-])n1 ZINC000263403720 277841838 /nfs/dbraw/zinc/84/18/38/277841838.db2.gz JYYDJJMESPLMDI-MDZLAQPJSA-N 0 1 308.382 1.977 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CC(C)C)CC1 ZINC000083742840 279136157 /nfs/dbraw/zinc/13/61/57/279136157.db2.gz XQPLBKDUXXHFBS-CQSZACIVSA-N 0 1 320.441 1.405 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000123944266 281180899 /nfs/dbraw/zinc/18/08/99/281180899.db2.gz JUBBCOUMUQOYBV-GFCCVEGCSA-N 0 1 320.817 1.945 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@H]2CCCO2)C[C@@H]1CC ZINC000247086772 282033667 /nfs/dbraw/zinc/03/36/67/282033667.db2.gz LTOWTOCLMRXQHF-LSDHHAIUSA-N 0 1 313.442 1.308 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262405861 298128197 /nfs/dbraw/zinc/12/81/97/298128197.db2.gz BPGRCOWZUZRRJD-OLZOCXBDSA-N 0 1 313.442 1.161 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c(Cl)c1 ZINC000170873633 298223882 /nfs/dbraw/zinc/22/38/82/298223882.db2.gz CFQQSCNZUXOKKC-LLVKDONJSA-N 0 1 302.827 1.973 10 0 DDAEMN COCCN1C[C@H](c2nc(C)c(-c3cnn(C)c3)[nH]2)CC1=O ZINC000020541090 337331034 /nfs/dbraw/zinc/33/10/34/337331034.db2.gz OPXGPOJPYZPWNX-LLVKDONJSA-N 0 1 303.366 1.081 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc1 ZINC000124021919 490640624 /nfs/dbraw/zinc/64/06/24/490640624.db2.gz CIEWURNBXKFPFU-ABAIWWIYSA-N 0 1 310.419 1.460 10 0 DDAEMN O=c1cc(CN2CC[C@H](Oc3cccnc3)C2)[nH]c2ccnn21 ZINC000154677277 527479760 /nfs/dbraw/zinc/47/97/60/527479760.db2.gz CBFMLHRQPNIHEU-AWEZNQCLSA-N 0 1 311.345 1.071 10 0 DDAEMN CC[N@@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000187433119 697544752 /nfs/dbraw/zinc/54/47/52/697544752.db2.gz HXIMMQVMDSTTEK-HNNXBMFYSA-N 0 1 324.446 1.550 10 0 DDAEMN CC[N@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000187433119 697544753 /nfs/dbraw/zinc/54/47/53/697544753.db2.gz HXIMMQVMDSTTEK-HNNXBMFYSA-N 0 1 324.446 1.550 10 0 DDAEMN C[N@@H+]1CCO[C@H](C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000219553391 697754533 /nfs/dbraw/zinc/75/45/33/697754533.db2.gz MARSZAABYKJFAJ-ZIAGYGMSSA-N 0 1 322.361 1.087 10 0 DDAEMN C[N@H+]1CCO[C@H](C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000219553391 697754537 /nfs/dbraw/zinc/75/45/37/697754537.db2.gz MARSZAABYKJFAJ-ZIAGYGMSSA-N 0 1 322.361 1.087 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2 ZINC000220618940 697755471 /nfs/dbraw/zinc/75/54/71/697755471.db2.gz UZQAPTIZYBOQBA-NSHDSACASA-N 0 1 322.409 1.464 10 0 DDAEMN COCCN1CCN(CN2C[C@@H](CC(C)C)CC2=O)C[C@H]1C ZINC000245445950 698333433 /nfs/dbraw/zinc/33/34/33/698333433.db2.gz KTEHNZKAMUCJJK-CVEARBPZSA-N 0 1 311.470 1.491 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCC2=CCCC2)C1 ZINC000262892441 698483725 /nfs/dbraw/zinc/48/37/25/698483725.db2.gz AFRJVVRXFGNVAH-UHFFFAOYSA-N 0 1 309.410 1.724 10 0 DDAEMN CN1CCO[C@@H](C[N@H+](Cc2cccc(C(=O)[O-])c2)CC2CC2)C1 ZINC000263436553 698507084 /nfs/dbraw/zinc/50/70/84/698507084.db2.gz UTLBVCWFMNZPSJ-QGZVFWFLSA-N 0 1 318.417 1.927 10 0 DDAEMN COC(=O)[C@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000309567037 698665035 /nfs/dbraw/zinc/66/50/35/698665035.db2.gz GQJNMHPQLUEUHA-ZFWWWQNUSA-N 0 1 304.390 1.386 10 0 DDAEMN C[C@H](NCC1CC(NC(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715923822 699278190 /nfs/dbraw/zinc/27/81/90/699278190.db2.gz SSYVPWGQPMCQTG-UNXYVOJBSA-N 0 1 309.414 1.769 10 0 DDAEMN Cn1ccc(CN2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1 ZINC000818189753 702602029 /nfs/dbraw/zinc/60/20/29/702602029.db2.gz WDKUWTXYZIYKHI-QGZVFWFLSA-N 0 1 316.405 1.855 10 0 DDAEMN C[C@@H](c1ccc(F)nc1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000930425020 713832149 /nfs/dbraw/zinc/83/21/49/713832149.db2.gz IFTXCYAYOVNGHK-SUMWQHHRSA-N 0 1 321.396 1.731 10 0 DDAEMN Cc1ccc2nc(NS(=O)(=O)N3CCOCC3)sc2c1 ZINC000074753173 185015804 /nfs/dbraw/zinc/01/58/04/185015804.db2.gz YQHIQDXCUYIIOD-UHFFFAOYSA-N 0 1 313.404 1.594 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)N[C@H]3CCCO3)cc2)CC1 ZINC000074754006 185016000 /nfs/dbraw/zinc/01/60/00/185016000.db2.gz DKJBADSZNHDQHX-OAHLLOKOSA-N 0 1 304.394 1.696 10 0 DDAEMN Cc1cc2ncc([C@H](C)N[C@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902686 192336331 /nfs/dbraw/zinc/33/63/31/192336331.db2.gz RVQJDVLWRJAHMF-MNOVXSKESA-N 0 1 310.423 1.430 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](N)c1c(C)cc(C)cc1C ZINC000081976937 192347736 /nfs/dbraw/zinc/34/77/36/192347736.db2.gz YCESKAVUSLKEHA-ZDUSSCGKSA-N 0 1 313.419 1.590 10 0 DDAEMN NN=c1cc(Nc2cc(Br)ccc2F)[nH]c(N)n1 ZINC000087854063 185233541 /nfs/dbraw/zinc/23/35/41/185233541.db2.gz CKLPGBHXYDNKQJ-UHFFFAOYSA-N 0 1 313.134 1.990 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000088543480 185256834 /nfs/dbraw/zinc/25/68/34/185256834.db2.gz DHBCKRKJPNDCBX-TXEJJXNPSA-N 0 1 316.423 1.576 10 0 DDAEMN CC(C)[N@H+](C)CCCC[N-]S(=O)(=O)c1ccc(C=O)o1 ZINC000088541248 185255957 /nfs/dbraw/zinc/25/59/57/185255957.db2.gz XAFHYVGQEGTDQW-UHFFFAOYSA-N 0 1 302.396 1.491 10 0 DDAEMN CC(C)[N@@H+](C)CCCC[N-]S(=O)(=O)c1ccc(C=O)o1 ZINC000088541248 185255958 /nfs/dbraw/zinc/25/59/58/185255958.db2.gz XAFHYVGQEGTDQW-UHFFFAOYSA-N 0 1 302.396 1.491 10 0 DDAEMN CC(C)n1ncnc1C[S@@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000088618327 185260195 /nfs/dbraw/zinc/26/01/95/185260195.db2.gz LNMAGSLBKSWQGK-NRFANRHFSA-N 0 1 304.379 1.625 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccccc1CO ZINC000088895197 185270160 /nfs/dbraw/zinc/27/01/60/185270160.db2.gz UDYPKCXQTZJJQV-UHFFFAOYSA-N 0 1 300.424 1.141 10 0 DDAEMN CCCN(CC(=O)[N-]C(=O)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000090294005 185289965 /nfs/dbraw/zinc/28/99/65/185289965.db2.gz LSDDKYJPNRGOTI-UHFFFAOYSA-N 0 1 309.797 1.280 10 0 DDAEMN CC[N@@H+](Cc1ccc(Br)o1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090474787 185298322 /nfs/dbraw/zinc/29/83/22/185298322.db2.gz IQWKSXBUIYQBHI-VHSXEESVSA-N 0 1 318.167 1.964 10 0 DDAEMN Cc1ccnc2c1nc(SCC(=O)[O-])n2[C@H]1CC[N@H+](C)C1 ZINC000092549822 185325455 /nfs/dbraw/zinc/32/54/55/185325455.db2.gz KOKGZURUPBDTHN-JTQLQIEISA-N 0 1 306.391 1.793 10 0 DDAEMN CCNc1ncccc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092672741 185333044 /nfs/dbraw/zinc/33/30/44/185333044.db2.gz BYEVNXCXEYRUNX-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(N)ccc1F ZINC000092622377 185329759 /nfs/dbraw/zinc/32/97/59/185329759.db2.gz PCSRYQRZBWVEAG-LLVKDONJSA-N 0 1 301.387 1.123 10 0 DDAEMN Cc1cc([C@@H](C)NC(=O)[C@H]2Cc3nc[nH]c3CN2)c(C)s1 ZINC000092780159 185340152 /nfs/dbraw/zinc/34/01/52/185340152.db2.gz WBNDQXXWTOKXJV-NOZJJQNGSA-N 0 1 304.419 1.980 10 0 DDAEMN CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780538 185340408 /nfs/dbraw/zinc/34/04/08/185340408.db2.gz WJUHOVZKEWOJIQ-JTQLQIEISA-N 0 1 304.316 1.471 10 0 DDAEMN CC(C)[N@H+]1CC[C@@H](CNC(=O)N2[C@@H](C)SC[C@@H]2C(=O)[O-])C1 ZINC000111446941 185604590 /nfs/dbraw/zinc/60/45/90/185604590.db2.gz ZCWAXMFWKQLUKJ-GRYCIOLGSA-N 0 1 315.439 1.274 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(N)ccc2Cl)n[nH]1 ZINC000080511687 192163489 /nfs/dbraw/zinc/16/34/89/192163489.db2.gz ZNBBTUWXZYYBRP-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN C[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)C[C@@H](C)O1 ZINC000080462021 192159114 /nfs/dbraw/zinc/15/91/14/192159114.db2.gz ULXUCQCFBRADLL-RNFRBKRXSA-N 0 1 305.450 1.555 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n[nH]1 ZINC000173555482 198226177 /nfs/dbraw/zinc/22/61/77/198226177.db2.gz UYLNSQVQDXZFSJ-LBPRGKRZSA-N 0 1 304.325 1.720 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccnc(Cl)c3)CCO2)n[nH]1 ZINC000173566098 198228009 /nfs/dbraw/zinc/22/80/09/198228009.db2.gz NFYIWEUTXTXZKM-SNVBAGLBSA-N 0 1 321.768 1.629 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@H]3c3ccncc3)[C@@H](O)[C@H]2O1 ZINC000106403354 353939054 /nfs/dbraw/zinc/93/90/54/353939054.db2.gz WHVZNXODCFBFHL-UYJHQMFVSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccncc3)[C@@H](O)[C@H]2O1 ZINC000106403354 353939057 /nfs/dbraw/zinc/93/90/57/353939057.db2.gz WHVZNXODCFBFHL-UYJHQMFVSA-N 0 1 320.389 1.456 10 0 DDAEMN Cc1oc(=O)oc1COC(=O)c1[nH]cnc1[C@@H](C)CC(C)(C)O ZINC000147226814 354164461 /nfs/dbraw/zinc/16/44/61/354164461.db2.gz SIZDFHNODXDKBY-QMMMGPOBSA-N 0 1 324.333 1.886 10 0 DDAEMN CN(CC1CC1)c1nc[nH]c(=O)c1I ZINC000162149903 354245028 /nfs/dbraw/zinc/24/50/28/354245028.db2.gz SHJPMNXHJAWIEX-UHFFFAOYSA-N 0 1 305.119 1.221 10 0 DDAEMN Cc1cn2cccc([N-]S(=O)(=O)c3c(C)n[nH]c3C)c2[nH+]1 ZINC000074860102 191374145 /nfs/dbraw/zinc/37/41/45/191374145.db2.gz CPYOVAHITWNKAW-UHFFFAOYSA-N 0 1 305.363 1.783 10 0 DDAEMN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000078245773 191836393 /nfs/dbraw/zinc/83/63/93/191836393.db2.gz WCAIIKDAHQVUTB-RKDXNWHRSA-N 0 1 311.332 1.992 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)n1 ZINC000080868292 192196922 /nfs/dbraw/zinc/19/69/22/192196922.db2.gz FQTFYFOAJCMGNW-NXEZZACHSA-N 0 1 318.468 1.812 10 0 DDAEMN Cc1cc(C)nc(NS(=O)(=O)c2cnc(N)c(Cl)c2)n1 ZINC000081679035 192311639 /nfs/dbraw/zinc/31/16/39/192311639.db2.gz RQGYJLFDAPKFCL-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN Cc1oc(C)c(S(=O)(=O)N(C)Cc2ccncc2)c1CN ZINC000088961908 192670788 /nfs/dbraw/zinc/67/07/88/192670788.db2.gz NFSUWXVOGRVWFO-UHFFFAOYSA-N 0 1 309.391 1.571 10 0 DDAEMN O=C([O-])c1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC000091672523 193089494 /nfs/dbraw/zinc/08/94/94/193089494.db2.gz RHOLIDZBMMJNOD-NXEZZACHSA-N 0 1 311.769 1.708 10 0 DDAEMN Brc1nnc(NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091677221 193089573 /nfs/dbraw/zinc/08/95/73/193089573.db2.gz BPQNDORIXNCOSM-SFYZADRCSA-N 0 1 319.228 1.576 10 0 DDAEMN O=C1N(Cc2cccc(Br)c2)C[C@H]2CNCCN12 ZINC000091750959 193101905 /nfs/dbraw/zinc/10/19/05/193101905.db2.gz JMVXCSWWKILDKA-GFCCVEGCSA-N 0 1 310.195 1.659 10 0 DDAEMN O=C1N(Cc2ccccc2Br)C[C@H]2CNCCN12 ZINC000091751268 193101984 /nfs/dbraw/zinc/10/19/84/193101984.db2.gz NCRDZAHSWDHNPW-LLVKDONJSA-N 0 1 310.195 1.659 10 0 DDAEMN O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000224271376 201673230 /nfs/dbraw/zinc/67/32/30/201673230.db2.gz VQWKHTHKUMXHTC-UHFFFAOYSA-N 0 1 304.375 1.878 10 0 DDAEMN CN[C@H](C(=O)N1CCc2cc(OC)ccc21)c1cnn(C)c1 ZINC000262600415 203345518 /nfs/dbraw/zinc/34/55/18/203345518.db2.gz XRMZYMZWKBPFJN-HNNXBMFYSA-N 0 1 300.362 1.279 10 0 DDAEMN CC(C)CNS(=O)(=O)c1cc(Br)c[nH]c1=NN ZINC000041069915 183162217 /nfs/dbraw/zinc/16/22/17/183162217.db2.gz RZTBFVPMGDVBHL-UHFFFAOYSA-N 0 1 323.216 1.064 10 0 DDAEMN CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccnc(NN)c1 ZINC000042782294 183308603 /nfs/dbraw/zinc/30/86/03/183308603.db2.gz SAEDHPDQMYZOHT-UHFFFAOYSA-N 0 1 312.317 1.329 10 0 DDAEMN COc1cc(Cl)c(NC(=O)[C@@H]2CNCCO2)cc1OC ZINC000043708811 183382540 /nfs/dbraw/zinc/38/25/40/183382540.db2.gz IEIVHRZMKKHLEE-LBPRGKRZSA-N 0 1 300.742 1.284 10 0 DDAEMN CSc1nc2ccc(NC(=O)[C@H]3CNCCO3)cc2s1 ZINC000043708546 183382560 /nfs/dbraw/zinc/38/25/60/183382560.db2.gz WRROXAUYPANJSB-SNVBAGLBSA-N 0 1 309.416 1.945 10 0 DDAEMN O=C([O-])CSc1nnc(N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000044726351 183435692 /nfs/dbraw/zinc/43/56/92/183435692.db2.gz HRYKWXWCLUTTOK-ZETCQYMHSA-N 0 1 300.409 1.363 10 0 DDAEMN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(C(N)=O)cc1 ZINC000284740346 218158042 /nfs/dbraw/zinc/15/80/42/218158042.db2.gz UTCWGHHMHFTDSS-IXDOHACOSA-N 0 1 318.417 1.801 10 0 DDAEMN O=C(NCc1cccc2c1OCO2)N1CCN2CCCC[C@H]2C1 ZINC000105173230 194081602 /nfs/dbraw/zinc/08/16/02/194081602.db2.gz FXHRYVPCULUBTP-AWEZNQCLSA-N 0 1 317.389 1.795 10 0 DDAEMN CN(Cc1cn2cccnc2n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803424 194131405 /nfs/dbraw/zinc/13/14/05/194131405.db2.gz VDKFKEGAQFLIOC-OAHLLOKOSA-N 0 1 323.404 1.620 10 0 DDAEMN CC[C@H]1CN(Cc2nnc(C)n2C2CC2)CCN1CCOC ZINC000105837349 194144885 /nfs/dbraw/zinc/14/48/85/194144885.db2.gz SNCJWCNMQDCRMZ-AWEZNQCLSA-N 0 1 307.442 1.464 10 0 DDAEMN c1cnn(CCCCCN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105890965 194159563 /nfs/dbraw/zinc/15/95/63/194159563.db2.gz XZVXGHIQSVITFG-INIZCTEOSA-N 0 1 303.410 1.651 10 0 DDAEMN CCCC[C@H](C(=O)OC)N1CCN(CCOCC)[C@H](C)C1 ZINC000105914054 194168098 /nfs/dbraw/zinc/16/80/98/194168098.db2.gz HCRNANXEIZONOT-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN Cc1cc(S(=O)(=O)NCCN2CCCCC2)cc(N)c1C ZINC000049574447 183743268 /nfs/dbraw/zinc/74/32/68/183743268.db2.gz RXWJOHFOZWGUTF-UHFFFAOYSA-N 0 1 311.451 1.650 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000109457727 194264967 /nfs/dbraw/zinc/26/49/67/194264967.db2.gz RBKPXGOZIGCRCV-NSHDSACASA-N 0 1 309.410 1.187 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2ccsc2)CC1 ZINC000109463852 194265903 /nfs/dbraw/zinc/26/59/03/194265903.db2.gz LALOVQOUOUHNCR-LBPRGKRZSA-N 0 1 311.476 1.961 10 0 DDAEMN CCN[C@](CSc1ccncn1)(C(N)=O)c1ccccc1 ZINC000111115358 194392509 /nfs/dbraw/zinc/39/25/09/194392509.db2.gz CXAPIAVJHSKBCT-HNNXBMFYSA-N 0 1 302.403 1.559 10 0 DDAEMN CN(Cc1nc2c(cnn2C)c(Cl)n1)C[C@@H]1CCCOC1 ZINC000111162554 194397302 /nfs/dbraw/zinc/39/73/02/194397302.db2.gz KDPIDFQMRNJPQV-JTQLQIEISA-N 0 1 309.801 1.875 10 0 DDAEMN CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)[C@H](C)CC(=O)[O-] ZINC000061183366 184165273 /nfs/dbraw/zinc/16/52/73/184165273.db2.gz CJMWUUZXTBYYSY-SECBINFHSA-N 0 1 310.379 1.145 10 0 DDAEMN CCN(C[C@@H](C)C(=O)[O-])C(=O)NCCCC[N@@H+](C)C(C)C ZINC000061226584 184166899 /nfs/dbraw/zinc/16/68/99/184166899.db2.gz MUBAWBNRFJFOFE-CYBMUJFWSA-N 0 1 301.431 1.859 10 0 DDAEMN CCNS(=O)(=O)NC[C@@H](c1ccc(OCC)cc1)N(C)C ZINC000062359006 184232733 /nfs/dbraw/zinc/23/27/33/184232733.db2.gz RBASOVLRORPSRY-AWEZNQCLSA-N 0 1 315.439 1.132 10 0 DDAEMN CCCNS(=O)(=O)NC[C@H](c1cccs1)N(CC)CC ZINC000062359560 184233118 /nfs/dbraw/zinc/23/31/18/184233118.db2.gz CXZXHFKIDWYAQS-GFCCVEGCSA-N 0 1 319.496 1.965 10 0 DDAEMN Cc1cc(NC(=O)[C@@H](C)NC(=O)c2[nH]nc3c2CCCC3)no1 ZINC000062371044 184233329 /nfs/dbraw/zinc/23/33/29/184233329.db2.gz SEDVYTSRCSUMTA-SECBINFHSA-N 0 1 317.349 1.342 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000062970721 184263389 /nfs/dbraw/zinc/26/33/89/184263389.db2.gz GSKPCPNLPRVIJU-QMMMGPOBSA-N 0 1 309.844 1.430 10 0 DDAEMN NC(=S)c1cccc(CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000062980166 184263995 /nfs/dbraw/zinc/26/39/95/184263995.db2.gz XZNSYTROCNXCLJ-HNNXBMFYSA-N 0 1 305.447 1.227 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000156673983 197131827 /nfs/dbraw/zinc/13/18/27/197131827.db2.gz YZZZLUMDOVSBHW-CYBMUJFWSA-N 0 1 318.377 1.960 10 0 DDAEMN CCOCCN1CC[C@@H]2C[C@@H](C(=O)N3CCCCO3)O[C@H]2C1 ZINC000248288221 257106825 /nfs/dbraw/zinc/10/68/25/257106825.db2.gz HLZSFSOWBKMQKI-ILXRZTDVSA-N 0 1 312.410 1.056 10 0 DDAEMN COc1ccc(CN2C[C@@H]3OCCN(C(C)=O)C[C@@H]3C2)cc1 ZINC000247955417 257114249 /nfs/dbraw/zinc/11/42/49/257114249.db2.gz SLMPQTZFXUQAPX-RDJZCZTQSA-N 0 1 304.390 1.374 10 0 DDAEMN COc1cccc(CN2CC[C@H]3OCCN(CC4CC4)[C@H]3C2)n1 ZINC000503718268 257209697 /nfs/dbraw/zinc/20/96/97/257209697.db2.gz FLZIGGFPJGPBJU-DLBZAZTESA-N 0 1 317.433 1.775 10 0 DDAEMN CCO[C@@H]1C[C@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478572 286382279 /nfs/dbraw/zinc/38/22/79/286382279.db2.gz FTKAISMCQSYDKQ-PFSRBDOWSA-N 0 1 310.438 1.861 10 0 DDAEMN CCO[C@@H]1C[C@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478572 286382280 /nfs/dbraw/zinc/38/22/80/286382280.db2.gz FTKAISMCQSYDKQ-PFSRBDOWSA-N 0 1 310.438 1.861 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180164383 306694238 /nfs/dbraw/zinc/69/42/38/306694238.db2.gz HMFQJYRBEZJCIE-HNNXBMFYSA-N 0 1 308.470 1.606 10 0 DDAEMN CC(C)N(C(=O)CN1CCCN(c2cccnn2)CC1)C(C)C ZINC000105798293 407355347 /nfs/dbraw/zinc/35/53/47/407355347.db2.gz OCFCLIRDNKDWAE-UHFFFAOYSA-N 0 1 319.453 1.634 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCN1CCCC1=O ZINC000106901134 407365894 /nfs/dbraw/zinc/36/58/94/407365894.db2.gz ASJKKXKEBNPZON-INIZCTEOSA-N 0 1 317.433 1.288 10 0 DDAEMN CNC(=O)c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000109005688 407393874 /nfs/dbraw/zinc/39/38/74/407393874.db2.gz VENMSXSEFRCJNW-HNNXBMFYSA-N 0 1 313.405 1.550 10 0 DDAEMN NC(=O)c1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1F ZINC000111753794 407415885 /nfs/dbraw/zinc/41/58/85/407415885.db2.gz YNGOFAQWBDHJOY-LBPRGKRZSA-N 0 1 320.368 1.627 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccsc2)[C@H]1[NH3+] ZINC000256000213 407479175 /nfs/dbraw/zinc/47/91/75/407479175.db2.gz RUAXIWPBNOJHME-GMTAPVOTSA-N 0 1 312.391 1.432 10 0 DDAEMN COC(=O)c1cc(CN2CC[C@@H](N3CCOCC3)C2)c(C)s1 ZINC000151728250 407485503 /nfs/dbraw/zinc/48/55/03/407485503.db2.gz NYAVIUWZXCMSLV-CQSZACIVSA-N 0 1 324.446 1.750 10 0 DDAEMN COc1c(CN[C@@H](C)CNC(=O)OC(C)(C)C)c(C)nn1C ZINC000227689856 407636096 /nfs/dbraw/zinc/63/60/96/407636096.db2.gz IAVCEAAULYTWNE-JTQLQIEISA-N 0 1 312.414 1.740 10 0 DDAEMN CNC(=O)CC[N@@H+](C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000178990111 407683825 /nfs/dbraw/zinc/68/38/25/407683825.db2.gz FGUWDDIMDIQZGD-CYBMUJFWSA-N 0 1 309.797 1.901 10 0 DDAEMN CCOCCOc1cc(C)ccc1CNC(=O)[C@@H](N)COC ZINC000262168497 407756565 /nfs/dbraw/zinc/75/65/65/407756565.db2.gz ANIBAVMOKBSHPA-AWEZNQCLSA-N 0 1 310.394 1.000 10 0 DDAEMN C[C@@H](NC(=O)CN1CCC(C)CC1)c1nnc2n1CCCC2 ZINC000131680748 407745530 /nfs/dbraw/zinc/74/55/30/407745530.db2.gz SUNCZABARLWGDV-CYBMUJFWSA-N 0 1 305.426 1.524 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000262210407 407766623 /nfs/dbraw/zinc/76/66/23/407766623.db2.gz DWVRLETWEMTAIP-TZMCWYRMSA-N 0 1 312.385 1.709 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1c(C)cc(Br)cc1C ZINC000262267263 407780245 /nfs/dbraw/zinc/78/02/45/407780245.db2.gz JZHGYDAXFABTHI-GFCCVEGCSA-N 0 1 315.211 1.656 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000262275461 407782285 /nfs/dbraw/zinc/78/22/85/407782285.db2.gz LAHPIROPCHLEDY-MRVPVSSYSA-N 0 1 312.420 1.796 10 0 DDAEMN CCOC(=O)CN(CC)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000171982680 407798678 /nfs/dbraw/zinc/79/86/78/407798678.db2.gz WTXOYXNADIMDBI-HNNXBMFYSA-N 0 1 306.406 1.571 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000262323183 407800185 /nfs/dbraw/zinc/80/01/85/407800185.db2.gz QQSBYPFZEBUMMU-AWEZNQCLSA-N 0 1 319.336 1.603 10 0 DDAEMN CC[C@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCN1CCOC ZINC000117308369 407825523 /nfs/dbraw/zinc/82/55/23/407825523.db2.gz OEQVPPQZUWHGHD-HOTGVXAUSA-N 0 1 312.454 1.905 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cnn(C(C)(C)C)c3)CCO2)n[nH]1 ZINC000180119000 407856677 /nfs/dbraw/zinc/85/66/77/407856677.db2.gz GRSVFHIZIPLJTE-CYBMUJFWSA-N 0 1 304.398 1.638 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262556032 407866261 /nfs/dbraw/zinc/86/62/61/407866261.db2.gz WLKCVAZMSOHMHP-MJBXVCDLSA-N 0 1 313.442 1.161 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457747 407880908 /nfs/dbraw/zinc/88/09/08/407880908.db2.gz TTWKNWXKZKZUFW-HZPDHXFCSA-N 0 1 306.406 1.289 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@H](C)OCC3CC3)CCO2)n[nH]1 ZINC000173561305 407887643 /nfs/dbraw/zinc/88/76/43/407887643.db2.gz QDYSBVNHFDFDSL-CMPLNLGQSA-N 0 1 308.382 1.082 10 0 DDAEMN COCCOc1cccc(CN2CCC[C@H](NC(C)=O)C2)c1 ZINC000153839151 407912884 /nfs/dbraw/zinc/91/28/84/407912884.db2.gz MBHLJMIDRSZSJX-INIZCTEOSA-N 0 1 306.406 1.812 10 0 DDAEMN CSC[C@@H](O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187878321 407904768 /nfs/dbraw/zinc/90/47/68/407904768.db2.gz LLTVTDIRLKIJTB-JKSUJKDBSA-N 0 1 310.463 1.062 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCc2ccccn2)CCN1C[C@@H](C)O ZINC000174624763 407970473 /nfs/dbraw/zinc/97/04/73/407970473.db2.gz WFOQNAVDWCSTGZ-WBVHZDCISA-N 0 1 319.449 1.708 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1C[C@@H](C)O ZINC000174641041 407974029 /nfs/dbraw/zinc/97/40/29/407974029.db2.gz ORUJZWQPYDYNNN-DOMZBBRYSA-N 0 1 322.453 1.263 10 0 DDAEMN CCCC1(CNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1 ZINC000154188418 407990733 /nfs/dbraw/zinc/99/07/33/407990733.db2.gz LSAZUDMOLSVXFN-GFCCVEGCSA-N 0 1 307.398 1.776 10 0 DDAEMN CC[C@@H](CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)C(C)C ZINC000263015954 408003267 /nfs/dbraw/zinc/00/32/67/408003267.db2.gz ZLEAFBTWCVILFW-KBPBESRZSA-N 0 1 314.426 1.303 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC000263074002 408019242 /nfs/dbraw/zinc/01/92/42/408019242.db2.gz GHXVNVHPZVURRN-NFOMZHRRSA-N 0 1 306.406 1.787 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2)CCN1C[C@H](C)O ZINC000245787501 408068338 /nfs/dbraw/zinc/06/83/38/408068338.db2.gz ZSVJJSWUECWTRV-ZFWWWQNUSA-N 0 1 306.406 1.618 10 0 DDAEMN O=C(Cc1[nH]nc2ccccc21)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000182101984 408075821 /nfs/dbraw/zinc/07/58/21/408075821.db2.gz IZUUVEIMINUUCK-CQSZACIVSA-N 0 1 310.361 1.977 10 0 DDAEMN COC(=O)C1CCN(C(=O)[C@@H](C)N2CCS[C@@H](C)C2)CC1 ZINC000246123681 408147059 /nfs/dbraw/zinc/14/70/59/408147059.db2.gz LNLUGXXMFISAFW-NWDGAFQWSA-N 0 1 314.451 1.224 10 0 DDAEMN COc1ccc(CNC(=O)CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246147655 408154665 /nfs/dbraw/zinc/15/46/65/408154665.db2.gz FQHQMZLCSGNHGY-INIZCTEOSA-N 0 1 317.433 1.482 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccco2)C1 ZINC000263493426 408157681 /nfs/dbraw/zinc/15/76/81/408157681.db2.gz RZTQUIJUNOAGTG-UHFFFAOYSA-N 0 1 309.366 1.359 10 0 DDAEMN CSc1cncc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263553832 408172293 /nfs/dbraw/zinc/17/22/93/408172293.db2.gz MVLTVRUMSUKPSU-UHFFFAOYSA-N 0 1 322.434 1.938 10 0 DDAEMN COC[C@@H](C)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175658887 408181670 /nfs/dbraw/zinc/18/16/70/408181670.db2.gz QDZVPUOLWBVFBC-OAHLLOKOSA-N 0 1 312.454 1.668 10 0 DDAEMN CCOCCN1CCN(CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000246465158 408263778 /nfs/dbraw/zinc/26/37/78/408263778.db2.gz MJOQPQTXMNURMU-CQSZACIVSA-N 0 1 315.458 1.554 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](COCCOC)C2)C1 ZINC000246583065 408297230 /nfs/dbraw/zinc/29/72/30/408297230.db2.gz ZVKOHFMMQUACJQ-HUUCEWRRSA-N 0 1 313.442 1.165 10 0 DDAEMN CC(C)(C)n1cc(CN[C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000190972243 408350537 /nfs/dbraw/zinc/35/05/37/408350537.db2.gz HQOCEACYMVYJHX-ZDUSSCGKSA-N 0 1 315.425 1.582 10 0 DDAEMN C[C@H](N[C@@H](C)c1cccs1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246845543 408353778 /nfs/dbraw/zinc/35/37/78/408353778.db2.gz HSMYZCRRQWJNEB-DCAQKATOSA-N 0 1 316.448 1.091 10 0 DDAEMN CC(C)CN1CCO[C@H](CNC(=O)N2CCS[C@@H](C)C2)C1 ZINC000171415618 162215585 /nfs/dbraw/zinc/21/55/85/162215585.db2.gz SIWYUXUYGOOWKW-UONOGXRCSA-N 0 1 315.483 1.490 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(Cc3cscn3)CC2)C1 ZINC000171574961 162226223 /nfs/dbraw/zinc/22/62/23/162226223.db2.gz KRCLBRIVBZPGLM-INIZCTEOSA-N 0 1 324.494 1.370 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173524834 162345879 /nfs/dbraw/zinc/34/58/79/162345879.db2.gz JDTAVQWJSAJUSB-ZDUSSCGKSA-N 0 1 320.324 1.231 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000173886896 162372456 /nfs/dbraw/zinc/37/24/56/162372456.db2.gz TYENGAINZCPQSR-GWCFXTLKSA-N 0 1 318.389 1.972 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)n[nH]1 ZINC000161908087 408649017 /nfs/dbraw/zinc/64/90/17/408649017.db2.gz JLHRHXFXCQBJEX-LRDDRELGSA-N 0 1 322.453 1.952 10 0 DDAEMN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184609044 408655978 /nfs/dbraw/zinc/65/59/78/408655978.db2.gz KGQDTVAHAMJMJJ-MRVPVSSYSA-N 0 1 303.322 1.422 10 0 DDAEMN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184609044 408655981 /nfs/dbraw/zinc/65/59/81/408655981.db2.gz KGQDTVAHAMJMJJ-MRVPVSSYSA-N 0 1 303.322 1.422 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(C)c2)CCN1C[C@@H](C)O ZINC000184804749 408693009 /nfs/dbraw/zinc/69/30/09/408693009.db2.gz WPRPCYBVYYFGFF-WBVHZDCISA-N 0 1 319.449 1.982 10 0 DDAEMN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000250280298 408777427 /nfs/dbraw/zinc/77/74/27/408777427.db2.gz CQJSCYKZHRWFPS-ZFWWWQNUSA-N 0 1 313.401 1.809 10 0 DDAEMN CC(=O)CC(C)(C)CC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000191879575 163207185 /nfs/dbraw/zinc/20/71/85/163207185.db2.gz NKZCXMVEVAVDOI-LBPRGKRZSA-N 0 1 308.382 1.408 10 0 DDAEMN CC(C)c1noc(CCC(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000195059282 163304355 /nfs/dbraw/zinc/30/43/55/163304355.db2.gz MHNSMLCGUJSEPJ-ZDUSSCGKSA-N 0 1 306.410 1.822 10 0 DDAEMN CC(C)c1noc(CCC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000195059282 163304358 /nfs/dbraw/zinc/30/43/58/163304358.db2.gz MHNSMLCGUJSEPJ-ZDUSSCGKSA-N 0 1 306.410 1.822 10 0 DDAEMN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN2CCCC[C@@H]2C1 ZINC000195078494 163305923 /nfs/dbraw/zinc/30/59/23/163305923.db2.gz VZLZCBAAMDDNRS-GOEBONIOSA-N 0 1 319.449 1.474 10 0 DDAEMN COCc1cc(N2CCN([C@H](C)CO)CC2)nc(C(C)(C)C)n1 ZINC000301776403 410792645 /nfs/dbraw/zinc/79/26/45/410792645.db2.gz GTDPBKGHRKBCSH-CYBMUJFWSA-N 0 1 322.453 1.423 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2cccnc2N)C1 ZINC000616600835 422517590 /nfs/dbraw/zinc/51/75/90/422517590.db2.gz CEDDAHNZKIDRHP-ZDUSSCGKSA-N 0 1 321.425 1.135 10 0 DDAEMN CN1C[C@H](C[NH2+]Cc2cccc([O-])c2Br)CC1=O ZINC000657696956 424478884 /nfs/dbraw/zinc/47/88/84/424478884.db2.gz OMPICBNVBYODFV-VIFPVBQESA-N 0 1 313.195 1.723 10 0 DDAEMN CC(C)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)N1CCN(C)CC1 ZINC000191677497 276017965 /nfs/dbraw/zinc/01/79/65/276017965.db2.gz JFQPAUBZFBXRSJ-XHSDSOJGSA-N 0 1 311.470 1.190 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccccc2C(=O)OC)CC1 ZINC000123462316 276536675 /nfs/dbraw/zinc/53/66/75/276536675.db2.gz NSABKTQURANBIF-OAHLLOKOSA-N 0 1 306.406 1.362 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2CCn3cncc3C2)n[nH]1 ZINC000328667744 293362178 /nfs/dbraw/zinc/36/21/78/293362178.db2.gz DRSYOZFNBFEABM-OCCSQVGLSA-N 0 1 314.393 1.626 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c(Cl)c1 ZINC000170873632 298223864 /nfs/dbraw/zinc/22/38/64/298223864.db2.gz CFQQSCNZUXOKKC-NSHDSACASA-N 0 1 302.827 1.973 10 0 DDAEMN CCOC(=O)C[C@H](Cc1cc(=O)n(C)[nH]1)c1ccc(OC)nc1 ZINC000584656673 337378064 /nfs/dbraw/zinc/37/80/64/337378064.db2.gz ADPSXIKEIKZMMJ-LBPRGKRZSA-N 0 1 319.361 1.809 10 0 DDAEMN O=C1[C@H](N2CCC(c3cc[nH]n3)CC2)CCN1C1CCOCC1 ZINC000328634457 534840337 /nfs/dbraw/zinc/84/03/37/534840337.db2.gz BMEADMIGMQLGLH-MRXNPFEDSA-N 0 1 318.421 1.369 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000120781381 696700783 /nfs/dbraw/zinc/70/07/83/696700783.db2.gz FACKVNWUVOWRND-GFCCVEGCSA-N 0 1 314.861 1.788 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(CCOC)[C@H](C)C1 ZINC000120781381 696700785 /nfs/dbraw/zinc/70/07/85/696700785.db2.gz FACKVNWUVOWRND-GFCCVEGCSA-N 0 1 314.861 1.788 10 0 DDAEMN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC000177174614 697410510 /nfs/dbraw/zinc/41/05/10/697410510.db2.gz CVTBIGZZDSNHOU-NSHDSACASA-N 0 1 323.397 1.253 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177194690 697410797 /nfs/dbraw/zinc/41/07/97/697410797.db2.gz VANXUCUXGQMELS-INIZCTEOSA-N 0 1 315.421 1.156 10 0 DDAEMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCO[C@H]1C ZINC000192194546 697622456 /nfs/dbraw/zinc/62/24/56/697622456.db2.gz LCWCNHPTEGUALV-BFHYXJOUSA-N 0 1 310.394 1.442 10 0 DDAEMN CCCN1CCN(c2ncnc3c2NC(=O)[C@H](C(C)C)N3)CC1 ZINC000223991322 697763704 /nfs/dbraw/zinc/76/37/04/697763704.db2.gz MSFHBWUNYIUCPZ-LBPRGKRZSA-N 0 1 318.425 1.397 10 0 DDAEMN COCCN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000247039318 698360441 /nfs/dbraw/zinc/36/04/41/698360441.db2.gz DQDWDBQWGRQKPC-MLGOLLRUSA-N 0 1 314.376 1.651 10 0 DDAEMN CSc1ccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262821877 698481142 /nfs/dbraw/zinc/48/11/42/698481142.db2.gz GWHYUAVTIZJBDR-CQSZACIVSA-N 0 1 324.446 1.626 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(OC)c2F)C1 ZINC000263123425 698492386 /nfs/dbraw/zinc/49/23/86/698492386.db2.gz KVVAIYMTLPDZMH-UHFFFAOYSA-N 0 1 324.352 1.502 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cccc3c2OCCO3)C1 ZINC000263536086 698512145 /nfs/dbraw/zinc/51/21/45/698512145.db2.gz ZGSCCFHRKWIRFP-UHFFFAOYSA-N 0 1 320.389 1.485 10 0 DDAEMN Cc1nc(CN[C@H]2CCOC[C@@H]2O)sc1Br ZINC000719258834 699299839 /nfs/dbraw/zinc/29/98/39/699299839.db2.gz MCRGLNQSLYXUPX-YUMQZZPRSA-N 0 1 307.213 1.453 10 0 DDAEMN Cn1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c1 ZINC000818189751 702602039 /nfs/dbraw/zinc/60/20/39/702602039.db2.gz WDKUWTXYZIYKHI-KRWDZBQOSA-N 0 1 316.405 1.855 10 0 DDAEMN O[C@@H]1C[C@H](NCc2ccnn2C2CCCC2)[C@H]1n1cccn1 ZINC000888076216 709209062 /nfs/dbraw/zinc/20/90/62/709209062.db2.gz JRTQLOGEPPFPIG-ARFHVFGLSA-N 0 1 301.394 1.659 10 0 DDAEMN COc1ncc(Cl)c(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)n1 ZINC000888094404 709211065 /nfs/dbraw/zinc/21/10/65/709211065.db2.gz LXNPJYWXIRPKMS-WPRPVWTQSA-N 0 1 324.772 1.755 10 0 DDAEMN CCc1nc(CN2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)n[nH]1 ZINC000888102718 709214127 /nfs/dbraw/zinc/21/41/27/709214127.db2.gz IJEKLEJQYDSIIF-NEPJUHHUSA-N 0 1 304.398 1.669 10 0 DDAEMN Cc1[nH]nc(-c2ccco2)c1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000074666555 185007220 /nfs/dbraw/zinc/00/72/20/185007220.db2.gz GNJWWKAISSFNIN-SNVBAGLBSA-N 0 1 323.374 1.237 10 0 DDAEMN CC(C)(C)c1ccccc1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000074731511 185014299 /nfs/dbraw/zinc/01/42/99/185014299.db2.gz XFYOKQGYYFWBGD-UHFFFAOYSA-N 0 1 301.346 1.542 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000248638793 282095171 /nfs/dbraw/zinc/09/51/71/282095171.db2.gz BCZIEKFOBNXHEI-UONOGXRCSA-N 0 1 308.413 1.825 10 0 DDAEMN Cc1csc2nc(C)c(CN[C@@H](C)CS(C)(=O)=O)n12 ZINC000081902264 192336286 /nfs/dbraw/zinc/33/62/86/192336286.db2.gz XGZHGXNCFZCETE-QMMMGPOBSA-N 0 1 301.437 1.535 10 0 DDAEMN C[C@H](C(=O)c1ccc(Cl)cc1)[S@](=O)CCS(C)(=O)=O ZINC000081910165 192338382 /nfs/dbraw/zinc/33/83/82/192338382.db2.gz VYZHMQPCMWRFNZ-LZVRBXCZSA-N 0 1 322.835 1.705 10 0 DDAEMN CNc1ncc(Br)cc1C(=O)NCCc1cnc[nH]1 ZINC000087546614 185228141 /nfs/dbraw/zinc/22/81/41/185228141.db2.gz LLMWOJMCQMDLMM-UHFFFAOYSA-N 0 1 324.182 1.581 10 0 DDAEMN O=c1cc(CN2CC[C@H](Oc3cccnc3)C2)nc2ccccn12 ZINC000152515876 539201387 /nfs/dbraw/zinc/20/13/87/539201387.db2.gz FZHNJMQJWHHGBG-INIZCTEOSA-N 0 1 322.368 1.743 10 0 DDAEMN Cc1nc(CN(C)C(=O)c2ccc3nc(N)sc3c2)n[nH]1 ZINC000087847821 185233475 /nfs/dbraw/zinc/23/34/75/185233475.db2.gz AUKNRCXTEQRFGR-UHFFFAOYSA-N 0 1 302.363 1.577 10 0 DDAEMN CCCCS(=O)(=O)C[C@H](N)c1ccc(OC)c(OC)c1 ZINC000081973974 192348110 /nfs/dbraw/zinc/34/81/10/192348110.db2.gz AOAGNTSJPVHZJO-LBPRGKRZSA-N 0 1 301.408 1.919 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](NC)c1ccc(C)cc1C ZINC000081977140 192348200 /nfs/dbraw/zinc/34/82/00/192348200.db2.gz MFBHPJZTVDGYIE-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000081974477 192348435 /nfs/dbraw/zinc/34/84/35/192348435.db2.gz NYOHOWKYZMPPAX-CABCVRRESA-N 0 1 313.419 1.689 10 0 DDAEMN CC[C@H](C(N)=S)S(=O)(=O)Nc1ccsc1C(=O)OC ZINC000088487595 185253380 /nfs/dbraw/zinc/25/33/80/185253380.db2.gz HOOARZSEPPCGPL-SSDOTTSWSA-N 0 1 322.433 1.341 10 0 DDAEMN Cc1cc(C)c2c(N)c(C(=O)N[C@H]3CCN(C)C3)sc2n1 ZINC000088641680 185261031 /nfs/dbraw/zinc/26/10/31/185261031.db2.gz WAJLSHJCNNWVNR-JTQLQIEISA-N 0 1 304.419 1.929 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCC[C@H](C(C)C)CC1 ZINC000088902487 185270600 /nfs/dbraw/zinc/27/06/00/185270600.db2.gz HYTUOVKMDRAABZ-LBPRGKRZSA-N 0 1 315.439 1.657 10 0 DDAEMN CC[N@H+](Cc1c(C)nn(C)c1Cl)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090475896 185298279 /nfs/dbraw/zinc/29/82/79/185298279.db2.gz LVCCMDHDBJMHAS-WDEREUQCSA-N 0 1 301.774 1.303 10 0 DDAEMN CC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090475896 185298280 /nfs/dbraw/zinc/29/82/80/185298280.db2.gz LVCCMDHDBJMHAS-WDEREUQCSA-N 0 1 301.774 1.303 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092621838 185329730 /nfs/dbraw/zinc/32/97/30/185329730.db2.gz HMNFYQVJSSBTMK-JTQLQIEISA-N 0 1 301.387 1.123 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC[C@@H]1c1ccsc1 ZINC000092780545 185340328 /nfs/dbraw/zinc/34/03/28/185340328.db2.gz LVVMMUQIBMWAHY-TZMCWYRMSA-N 0 1 302.403 1.849 10 0 DDAEMN O=C(NCCc1cccc(Cl)c1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092781379 185340457 /nfs/dbraw/zinc/34/04/57/185340457.db2.gz CJIRPZBHBGBLTH-CYBMUJFWSA-N 0 1 304.781 1.436 10 0 DDAEMN CC(C)(C)c1csc(NC(=O)[C@H]2Cc3nc[nH]c3CN2)n1 ZINC000092781716 185340547 /nfs/dbraw/zinc/34/05/47/185340547.db2.gz GJLIDBLPHVFNQG-SECBINFHSA-N 0 1 305.407 1.817 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000181413855 199293277 /nfs/dbraw/zinc/29/32/77/199293277.db2.gz XTNJRNBGKQUXQN-ZIAGYGMSSA-N 0 1 320.437 1.671 10 0 DDAEMN COCCN1CCN(Cc2ncn(-c3ccccc3)n2)C[C@@H]1C ZINC000181562148 199317488 /nfs/dbraw/zinc/31/74/88/199317488.db2.gz BBRHRZUKICCCOB-HNNXBMFYSA-N 0 1 315.421 1.420 10 0 DDAEMN COC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000181629625 199329397 /nfs/dbraw/zinc/32/93/97/199329397.db2.gz AKNRNNOBKQHIDE-BDAKNGLRSA-N 0 1 300.305 1.293 10 0 DDAEMN CCc1noc([C@H](C)N2CCN(Cc3n[nH]c(CC)n3)CC2)n1 ZINC000181690631 199339142 /nfs/dbraw/zinc/33/91/42/199339142.db2.gz XZZYABZEYPMUBX-NSHDSACASA-N 0 1 319.413 1.191 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](c2nnn[n-]2)C1 ZINC000616629502 362763290 /nfs/dbraw/zinc/76/32/90/362763290.db2.gz MUXQZSKAYRWUDS-LLVKDONJSA-N 0 1 310.402 1.294 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2nnn[n-]2)C1 ZINC000616629502 362763298 /nfs/dbraw/zinc/76/32/98/362763298.db2.gz MUXQZSKAYRWUDS-LLVKDONJSA-N 0 1 310.402 1.294 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2nn[nH]n2)C1 ZINC000616629502 362763305 /nfs/dbraw/zinc/76/33/05/362763305.db2.gz MUXQZSKAYRWUDS-LLVKDONJSA-N 0 1 310.402 1.294 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1cnc[nH]1 ZINC000616646087 362767295 /nfs/dbraw/zinc/76/72/95/362767295.db2.gz NUNLSYLRKGXIGB-CYBMUJFWSA-N 0 1 310.398 1.698 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccc(Br)s1 ZINC000084081485 192399891 /nfs/dbraw/zinc/39/98/91/192399891.db2.gz YASBUEINBRCYIJ-UHFFFAOYSA-N 0 1 322.209 1.712 10 0 DDAEMN CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(OC)c1 ZINC000071556509 190990530 /nfs/dbraw/zinc/99/05/30/190990530.db2.gz RJUVSVNTHANWOA-UHFFFAOYSA-N 0 1 320.370 1.856 10 0 DDAEMN COc1ccc2nc([C@H](C)N3CCN(C(C)=O)CC3)[nH]c2c1 ZINC000071675545 191004752 /nfs/dbraw/zinc/00/47/52/191004752.db2.gz MQIDQCZTKAYJTE-NSHDSACASA-N 0 1 302.378 1.797 10 0 DDAEMN COC(=O)[C@]1(C)CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000177888081 186199245 /nfs/dbraw/zinc/19/92/45/186199245.db2.gz LPXCBIHNEDBYOK-CRAIPNDOSA-N 0 1 318.417 1.571 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2ccccc2)CCN1CCOC ZINC000172275525 198069410 /nfs/dbraw/zinc/06/94/10/198069410.db2.gz VWQTWEVHTYYTGF-KRWDZBQOSA-N 0 1 319.449 1.981 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173686876 198241078 /nfs/dbraw/zinc/24/10/78/198241078.db2.gz YBCKLNDBVIUZLY-NSHDSACASA-N 0 1 324.816 1.636 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174017807 198281243 /nfs/dbraw/zinc/28/12/43/198281243.db2.gz REUWTDXQRVJYRZ-CQSZACIVSA-N 0 1 317.397 1.289 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174070837 198288439 /nfs/dbraw/zinc/28/84/39/198288439.db2.gz FCRNKLXNDUXVPJ-CVEARBPZSA-N 0 1 312.841 1.762 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC000174093658 198290276 /nfs/dbraw/zinc/29/02/76/198290276.db2.gz FKUCUWURGWQELJ-IRXDYDNUSA-N 0 1 322.449 1.123 10 0 DDAEMN Cn1cc([C@H]2CCN(C(=O)[C@H]3NCCc4ccccc43)C2)cn1 ZINC000169165962 354251164 /nfs/dbraw/zinc/25/11/64/354251164.db2.gz ISSHXOQUTBRXHS-YOEHRIQHSA-N 0 1 310.401 1.623 10 0 DDAEMN CN[C@@H](C)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536958264 354692875 /nfs/dbraw/zinc/69/28/75/354692875.db2.gz XXVMBNPORZHYNV-JTQLQIEISA-N 0 1 310.402 1.142 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@H](c2ccccc2OC(F)(F)F)NC1 ZINC000080106161 192002231 /nfs/dbraw/zinc/00/22/31/192002231.db2.gz BROZAFODWDYUAU-WCBMZHEXSA-N 0 1 324.324 1.667 10 0 DDAEMN CC(=O)c1csc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC000080873103 192196341 /nfs/dbraw/zinc/19/63/41/192196341.db2.gz KYIBAWJXSDDQTI-NSHDSACASA-N 0 1 305.359 1.560 10 0 DDAEMN C[C@H]1CN(S(=O)(=O)c2ccccc2CNC2CC2)CCO1 ZINC000088913779 192655353 /nfs/dbraw/zinc/65/53/53/192655353.db2.gz HFSMTQYMBROHLX-LBPRGKRZSA-N 0 1 310.419 1.348 10 0 DDAEMN CNCc1c(C)oc(C)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000088912143 192653012 /nfs/dbraw/zinc/65/30/12/192653012.db2.gz JYBSMTBJIILWLD-AOOOYVTPSA-N 0 1 316.423 1.414 10 0 DDAEMN CCn1nc(C)c(Br)c1CNCCC(=O)OC ZINC000089276589 192756298 /nfs/dbraw/zinc/75/62/98/192756298.db2.gz ULXIRLVBERFJRE-UHFFFAOYSA-N 0 1 304.188 1.627 10 0 DDAEMN CC(C)c1nnc2n1C[C@H](NCc1c(Cl)cnn1C)CC2 ZINC000189109808 200350088 /nfs/dbraw/zinc/35/00/88/200350088.db2.gz BGTWLRVNQLAGQP-SNVBAGLBSA-N 0 1 308.817 1.893 10 0 DDAEMN C=Cn1cc(CN2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000193909296 201143993 /nfs/dbraw/zinc/14/39/93/201143993.db2.gz HNMOKOFQGAAKMJ-UHFFFAOYSA-N 0 1 300.410 1.425 10 0 DDAEMN CCC[C@H]1SC[C@H](C(=O)[O-])N1C(=O)c1csc(C[NH3+])n1 ZINC000090931949 192954751 /nfs/dbraw/zinc/95/47/51/192954751.db2.gz IFQSXSJSFBQDGN-PSASIEDQSA-N 0 1 315.420 1.370 10 0 DDAEMN C[C@@H](CO)CSC[C@@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000091258752 193028347 /nfs/dbraw/zinc/02/83/47/193028347.db2.gz ONQXHRHOQNTTGL-LRDDRELGSA-N 0 1 308.447 1.481 10 0 DDAEMN CSC1(C(N)=S)CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000091478121 193062120 /nfs/dbraw/zinc/06/21/20/193062120.db2.gz HREDLSZNUISNSB-SECBINFHSA-N 0 1 301.481 1.137 10 0 DDAEMN O=C([C@H](c1ccccc1)N1C[C@@H](O)C[C@@H]1CO)N1CCCCC1 ZINC000249289437 296090842 /nfs/dbraw/zinc/09/08/42/296090842.db2.gz KAZFZVSSLKZXEC-IKGGRYGDSA-N 0 1 318.417 1.168 10 0 DDAEMN Cc1nsc(N(C)C(=O)c2csc(C[NH3+])n2)c1C(=O)[O-] ZINC000093015610 193194270 /nfs/dbraw/zinc/19/42/70/193194270.db2.gz LTBONOVDCNOEHK-UHFFFAOYSA-N 0 1 312.376 1.342 10 0 DDAEMN CC1(C)CN(C(=O)[C@@H](N)CCS(C)(=O)=O)Cc2ccccc21 ZINC000262596066 203344679 /nfs/dbraw/zinc/34/46/79/203344679.db2.gz WRGQOOXYJJJSHZ-AWEZNQCLSA-N 0 1 324.446 1.068 10 0 DDAEMN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC(F)(F)F ZINC000093681604 193288375 /nfs/dbraw/zinc/28/83/75/193288375.db2.gz XBDCAOQXCWNGAT-PBINXNQUSA-N 0 1 308.300 1.383 10 0 DDAEMN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC(F)(F)F ZINC000093681604 193288377 /nfs/dbraw/zinc/28/83/77/193288377.db2.gz XBDCAOQXCWNGAT-PBINXNQUSA-N 0 1 308.300 1.383 10 0 DDAEMN CC[N@H+]1CC[C@@H](CNC(=O)c2csc(/C=C/C(=O)[O-])c2)C1 ZINC000093977114 193334142 /nfs/dbraw/zinc/33/41/42/193334142.db2.gz ONHWGECAFUQZDX-UFFNRZRYSA-N 0 1 308.403 1.918 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N(C)CCN2CCCC2)c1 ZINC000094358712 193364336 /nfs/dbraw/zinc/36/43/36/193364336.db2.gz LGUCAOHMGOYURX-UHFFFAOYSA-N 0 1 311.451 1.602 10 0 DDAEMN C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000094218133 193349528 /nfs/dbraw/zinc/34/95/28/193349528.db2.gz GSBBAJLTIINWES-NHRVJRKFSA-N 0 1 310.316 1.770 10 0 DDAEMN CN(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[C@H]1CCC[N@@H+](C)C1 ZINC000094226660 193351367 /nfs/dbraw/zinc/35/13/67/193351367.db2.gz AMUWXVZCEMBAOG-GZMMTYOYSA-N 0 1 311.304 1.128 10 0 DDAEMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1(C(N)=S)CCCC1 ZINC000094447285 193370722 /nfs/dbraw/zinc/37/07/22/193370722.db2.gz OBDNYNOIAUMUBP-QWHCGFSZSA-N 0 1 309.479 1.918 10 0 DDAEMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779057 193396114 /nfs/dbraw/zinc/39/61/14/193396114.db2.gz DHTNKCNSIVIRBI-LLVKDONJSA-N 0 1 315.414 1.479 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501815 183083426 /nfs/dbraw/zinc/08/34/26/183083426.db2.gz OBSHRSDSVWYXDJ-JTQLQIEISA-N 0 1 317.842 1.685 10 0 DDAEMN Cc1nc2ccc(NS(=O)(=O)c3ccc(=O)[nH]c3)cc2[nH]1 ZINC000040830036 183139048 /nfs/dbraw/zinc/13/90/48/183139048.db2.gz LIQDOUUNMMJBPE-UHFFFAOYSA-N 0 1 304.331 1.360 10 0 DDAEMN Cc1nc(Sc2ccc(S(=O)(=O)N(C)C)cc2N)n[nH]1 ZINC000041632450 183212484 /nfs/dbraw/zinc/21/24/84/183212484.db2.gz CEETVHQMZAEHOF-UHFFFAOYSA-N 0 1 313.408 1.097 10 0 DDAEMN Cc1n[nH]c(Sc2ccc(S(=O)(=O)N(C)C)cc2N)n1 ZINC000041632450 183212486 /nfs/dbraw/zinc/21/24/86/183212486.db2.gz CEETVHQMZAEHOF-UHFFFAOYSA-N 0 1 313.408 1.097 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000041679128 183216448 /nfs/dbraw/zinc/21/64/48/183216448.db2.gz RGIBQKSOQHLNOX-UHFFFAOYSA-N 0 1 305.831 1.697 10 0 DDAEMN CS(=O)(=O)CC[NH+]1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000042326512 183254409 /nfs/dbraw/zinc/25/44/09/183254409.db2.gz NPQUSULLGWEHAG-UHFFFAOYSA-N 0 1 311.403 1.149 10 0 DDAEMN O=C(CCNC(=O)N1CCN2CCCC[C@H]2C1)N1CCCCC1 ZINC000105123520 194076849 /nfs/dbraw/zinc/07/68/49/194076849.db2.gz VSCTZWHQKTXAKK-HNNXBMFYSA-N 0 1 322.453 1.269 10 0 DDAEMN CCN(C(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000105822764 194137044 /nfs/dbraw/zinc/13/70/44/194137044.db2.gz QBDITYWMPCOEHA-HZPDHXFCSA-N 0 1 319.449 1.426 10 0 DDAEMN CC(C)CCc1noc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000105824567 194138862 /nfs/dbraw/zinc/13/88/62/194138862.db2.gz OQNBGYLLTVJGTG-ZIAGYGMSSA-N 0 1 310.442 1.545 10 0 DDAEMN Cc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000105911355 194168815 /nfs/dbraw/zinc/16/88/15/194168815.db2.gz FCMOSEGNQFQQEC-UHFFFAOYSA-N 0 1 308.389 1.755 10 0 DDAEMN CCNc1ccccc1S(=O)(=O)N[C@H](CN(C)C)C(C)C ZINC000050672933 183798388 /nfs/dbraw/zinc/79/83/88/183798388.db2.gz IFLWSCZUBZHMGA-CQSZACIVSA-N 0 1 313.467 1.983 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)Cc2ccsc2)CC1 ZINC000109461709 194265564 /nfs/dbraw/zinc/26/55/64/194265564.db2.gz RVVHNLPARPBBIQ-GFCCVEGCSA-N 0 1 311.476 1.500 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000109465436 194265603 /nfs/dbraw/zinc/26/56/03/194265603.db2.gz IFLZQVBDKGJWLN-UHFFFAOYSA-N 0 1 309.410 1.648 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(N)cc1Cl)N1CCN(C)[C@@H](C)C1 ZINC000110700025 194351677 /nfs/dbraw/zinc/35/16/77/194351677.db2.gz NTQMUGMFVBJISE-QWRGUYRKSA-N 0 1 310.829 1.885 10 0 DDAEMN COCCNC(=O)[C@H](C)NCc1ccccc1C(F)(F)F ZINC000061626719 184179291 /nfs/dbraw/zinc/17/92/91/184179291.db2.gz OWNSCDGJPPJYCV-JTQLQIEISA-N 0 1 304.312 1.946 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(N)ccc1F ZINC000061642586 184180475 /nfs/dbraw/zinc/18/04/75/184180475.db2.gz XFWOXOZEOPDKMS-LLVKDONJSA-N 0 1 301.387 1.123 10 0 DDAEMN CN(CCNS(=O)(=O)c1ccc(N)cc1Cl)C1CC1 ZINC000061992534 184200267 /nfs/dbraw/zinc/20/02/67/184200267.db2.gz JURFCZFMKPGJJV-UHFFFAOYSA-N 0 1 303.815 1.295 10 0 DDAEMN CN(CCNS(=O)(=O)c1cc(N)cc(Cl)c1F)C1CC1 ZINC000061992595 184200303 /nfs/dbraw/zinc/20/03/03/184200303.db2.gz UXHOZCSQTZLWDI-UHFFFAOYSA-N 0 1 321.805 1.434 10 0 DDAEMN CN(CCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000061994002 184200663 /nfs/dbraw/zinc/20/06/63/184200663.db2.gz SOWDKNYVXRXIKY-AWEZNQCLSA-N 0 1 312.410 1.728 10 0 DDAEMN COc1cc(CNC(=O)c2cnc(NN)c(Cl)c2)ccn1 ZINC000062070797 184204539 /nfs/dbraw/zinc/20/45/39/184204539.db2.gz PEYJHTFWOPENLE-UHFFFAOYSA-N 0 1 307.741 1.354 10 0 DDAEMN O=C([O-])c1ccsc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000062827711 184254775 /nfs/dbraw/zinc/25/47/75/184254775.db2.gz ZQFRMPZRXMHAAI-UHFFFAOYSA-N 0 1 313.379 1.290 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)NCCOC)C1 ZINC000062877965 184258202 /nfs/dbraw/zinc/25/82/02/184258202.db2.gz LRLAQLWTWUUAJV-WFASDCNBSA-N 0 1 300.399 1.104 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000062937909 184261276 /nfs/dbraw/zinc/26/12/76/184261276.db2.gz QAYQMTKTQSGJEZ-AWEZNQCLSA-N 0 1 311.407 1.967 10 0 DDAEMN O=S1(=O)CC[C@@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000062653158 184246487 /nfs/dbraw/zinc/24/64/87/184246487.db2.gz WASLKTRGZYGVCH-GFCCVEGCSA-N 0 1 307.375 1.056 10 0 DDAEMN COCCOc1cccc(CN2CCN(CCOC)[C@H](C)C2)c1 ZINC000120790557 195238455 /nfs/dbraw/zinc/23/84/55/195238455.db2.gz KUQVMFUAEPFXSZ-MRXNPFEDSA-N 0 1 322.449 1.864 10 0 DDAEMN CN1[C@H]2CN(Cc3ccoc3)C[C@H]2C[C@H]1C(=O)NCC1CC1 ZINC000248041309 257110357 /nfs/dbraw/zinc/11/03/57/257110357.db2.gz OLYDEGYQTIHVBY-PMPSAXMXSA-N 0 1 303.406 1.310 10 0 DDAEMN CC(C)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C ZINC000248064864 257110921 /nfs/dbraw/zinc/11/09/21/257110921.db2.gz VTIZPKZZKFSDOX-CYBMUJFWSA-N 0 1 306.410 1.039 10 0 DDAEMN O=C([C@@H]1CC[C@H]2[C@H](CCN2Cc2ccoc2)O1)N1CCCCO1 ZINC000247803465 257117832 /nfs/dbraw/zinc/11/78/32/257117832.db2.gz XHRLQKDXESLRGH-JYJNAYRXSA-N 0 1 320.389 1.956 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccco2)C[C@@H]2OCC[C@@H]21)N1CCCCO1 ZINC000247766774 257118382 /nfs/dbraw/zinc/11/83/82/257118382.db2.gz LGGCZDKCUIMCEY-OAGGEKHMSA-N 0 1 320.389 1.671 10 0 DDAEMN c1csc(CN2CC[C@@H]3CO[C@@H](CN4CCOCC4)[C@@H]3C2)n1 ZINC000253596943 257105847 /nfs/dbraw/zinc/10/58/47/257105847.db2.gz YKHLMYUBVXAMSM-KFWWJZLASA-N 0 1 323.462 1.312 10 0 DDAEMN CCn1cc(CN2CCCN(Cc3ccnn3C)CC2)cn1 ZINC000121640290 195321772 /nfs/dbraw/zinc/32/17/72/195321772.db2.gz IDOMOUSYJBKNQS-UHFFFAOYSA-N 0 1 302.426 1.344 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccccc2OCCOC)CC1 ZINC000123585818 407333531 /nfs/dbraw/zinc/33/35/31/407333531.db2.gz RLRIBDCAKGKCKA-QGZVFWFLSA-N 0 1 322.449 1.600 10 0 DDAEMN Cc1cc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)no1 ZINC000105845642 407355415 /nfs/dbraw/zinc/35/54/15/407355415.db2.gz IVNCELZILOVRCC-QGZVFWFLSA-N 0 1 322.453 1.210 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000123600413 407334131 /nfs/dbraw/zinc/33/41/31/407334131.db2.gz CIPRZERZMLSIRT-INIZCTEOSA-N 0 1 305.422 1.534 10 0 DDAEMN C[C@@]1(C(N)=O)CCCCN1C[C@H](O)COCc1ccccc1 ZINC000185925272 407541304 /nfs/dbraw/zinc/54/13/04/407541304.db2.gz JUXJCLGIOVGCAQ-RDJZCZTQSA-N 0 1 306.406 1.294 10 0 DDAEMN CCCC[C@H](COC)NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000186246512 407620275 /nfs/dbraw/zinc/62/02/75/407620275.db2.gz ZAZMIWYDAZFGNC-RBSFLKMASA-N 0 1 315.458 1.288 10 0 DDAEMN CCc1cc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)n[nH]1 ZINC000171335627 407662000 /nfs/dbraw/zinc/66/20/00/407662000.db2.gz GNVIISLNMOYBKE-NSHDSACASA-N 0 1 303.366 1.758 10 0 DDAEMN Cc1cccc(CC(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000186657091 407733387 /nfs/dbraw/zinc/73/33/87/407733387.db2.gz IKJUYQHGKYUOGZ-INIZCTEOSA-N 0 1 318.417 1.935 10 0 DDAEMN OC[C@H]1C[C@H](O)CN1Cc1ccccc1OCC(F)(F)F ZINC000179180860 407747154 /nfs/dbraw/zinc/74/71/54/407747154.db2.gz JMXQADAMMNTIIG-NEPJUHHUSA-N 0 1 305.296 1.555 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(C)s1 ZINC000171770858 407764550 /nfs/dbraw/zinc/76/45/50/407764550.db2.gz HECMRAOWCAGPLK-GFCCVEGCSA-N 0 1 300.449 1.834 10 0 DDAEMN CCC[C@H](C(=O)N1CC[S@@](=O)C(CC)(CC)C1)N(C)C ZINC000186784386 407769635 /nfs/dbraw/zinc/76/96/35/407769635.db2.gz FWJRKWDVPZNPIZ-ZUOKHONESA-N 0 1 302.484 1.866 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000262264478 407777803 /nfs/dbraw/zinc/77/78/03/407777803.db2.gz JTMBEIGAZHCCLF-SNVBAGLBSA-N 0 1 318.320 1.229 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262303969 407790886 /nfs/dbraw/zinc/79/08/86/407790886.db2.gz BCDGOSHYQZTNLI-CHWSQXEVSA-N 0 1 320.393 1.032 10 0 DDAEMN CN(CCOCCO)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000132522499 407788431 /nfs/dbraw/zinc/78/84/31/407788431.db2.gz LQZKABRPVFISMH-UONOGXRCSA-N 0 1 320.216 1.892 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 ZINC000262381795 407818596 /nfs/dbraw/zinc/81/85/96/407818596.db2.gz XYNONGDHSUJGOZ-GFCCVEGCSA-N 0 1 321.377 1.124 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1CCOC ZINC000117426050 407835101 /nfs/dbraw/zinc/83/51/01/407835101.db2.gz JTDCPQJFELOIGV-MRXNPFEDSA-N 0 1 319.449 1.935 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262447293 407837092 /nfs/dbraw/zinc/83/70/92/407837092.db2.gz GTYQOBUAYQJACY-QWHCGFSZSA-N 0 1 313.442 1.161 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3cccc(O)c3)CCO2)n[nH]1 ZINC000180085988 407852478 /nfs/dbraw/zinc/85/24/78/407852478.db2.gz XZYFAJUWAAEMBZ-GJBLVYBDSA-N 0 1 314.345 1.432 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000173985377 407907974 /nfs/dbraw/zinc/90/79/74/407907974.db2.gz VEYZXVYXNZRYAD-YOEHRIQHSA-N 0 1 321.465 1.182 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000118856439 407954233 /nfs/dbraw/zinc/95/42/33/407954233.db2.gz OHACECQKJBFWNV-HOTGVXAUSA-N 0 1 311.470 1.166 10 0 DDAEMN CCS(=O)(=O)CCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000118396111 407914040 /nfs/dbraw/zinc/91/40/40/407914040.db2.gz DVCQMGASAHCLOV-CQSZACIVSA-N 0 1 311.451 1.559 10 0 DDAEMN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262790572 407932993 /nfs/dbraw/zinc/93/29/93/407932993.db2.gz RRKOEZDOZGMPKR-HQJQHLMTSA-N 0 1 308.325 1.380 10 0 DDAEMN CN1CCO[C@@H](CN[C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000245681489 408042985 /nfs/dbraw/zinc/04/29/85/408042985.db2.gz MRACXZWJEAOADP-ZFWWWQNUSA-N 0 1 321.396 1.241 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N(C)C(C)C)C[C@H]1CC ZINC000245477176 407997310 /nfs/dbraw/zinc/99/73/10/407997310.db2.gz UGKFLYVZPKGWSO-HZPDHXFCSA-N 0 1 313.486 1.674 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccn2)CCN1C[C@@H](C)O ZINC000181525851 408008444 /nfs/dbraw/zinc/00/84/44/408008444.db2.gz GULKJEUVWZIHQY-HIFRSBDPSA-N 0 1 306.410 1.068 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCC2=CCCC2)CCN1C[C@@H](C)O ZINC000182043308 408068300 /nfs/dbraw/zinc/06/83/00/408068300.db2.gz QJNQXYSMLRTLHF-ZBFHGGJFSA-N 0 1 309.454 1.973 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2F)C1 ZINC000154933262 408104402 /nfs/dbraw/zinc/10/44/02/408104402.db2.gz QWPXENROUIITMS-NSHDSACASA-N 0 1 323.368 1.373 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000175390378 408118292 /nfs/dbraw/zinc/11/82/92/408118292.db2.gz RVGOVQDNEBICFK-CQSZACIVSA-N 0 1 324.446 1.726 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC3(C2)CCCC3)C1 ZINC000263375803 408122559 /nfs/dbraw/zinc/12/25/59/408122559.db2.gz BWYDRPCDHSFYCU-UHFFFAOYSA-N 0 1 309.410 1.510 10 0 DDAEMN CCOCCN1CCN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1C ZINC000246253651 408194617 /nfs/dbraw/zinc/19/46/17/408194617.db2.gz SUZAGSKBVWHDTH-CQSZACIVSA-N 0 1 320.437 1.330 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(C)c2O)C1 ZINC000263473468 408149590 /nfs/dbraw/zinc/14/95/90/408149590.db2.gz YOQYUHADTCMZNJ-UHFFFAOYSA-N 0 1 306.362 1.368 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(N3CCCC3)ncn2)C1 ZINC000263553396 408173441 /nfs/dbraw/zinc/17/34/41/408173441.db2.gz MPEKNXVDYWKGPV-UHFFFAOYSA-N 0 1 319.409 1.426 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000121309096 408180761 /nfs/dbraw/zinc/18/07/61/408180761.db2.gz GOLKXVKYOZDCPA-CYBMUJFWSA-N 0 1 322.315 1.534 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCN1C[C@@H](C)O ZINC000190513218 408264975 /nfs/dbraw/zinc/26/49/75/408264975.db2.gz CVZYTAWJORAMCU-DGCLKSJQSA-N 0 1 306.410 1.204 10 0 DDAEMN C[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246561134 408292645 /nfs/dbraw/zinc/29/26/45/408292645.db2.gz UWFONQFMIVBCQB-HUUCEWRRSA-N 0 1 311.470 1.191 10 0 DDAEMN Cc1nc([C@@H]2CN(CCN(C)c3ccccc3)CCO2)n[nH]1 ZINC000132020008 162028522 /nfs/dbraw/zinc/02/85/22/162028522.db2.gz KFONSVOBHJXMEI-HNNXBMFYSA-N 0 1 301.394 1.623 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)c(OC)c1 ZINC000170240666 162185480 /nfs/dbraw/zinc/18/54/80/162185480.db2.gz UPYLXFPQGRKVIX-VIFPVBQESA-N 0 1 302.334 1.566 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2CCc3nn[nH]c3C2)c(OC)c1 ZINC000170240666 162185481 /nfs/dbraw/zinc/18/54/81/162185481.db2.gz UPYLXFPQGRKVIX-VIFPVBQESA-N 0 1 302.334 1.566 10 0 DDAEMN COc1cccc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000171828874 162242936 /nfs/dbraw/zinc/24/29/36/162242936.db2.gz MELYAAIIFBJTIJ-UHFFFAOYSA-N 0 1 315.421 1.532 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000246911261 408365387 /nfs/dbraw/zinc/36/53/87/408365387.db2.gz QETMUVZEFGRNEP-ZFWWWQNUSA-N 0 1 324.396 1.508 10 0 DDAEMN CC(C)c1nnc(CN2CC[C@H](CN3CCOCC3)C2)n1C ZINC000172941475 162311903 /nfs/dbraw/zinc/31/19/03/162311903.db2.gz IYBQAHLYHZOMPB-CQSZACIVSA-N 0 1 307.442 1.093 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173547089 162346810 /nfs/dbraw/zinc/34/68/10/162346810.db2.gz ZRFVIKWOTBCPMM-AWEZNQCLSA-N 0 1 300.362 1.564 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CSCCC(C)C)CCO2)n[nH]1 ZINC000173540214 162347108 /nfs/dbraw/zinc/34/71/08/162347108.db2.gz FMIAWJUDGVHQHE-LBPRGKRZSA-N 0 1 312.439 1.792 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)n[nH]1 ZINC000173533090 162347530 /nfs/dbraw/zinc/34/75/30/162347530.db2.gz CXKOLWICADRFIN-CYBMUJFWSA-N 0 1 320.780 1.909 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)n[nH]1 ZINC000173544401 162347556 /nfs/dbraw/zinc/34/75/56/162347556.db2.gz WRROWFMJZNQEOM-GFCCVEGCSA-N 0 1 308.288 1.605 10 0 DDAEMN CC(=O)Nc1cccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173674755 162356538 /nfs/dbraw/zinc/35/65/38/162356538.db2.gz AZTASXCOTPEXSR-HNNXBMFYSA-N 0 1 315.377 1.645 10 0 DDAEMN Cc1cnc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)o1 ZINC000173681718 162357730 /nfs/dbraw/zinc/35/77/30/162357730.db2.gz AYWDMKDQQBGNAQ-INIZCTEOSA-N 0 1 322.453 1.210 10 0 DDAEMN COc1cccc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247338808 408455308 /nfs/dbraw/zinc/45/53/08/408455308.db2.gz FZHUJCIPOTUOQM-OLZOCXBDSA-N 0 1 307.394 1.614 10 0 DDAEMN O[C@@H](CN1CCC[C@@H](n2cncn2)C1)c1c(F)cccc1F ZINC000247121000 408412520 /nfs/dbraw/zinc/41/25/20/408412520.db2.gz JRUUZSJBNDJPCZ-RISCZKNCSA-N 0 1 308.332 1.927 10 0 DDAEMN Cc1ccc2nc(CN3CCN(C[C@@H](C)O)[C@@H](C)C3)cn2c1 ZINC000247197175 408426847 /nfs/dbraw/zinc/42/68/47/408426847.db2.gz OROCMNCBXDIKKJ-LSDHHAIUSA-N 0 1 302.422 1.530 10 0 DDAEMN C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000177388713 408596262 /nfs/dbraw/zinc/59/62/62/408596262.db2.gz IXAWIJQJTGXUNK-DJIMGWMZSA-N 0 1 320.433 1.470 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000248620640 408600273 /nfs/dbraw/zinc/60/02/73/408600273.db2.gz MWLGGPPHJOSASD-XFIYOXNOSA-N 0 1 311.470 1.908 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)C[C@H]1CC ZINC000192584213 408613341 /nfs/dbraw/zinc/61/33/41/408613341.db2.gz DDUHBOJKXCGYGY-ARFHVFGLSA-N 0 1 312.454 1.618 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000184800872 408691048 /nfs/dbraw/zinc/69/10/48/408691048.db2.gz XAGFYOHIJGBHPC-CZUORRHYSA-N 0 1 323.412 1.812 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000194150010 408767878 /nfs/dbraw/zinc/76/78/78/408767878.db2.gz HRSGAMODMXUEIQ-HNNXBMFYSA-N 0 1 317.389 1.428 10 0 DDAEMN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249925576 408772803 /nfs/dbraw/zinc/77/28/03/408772803.db2.gz ZRMMDSIMUONLCN-STQMWFEESA-N 0 1 319.409 1.050 10 0 DDAEMN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN[C@H](C)C3)c2c1 ZINC000189007412 163081306 /nfs/dbraw/zinc/08/13/06/163081306.db2.gz ODKHAMMXBBFCJD-SNVBAGLBSA-N 0 1 303.337 1.822 10 0 DDAEMN CCS(=O)(=O)CCCCCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000190572447 163147194 /nfs/dbraw/zinc/14/71/94/163147194.db2.gz HBBDHZUJHUGEGE-CQSZACIVSA-N 0 1 313.467 1.814 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000192738778 163234743 /nfs/dbraw/zinc/23/47/43/163234743.db2.gz KEZUZJHDEQUAAJ-LLVKDONJSA-N 0 1 324.450 1.806 10 0 DDAEMN CCCC(=O)N1CCC[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000195049070 163304552 /nfs/dbraw/zinc/30/45/52/163304552.db2.gz MVSHCMRBKOIYIW-JKSUJKDBSA-N 0 1 321.465 1.722 10 0 DDAEMN CCCC(=O)N1CCC[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195049070 163304555 /nfs/dbraw/zinc/30/45/55/163304555.db2.gz MVSHCMRBKOIYIW-JKSUJKDBSA-N 0 1 321.465 1.722 10 0 DDAEMN COC(=O)c1sc(N2C[C@H]3OCCN(C)[C@H]3C2)nc1Cl ZINC000301678164 410769238 /nfs/dbraw/zinc/76/92/38/410769238.db2.gz UARLMVHNJMZRPZ-JGVFFNPUSA-N 0 1 317.798 1.102 10 0 DDAEMN COC[C@@H]1C[C@@H](OC)CN1CC(=O)NCCc1ccccc1C ZINC000344377053 411099009 /nfs/dbraw/zinc/09/90/09/411099009.db2.gz XHOUAYNRKXKDAR-DLBZAZTESA-N 0 1 320.433 1.389 10 0 DDAEMN C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCC[NH2+]C1 ZINC000129184081 196026840 /nfs/dbraw/zinc/02/68/40/196026840.db2.gz FAHIAPDMKJZPLW-CYBMUJFWSA-N 0 1 322.352 1.772 10 0 DDAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCO[C@H](c2ccco2)C1 ZINC000375091736 418603071 /nfs/dbraw/zinc/60/30/71/418603071.db2.gz UMXZNZAYKVYBJK-HZMBPMFUSA-N 0 1 302.334 1.103 10 0 DDAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCO[C@H](c2ccco2)C1 ZINC000375091736 418603074 /nfs/dbraw/zinc/60/30/74/418603074.db2.gz UMXZNZAYKVYBJK-HZMBPMFUSA-N 0 1 302.334 1.103 10 0 DDAEMN Cc1nc([C@H]2CN(c3ccc(C(F)(F)F)nn3)CCO2)n[nH]1 ZINC000301972468 230013681 /nfs/dbraw/zinc/01/36/81/230013681.db2.gz UBFJWYUJXULKGI-MRVPVSSYSA-N 0 1 314.271 1.500 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2coc(C3CCC3)n2)C1 ZINC000583619610 422204050 /nfs/dbraw/zinc/20/40/50/422204050.db2.gz HZBPLIQUIIDSST-PWSUYJOCSA-N 0 1 317.349 1.662 10 0 DDAEMN COCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630652893 422242180 /nfs/dbraw/zinc/24/21/80/422242180.db2.gz ZNXYBDITESLHEI-LSDHHAIUSA-N 0 1 320.389 1.257 10 0 DDAEMN COCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630652893 422242186 /nfs/dbraw/zinc/24/21/86/422242186.db2.gz ZNXYBDITESLHEI-LSDHHAIUSA-N 0 1 320.389 1.257 10 0 DDAEMN CN(CC1CC1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630658707 422247575 /nfs/dbraw/zinc/24/75/75/422247575.db2.gz UMEISXZXCTXXKC-HOTGVXAUSA-N 0 1 316.401 1.973 10 0 DDAEMN CN(CC1CC1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630658707 422247582 /nfs/dbraw/zinc/24/75/82/422247582.db2.gz UMEISXZXCTXXKC-HOTGVXAUSA-N 0 1 316.401 1.973 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000179508922 263359959 /nfs/dbraw/zinc/35/99/59/263359959.db2.gz LSCZYYWDOIMOPX-YMAMQOFZSA-N 0 1 310.438 1.764 10 0 DDAEMN CCc1nc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)n[nH]1 ZINC000181724278 263368971 /nfs/dbraw/zinc/36/89/71/263368971.db2.gz JBNCINPXMJYKBV-NSHDSACASA-N 0 1 309.414 1.856 10 0 DDAEMN O[C@@H]1C[C@H](NCc2cccc3c2OCCCO3)[C@H]1n1cccn1 ZINC000657514954 424392481 /nfs/dbraw/zinc/39/24/81/424392481.db2.gz PDYZOGRYKQSZSA-SQWLQELKSA-N 0 1 315.373 1.509 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCN(C[C@H](O)CC)CC1 ZINC000182195418 276285024 /nfs/dbraw/zinc/28/50/24/276285024.db2.gz JLNJRMBKQREELV-HUUCEWRRSA-N 0 1 300.443 1.353 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N[C@@H](C)CC)C[C@H]1CC ZINC000247109115 276323343 /nfs/dbraw/zinc/32/33/43/276323343.db2.gz IWXHASWNLNSWCD-ARFHVFGLSA-N 0 1 313.486 1.722 10 0 DDAEMN CC(C)(C)C1CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000050348619 277134985 /nfs/dbraw/zinc/13/49/85/277134985.db2.gz JUCRSEAQFHNVFH-GFCCVEGCSA-N 0 1 304.456 1.033 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)NC3CC3)C[C@@H]21 ZINC000185998506 277203316 /nfs/dbraw/zinc/20/33/16/277203316.db2.gz IDSAOGLRKCSBQL-FPMFFAJLSA-N 0 1 323.437 1.500 10 0 DDAEMN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN2CCCC[C@H]2C1 ZINC000247156435 282036467 /nfs/dbraw/zinc/03/64/67/282036467.db2.gz XNDAUINTJCTVPQ-CAOSSQGBSA-N 0 1 319.449 1.824 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000364902909 307053304 /nfs/dbraw/zinc/05/33/04/307053304.db2.gz CYSFDBJAXDGDID-KGLIPLIRSA-N 0 1 301.394 1.081 10 0 DDAEMN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(CN)o3)CCO2)n1 ZINC000168272322 484090177 /nfs/dbraw/zinc/09/01/77/484090177.db2.gz OJNDBVPQSRXURN-AWEZNQCLSA-N 0 1 318.377 1.093 10 0 DDAEMN CN1CCN(c2ccc(N)cc2NC(=O)c2ccco2)CC1 ZINC000226260893 490701472 /nfs/dbraw/zinc/70/14/72/490701472.db2.gz GKKWBMKIBGCFCO-UHFFFAOYSA-N 0 1 300.362 1.866 10 0 DDAEMN CCC(CC)(CNC(=O)OC(C)(C)C)NCc1cn(C)nn1 ZINC000230658934 490702702 /nfs/dbraw/zinc/70/27/02/490702702.db2.gz DZGSQHJLHRAEFO-UHFFFAOYSA-N 0 1 311.430 1.988 10 0 DDAEMN O=c1cc(CN2CC[C@@H](Oc3cccnc3)C2)[nH]c2ccnn21 ZINC000154677159 527479386 /nfs/dbraw/zinc/47/93/86/527479386.db2.gz CBFMLHRQPNIHEU-CQSZACIVSA-N 0 1 311.345 1.071 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000055312238 696283393 /nfs/dbraw/zinc/28/33/93/696283393.db2.gz ZPTXXRGKGYORLJ-SNVBAGLBSA-N 0 1 316.379 1.049 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000055312238 696283395 /nfs/dbraw/zinc/28/33/95/696283395.db2.gz ZPTXXRGKGYORLJ-SNVBAGLBSA-N 0 1 316.379 1.049 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000109954264 696638901 /nfs/dbraw/zinc/63/89/01/696638901.db2.gz XTWVQUQGJXVXKC-ZIAGYGMSSA-N 0 1 313.357 1.707 10 0 DDAEMN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000175597079 697397616 /nfs/dbraw/zinc/39/76/16/697397616.db2.gz SYUKXQUKFVLTLO-LBPRGKRZSA-N 0 1 308.382 1.468 10 0 DDAEMN C[C@H](N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nnnn1C ZINC000189846638 697581423 /nfs/dbraw/zinc/58/14/23/697581423.db2.gz VHBMMWIAOOUVRL-QJPTWQEYSA-N 0 1 324.429 1.554 10 0 DDAEMN Cn1ncc(Br)c1C(=O)N[C@@H]1CN2CCC1CC2 ZINC000222554221 697757608 /nfs/dbraw/zinc/75/76/08/697757608.db2.gz SCPONPYEFGZFSU-SNVBAGLBSA-N 0 1 313.199 1.007 10 0 DDAEMN C[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000247397663 698365659 /nfs/dbraw/zinc/36/56/59/698365659.db2.gz YAQWJHNJDCAKME-WQGACYEGSA-N 0 1 314.376 1.385 10 0 DDAEMN C[N@H+]1CC[C@@H](C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC000250571039 698399713 /nfs/dbraw/zinc/39/97/13/698399713.db2.gz DVHLQSPPSRYHHD-UONOGXRCSA-N 0 1 306.362 1.708 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3cccs3)CCO2)n[nH]1 ZINC000255662941 698422527 /nfs/dbraw/zinc/42/25/27/698422527.db2.gz WBABISMWEMSVNV-RXNFCKPNSA-N 0 1 304.375 1.788 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000262345641 698465410 /nfs/dbraw/zinc/46/54/10/698465410.db2.gz FXRPEUAMOZMBEX-CABCVRRESA-N 0 1 318.373 1.316 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000263018970 698488164 /nfs/dbraw/zinc/48/81/64/698488164.db2.gz ZTRPYFRVOWLURD-HOCLYGCPSA-N 0 1 316.401 1.724 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCS[C@H](C)C2)C1 ZINC000263488474 698509938 /nfs/dbraw/zinc/50/99/38/698509938.db2.gz QFOQENPALQDFSR-VOMCLLRMSA-N 0 1 315.439 1.071 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2nccs2)C1 ZINC000702842397 699234023 /nfs/dbraw/zinc/23/40/23/699234023.db2.gz WUBKVONCODEDJD-QWRGUYRKSA-N 0 1 313.423 1.461 10 0 DDAEMN CO[C@@H]1CN(Cc2cnn(C(C)C)c2)C[C@H]1c1cn(C)nn1 ZINC000886093739 708696955 /nfs/dbraw/zinc/69/69/55/708696955.db2.gz FWHVDGAHHCOMAV-DZGCQCFKSA-N 0 1 304.398 1.207 10 0 DDAEMN O=C(C1CCC(N2CCOCC2)CC1)N1CC(n2cccn2)C1 ZINC000900539855 709642729 /nfs/dbraw/zinc/64/27/29/709642729.db2.gz WQECXASIJMRSQJ-UHFFFAOYSA-N 0 1 318.421 1.157 10 0 DDAEMN COC(=O)c1cc(CN2CCCC[C@H]2c2nnc[nH]2)cn1C ZINC000895197420 711450720 /nfs/dbraw/zinc/45/07/20/711450720.db2.gz IQMLWEOUHQYKHG-LBPRGKRZSA-N 0 1 303.366 1.657 10 0 DDAEMN C/C=C/[C@H](O)C(=O)N1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000907556813 712594565 /nfs/dbraw/zinc/59/45/65/712594565.db2.gz WEMAUWVTWATNTI-NHYVCVPDSA-N 0 1 303.406 1.781 10 0 DDAEMN COc1cc(Cl)c(C)cc1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000074731595 185013720 /nfs/dbraw/zinc/01/37/20/185013720.db2.gz WMFXXEKOUMBCDF-UHFFFAOYSA-N 0 1 323.736 1.215 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCCO2 ZINC000081924645 192339659 /nfs/dbraw/zinc/33/96/59/192339659.db2.gz OIRVPXSCKLKLQW-ZDUSSCGKSA-N 0 1 313.419 1.933 10 0 DDAEMN CCCc1ccc([C@@H](CS(=O)(=O)CC(=O)OC)NC)cc1 ZINC000081975821 192347439 /nfs/dbraw/zinc/34/74/39/192347439.db2.gz WRJXEPXHGJJWCE-CQSZACIVSA-N 0 1 313.419 1.487 10 0 DDAEMN CCNCc1nnnn1Cc1sccc1Br ZINC000087576343 185229001 /nfs/dbraw/zinc/22/90/01/185229001.db2.gz ZZFXWPVGLRRVAN-UHFFFAOYSA-N 0 1 302.201 1.655 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1C ZINC000081974550 192347533 /nfs/dbraw/zinc/34/75/33/192347533.db2.gz QDCQIQZMEVPDIK-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N(C)CC(C)(C)C)c1S(N)(=O)=O ZINC000087899233 185236164 /nfs/dbraw/zinc/23/61/64/185236164.db2.gz MQYNWGQYDNOGEJ-UHFFFAOYSA-N 0 1 316.427 1.299 10 0 DDAEMN CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(CNC)o1 ZINC000088544356 185256776 /nfs/dbraw/zinc/25/67/76/185256776.db2.gz MVOZTINTPKOBPA-GHMZBOCLSA-N 0 1 302.396 1.187 10 0 DDAEMN CN1C(=O)C[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1=O ZINC000088775679 185265235 /nfs/dbraw/zinc/26/52/35/185265235.db2.gz QYETVZUESDBDTJ-NWDGAFQWSA-N 0 1 323.190 1.783 10 0 DDAEMN CCC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1)[NH+](C)C ZINC000252799229 282211657 /nfs/dbraw/zinc/21/16/57/282211657.db2.gz AGYLHINKBKLTBI-CVEARBPZSA-N 0 1 313.486 1.676 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(N)c(F)cc1F ZINC000092621948 185330076 /nfs/dbraw/zinc/33/00/76/185330076.db2.gz QVJUGWUIXMMPIX-VIFPVBQESA-N 0 1 319.377 1.262 10 0 DDAEMN O=C([O-])c1cn(C2C[NH+]([C@H]3CCCc4sccc43)C2)nn1 ZINC000092699054 185333855 /nfs/dbraw/zinc/33/38/55/185333855.db2.gz QUAXQTVDLFQDLN-LBPRGKRZSA-N 0 1 304.375 1.972 10 0 DDAEMN O=C(Nc1ncccc1Br)[C@H]1Cc2nc[nH]c2CN1 ZINC000092783666 185340672 /nfs/dbraw/zinc/34/06/72/185340672.db2.gz HUEGFXKGMDZJPU-SECBINFHSA-N 0 1 322.166 1.220 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)N(C)Cc2nnc[nH]2)cc1Cl ZINC000080511268 192163860 /nfs/dbraw/zinc/16/38/60/192163860.db2.gz BGYIHFQLXZEDHN-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(N)c(C)cc1F ZINC000070485443 190901455 /nfs/dbraw/zinc/90/14/55/190901455.db2.gz ILYMWMSEDXFDFC-UHFFFAOYSA-N 0 1 317.430 1.679 10 0 DDAEMN Cn1c(CN)nnc1SCc1cnn(-c2ccccc2)c1 ZINC000071373752 190963598 /nfs/dbraw/zinc/96/35/98/190963598.db2.gz HPAYKTQMVVXURK-UHFFFAOYSA-N 0 1 300.391 1.752 10 0 DDAEMN Cn1ncc2ccc(NC(=O)Cc3csc(CN)n3)cc21 ZINC000071695973 191008197 /nfs/dbraw/zinc/00/81/97/191008197.db2.gz LSUZONJDZRHJTG-UHFFFAOYSA-N 0 1 301.375 1.670 10 0 DDAEMN CCCNC(=O)c1ccc(N2CCN(C[C@H](O)CC)CC2)nc1 ZINC000172761409 198145943 /nfs/dbraw/zinc/14/59/43/198145943.db2.gz KRETYDUCKOUHTN-OAHLLOKOSA-N 0 1 320.437 1.114 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc(C)c1F ZINC000173135091 198187109 /nfs/dbraw/zinc/18/71/09/198187109.db2.gz PRFFDIJQGDMSEM-CYBMUJFWSA-N 0 1 312.410 1.911 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)n[nH]1 ZINC000173686924 198240740 /nfs/dbraw/zinc/24/07/40/198240740.db2.gz JLGFXZJLGIAMCI-OAHLLOKOSA-N 0 1 314.389 1.876 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000173884693 198264168 /nfs/dbraw/zinc/26/41/68/198264168.db2.gz LZSHVQCFAQBNBP-MFKMUULPSA-N 0 1 318.389 1.972 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CCN1C[C@@H](C)O ZINC000174620130 198360603 /nfs/dbraw/zinc/36/06/03/198360603.db2.gz YVRKTHGPTUIIDP-ABAIWWIYSA-N 0 1 312.360 1.882 10 0 DDAEMN CCOC(=O)C[C@H](NC(=O)c1cnn[nH]1)c1ccccc1C ZINC000174675625 198368313 /nfs/dbraw/zinc/36/83/13/198368313.db2.gz TZBCBXZQVYQDBP-LBPRGKRZSA-N 0 1 302.334 1.537 10 0 DDAEMN CO[C@H](C)Cc1nc(C)c(I)c(=O)[nH]1 ZINC000127850339 354069173 /nfs/dbraw/zinc/06/91/73/354069173.db2.gz NMMHLQMJXJERGD-RXMQYKEDSA-N 0 1 308.119 1.260 10 0 DDAEMN O=C([C@@H]1NCCc2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000156395423 354219372 /nfs/dbraw/zinc/21/93/72/354219372.db2.gz IWSGEIRQRDQOOT-GDBMZVCRSA-N 0 1 311.389 1.329 10 0 DDAEMN CCN(C(=O)Cc1ccc2nc[nH]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000074973633 191399854 /nfs/dbraw/zinc/39/98/54/191399854.db2.gz SZKQKGMBVOJKIC-LBPRGKRZSA-N 0 1 321.402 1.141 10 0 DDAEMN O=C1C[C@@H](NC2CC2)C(=O)N1c1ccc(Br)cc1 ZINC000005768683 181282291 /nfs/dbraw/zinc/28/22/91/181282291.db2.gz JOPJXYLRAIMVOD-LLVKDONJSA-N 0 1 309.163 1.833 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586005 192296811 /nfs/dbraw/zinc/29/68/11/192296811.db2.gz BOPZPGRVYJZKDN-UHFFFAOYSA-N 0 1 304.272 1.092 10 0 DDAEMN CCN(C)CCNS(=O)(=O)c1cnc(NC)c(Cl)c1 ZINC000081695043 192313971 /nfs/dbraw/zinc/31/39/71/192313971.db2.gz VWJPAQSOYRKJBA-UHFFFAOYSA-N 0 1 306.819 1.007 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(CO)ccc1F ZINC000088898832 192647231 /nfs/dbraw/zinc/64/72/31/192647231.db2.gz BZZHUZWQFVWENF-LBPRGKRZSA-N 0 1 316.398 1.033 10 0 DDAEMN COC(=O)CCNC(=O)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180725181 199201605 /nfs/dbraw/zinc/20/16/05/199201605.db2.gz GXRHCTHQTPJLQB-VIFPVBQESA-N 0 1 316.760 1.809 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)Nc3nccs3)CC2)CCO1 ZINC000194116348 201181455 /nfs/dbraw/zinc/18/14/55/201181455.db2.gz KYOWHCZFYQJXFG-NSHDSACASA-N 0 1 310.423 1.860 10 0 DDAEMN C[C@@H](CO)CSC[C@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000091258748 193028152 /nfs/dbraw/zinc/02/81/52/193028152.db2.gz ONQXHRHOQNTTGL-BLLLJJGKSA-N 0 1 308.447 1.481 10 0 DDAEMN CN(C)c1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cn1 ZINC000091595557 193078094 /nfs/dbraw/zinc/07/80/94/193078094.db2.gz MWCUPAVMRUBERI-HNNXBMFYSA-N 0 1 305.422 1.654 10 0 DDAEMN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000174344195 284017194 /nfs/dbraw/zinc/01/71/94/284017194.db2.gz KSAUDMXDKCWVFI-RBSFLKMASA-N 0 1 308.422 1.663 10 0 DDAEMN CCC[C@H](C(=O)Nc1cncc(-c2nncn2C)c1)N(C)C ZINC000093244905 193221220 /nfs/dbraw/zinc/22/12/20/193221220.db2.gz ILJHVSOYWGIEJY-CYBMUJFWSA-N 0 1 302.382 1.546 10 0 DDAEMN O=C1CC[C@H](NCc2cc(F)cc(Br)c2)C(=O)N1 ZINC000093982551 193334303 /nfs/dbraw/zinc/33/43/03/193334303.db2.gz GOTAVERHUBNSCU-JTQLQIEISA-N 0 1 315.142 1.483 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NCCN(C)C2CC2)cc1N ZINC000094639007 193387842 /nfs/dbraw/zinc/38/78/42/193387842.db2.gz FINDLARTCXQJMJ-UHFFFAOYSA-N 0 1 317.842 1.603 10 0 DDAEMN CC[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638316 193387943 /nfs/dbraw/zinc/38/79/43/193387943.db2.gz YQHCZRSXQZWFGW-DYEKYZERSA-N 0 1 303.424 1.529 10 0 DDAEMN CC(C)CNCc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644069 193390101 /nfs/dbraw/zinc/39/01/01/193390101.db2.gz XVBGCZIXMICRNH-OLZOCXBDSA-N 0 1 314.455 1.552 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2ncnc3c2CCCC3)CC1 ZINC000094871733 193404445 /nfs/dbraw/zinc/40/44/45/193404445.db2.gz CQZVUWABWIGZSQ-NSHDSACASA-N 0 1 305.451 1.152 10 0 DDAEMN COC(=O)[C@@]1(C)CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000177888067 284233578 /nfs/dbraw/zinc/23/35/78/284233578.db2.gz LPXCBIHNEDBYOK-QAPCUYQASA-N 0 1 318.417 1.571 10 0 DDAEMN Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCC(C)C ZINC000016249206 182038805 /nfs/dbraw/zinc/03/88/05/182038805.db2.gz MKANPNHVOZXIBX-UHFFFAOYSA-N 0 1 315.420 1.389 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2c(N)ccc(C)c2C)C1 ZINC000040501895 183083718 /nfs/dbraw/zinc/08/37/18/183083718.db2.gz DZXKXACLDQQRJE-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN CCN1CCC[C@@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000040502798 183084310 /nfs/dbraw/zinc/08/43/10/183084310.db2.gz FBUONDPUDGMFDX-UKRRQHHQSA-N 0 1 308.447 1.979 10 0 DDAEMN CC(C)(C)NS(=O)(=O)c1cc(Br)c[nH]c1=NN ZINC000041069907 183162289 /nfs/dbraw/zinc/16/22/89/183162289.db2.gz JHFQGAGXMULVMH-UHFFFAOYSA-N 0 1 323.216 1.207 10 0 DDAEMN CCCOc1cccc(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)c1 ZINC000284827402 218194444 /nfs/dbraw/zinc/19/44/44/218194444.db2.gz OPIODNSHZXQYAB-MRXNPFEDSA-N 0 1 316.361 1.327 10 0 DDAEMN CCOCCN1CCN(CC(=O)NC2CCCC2)C[C@@H]1CC ZINC000105837741 194144587 /nfs/dbraw/zinc/14/45/87/194144587.db2.gz HHHOWRNOKYOUNP-INIZCTEOSA-N 0 1 311.470 1.478 10 0 DDAEMN CCOCCN1CCN(Cc2nnnn2C(C)C)C[C@H]1CC ZINC000105838592 194144659 /nfs/dbraw/zinc/14/46/59/194144659.db2.gz KXSKTHUAZHUJKI-CQSZACIVSA-N 0 1 310.446 1.187 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c(F)c1 ZINC000105932990 194173603 /nfs/dbraw/zinc/17/36/03/194173603.db2.gz RXDOKHIHWQJAAN-OLZOCXBDSA-N 0 1 309.385 1.381 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000105932676 194173627 /nfs/dbraw/zinc/17/36/27/194173627.db2.gz OYEUFIYSTURNMB-BXUZGUMPSA-N 0 1 311.813 1.587 10 0 DDAEMN O=C1C[C@H](NCCc2nccs2)C(=O)N1C1CCCCC1 ZINC000109176223 194257384 /nfs/dbraw/zinc/25/73/84/194257384.db2.gz BPUABYMLECBEKO-LBPRGKRZSA-N 0 1 307.419 1.735 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000109460790 194265394 /nfs/dbraw/zinc/26/53/94/194265394.db2.gz SCLFJBYNLPEXIY-LBPRGKRZSA-N 0 1 307.419 1.215 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(c2ncnc3ccsc32)CC1 ZINC000109471169 194267528 /nfs/dbraw/zinc/26/75/28/194267528.db2.gz WKDTZXVXSSBTGB-SECBINFHSA-N 0 1 307.448 1.488 10 0 DDAEMN CN(Cc1ccsc1)C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145695 184163230 /nfs/dbraw/zinc/16/32/30/184163230.db2.gz UMHIVHHZSZXTOZ-UHFFFAOYSA-N 0 1 311.407 1.392 10 0 DDAEMN CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H](C)C(=O)[O-] ZINC000061221177 184166364 /nfs/dbraw/zinc/16/63/64/184166364.db2.gz XUPJCOSXZDJAPH-LLVKDONJSA-N 0 1 312.797 1.999 10 0 DDAEMN Cc1csc2nc(C[N@H+](CC(=O)[O-])CC(C)C)cc(=O)n12 ZINC000062742872 184252228 /nfs/dbraw/zinc/25/22/28/184252228.db2.gz QWKSZPHVYDKTIT-UHFFFAOYSA-N 0 1 309.391 1.607 10 0 DDAEMN CC(C)OCCCNC(=O)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062875827 184258057 /nfs/dbraw/zinc/25/80/57/184258057.db2.gz YJQAWIHMRIDSRU-OAHLLOKOSA-N 0 1 300.399 1.104 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1 ZINC000062965384 184263286 /nfs/dbraw/zinc/26/32/86/184263286.db2.gz RZUHWGBOTYXPFR-VIFPVBQESA-N 0 1 321.805 1.386 10 0 DDAEMN COCCN1CCN(Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000120842009 195248461 /nfs/dbraw/zinc/24/84/61/195248461.db2.gz YMWUVDSNBFNBCZ-CQSZACIVSA-N 0 1 315.421 1.624 10 0 DDAEMN CC(C)C(=O)NC[C@@H]1CO[C@H]2CN(Cc3ccccn3)C[C@@H]12 ZINC000248167615 257107524 /nfs/dbraw/zinc/10/75/24/257107524.db2.gz PEHADDNNCRERMK-KBMXLJTQSA-N 0 1 303.406 1.301 10 0 DDAEMN COCC(=O)NC[C@@H]1CO[C@H]2CN(Cc3ccccc3F)C[C@@H]12 ZINC000247824344 257117269 /nfs/dbraw/zinc/11/72/69/257117269.db2.gz IVVDKSCZFYBFEF-YCPHGPKFSA-N 0 1 322.380 1.035 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccco2)C1)N1CCCC1 ZINC000247766648 257118024 /nfs/dbraw/zinc/11/80/24/257118024.db2.gz LBSGFWNRDPMAPU-KBMXLJTQSA-N 0 1 304.390 1.881 10 0 DDAEMN Cc1ccc(N2CCCN([C@H](C)C(=O)N(C)C(C)C)CC2)nn1 ZINC000245460260 292130101 /nfs/dbraw/zinc/13/01/01/292130101.db2.gz FDHJZAFWGOCQKZ-OAHLLOKOSA-N 0 1 319.453 1.552 10 0 DDAEMN CNC(=O)[C@H]1CCCCN1C[C@H](O)COCc1ccccc1 ZINC000170929428 407559380 /nfs/dbraw/zinc/55/93/80/407559380.db2.gz RDGFWJIBVOWSIP-JKSUJKDBSA-N 0 1 306.406 1.165 10 0 DDAEMN O=S(=O)([N-]C[C@@H]1CCCC[NH2+]1)c1nc2ccccc2s1 ZINC000095073325 407205795 /nfs/dbraw/zinc/20/57/95/407205795.db2.gz WSKXWWPAAWJKRF-JTQLQIEISA-N 0 1 311.432 1.717 10 0 DDAEMN CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000096112991 407239012 /nfs/dbraw/zinc/23/90/12/407239012.db2.gz OACJAGSZEUIMPC-LSDHHAIUSA-N 0 1 307.438 1.424 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)CC[N@H+]1CCOC ZINC000105835812 407355258 /nfs/dbraw/zinc/35/52/58/407355258.db2.gz IPOHTWKGCFIJET-GOEBONIOSA-N 0 1 311.470 1.476 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NC2CCCC2)CCN1CCOC ZINC000105835812 407355260 /nfs/dbraw/zinc/35/52/60/407355260.db2.gz IPOHTWKGCFIJET-GOEBONIOSA-N 0 1 311.470 1.476 10 0 DDAEMN CC(C)CC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105817925 407355929 /nfs/dbraw/zinc/35/59/29/407355929.db2.gz OVKDSDOJNBKKBS-INIZCTEOSA-N 0 1 311.470 1.286 10 0 DDAEMN CC(C)CC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105817925 407355931 /nfs/dbraw/zinc/35/59/31/407355931.db2.gz OVKDSDOJNBKKBS-INIZCTEOSA-N 0 1 311.470 1.286 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n[nH]1 ZINC000124629838 407364411 /nfs/dbraw/zinc/36/44/11/407364411.db2.gz XQBKRHWXIDORFO-WCQYABFASA-N 0 1 316.409 1.582 10 0 DDAEMN CCCCOCCNC(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105887207 407357515 /nfs/dbraw/zinc/35/75/15/407357515.db2.gz OOQNWMHDLVSNGK-UHFFFAOYSA-N 0 1 322.453 1.528 10 0 DDAEMN CCn1cc(CNCc2n[nH]c(COc3ccccc3)n2)cn1 ZINC000185758068 407493892 /nfs/dbraw/zinc/49/38/92/407493892.db2.gz VFAGCRCAJVWVTP-UHFFFAOYSA-N 0 1 312.377 1.890 10 0 DDAEMN CCC[C@H](C(=O)OCC)N1CCN(CCOC)[C@H](CC)C1 ZINC000114802856 407616857 /nfs/dbraw/zinc/61/68/57/407616857.db2.gz JDHXRTCIFAOPRX-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261934838 407679805 /nfs/dbraw/zinc/67/98/05/407679805.db2.gz WQNPYGRLLXUEMW-GDBMZVCRSA-N 0 1 317.433 1.274 10 0 DDAEMN COC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000262030253 407717752 /nfs/dbraw/zinc/71/77/52/407717752.db2.gz AKGUFROALJHESI-ZDUSSCGKSA-N 0 1 312.797 1.436 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000262254242 407775707 /nfs/dbraw/zinc/77/57/07/407775707.db2.gz IWJAEHAWUJKYRZ-CQSZACIVSA-N 0 1 302.378 1.079 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC2CCSCC2)CCN1CCOC ZINC000172333411 407821398 /nfs/dbraw/zinc/82/13/98/407821398.db2.gz BFZJZRSNNMTRNA-CQSZACIVSA-N 0 1 315.483 1.634 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c[nH]c3ncccc23)C1 ZINC000262686882 407902095 /nfs/dbraw/zinc/90/20/95/407902095.db2.gz ATWTVWXBSAWXQD-UHFFFAOYSA-N 0 1 316.361 1.230 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000118856726 407954872 /nfs/dbraw/zinc/95/48/72/407954872.db2.gz OSIRTTKMAOUSHR-JKSUJKDBSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1ccc(-c2cc(C(=O)N3CC(NC(=O)C4CC4)C3)n[nH]2)cc1 ZINC000189469379 408028761 /nfs/dbraw/zinc/02/87/61/408028761.db2.gz HHZSOUDUEUOFNT-UHFFFAOYSA-N 0 1 324.384 1.736 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000245698730 408045420 /nfs/dbraw/zinc/04/54/20/408045420.db2.gz CSQVJMSQKHSJSN-CABCVRRESA-N 0 1 314.433 1.964 10 0 DDAEMN CN(C)[C@@H](CNC(=O)[C@H]1CC(F)(F)CN1)c1ccsc1 ZINC000263052680 408011481 /nfs/dbraw/zinc/01/14/81/408011481.db2.gz USGZGZDSMIMJDN-MNOVXSKESA-N 0 1 303.378 1.464 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000245764055 408063814 /nfs/dbraw/zinc/06/38/14/408063814.db2.gz QHSLKVCSFKBYTD-SUMWQHHRSA-N 0 1 305.422 1.844 10 0 DDAEMN COC(=O)N[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)C(C)C ZINC000119376661 408054988 /nfs/dbraw/zinc/05/49/88/408054988.db2.gz FZDLTDIYNZKJMY-LLVKDONJSA-N 0 1 320.353 1.129 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)n[nH]1 ZINC000175423219 408126657 /nfs/dbraw/zinc/12/66/57/408126657.db2.gz ADWIFCAQXRZLFQ-CYBMUJFWSA-N 0 1 316.365 1.100 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3cnn(C)c3)C2=O)n(C)n1 ZINC000182352160 408135022 /nfs/dbraw/zinc/13/50/22/408135022.db2.gz ODARCMLTHGTDPB-OCCSQVGLSA-N 0 1 316.409 1.308 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(CC(C)C)C(C)C)C1 ZINC000263438958 408140830 /nfs/dbraw/zinc/14/08/30/408140830.db2.gz DAFDETITVQCCRJ-UHFFFAOYSA-N 0 1 313.442 2.000 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246391693 408242203 /nfs/dbraw/zinc/24/22/03/408242203.db2.gz IXWAXOCJAJSTKG-UGUYLWEFSA-N 0 1 311.470 1.332 10 0 DDAEMN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190532888 408271679 /nfs/dbraw/zinc/27/16/79/408271679.db2.gz YYTDYQBTJMRLBC-LBPRGKRZSA-N 0 1 321.446 1.711 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190606858 408288385 /nfs/dbraw/zinc/28/83/85/408288385.db2.gz KYBPIXYQDNIYCP-AWEZNQCLSA-N 0 1 301.390 1.341 10 0 DDAEMN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190606858 408288393 /nfs/dbraw/zinc/28/83/93/408288393.db2.gz KYBPIXYQDNIYCP-AWEZNQCLSA-N 0 1 301.390 1.341 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000246757242 408333239 /nfs/dbraw/zinc/33/32/39/408333239.db2.gz HOBOSRRERMDGLO-XJKSGUPXSA-N 0 1 308.397 1.672 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc4ccccn4c3)CCO2)n[nH]1 ZINC000173405845 162337997 /nfs/dbraw/zinc/33/79/97/162337997.db2.gz IZHOFTFMJWOMNY-AWEZNQCLSA-N 0 1 311.345 1.580 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCO2)n[nH]1 ZINC000173517668 162345251 /nfs/dbraw/zinc/34/52/51/162345251.db2.gz YEGFDPKUYLCDMI-CQSZACIVSA-N 0 1 311.345 1.808 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cnn(-c4ccccc4)c3)CCO2)n[nH]1 ZINC000173664859 162356371 /nfs/dbraw/zinc/35/63/71/162356371.db2.gz ALRRJVWUBRBYJI-INIZCTEOSA-N 0 1 324.388 1.872 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000174097039 162391402 /nfs/dbraw/zinc/39/14/02/162391402.db2.gz HUNFBSACGALJCD-GJZGRUSLSA-N 0 1 302.378 1.528 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000247212959 408431084 /nfs/dbraw/zinc/43/10/84/408431084.db2.gz PYSLXTLFYRPHMD-HUUCEWRRSA-N 0 1 307.442 1.949 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000247212959 408431089 /nfs/dbraw/zinc/43/10/89/408431089.db2.gz PYSLXTLFYRPHMD-HUUCEWRRSA-N 0 1 307.442 1.949 10 0 DDAEMN CC[C@@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1C[C@H](C)O ZINC000247441319 408470179 /nfs/dbraw/zinc/47/01/79/408470179.db2.gz ZXTLFBGEYOSJEA-QWHCGFSZSA-N 0 1 310.394 1.343 10 0 DDAEMN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C1CC1 ZINC000248237789 408544797 /nfs/dbraw/zinc/54/47/97/408544797.db2.gz FNOZUZBPWMYPAS-QMMMGPOBSA-N 0 1 303.387 1.751 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@H](C)OC)C[C@H]1CC ZINC000248414202 408560042 /nfs/dbraw/zinc/56/00/42/408560042.db2.gz GTHSYKTVQNMNEY-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C12CCOCC2 ZINC000248581048 408592084 /nfs/dbraw/zinc/59/20/84/408592084.db2.gz SEZREAZJWWXWDT-BZUAXINKSA-N 0 1 324.465 1.951 10 0 DDAEMN CCC[C@H](C(=O)NCCc1nnc(-c2ccccc2)[nH]1)[NH+](C)C ZINC000163746815 408788838 /nfs/dbraw/zinc/78/88/38/408788838.db2.gz RIVGGDFIWSEPQM-CQSZACIVSA-N 0 1 315.421 1.861 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3cnn(CC)c3)CCO2)n[nH]1 ZINC000178013197 408756067 /nfs/dbraw/zinc/75/60/67/408756067.db2.gz PUOPVKYOPXABPI-LLVKDONJSA-N 0 1 319.369 1.189 10 0 DDAEMN CCCCNC(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163155573 408764589 /nfs/dbraw/zinc/76/45/89/408764589.db2.gz JNHDOVMQXINPEX-GFCCVEGCSA-N 0 1 312.435 1.657 10 0 DDAEMN CCc1onc(C)c1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000187399518 163017383 /nfs/dbraw/zinc/01/73/83/163017383.db2.gz YWZVKEIFCWZSSO-LLVKDONJSA-N 0 1 305.338 1.186 10 0 DDAEMN CCN(C)c1ccc(CN2CCN(CCOC)[C@H](C)C2)cn1 ZINC000191336941 163181501 /nfs/dbraw/zinc/18/15/01/163181501.db2.gz JEAYLVMFCLHYMD-OAHLLOKOSA-N 0 1 306.454 1.690 10 0 DDAEMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195051882 163304656 /nfs/dbraw/zinc/30/46/56/163304656.db2.gz LLEJLTFZRBGJHQ-OLZOCXBDSA-N 0 1 311.426 1.596 10 0 DDAEMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195051882 163304659 /nfs/dbraw/zinc/30/46/59/163304659.db2.gz LLEJLTFZRBGJHQ-OLZOCXBDSA-N 0 1 311.426 1.596 10 0 DDAEMN O=S(=O)(c1cnc(Cl)c(F)c1)N1CCN2CCC[C@H]2C1 ZINC000279382404 409203716 /nfs/dbraw/zinc/20/37/16/409203716.db2.gz XZABHEZKAVNEGS-VIFPVBQESA-N 0 1 319.789 1.343 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000262317396 163805388 /nfs/dbraw/zinc/80/53/88/163805388.db2.gz QKUASQXHHAQNTF-PJODQICGSA-N 0 1 301.390 1.315 10 0 DDAEMN CCCC[C@@H](CC)C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262833247 163884117 /nfs/dbraw/zinc/88/41/17/163884117.db2.gz IAWAUHXPCMTFSV-ZIAGYGMSSA-N 0 1 314.426 1.447 10 0 DDAEMN O=c1[nH]cnc(N[C@H]2CCC[C@H]2O)c1I ZINC000306502533 409773851 /nfs/dbraw/zinc/77/38/51/409773851.db2.gz UGFTVPJFXRDWDI-NTSWFWBYSA-N 0 1 321.118 1.112 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000194646644 418546442 /nfs/dbraw/zinc/54/64/42/418546442.db2.gz QHSVDOTUXJJLIX-VFNWGFHPSA-N 0 1 308.447 1.779 10 0 DDAEMN Cc1nccc(N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)c1Cl ZINC000630375769 422059850 /nfs/dbraw/zinc/05/98/50/422059850.db2.gz YYQJCXQKWNCZRH-SECBINFHSA-N 0 1 305.769 1.945 10 0 DDAEMN O=C(c1ccoc1C1CC1)N1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617813 422202932 /nfs/dbraw/zinc/20/29/32/422202932.db2.gz UJNVXFBSEYYZPI-OAHLLOKOSA-N 0 1 302.334 1.399 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCCC2)[N@@H+]1Cc1ccccc1 ZINC000630649060 422239520 /nfs/dbraw/zinc/23/95/20/422239520.db2.gz HUUSSMFHNYTMIP-GJZGRUSLSA-N 0 1 302.374 1.727 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCCC2)[N@H+]1Cc1ccccc1 ZINC000630649060 422239526 /nfs/dbraw/zinc/23/95/26/422239526.db2.gz HUUSSMFHNYTMIP-GJZGRUSLSA-N 0 1 302.374 1.727 10 0 DDAEMN CO[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC000634694946 422554998 /nfs/dbraw/zinc/55/49/98/422554998.db2.gz NCYMZAIKBSLIGX-YQQAZPJKSA-N 0 1 323.389 1.128 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000344697857 272092857 /nfs/dbraw/zinc/09/28/57/272092857.db2.gz CHPYFWUHTQAVTA-KBPBESRZSA-N 0 1 322.796 1.502 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000167800445 274044014 /nfs/dbraw/zinc/04/40/14/274044014.db2.gz QERSLAMJWKQKTG-MNOVXSKESA-N 0 1 300.811 1.967 10 0 DDAEMN COc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@H]1COCCN1 ZINC000262037321 277946744 /nfs/dbraw/zinc/94/67/44/277946744.db2.gz FTYLIEZWGACCFL-BBRMVZONSA-N 0 1 304.390 1.567 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000154703617 289367304 /nfs/dbraw/zinc/36/73/04/289367304.db2.gz CGIWKFLUGAXQIR-SJLPKXTDSA-N 0 1 302.418 1.798 10 0 DDAEMN CCc1noc([C@H](C)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)n1 ZINC000375438204 307226649 /nfs/dbraw/zinc/22/66/49/307226649.db2.gz NPDLARJXPCTASI-VLXAULBPSA-N 0 1 309.410 1.945 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000120478838 696696407 /nfs/dbraw/zinc/69/64/07/696696407.db2.gz WFJHQFCLGSCREM-OAHLLOKOSA-N 0 1 320.437 1.108 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(C)c2)C1 ZINC000128306984 696777830 /nfs/dbraw/zinc/77/78/30/696777830.db2.gz HTILICFETHUQEQ-NSHDSACASA-N 0 1 324.812 1.582 10 0 DDAEMN CCCn1cc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)cn1 ZINC000246074199 698342544 /nfs/dbraw/zinc/34/25/44/698342544.db2.gz JCRXYGHXRCWQLA-ZFWWWQNUSA-N 0 1 323.441 1.602 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000262567213 698475315 /nfs/dbraw/zinc/47/53/15/698475315.db2.gz RXEGWPTZIZQVQA-HNNXBMFYSA-N 0 1 319.405 1.471 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccccc2C(C)=O)C1 ZINC000262716144 698478312 /nfs/dbraw/zinc/47/83/12/698478312.db2.gz NLMKXXUSSYZOPT-UHFFFAOYSA-N 0 1 318.373 1.557 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000262835061 698481673 /nfs/dbraw/zinc/48/16/73/698481673.db2.gz SHOQXFALRZTGDC-UHFFFAOYSA-N 0 1 322.409 1.305 10 0 DDAEMN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3cncn3c2)C1 ZINC000263444806 698507018 /nfs/dbraw/zinc/50/70/18/698507018.db2.gz QPDWFZRGWZDPPW-UHFFFAOYSA-N 0 1 316.361 1.002 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3cncn3c2)C1 ZINC000263444806 698507021 /nfs/dbraw/zinc/50/70/21/698507021.db2.gz QPDWFZRGWZDPPW-UHFFFAOYSA-N 0 1 316.361 1.002 10 0 DDAEMN Cc1cc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)on1 ZINC000702845563 699234284 /nfs/dbraw/zinc/23/42/84/699234284.db2.gz NONWLIROXLXHDD-YPMHNXCESA-N 0 1 311.382 1.300 10 0 DDAEMN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720655362 699307093 /nfs/dbraw/zinc/30/70/93/699307093.db2.gz PVPGRLTWZWOHCT-SSDOTTSWSA-N 0 1 301.137 1.812 10 0 DDAEMN CN1CCOC[C@H]1c1nc(CNc2nc3ccccc3o2)n[nH]1 ZINC000888099096 709213194 /nfs/dbraw/zinc/21/31/94/709213194.db2.gz RPRHEYCJAZKNSO-NSHDSACASA-N 0 1 314.349 1.561 10 0 DDAEMN CN1CCOC[C@H]1c1nnc(CNc2nc3ccccc3o2)[nH]1 ZINC000888099096 709213195 /nfs/dbraw/zinc/21/31/95/709213195.db2.gz RPRHEYCJAZKNSO-NSHDSACASA-N 0 1 314.349 1.561 10 0 DDAEMN CCOC(=O)c1cc(CN2CCCC[C@@H]2c2nnc[nH]2)on1 ZINC000895196671 711450239 /nfs/dbraw/zinc/45/02/39/711450239.db2.gz BFEADEPAUASCFW-GFCCVEGCSA-N 0 1 305.338 1.697 10 0 DDAEMN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000895688425 711578419 /nfs/dbraw/zinc/57/84/19/711578419.db2.gz PSLKCOHFOSEZHL-BBRMVZONSA-N 0 1 313.401 1.558 10 0 DDAEMN CC(C)N1CC[C@@H](N2CC[C@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000931119548 714006573 /nfs/dbraw/zinc/00/65/73/714006573.db2.gz HNYLIVPGISYMTC-DZGCQCFKSA-N 0 1 303.410 1.412 10 0 DDAEMN C[C@H](O)CN1CC[N@H+](CCCOCc2ccccc2)C[C@H]1C ZINC000248544443 282089811 /nfs/dbraw/zinc/08/98/11/282089811.db2.gz CXNSLYNABWAQOH-SJORKVTESA-N 0 1 306.450 1.980 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cc(Cl)ccc1Cl ZINC000074731590 185014258 /nfs/dbraw/zinc/01/42/58/185014258.db2.gz MMMIDWZMRFCPHY-UHFFFAOYSA-N 0 1 314.128 1.551 10 0 DDAEMN CN1CCN(c2ccc(NS(=O)(=O)N3CCCC3)cc2)CC1 ZINC000074752925 185015988 /nfs/dbraw/zinc/01/59/88/185015988.db2.gz AWOOELNQOZLLGN-UHFFFAOYSA-N 0 1 324.450 1.191 10 0 DDAEMN C[NH2+][C@@H](CSc1nccc(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000081775150 192322679 /nfs/dbraw/zinc/32/26/79/192322679.db2.gz YVNGXCPHXYHYET-JTQLQIEISA-N 0 1 305.359 1.964 10 0 DDAEMN COc1ccc([C@H](N)CS(=O)(=O)CC(C)C)cc1OC ZINC000081929541 192341296 /nfs/dbraw/zinc/34/12/96/192341296.db2.gz IKKIBFOWBOCOML-GFCCVEGCSA-N 0 1 301.408 1.774 10 0 DDAEMN O=C(C[C@H]1CCCCC(=O)N1)N1CCN(C2CCOCC2)CC1 ZINC000328677415 231303208 /nfs/dbraw/zinc/30/32/08/231303208.db2.gz SBRBXUFKSHFCND-CQSZACIVSA-N 0 1 323.437 1.599 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1csc(Br)c1 ZINC000088003847 185238097 /nfs/dbraw/zinc/23/80/97/185238097.db2.gz RNNPWUZUJMLGSI-MRVPVSSYSA-N 0 1 307.213 1.443 10 0 DDAEMN CNCc1nnnn1-c1c2nsnc2c(Cl)cc1Cl ZINC000088127750 185240372 /nfs/dbraw/zinc/24/03/72/185240372.db2.gz VBMGJUNHYJYQLP-UHFFFAOYSA-N 0 1 316.177 1.693 10 0 DDAEMN Cc1cnc([C@H](NC[C@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344394 539245965 /nfs/dbraw/zinc/24/59/65/539245965.db2.gz KIXKYIGBUBEBKN-GXTWGEPZSA-N 0 1 309.435 1.476 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](N)c1ccc(C(C)C)cc1 ZINC000081977028 192348652 /nfs/dbraw/zinc/34/86/52/192348652.db2.gz RNTJHAYZJVGYGT-AWEZNQCLSA-N 0 1 313.419 1.788 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000183674435 539242892 /nfs/dbraw/zinc/24/28/92/539242892.db2.gz ZAAJEXLLZNBARM-ZYHUDNBSSA-N 0 1 323.359 1.148 10 0 DDAEMN Nc1c2cccnc2sc1C(=O)N[C@@H]1CN2CCC1CC2 ZINC000088639554 185260622 /nfs/dbraw/zinc/26/06/22/185260622.db2.gz XOPSVZVNSIWQRS-LLVKDONJSA-N 0 1 302.403 1.703 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(CO)oc1C ZINC000088895173 185270001 /nfs/dbraw/zinc/27/00/01/185270001.db2.gz RHUZXCFJLZXQMQ-UHFFFAOYSA-N 0 1 304.412 1.043 10 0 DDAEMN CCC[N@H+](Cc1c(C)nn(C)c1Cl)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090526898 185300598 /nfs/dbraw/zinc/30/05/98/185300598.db2.gz ACCCYFZFEOGXHM-NWDGAFQWSA-N 0 1 315.801 1.694 10 0 DDAEMN CCC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090526898 185300599 /nfs/dbraw/zinc/30/05/99/185300599.db2.gz ACCCYFZFEOGXHM-NWDGAFQWSA-N 0 1 315.801 1.694 10 0 DDAEMN C[N@H+]1CCN(C(=O)N(CC(=O)[O-])CC(F)(F)F)CC1(C)C ZINC000092446139 185318994 /nfs/dbraw/zinc/31/89/94/185318994.db2.gz WMSMSBYUNAHXHF-UHFFFAOYSA-N 0 1 311.304 1.081 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccnc1NC ZINC000092672970 185332998 /nfs/dbraw/zinc/33/29/98/185332998.db2.gz BXCVDYLABNKSJA-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)cccc1N ZINC000092622711 185329887 /nfs/dbraw/zinc/32/98/87/185329887.db2.gz FULBDSRSVKMRRO-ZDUSSCGKSA-N 0 1 311.451 1.682 10 0 DDAEMN CN(CCC1CCCCC1)C(=O)[C@H](N)CCS(C)(=O)=O ZINC000237245266 282406495 /nfs/dbraw/zinc/40/64/95/282406495.db2.gz ACCDRHIAQQWFDB-CYBMUJFWSA-N 0 1 304.456 1.177 10 0 DDAEMN CC[C@H]([NH3+])Cc1c(C)nn(C)c1Sc1nc(C)cc(=O)[n-]1 ZINC000111582253 185614913 /nfs/dbraw/zinc/61/49/13/185614913.db2.gz WBVKWQNVFJVCIA-JTQLQIEISA-N 0 1 307.423 1.551 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCCC[C@H]1c1nn[nH]n1 ZINC000616624839 362761177 /nfs/dbraw/zinc/76/11/77/362761177.db2.gz HMSSWPPKCRGIBD-NSHDSACASA-N 0 1 310.402 1.642 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@H]1c1nnn[n-]1 ZINC000616624839 362761183 /nfs/dbraw/zinc/76/11/83/362761183.db2.gz HMSSWPPKCRGIBD-NSHDSACASA-N 0 1 310.402 1.642 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1c1nnn[n-]1 ZINC000616624839 362761186 /nfs/dbraw/zinc/76/11/86/362761186.db2.gz HMSSWPPKCRGIBD-NSHDSACASA-N 0 1 310.402 1.642 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2c[nH]nn2)CC1 ZINC000616665832 362776007 /nfs/dbraw/zinc/77/60/07/362776007.db2.gz ZNSZJMBQXGAQQU-LBPRGKRZSA-N 0 1 311.386 1.093 10 0 DDAEMN O=C(OCc1ccccc1)N1CCc2c(=O)[nH][nH]c2[C@H](F)C1 ZINC000725261878 539570145 /nfs/dbraw/zinc/57/01/45/539570145.db2.gz LRLHRTVXSOQLJC-VXGBXAGGSA-N 0 1 305.309 1.469 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CC2CC2)CC1 ZINC000083750052 192381525 /nfs/dbraw/zinc/38/15/25/192381525.db2.gz FJBMIFUSELFDEL-CQSZACIVSA-N 0 1 318.425 1.159 10 0 DDAEMN O=S(=O)([N-]C[C@@H]1CC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000133713881 186009238 /nfs/dbraw/zinc/00/92/38/186009238.db2.gz ZJJRHOAAHYIPAR-ZCFIWIBFSA-N 0 1 315.247 1.943 10 0 DDAEMN Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)oc2c1C(=O)CCC2 ZINC000172307752 198077386 /nfs/dbraw/zinc/07/73/86/198077386.db2.gz MSLVAQLSYMDRNM-LBPRGKRZSA-N 0 1 320.389 1.510 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3ccc(C(=O)OC)o3)CCO2)n[nH]1 ZINC000173688306 198240466 /nfs/dbraw/zinc/24/04/66/198240466.db2.gz RKLOXKSPHVZGGV-LBPRGKRZSA-N 0 1 320.349 1.320 10 0 DDAEMN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc[nH]1 ZINC000174162723 198300710 /nfs/dbraw/zinc/30/07/10/198300710.db2.gz GVINYYFAQFGIBA-SNVBAGLBSA-N 0 1 311.386 1.457 10 0 DDAEMN CC(C)OCCN1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000174892713 198397980 /nfs/dbraw/zinc/39/79/80/198397980.db2.gz DSQBMVQUEFLIQG-GOSISDBHSA-N 0 1 306.450 1.937 10 0 DDAEMN COC(=O)[C@@H](NC(=O)CNCc1cccc(F)c1)C(C)(C)C ZINC000115131053 353984129 /nfs/dbraw/zinc/98/41/29/353984129.db2.gz IANADEDDMLEEJK-CQSZACIVSA-N 0 1 310.369 1.619 10 0 DDAEMN COc1ccc(S(=O)(=O)NCCN(C)C)cc1C(C)(C)C ZINC000074934665 191389491 /nfs/dbraw/zinc/38/94/91/191389491.db2.gz SJUOFKALTFMXRP-UHFFFAOYSA-N 0 1 314.451 1.833 10 0 DDAEMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccco2)s1 ZINC000074851636 191372396 /nfs/dbraw/zinc/37/23/96/191372396.db2.gz GGBLFNGRYAZIMR-ZCFIWIBFSA-N 0 1 316.364 1.129 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)NC1 ZINC000080097602 192000722 /nfs/dbraw/zinc/00/07/22/192000722.db2.gz COXSLPDJUNXKEQ-MNOVXSKESA-N 0 1 308.325 1.787 10 0 DDAEMN CC(=O)c1csc(NS(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000080835568 192193880 /nfs/dbraw/zinc/19/38/80/192193880.db2.gz SPQBTNSSEFEOFZ-QMMMGPOBSA-N 0 1 303.409 1.734 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N2CCCC2)n1 ZINC000080869237 192196268 /nfs/dbraw/zinc/19/62/68/192196268.db2.gz QMCYUQDXVZAVQH-VIFPVBQESA-N 0 1 304.441 1.566 10 0 DDAEMN C[C@@H](N)c1csc(NC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000080862648 192197478 /nfs/dbraw/zinc/19/74/78/192197478.db2.gz PMBLQGLDWDJWOV-PELKAZGASA-N 0 1 305.359 1.941 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccc(C)cn3)CCO2)n[nH]1 ZINC000184320158 199702968 /nfs/dbraw/zinc/70/29/68/199702968.db2.gz FDTKGJRFTHJFCV-LLVKDONJSA-N 0 1 316.365 1.676 10 0 DDAEMN CNCc1cn(-c2ccc(I)cc2)nn1 ZINC000081420031 192260651 /nfs/dbraw/zinc/26/06/51/192260651.db2.gz GHCIYPMADARSQP-UHFFFAOYSA-N 0 1 314.130 1.591 10 0 DDAEMN COC(=O)c1cnc([C@H](C)NCC2(O)CCSCC2)s1 ZINC000595550442 356545113 /nfs/dbraw/zinc/54/51/13/356545113.db2.gz QFBJAJUYORTEJU-VIFPVBQESA-N 0 1 316.448 1.838 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586276 192297109 /nfs/dbraw/zinc/29/71/09/192297109.db2.gz WRLFNJNHTUIMKT-QMMMGPOBSA-N 0 1 319.356 1.292 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695171 192313899 /nfs/dbraw/zinc/31/38/99/192313899.db2.gz UBPKDAZAETWJTJ-VIFPVBQESA-N 0 1 318.830 1.032 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000180848047 199218168 /nfs/dbraw/zinc/21/81/68/199218168.db2.gz XSSXZYMOIZWKTA-DLBZAZTESA-N 0 1 317.433 1.793 10 0 DDAEMN C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000188335448 200229961 /nfs/dbraw/zinc/22/99/61/200229961.db2.gz PCSMVQUXBFCUMX-ZJUUUORDSA-N 0 1 309.370 1.323 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000174093152 306685512 /nfs/dbraw/zinc/68/55/12/306685512.db2.gz DHIOKQXJDTVCLF-SJORKVTESA-N 0 1 322.449 1.123 10 0 DDAEMN CC(C)N[C@@](CS[C@@H](C)CCO)(C(N)=O)c1ccccc1 ZINC000091267220 193028780 /nfs/dbraw/zinc/02/87/80/193028780.db2.gz ZDLCDCSYRJCBOY-XJKSGUPXSA-N 0 1 310.463 1.869 10 0 DDAEMN CO[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1c[nH]nn1 ZINC000622165919 365299710 /nfs/dbraw/zinc/29/97/10/365299710.db2.gz WVSQSDRSHJVSCG-DZGCQCFKSA-N 0 1 315.377 1.082 10 0 DDAEMN CO[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1c1cnn[nH]1 ZINC000622165919 365299716 /nfs/dbraw/zinc/29/97/16/365299716.db2.gz WVSQSDRSHJVSCG-DZGCQCFKSA-N 0 1 315.377 1.082 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000091478539 193062700 /nfs/dbraw/zinc/06/27/00/193062700.db2.gz BSZDNCNYAGXJPQ-NSHDSACASA-N 0 1 317.524 1.631 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000091969306 193134237 /nfs/dbraw/zinc/13/42/37/193134237.db2.gz FILJSYXAQGTISN-ZDUSSCGKSA-N 0 1 312.483 1.665 10 0 DDAEMN CCOC(=O)C[C@H](NC(=O)C[C@@H]1COCCN1)c1ccccc1 ZINC000262310986 203257665 /nfs/dbraw/zinc/25/76/65/203257665.db2.gz BUOUDRSXFFEAGK-CABCVRRESA-N 0 1 320.389 1.176 10 0 DDAEMN COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1nc(C)cc(=O)[n-]1 ZINC000093629321 193276800 /nfs/dbraw/zinc/27/68/00/193276800.db2.gz GHRIGEDMCLTQHD-QMTHXVAHSA-N 0 1 311.407 1.231 10 0 DDAEMN CCn1nc(C)c(Cl)c1C[C@H](O)[C@@H]1CN(C)CCN1C ZINC000093893738 193323791 /nfs/dbraw/zinc/32/37/91/193323791.db2.gz XGUZPCHGYOFFPE-STQMWFEESA-N 0 1 300.834 1.014 10 0 DDAEMN CCCNCc1nc(CN(C)CCS(C)(=O)=O)cs1 ZINC000094300786 193358994 /nfs/dbraw/zinc/35/89/94/193358994.db2.gz GBXIMGOWLKOCSW-UHFFFAOYSA-N 0 1 305.469 1.119 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@H]1CCCCN1C ZINC000094360356 193365986 /nfs/dbraw/zinc/36/59/86/193365986.db2.gz WFHHLOPBFYIUFZ-GFCCVEGCSA-N 0 1 315.414 1.479 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000094360528 193366203 /nfs/dbraw/zinc/36/62/03/193366203.db2.gz FCYLYBWTXDCCBI-GFCCVEGCSA-N 0 1 315.414 1.431 10 0 DDAEMN CS(=O)(=O)[C@@H]1CSCCN1c1nc2ccc(N)cc2[nH]1 ZINC000094771268 193396042 /nfs/dbraw/zinc/39/60/42/193396042.db2.gz FRJRENCXSJBVRM-LLVKDONJSA-N 0 1 312.420 1.069 10 0 DDAEMN C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)N(C)C ZINC000038110727 182993209 /nfs/dbraw/zinc/99/32/09/182993209.db2.gz QUNVBAJUCVCPTC-SSDOTTSWSA-N 0 1 322.843 1.278 10 0 DDAEMN NC(=O)c1ccsc1NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000040859410 183143300 /nfs/dbraw/zinc/14/33/00/183143300.db2.gz OHVQXDQCYYNBDZ-LBPRGKRZSA-N 0 1 301.371 1.500 10 0 DDAEMN Nc1cc(N)nc(SCC(=O)Nc2cc(F)ccc2N)n1 ZINC000041023531 183156986 /nfs/dbraw/zinc/15/69/86/183156986.db2.gz CUAUMMHAQGSOIP-UHFFFAOYSA-N 0 1 308.342 1.093 10 0 DDAEMN Nc1ccc2[nH]c(S(=O)(=O)CCc3ccncc3)nc2c1 ZINC000042192859 183240661 /nfs/dbraw/zinc/24/06/61/183240661.db2.gz DNAJVALKSLPIBA-UHFFFAOYSA-N 0 1 302.359 1.557 10 0 DDAEMN Nc1ccc2nc(S(=O)(=O)CCc3ccncc3)[nH]c2c1 ZINC000042192859 183240662 /nfs/dbraw/zinc/24/06/62/183240662.db2.gz DNAJVALKSLPIBA-UHFFFAOYSA-N 0 1 302.359 1.557 10 0 DDAEMN CO[C@@H]1C[C@@H](CO)N(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000284487049 218048430 /nfs/dbraw/zinc/04/84/30/218048430.db2.gz CHPYFWUHTQAVTA-UONOGXRCSA-N 0 1 322.796 1.502 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C)c2ccccc2)CCN1C[C@@H](C)O ZINC000105825386 194137406 /nfs/dbraw/zinc/13/74/06/194137406.db2.gz HXLAMDSJZWAXPY-CVEARBPZSA-N 0 1 319.449 1.426 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(-c3ccco3)no2)CCN1CCOC ZINC000105836840 194142906 /nfs/dbraw/zinc/14/29/06/194142906.db2.gz FJJVGEACJNBCIA-CYBMUJFWSA-N 0 1 320.393 1.872 10 0 DDAEMN CCOCCN1CCN([C@@H](C)C(=O)NCC(C)C)C[C@@H]1CC ZINC000105837978 194143750 /nfs/dbraw/zinc/14/37/50/194143750.db2.gz LMXJGLZHVNZSNL-HOTGVXAUSA-N 0 1 313.486 1.580 10 0 DDAEMN Cc1cnn([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)c1 ZINC000105858472 194148728 /nfs/dbraw/zinc/14/87/28/194148728.db2.gz NUZRTMRZWLUCEY-ZDUSSCGKSA-N 0 1 310.361 1.940 10 0 DDAEMN CN(Cc1cnn(C)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874614 194153846 /nfs/dbraw/zinc/15/38/46/194153846.db2.gz IZCFSJWCSSJUCF-HNNXBMFYSA-N 0 1 320.462 1.987 10 0 DDAEMN C[C@@H]1CN(c2nc3c(cc2C(N)=S)CCCC3)CCN1C ZINC000110755871 194357199 /nfs/dbraw/zinc/35/71/99/194357199.db2.gz BJISPHZTZHQLQX-LLVKDONJSA-N 0 1 304.463 1.735 10 0 DDAEMN NNc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)ccn1 ZINC000061120872 184162720 /nfs/dbraw/zinc/16/27/20/184162720.db2.gz HGLWFVGPNZRDOO-UHFFFAOYSA-N 0 1 318.280 1.585 10 0 DDAEMN COCC[N@@H+](C)CCn1c(SCC(=O)[O-])nnc1C(C)C ZINC000061379947 184170542 /nfs/dbraw/zinc/17/05/42/184170542.db2.gz DUSHZRIIXHHTHG-UHFFFAOYSA-N 0 1 316.427 1.156 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(N)ccc1Cl ZINC000061642487 184180571 /nfs/dbraw/zinc/18/05/71/184180571.db2.gz RRBVCVXWJRBSDE-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN Cc1ccc(C)c(S(=O)(=O)NOCCN2CCCCC2)c1 ZINC000062578219 184244196 /nfs/dbraw/zinc/24/41/96/184244196.db2.gz WSCSDCCIWCJBEF-UHFFFAOYSA-N 0 1 312.435 1.999 10 0 DDAEMN Cc1ccc(S(=O)(=O)NOCCN2CCCCC2)s1 ZINC000062578237 184244202 /nfs/dbraw/zinc/24/42/02/184244202.db2.gz NRVZSZMVDYQWJH-UHFFFAOYSA-N 0 1 304.437 1.752 10 0 DDAEMN O=C([O-])c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000062985391 184264977 /nfs/dbraw/zinc/26/49/77/184264977.db2.gz BSOAIFYQKWICIP-GFCCVEGCSA-N 0 1 310.781 1.949 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000167800345 274050002 /nfs/dbraw/zinc/05/00/02/274050002.db2.gz QERSLAMJWKQKTG-QWRGUYRKSA-N 0 1 300.811 1.967 10 0 DDAEMN COCCN1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C[C@H]1C ZINC000158329520 197262857 /nfs/dbraw/zinc/26/28/57/197262857.db2.gz RSRHWTIQJHWRDE-TZMCWYRMSA-N 0 1 323.441 1.011 10 0 DDAEMN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@@H](CN(C)C)C2)c1C ZINC000155291532 197040446 /nfs/dbraw/zinc/04/04/46/197040446.db2.gz JJELJWJDQPMNRC-AWEZNQCLSA-N 0 1 321.421 1.279 10 0 DDAEMN CCNC(=O)C(C)(C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000155036467 197015836 /nfs/dbraw/zinc/01/58/36/197015836.db2.gz NXPINXQYQVJCBG-OAHLLOKOSA-N 0 1 319.449 1.438 10 0 DDAEMN Cc1ccc(CN2C[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)o1 ZINC000248111100 257109739 /nfs/dbraw/zinc/10/97/39/257109739.db2.gz QXZVCJKINJSWQY-KCXAZCMYSA-N 0 1 304.390 1.846 10 0 DDAEMN COCCN1CCO[C@@H]2CCN(Cc3ncccc3C)C[C@H]21 ZINC000247881718 257115461 /nfs/dbraw/zinc/11/54/61/257115461.db2.gz CIFHKNMXDNSYHM-IAGOWNOFSA-N 0 1 305.422 1.312 10 0 DDAEMN Cc1nn(C)c(C)c1NC(=O)c1ccccc1NS(C)(=O)=O ZINC000000141544 406626125 /nfs/dbraw/zinc/62/61/25/406626125.db2.gz XQLNNGXEDWENML-UHFFFAOYSA-N 0 1 322.390 1.661 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000068271404 406629168 /nfs/dbraw/zinc/62/91/68/406629168.db2.gz FITLGTPCWWNYGQ-LBPRGKRZSA-N 0 1 322.409 1.981 10 0 DDAEMN COC[C@@H](C)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000103385933 407337984 /nfs/dbraw/zinc/33/79/84/407337984.db2.gz NWWPZFOWPGCBQN-CQSZACIVSA-N 0 1 305.422 1.655 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCn1cccn1 ZINC000111646019 407413594 /nfs/dbraw/zinc/41/35/94/407413594.db2.gz DWGLWPOMZNEMFZ-INIZCTEOSA-N 0 1 300.406 1.514 10 0 DDAEMN CCOCCN1CCN(c2ccc3nccnc3n2)C[C@@H]1C ZINC000112080398 407421131 /nfs/dbraw/zinc/42/11/31/407421131.db2.gz IQEXMISPAUNWIU-ZDUSSCGKSA-N 0 1 301.394 1.572 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CCS1 ZINC000112289335 407424766 /nfs/dbraw/zinc/42/47/66/407424766.db2.gz BFTHFSSJANIHKJ-ZDUSSCGKSA-N 0 1 320.462 1.411 10 0 DDAEMN CC1(C)NC(=O)N(CCCN2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000114201777 407552425 /nfs/dbraw/zinc/55/24/25/407552425.db2.gz QTMNOZBUJLKNQU-ZDUSSCGKSA-N 0 1 319.409 1.657 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000262065944 407729902 /nfs/dbraw/zinc/72/99/02/407729902.db2.gz JAZYEMQPWJDMCB-SECBINFHSA-N 0 1 306.284 1.848 10 0 DDAEMN Cn1cc([C@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)cn1 ZINC000152943971 407721912 /nfs/dbraw/zinc/72/19/12/407721912.db2.gz NGRLKAGKLRKFCI-AWEZNQCLSA-N 0 1 322.372 1.835 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)NCc2n[nH]c(COc3ccccc3)n2)O1 ZINC000186676573 407741769 /nfs/dbraw/zinc/74/17/69/407741769.db2.gz IOKQEVAYZAOMHR-YPMHNXCESA-N 0 1 316.361 1.567 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000262208815 407765682 /nfs/dbraw/zinc/76/56/82/407765682.db2.gz DSEPHYOFDUYZBG-CQSZACIVSA-N 0 1 319.336 1.603 10 0 DDAEMN CCOCCN1CCN(C(=O)Cn2nc(C)cc2C)C[C@H]1CC ZINC000116768713 407772311 /nfs/dbraw/zinc/77/23/11/407772311.db2.gz GYWGOGWNXFTINP-MRXNPFEDSA-N 0 1 322.453 1.459 10 0 DDAEMN Cc1ccc(C(=O)CCC(=O)N2CCO[C@H](CN(C)C)C2)s1 ZINC000116784404 407775089 /nfs/dbraw/zinc/77/50/89/407775089.db2.gz RIIDSAGLSMTSEC-CYBMUJFWSA-N 0 1 324.446 1.808 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000262365469 407812727 /nfs/dbraw/zinc/81/27/27/407812727.db2.gz VZTDARGYFJWTOP-NSHDSACASA-N 0 1 304.394 1.783 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000262374531 407816291 /nfs/dbraw/zinc/81/62/91/407816291.db2.gz WZVHDDMDTIDCFK-YGRLFVJLSA-N 0 1 320.393 1.121 10 0 DDAEMN CCOc1ccc(Cl)cc1CCNC(=O)[C@@H](N)COC ZINC000262385741 407820855 /nfs/dbraw/zinc/82/08/55/407820855.db2.gz YIWLQGZFTDTTQO-LBPRGKRZSA-N 0 1 300.786 1.371 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCN1CCOC ZINC000117306797 407825447 /nfs/dbraw/zinc/82/54/47/407825447.db2.gz BRABJJPICZVBNZ-MRXNPFEDSA-N 0 1 308.397 1.937 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cnc4c(C)cccn34)CCO2)n[nH]1 ZINC000180113534 407856956 /nfs/dbraw/zinc/85/69/56/407856956.db2.gz CDTWQWAYJAYMIA-CQSZACIVSA-N 0 1 312.377 1.643 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000180030755 407848708 /nfs/dbraw/zinc/84/87/08/407848708.db2.gz ZDFKXYJIGMYVNA-UHFFFAOYSA-N 0 1 308.422 1.520 10 0 DDAEMN CN1CCO[C@@H](CNC(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000245201807 407951221 /nfs/dbraw/zinc/95/12/21/407951221.db2.gz MPNHDMJFGRMUTM-DLBZAZTESA-N 0 1 317.433 1.098 10 0 DDAEMN CC(C)N(C(=O)CN1CCC([N@@H+](C)CC(=O)[O-])CC1)C(C)C ZINC000262948329 407980992 /nfs/dbraw/zinc/98/09/92/407980992.db2.gz OGQPCFOMHIPWEO-UHFFFAOYSA-N 0 1 313.442 1.113 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(N)=O)cs2)CCN1C[C@H](C)O ZINC000245723009 408052079 /nfs/dbraw/zinc/05/20/79/408052079.db2.gz IFHCBFIEENBCRT-AAEUAGOBSA-N 0 1 311.451 1.124 10 0 DDAEMN CCC[C@H](C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262963084 407985964 /nfs/dbraw/zinc/98/59/64/407985964.db2.gz QMYPDAQKWIDHAQ-QWHCGFSZSA-N 0 1 300.399 1.057 10 0 DDAEMN CCOCCN1CCN(c2ccc3nnc(CC)n3n2)C[C@H]1C ZINC000174735953 407987534 /nfs/dbraw/zinc/98/75/34/407987534.db2.gz SZYVDQSOMGRNRU-CYBMUJFWSA-N 0 1 318.425 1.234 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCC[C@@H](C)C2)C1 ZINC000262998080 407999256 /nfs/dbraw/zinc/99/92/56/407999256.db2.gz MMSDFEZMEBNNJA-KBHBFKLGSA-N 0 1 311.426 1.802 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CCO2)n[nH]1 ZINC000245500519 407999443 /nfs/dbraw/zinc/99/94/43/407999443.db2.gz AMCKNMMVMQRUEZ-LFSVMHDDSA-N 0 1 323.397 1.152 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)CCCOC)CCN1C[C@@H](C)O ZINC000245561652 408019298 /nfs/dbraw/zinc/01/92/98/408019298.db2.gz XLSYBCQUJDJOEB-RBSFLKMASA-N 0 1 300.443 1.353 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(F)ccc3O)CCO2)n[nH]1 ZINC000175258123 408089651 /nfs/dbraw/zinc/08/96/51/408089651.db2.gz KEQVFFPLRDGHGC-LBPRGKRZSA-N 0 1 320.324 1.426 10 0 DDAEMN CC(C)Cc1ccc([C@H](C)NCC(=O)N2CCNC(=O)C2)cc1 ZINC000154843877 408094865 /nfs/dbraw/zinc/09/48/65/408094865.db2.gz RSUVFVSMSDYMEW-AWEZNQCLSA-N 0 1 317.433 1.494 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2occc2C)C1 ZINC000263328772 408108622 /nfs/dbraw/zinc/10/86/22/408108622.db2.gz BYEHLJLDGDAXLK-UHFFFAOYSA-N 0 1 309.366 1.325 10 0 DDAEMN CC[C@H]1CCCN(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263466214 408146960 /nfs/dbraw/zinc/14/69/60/408146960.db2.gz KCGJNWFZXJOARV-HSBZDZAISA-N 0 1 311.426 1.756 10 0 DDAEMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000155426864 408164713 /nfs/dbraw/zinc/16/47/13/408164713.db2.gz GVBVDIWVGDKJFX-JSGCOSHPSA-N 0 1 302.378 1.708 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(NC3CC3)ncn2)C1 ZINC000263561065 408175759 /nfs/dbraw/zinc/17/57/59/408175759.db2.gz RNIPYGSHADGAQZ-UHFFFAOYSA-N 0 1 305.382 1.400 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3ccncc3)CCO2)n[nH]1 ZINC000151104960 408255166 /nfs/dbraw/zinc/25/51/66/408255166.db2.gz IPDGDONMKRHKNX-LBPRGKRZSA-N 0 1 316.365 1.045 10 0 DDAEMN O=c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c2ccc([O-])cc2o1 ZINC000246280147 408200879 /nfs/dbraw/zinc/20/08/79/408200879.db2.gz HSKVPYHCVZXMKG-ZDUSSCGKSA-N 0 1 300.358 1.779 10 0 DDAEMN O=c1cc(CN2CC[N@H+]3CCC[C@H]3C2)c2ccc([O-])cc2o1 ZINC000246280147 408200885 /nfs/dbraw/zinc/20/08/85/408200885.db2.gz HSKVPYHCVZXMKG-ZDUSSCGKSA-N 0 1 300.358 1.779 10 0 DDAEMN C[C@@H]1OCCC[C@H]1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000190265084 408204141 /nfs/dbraw/zinc/20/41/41/408204141.db2.gz KGQKKGFAODDDRJ-GXTWGEPZSA-N 0 1 314.389 1.946 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)COC(C)(C)C ZINC000246286221 408204797 /nfs/dbraw/zinc/20/47/97/408204797.db2.gz OFSOTLFAZVHROC-AJNGGQMLSA-N 0 1 313.438 1.969 10 0 DDAEMN C[C@H]1CN(CC(=O)NCC2CCCCC2)C[C@H]1N1CCOCC1 ZINC000246305035 408213642 /nfs/dbraw/zinc/21/36/42/408213642.db2.gz CAOOLFXUBPPCDH-DOTOQJQBSA-N 0 1 323.481 1.335 10 0 DDAEMN CC(C)[N@H+]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](C)C1 ZINC000150858666 408214277 /nfs/dbraw/zinc/21/42/77/408214277.db2.gz GYZZUZOUVPKLSL-FZMZJTMJSA-N 0 1 314.389 1.382 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](C)C1 ZINC000150858666 408214282 /nfs/dbraw/zinc/21/42/82/408214282.db2.gz GYZZUZOUVPKLSL-FZMZJTMJSA-N 0 1 314.389 1.382 10 0 DDAEMN O=C(NC[C@H]1CSCCS1)N1CCN2CCCC[C@H]2C1 ZINC000246315386 408217841 /nfs/dbraw/zinc/21/78/41/408217841.db2.gz WNHDJHUGDBJILR-STQMWFEESA-N 0 1 315.508 1.715 10 0 DDAEMN CC(C)(C)OC[C@@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157055905 408285737 /nfs/dbraw/zinc/28/57/37/408285737.db2.gz GFCFMNKPRZQXFU-OLZOCXBDSA-N 0 1 316.442 1.761 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)SC)CCN1CCOC ZINC000246543447 408287652 /nfs/dbraw/zinc/28/76/52/408287652.db2.gz KSKTXOWVBPFQNZ-QWHCGFSZSA-N 0 1 303.472 1.490 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@H](C)CSC)C[C@@H]1CC ZINC000246868101 408357180 /nfs/dbraw/zinc/35/71/80/408357180.db2.gz FKCCATNVAMDPGJ-KGLIPLIRSA-N 0 1 302.484 1.945 10 0 DDAEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1C ZINC000176451489 408370288 /nfs/dbraw/zinc/37/02/88/408370288.db2.gz PKUFEXSWWARRFZ-QWHCGFSZSA-N 0 1 301.390 1.695 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1C ZINC000176451489 408370293 /nfs/dbraw/zinc/37/02/93/408370293.db2.gz PKUFEXSWWARRFZ-QWHCGFSZSA-N 0 1 301.390 1.695 10 0 DDAEMN Cc1cc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)o1 ZINC000183254143 408364896 /nfs/dbraw/zinc/36/48/96/408364896.db2.gz NVCJDPCTRCZEOW-GWCFXTLKSA-N 0 1 300.424 1.903 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)CCN1CCOC ZINC000246998486 408385249 /nfs/dbraw/zinc/38/52/49/408385249.db2.gz BHWZBUAHNBVVQM-HZPDHXFCSA-N 0 1 311.470 1.430 10 0 DDAEMN COc1ccccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173544355 162347798 /nfs/dbraw/zinc/34/77/98/162347798.db2.gz QXZMDZKKTNJCBJ-ZDUSSCGKSA-N 0 1 302.334 1.335 10 0 DDAEMN C[C@@H](C(=O)NCC1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173943964 162379581 /nfs/dbraw/zinc/37/95/81/162379581.db2.gz YDOMHLAMDRYPSI-RDJZCZTQSA-N 0 1 323.481 1.478 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)NCC(C)C)C[C@@H]1CC ZINC000247150457 408418442 /nfs/dbraw/zinc/41/84/42/408418442.db2.gz LMXJGLZHVNZSNL-CVEARBPZSA-N 0 1 313.486 1.580 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@]1(O)CCSC1 ZINC000176727698 408425812 /nfs/dbraw/zinc/42/58/12/408425812.db2.gz BXAZNHXMOHOWQJ-ZBFHGGJFSA-N 0 1 308.447 1.144 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000247194924 408426322 /nfs/dbraw/zinc/42/63/22/408426322.db2.gz TXNLYKIOGFLOPW-LSDHHAIUSA-N 0 1 317.437 1.436 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(CC)n2C)C[C@@H]1CC ZINC000247229919 408434185 /nfs/dbraw/zinc/43/41/85/408434185.db2.gz RETNAEXTTPDIFN-AWEZNQCLSA-N 0 1 309.458 1.310 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(Cl)nc3)CCO2)n[nH]1 ZINC000177044106 408505493 /nfs/dbraw/zinc/50/54/93/408505493.db2.gz SRRRWEWOSQMNCJ-SNVBAGLBSA-N 0 1 322.756 1.767 10 0 DDAEMN C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000177222264 408555547 /nfs/dbraw/zinc/55/55/47/408555547.db2.gz HQDSIUMVYVEXLR-PBHICJAKSA-N 0 1 308.397 1.857 10 0 DDAEMN Cc1cccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)c1F ZINC000248459743 408570979 /nfs/dbraw/zinc/57/09/79/408570979.db2.gz VYAXENPZADADPT-CHWSQXEVSA-N 0 1 312.410 1.991 10 0 DDAEMN COc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000248735141 408627739 /nfs/dbraw/zinc/62/77/39/408627739.db2.gz XAWKRZYZGJEBCB-NSHDSACASA-N 0 1 314.382 1.303 10 0 DDAEMN COc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)ccc1F ZINC000248735141 408627743 /nfs/dbraw/zinc/62/77/43/408627743.db2.gz XAWKRZYZGJEBCB-NSHDSACASA-N 0 1 314.382 1.303 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCOC(C)C)CCN1C[C@@H](C)O ZINC000184696253 408670501 /nfs/dbraw/zinc/67/05/01/408670501.db2.gz JWFOKFITMIEQIX-CABCVRRESA-N 0 1 315.458 1.288 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000180105238 162749069 /nfs/dbraw/zinc/74/90/69/162749069.db2.gz TUKJKVATMSGMHJ-LBPRGKRZSA-N 0 1 324.816 1.636 10 0 DDAEMN CCC[C@@H](C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)N(C)C ZINC000185020266 408739815 /nfs/dbraw/zinc/73/98/15/408739815.db2.gz WUJFEJMADXUGBI-GJZGRUSLSA-N 0 1 318.421 1.424 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000195111314 408810927 /nfs/dbraw/zinc/81/09/27/408810927.db2.gz ROWOLSKABGDWBR-ZNMIVQPWSA-N 0 1 322.457 1.328 10 0 DDAEMN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000253359587 408813928 /nfs/dbraw/zinc/81/39/28/408813928.db2.gz YDMJRRDYYXCESZ-GJZGRUSLSA-N 0 1 307.438 1.474 10 0 DDAEMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195051862 163303806 /nfs/dbraw/zinc/30/38/06/163303806.db2.gz LLEJLTFZRBGJHQ-CHWSQXEVSA-N 0 1 311.426 1.596 10 0 DDAEMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195051862 163303808 /nfs/dbraw/zinc/30/38/08/163303808.db2.gz LLEJLTFZRBGJHQ-CHWSQXEVSA-N 0 1 311.426 1.596 10 0 DDAEMN COc1cccc(OCC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000195041503 163304904 /nfs/dbraw/zinc/30/49/04/163304904.db2.gz JWKQCXPFDKYMKR-AWEZNQCLSA-N 0 1 304.390 1.771 10 0 DDAEMN COc1cccc(OCC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000195041503 163304908 /nfs/dbraw/zinc/30/49/08/163304908.db2.gz JWKQCXPFDKYMKR-AWEZNQCLSA-N 0 1 304.390 1.771 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000061365776 418485298 /nfs/dbraw/zinc/48/52/98/418485298.db2.gz QWKANSMDWWXSBR-GHMZBOCLSA-N 0 1 316.448 1.004 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000193356724 222151189 /nfs/dbraw/zinc/15/11/89/222151189.db2.gz LXHJROZWPVYGMJ-KRWDZBQOSA-N 0 1 308.422 1.692 10 0 DDAEMN CCCCOC[C@@H](O)CNCc1c(Br)cnn1C ZINC000634725988 422593468 /nfs/dbraw/zinc/59/34/68/422593468.db2.gz ISLXVDJMLXNVFC-JTQLQIEISA-N 0 1 320.231 1.450 10 0 DDAEMN Cc1nnc([C@H]2CN(Cc3n[nH]c(C(C)C)n3)C[C@@H](C)O2)o1 ZINC000661926695 424269011 /nfs/dbraw/zinc/26/90/11/424269011.db2.gz AFDIWEUEDXLWPB-MWLCHTKSSA-N 0 1 306.370 1.582 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/SCc2ccco2)C[C@H]1C ZINC000246733995 282010511 /nfs/dbraw/zinc/01/05/11/282010511.db2.gz XTQMPSHUNIBYIQ-JEELVDDXSA-N 0 1 324.446 1.940 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000173236886 298253992 /nfs/dbraw/zinc/25/39/92/298253992.db2.gz DBPYZIVYDTXWOB-CHWSQXEVSA-N 0 1 309.414 1.212 10 0 DDAEMN Cc1nc(CN[C@@H]2CCOC[C@@H]2O)sc1Br ZINC000719258832 699299846 /nfs/dbraw/zinc/29/98/46/699299846.db2.gz MCRGLNQSLYXUPX-SFYZADRCSA-N 0 1 307.213 1.453 10 0 DDAEMN Cn1cc([C@H]2CCCN2C(=O)c2nnc3ccccc3c2O)cn1 ZINC000111607620 696644991 /nfs/dbraw/zinc/64/49/91/696644991.db2.gz ONZITYDPIGIYQS-CQSZACIVSA-N 0 1 323.356 1.634 10 0 DDAEMN COCCN1CCN(Cn2nc(C(C)(C)C)ccc2=O)C[C@@H]1C ZINC000117322211 696670675 /nfs/dbraw/zinc/67/06/75/696670675.db2.gz UDLQGGSKYKOJMV-AWEZNQCLSA-N 0 1 322.453 1.151 10 0 DDAEMN CCCn1cc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cn1 ZINC000177120607 697409634 /nfs/dbraw/zinc/40/96/34/697409634.db2.gz NWKJFLPPGNYVPC-LBPRGKRZSA-N 0 1 319.369 1.325 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181192675 697455625 /nfs/dbraw/zinc/45/56/25/697455625.db2.gz CAMJKALPJZSYIV-LBPRGKRZSA-N 0 1 324.344 1.409 10 0 DDAEMN CCOCCN1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000192001520 697618321 /nfs/dbraw/zinc/61/83/21/697618321.db2.gz VRSMCHSEMTXUIE-GJZGRUSLSA-N 0 1 310.438 1.515 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000262317392 698464244 /nfs/dbraw/zinc/46/42/44/698464244.db2.gz QKUASQXHHAQNTF-HZUKXOBISA-N 0 1 301.390 1.315 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCSC(C)C)C1 ZINC000263334054 698500415 /nfs/dbraw/zinc/50/04/15/698500415.db2.gz DBGIPNORHFCPFS-UHFFFAOYSA-N 0 1 317.455 1.365 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@H]2C[C@H]2C(C)C)C1 ZINC000263378839 698503713 /nfs/dbraw/zinc/50/37/13/698503713.db2.gz OOWHJVKNCLOEBJ-ABXWRUBCSA-N 0 1 311.426 1.515 10 0 DDAEMN NC(=O)C[C@]1(O)CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000888078890 709210812 /nfs/dbraw/zinc/21/08/12/709210812.db2.gz GVYYWRLTKBCNGZ-MRXNPFEDSA-N 0 1 306.410 1.201 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(C)nc2NC)CCN1C[C@@H](C)O ZINC000900868610 709798996 /nfs/dbraw/zinc/79/89/96/709798996.db2.gz UBVKPGNBWNYEGA-ZIAGYGMSSA-N 0 1 320.437 1.349 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)CSC)CCN1C[C@@H](C)O ZINC000248504956 282088114 /nfs/dbraw/zinc/08/81/14/282088114.db2.gz VWIJGVRLOAHECD-JHJVBQTASA-N 0 1 303.472 1.225 10 0 DDAEMN CC[C@H]1CN(C(=O)NC2CCSCC2)CCN1C[C@H](C)O ZINC000248460228 282085554 /nfs/dbraw/zinc/08/55/54/282085554.db2.gz SGJSODBFWDEPGV-JSGCOSHPSA-N 0 1 315.483 1.369 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1C[C@H](C)O ZINC000248484658 282087303 /nfs/dbraw/zinc/08/73/03/282087303.db2.gz KDQFTWKHTRDIBN-SQWLQELKSA-N 0 1 313.442 1.042 10 0 DDAEMN CCS(=O)(=O)CCC[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612642 185229184 /nfs/dbraw/zinc/22/91/84/185229184.db2.gz UXNGRLJEBUEODS-AWEZNQCLSA-N 0 1 311.403 1.495 10 0 DDAEMN CCS(=O)(=O)CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612642 185229185 /nfs/dbraw/zinc/22/91/85/185229185.db2.gz UXNGRLJEBUEODS-AWEZNQCLSA-N 0 1 311.403 1.495 10 0 DDAEMN Nc1nc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2s1 ZINC000087847150 185233245 /nfs/dbraw/zinc/23/32/45/185233245.db2.gz VPABXAQVSOGZEM-LBPRGKRZSA-N 0 1 302.403 1.703 10 0 DDAEMN CCc1ccc([C@@H](N)[C@H](C)S(=O)(=O)CCC(=O)OC)cc1 ZINC000081974661 192348159 /nfs/dbraw/zinc/34/81/59/192348159.db2.gz DUMIZHHBSFHBRD-NHYWBVRUSA-N 0 1 313.419 1.615 10 0 DDAEMN C[C@H](NC(=O)CCc1cnc[nH]1)c1ccc2c(c1)OCCO2 ZINC000189068562 539253077 /nfs/dbraw/zinc/25/30/77/539253077.db2.gz BWKQDMACBMNUKQ-NSHDSACASA-N 0 1 301.346 1.991 10 0 DDAEMN COc1ccc(Cl)cc1NS(=O)(=O)[C@H](C)C(N)=S ZINC000088487073 185253385 /nfs/dbraw/zinc/25/33/85/185253385.db2.gz ALBFNCVBWVPWMU-ZCFIWIBFSA-N 0 1 308.812 1.765 10 0 DDAEMN Nc1cc(Cl)c(F)c(S(=O)(=O)NCc2cnc[nH]2)c1 ZINC000088750495 185264184 /nfs/dbraw/zinc/26/41/84/185264184.db2.gz VYRDGOXFFUFMAO-UHFFFAOYSA-N 0 1 304.734 1.263 10 0 DDAEMN Nc1c(C(=O)[O-])cc[nH+]c1N1CCN(c2nccs2)CC1 ZINC000088797316 185265980 /nfs/dbraw/zinc/26/59/80/185265980.db2.gz CEEINEPGAOYPDC-UHFFFAOYSA-N 0 1 305.363 1.145 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2ccc(CO)s2)CC1 ZINC000088891817 185269703 /nfs/dbraw/zinc/26/97/03/185269703.db2.gz SZEVOJATHQVUGY-UHFFFAOYSA-N 0 1 318.464 1.345 10 0 DDAEMN C[C@H](C[NH3+])CSCC(=O)[N-]C(=O)c1ccccc1Cl ZINC000090350981 185292127 /nfs/dbraw/zinc/29/21/27/185292127.db2.gz GWGMTKZTBZQXGF-SECBINFHSA-N 0 1 300.811 1.924 10 0 DDAEMN C[N@H+]1CCC[C@@H](n2c3ccncc3nc2SCC(=O)[O-])C1 ZINC000092514872 185323617 /nfs/dbraw/zinc/32/36/17/185323617.db2.gz UKBYEMPOOBGTHL-SNVBAGLBSA-N 0 1 306.391 1.875 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2ccccn2)CCN1C[C@@H](C)O ZINC000181524942 199310429 /nfs/dbraw/zinc/31/04/29/199310429.db2.gz ZCBGCXKGIFMTIX-ZBFHGGJFSA-N 0 1 320.437 1.111 10 0 DDAEMN Brc1ccc(-n2cncc2[C@H]2CNCCO2)nc1 ZINC000097014081 185397321 /nfs/dbraw/zinc/39/73/21/185397321.db2.gz YMKCOQVHSANZQI-LLVKDONJSA-N 0 1 309.167 1.691 10 0 DDAEMN COc1cc2c(cc1OC)N(N)C(O)=C(C(=O)OC(C)(C)C)C2 ZINC000616220757 362590251 /nfs/dbraw/zinc/59/02/51/362590251.db2.gz SISSEWZCGCJPOG-SNVBAGLBSA-N 0 1 322.361 1.425 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@H](c2nc[nH]n2)CC1 ZINC000616631028 362762777 /nfs/dbraw/zinc/76/27/77/362762777.db2.gz PSXTZRUCDHQETL-LBPRGKRZSA-N 0 1 306.391 1.763 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CNCCN1C(=O)OC(C)(C)C ZINC000616636258 362764595 /nfs/dbraw/zinc/76/45/95/362764595.db2.gz UDWUYJBUZCUNSZ-NSHDSACASA-N 0 1 315.414 1.720 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2ccc(O)cc2)C[C@@H]1CC ZINC000133832355 186012928 /nfs/dbraw/zinc/01/29/28/186012928.db2.gz XKBMJWNBQGQOJO-INIZCTEOSA-N 0 1 320.433 1.894 10 0 DDAEMN Cc1cc(C)cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262910006 186324010 /nfs/dbraw/zinc/32/40/10/186324010.db2.gz JMLJBCOGKYZRDD-HNNXBMFYSA-N 0 1 320.389 1.161 10 0 DDAEMN O=c1c2ccccc2ncn1CCN1CCC[C@@H](n2cncn2)C1 ZINC000172247427 198065110 /nfs/dbraw/zinc/06/51/10/198065110.db2.gz IGPHAEOSTQHWKU-CQSZACIVSA-N 0 1 324.388 1.325 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000174085904 198289035 /nfs/dbraw/zinc/28/90/35/198289035.db2.gz RJWQBPLRXISMRF-ZDUSSCGKSA-N 0 1 322.434 1.687 10 0 DDAEMN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3NCCc4ccccc43)C2)cn1 ZINC000169166046 354251282 /nfs/dbraw/zinc/25/12/82/354251282.db2.gz ISSHXOQUTBRXHS-RHSMWYFYSA-N 0 1 310.401 1.623 10 0 DDAEMN CCOc1ccc(S(=O)(=O)NCCN(C)C)cc1Cl ZINC000074935372 191389380 /nfs/dbraw/zinc/38/93/80/191389380.db2.gz FTJLCTUEOMUNMZ-UHFFFAOYSA-N 0 1 306.815 1.579 10 0 DDAEMN O=C(NCCC1CC1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000074819312 191366028 /nfs/dbraw/zinc/36/60/28/191366028.db2.gz OZTBGGDVPFLOSH-KRWDZBQOSA-N 0 1 317.433 1.505 10 0 DDAEMN CN(C1CCN(C)CC1)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081680442 192313010 /nfs/dbraw/zinc/31/30/10/192313010.db2.gz KUWPJDWTFZXJBQ-UHFFFAOYSA-N 0 1 318.830 1.032 10 0 DDAEMN CC[C@H]1CN(C(=O)c2c[nH]nc2C(C)C)CCN1C[C@@H](C)O ZINC000193802982 201126540 /nfs/dbraw/zinc/12/65/40/201126540.db2.gz RTOYUSFJAQPSGT-OLZOCXBDSA-N 0 1 308.426 1.450 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091488297 193063399 /nfs/dbraw/zinc/06/33/99/193063399.db2.gz WCXNKFYXHSHLHN-MNOVXSKESA-N 0 1 317.524 1.773 10 0 DDAEMN CCc1cc(CN2CCC(SC)(C(N)=S)CC2)n(C)n1 ZINC000091487843 193063427 /nfs/dbraw/zinc/06/34/27/193063427.db2.gz MXTCMSKQYQVLJS-UHFFFAOYSA-N 0 1 312.508 1.966 10 0 DDAEMN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCN1 ZINC000262754181 203399276 /nfs/dbraw/zinc/39/92/76/203399276.db2.gz CSOPXAKHESLHIK-GHMZBOCLSA-N 0 1 323.343 1.138 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780207 193307856 /nfs/dbraw/zinc/30/78/56/193307856.db2.gz WGVGTOHPPCUNIY-UFBFGSQYSA-N 0 1 316.452 1.509 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093853093 193319033 /nfs/dbraw/zinc/31/90/33/193319033.db2.gz KPFTWKYWSUJFMG-ZANVPECISA-N 0 1 314.411 1.058 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094224466 193351667 /nfs/dbraw/zinc/35/16/67/193351667.db2.gz BPRYEWUKVSNTDM-KCJUWKMLSA-N 0 1 311.304 1.176 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@H](N2CCC3(CC2)OCCO3)C1 ZINC000094679971 193391505 /nfs/dbraw/zinc/39/15/05/193391505.db2.gz MFTJOHOEMLQPLZ-STQMWFEESA-N 0 1 303.424 1.181 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnccc1Cl ZINC000094459472 193371743 /nfs/dbraw/zinc/37/17/43/193371743.db2.gz YVTXNBKXXAHDQR-WDEREUQCSA-N 0 1 315.826 1.592 10 0 DDAEMN C/C=C\C(=O)Nc1cc(C)nn1-c1nc2c(cnn2C)c(=O)[nH]1 ZINC000038507279 183000799 /nfs/dbraw/zinc/00/07/99/183000799.db2.gz LSEXWKXTFQHXHS-PLNGDYQASA-N 0 1 313.321 1.078 10 0 DDAEMN Cc1cc(N)ccc1S(=O)(=O)NCCN1CCCCCC1 ZINC000040767318 183131840 /nfs/dbraw/zinc/13/18/40/183131840.db2.gz QPRSBFGHVRONIG-UHFFFAOYSA-N 0 1 311.451 1.732 10 0 DDAEMN CCCCNS(=O)(=O)c1cc(Br)c[nH]c1=NN ZINC000041069866 183162317 /nfs/dbraw/zinc/16/23/17/183162317.db2.gz BHUJQZNFZCCCLH-UHFFFAOYSA-N 0 1 323.216 1.208 10 0 DDAEMN COC(=O)Cc1c(C)nc2ccc(F)cc2c1N(C)CCO ZINC000041478295 183194042 /nfs/dbraw/zinc/19/40/42/183194042.db2.gz UAODUGILUXNIAR-UHFFFAOYSA-N 0 1 306.337 1.826 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)[N-]CCCC[NH+](C)C ZINC000041678800 183216390 /nfs/dbraw/zinc/21/63/90/183216390.db2.gz SABXLMRXNVZHFS-UHFFFAOYSA-N 0 1 311.860 1.725 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C(C)C)n2C)C[C@@H]1CC ZINC000105838607 194144260 /nfs/dbraw/zinc/14/42/60/194144260.db2.gz SCLQLWFOGWFRHN-HNNXBMFYSA-N 0 1 323.485 1.871 10 0 DDAEMN C[C@@H](C(=O)NC(C)(C)C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869508 194151266 /nfs/dbraw/zinc/15/12/66/194151266.db2.gz VMIIOLSEPYMWIT-AWEZNQCLSA-N 0 1 321.469 1.231 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CCN1CCOC ZINC000105914548 194168361 /nfs/dbraw/zinc/16/83/61/194168361.db2.gz DOFSVZNKJNZYBZ-AWEZNQCLSA-N 0 1 323.441 1.008 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCC(c2nncn2CC)CC1 ZINC000105929148 194172943 /nfs/dbraw/zinc/17/29/43/194172943.db2.gz KHGLAPKKNNUREB-ZDUSSCGKSA-N 0 1 307.442 1.734 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 ZINC000106432665 194212621 /nfs/dbraw/zinc/21/26/21/194212621.db2.gz IOGCSUNXVCWPGD-MRXNPFEDSA-N 0 1 317.433 1.273 10 0 DDAEMN COCCNCc1c(Cl)cccc1N1CCNC(=O)[C@H]1C ZINC000110662307 194348529 /nfs/dbraw/zinc/34/85/29/194348529.db2.gz AGXRPLJJCPLJBM-LLVKDONJSA-N 0 1 311.813 1.401 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)N1CCN(C)[C@@H](C)C1 ZINC000110700538 194351385 /nfs/dbraw/zinc/35/13/85/194351385.db2.gz MJYDZEMVSHLFDT-QWRGUYRKSA-N 0 1 310.829 1.885 10 0 DDAEMN O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000110795950 194359726 /nfs/dbraw/zinc/35/97/26/194359726.db2.gz LNFFZSFMEZMOIV-SECBINFHSA-N 0 1 313.195 1.884 10 0 DDAEMN CC(C)(C)S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000111071991 194388446 /nfs/dbraw/zinc/38/84/46/194388446.db2.gz MJHYYSAMLFCKNJ-LBPRGKRZSA-N 0 1 318.439 1.128 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(N)ccc1Cl ZINC000061642486 184180222 /nfs/dbraw/zinc/18/02/22/184180222.db2.gz RRBVCVXWJRBSDE-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN NS(=O)(=O)c1ccc(Cl)c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000061982750 184199964 /nfs/dbraw/zinc/19/99/64/184199964.db2.gz RQMJCTNXQKVBPJ-VIFPVBQESA-N 0 1 315.826 1.636 10 0 DDAEMN CCCNc1cc(S(=O)(=O)NCCN(C)C2CC2)ccn1 ZINC000062011824 184201256 /nfs/dbraw/zinc/20/12/56/184201256.db2.gz YSCAAOOLHZVWKT-UHFFFAOYSA-N 0 1 312.439 1.276 10 0 DDAEMN CCN(CC)[C@@H](CNS(=O)(=O)NC)c1ccc(OC)cc1 ZINC000062357712 184232255 /nfs/dbraw/zinc/23/22/55/184232255.db2.gz ZUUNTLOWGCMYIA-AWEZNQCLSA-N 0 1 315.439 1.132 10 0 DDAEMN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752816 184252727 /nfs/dbraw/zinc/25/27/27/184252727.db2.gz JHYRCHILGUUUDA-AAVRWANBSA-N 0 1 317.451 1.775 10 0 DDAEMN CCNc1nc(CSc2nnc(C)[nH]2)nc2c1cnn2C ZINC000063083989 184269923 /nfs/dbraw/zinc/26/99/23/184269923.db2.gz AHCXKBFIOIWDEH-UHFFFAOYSA-N 0 1 304.383 1.514 10 0 DDAEMN CCNc1nc(CSc2nc(C)n[nH]2)nc2c1cnn2C ZINC000063083989 184269924 /nfs/dbraw/zinc/26/99/24/184269924.db2.gz AHCXKBFIOIWDEH-UHFFFAOYSA-N 0 1 304.383 1.514 10 0 DDAEMN c1coc(CN2C[C@H]3COC[C@@]3(c3nnc(C4CC4)o3)C2)c1 ZINC000247953640 257114069 /nfs/dbraw/zinc/11/40/69/257114069.db2.gz ZBNWKQNXWSHBJN-LRDDRELGSA-N 0 1 301.346 1.940 10 0 DDAEMN COc1cccc(CN2CC[C@@H]3OCCN(CC4CC4)[C@@H]3C2)n1 ZINC000503718274 257209716 /nfs/dbraw/zinc/20/97/16/257209716.db2.gz FLZIGGFPJGPBJU-SJORKVTESA-N 0 1 317.433 1.775 10 0 DDAEMN CCOCCN1CCN(Cc2c(C)nn(C)c2OC)C[C@H]1CC ZINC000121001713 195278664 /nfs/dbraw/zinc/27/86/64/195278664.db2.gz GWHREQAJCWOPOC-OAHLLOKOSA-N 0 1 324.469 1.670 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000075981794 406948458 /nfs/dbraw/zinc/94/84/58/406948458.db2.gz XPWJIQYPQACHRX-GXTWGEPZSA-N 0 1 303.410 1.041 10 0 DDAEMN C[C@H](CNS(=O)(=O)/C=C\c1ccccc1)N1CCN(C)CC1 ZINC000096035163 407224358 /nfs/dbraw/zinc/22/43/58/407224358.db2.gz HWBNLNHBYLCAFC-JEMSNHSXSA-N 0 1 323.462 1.213 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000123552677 407331921 /nfs/dbraw/zinc/33/19/21/407331921.db2.gz NRSDADLCVSTCIM-OAHLLOKOSA-N 0 1 308.422 1.592 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000105825262 407355154 /nfs/dbraw/zinc/35/51/54/407355154.db2.gz KEVPKJKOSJPMNP-HZPDHXFCSA-N 0 1 311.470 1.166 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCCCC2)CCN1C[C@@H](C)O ZINC000105825262 407355155 /nfs/dbraw/zinc/35/51/55/407355155.db2.gz KEVPKJKOSJPMNP-HZPDHXFCSA-N 0 1 311.470 1.166 10 0 DDAEMN CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000105818150 407355851 /nfs/dbraw/zinc/35/58/51/407355851.db2.gz KXSQRJKGWHAIHJ-MRXNPFEDSA-N 0 1 321.421 1.147 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000105818150 407355852 /nfs/dbraw/zinc/35/58/52/407355852.db2.gz KXSQRJKGWHAIHJ-MRXNPFEDSA-N 0 1 321.421 1.147 10 0 DDAEMN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(Cn2cccn2)CC1 ZINC000105920162 407357883 /nfs/dbraw/zinc/35/78/83/407357883.db2.gz XHSLYCPMECVZGJ-HOCLYGCPSA-N 0 1 320.437 1.279 10 0 DDAEMN O=C(c1ccc(O)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649698 407413589 /nfs/dbraw/zinc/41/35/89/407413589.db2.gz VOSVJDVRRWTRHZ-GFCCVEGCSA-N 0 1 321.764 1.783 10 0 DDAEMN COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000111845172 407417825 /nfs/dbraw/zinc/41/78/25/407417825.db2.gz ORLQFQLGUXBWKD-DZGCQCFKSA-N 0 1 319.405 1.530 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000112548499 407432201 /nfs/dbraw/zinc/43/22/01/407432201.db2.gz LGLMPLPBYBKMLU-FZMZJTMJSA-N 0 1 311.813 1.587 10 0 DDAEMN Cc1ccoc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO ZINC000257193962 407486402 /nfs/dbraw/zinc/48/64/02/407486402.db2.gz SHAAVQBVGMTBHR-JKSUJKDBSA-N 0 1 314.385 1.811 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000113305349 407494740 /nfs/dbraw/zinc/49/47/40/407494740.db2.gz QRTSVGILKOEJEW-GXFFZTMASA-N 0 1 316.373 1.822 10 0 DDAEMN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000253542528 407458040 /nfs/dbraw/zinc/45/80/40/407458040.db2.gz UYVNBUUDKYVUGD-RYUDHWBXSA-N 0 1 312.373 1.644 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000253542528 407458048 /nfs/dbraw/zinc/45/80/48/407458048.db2.gz UYVNBUUDKYVUGD-RYUDHWBXSA-N 0 1 312.373 1.644 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000170873717 407541847 /nfs/dbraw/zinc/54/18/47/407541847.db2.gz MVGYRRXGJDLOBR-SNVBAGLBSA-N 0 1 306.790 1.804 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000131025289 407716228 /nfs/dbraw/zinc/71/62/28/407716228.db2.gz XCOZUNCSJKYBMW-YVZNUBBCSA-N 0 1 323.824 1.663 10 0 DDAEMN CC[C@H](C)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000171665400 407736085 /nfs/dbraw/zinc/73/60/85/407736085.db2.gz SIVKFDRZYOGZBY-GOEBONIOSA-N 0 1 319.449 1.580 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@H](c2cnn(C)c2)C1)C1CC1 ZINC000116320688 407743817 /nfs/dbraw/zinc/74/38/17/407743817.db2.gz FRNBKGUDTSKPNU-ZFWWWQNUSA-N 0 1 316.449 1.999 10 0 DDAEMN Cn1cc([C@@H]2CCN(Cc3cc(=O)n4ccsc4n3)C2)cn1 ZINC000116324053 407748190 /nfs/dbraw/zinc/74/81/90/407748190.db2.gz VLRJBGIDUJQJNZ-LLVKDONJSA-N 0 1 315.402 1.479 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000262275400 407781724 /nfs/dbraw/zinc/78/17/24/407781724.db2.gz KZRSMGDOWZKDFB-SWLSCSKDSA-N 0 1 308.422 1.841 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000262287146 407783566 /nfs/dbraw/zinc/78/35/66/407783566.db2.gz MLGQWIOGYLLLDY-LSDHHAIUSA-N 0 1 322.405 1.177 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000262339661 407802696 /nfs/dbraw/zinc/80/26/96/407802696.db2.gz SOVUMQQNXJQZQE-LLVKDONJSA-N 0 1 319.174 1.221 10 0 DDAEMN CCCCO[C@H](C)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262732810 407912098 /nfs/dbraw/zinc/91/20/98/407912098.db2.gz UUEMPWCMRBCFNV-PNESKVBLSA-N 0 1 300.399 1.245 10 0 DDAEMN CCc1ncc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000173530086 407884625 /nfs/dbraw/zinc/88/46/25/407884625.db2.gz OWWXBORQOSHNBH-SECBINFHSA-N 0 1 307.379 1.346 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(OC)c2)C1 ZINC000262696274 407903876 /nfs/dbraw/zinc/90/38/76/407903876.db2.gz DUIVQKNAGMOKFG-UHFFFAOYSA-N 0 1 306.362 1.363 10 0 DDAEMN Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccccc1[O-] ZINC000262788882 407930570 /nfs/dbraw/zinc/93/05/70/407930570.db2.gz KGXCVFGXDYPOEH-UHFFFAOYSA-N 0 1 301.350 1.240 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(C)nc2C)C1 ZINC000262970022 407988649 /nfs/dbraw/zinc/98/86/49/407988649.db2.gz AGMSIMOVOUHENK-UHFFFAOYSA-N 0 1 320.393 1.757 10 0 DDAEMN CCOc1ccc([C@@H](C)NC(=O)[C@H](N)COC)cc1OCC ZINC000263264223 408083019 /nfs/dbraw/zinc/08/30/19/408083019.db2.gz UOCAKVCZWDNSEV-DGCLKSJQSA-N 0 1 310.394 1.635 10 0 DDAEMN CCO[C@H]1C[C@@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478561 408150625 /nfs/dbraw/zinc/15/06/25/408150625.db2.gz FTKAISMCQSYDKQ-CVSAEHQPSA-N 0 1 310.438 1.861 10 0 DDAEMN CCO[C@H]1C[C@@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478561 408150631 /nfs/dbraw/zinc/15/06/31/408150631.db2.gz FTKAISMCQSYDKQ-CVSAEHQPSA-N 0 1 310.438 1.861 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)NCCOc1ccccc1 ZINC000246230291 408185765 /nfs/dbraw/zinc/18/57/65/408185765.db2.gz SCGFJBLFKGKCIB-INIZCTEOSA-N 0 1 317.433 1.352 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCc2ccccc2)C[C@@H]1C ZINC000246668541 408313051 /nfs/dbraw/zinc/31/30/51/408313051.db2.gz HUFQTUITMMQNBL-HOTGVXAUSA-N 0 1 304.434 1.923 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)n[nH]1 ZINC000173532328 162345756 /nfs/dbraw/zinc/34/57/56/162345756.db2.gz KDLHQFDIKAVOQR-ZDUSSCGKSA-N 0 1 304.325 1.395 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)COc2ccccc2)C[C@@H]1C ZINC000247083790 408403269 /nfs/dbraw/zinc/40/32/69/408403269.db2.gz HDVOKDGAASWCMS-DLBZAZTESA-N 0 1 322.449 1.469 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247174572 408420282 /nfs/dbraw/zinc/42/02/82/408420282.db2.gz NBOUGNIEHYNZJP-CVEARBPZSA-N 0 1 313.486 1.724 10 0 DDAEMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000247541163 408488106 /nfs/dbraw/zinc/48/81/06/408488106.db2.gz QWQCNBXHJQLIPL-RBSFLKMASA-N 0 1 304.438 1.714 10 0 DDAEMN C[C@H](NC(=O)CCc1nc[nH]n1)c1cccc(-n2ccnc2)c1 ZINC000176876115 408465508 /nfs/dbraw/zinc/46/55/08/408465508.db2.gz ILJZZFNCPMHTTB-LBPRGKRZSA-N 0 1 310.361 1.800 10 0 DDAEMN Cn1ccc(N2CCC[C@@H](N[C@H](CO)c3ccccc3)C2=O)n1 ZINC000183668420 408466458 /nfs/dbraw/zinc/46/64/58/408466458.db2.gz AAGFAAICWXWRGA-HUUCEWRRSA-N 0 1 314.389 1.239 10 0 DDAEMN CC(C)CCOCCNC(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248370778 408553567 /nfs/dbraw/zinc/55/35/67/408553567.db2.gz XYDMSYPUORPYOC-INIZCTEOSA-N 0 1 311.470 1.335 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000184137462 408555928 /nfs/dbraw/zinc/55/59/28/408555928.db2.gz SVXRMTOTLVASLE-CYBMUJFWSA-N 0 1 300.399 1.600 10 0 DDAEMN CCO[C@@H]1C[C@H](NC(=O)C[N@@H+](CC)C2CC2)C12CCOCC2 ZINC000248630094 408603251 /nfs/dbraw/zinc/60/32/51/408603251.db2.gz GWGCXEBYEHNCEL-LSDHHAIUSA-N 0 1 310.438 1.561 10 0 DDAEMN CCO[C@@H]1C[C@H](NC(=O)CN(CC)C2CC2)C12CCOCC2 ZINC000248630094 408603255 /nfs/dbraw/zinc/60/32/55/408603255.db2.gz GWGCXEBYEHNCEL-LSDHHAIUSA-N 0 1 310.438 1.561 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)c3nc(C)cc(=O)[nH]3)CCO2)n[nH]1 ZINC000248791323 408634318 /nfs/dbraw/zinc/63/43/18/408634318.db2.gz XNXZNASCBRIENV-MWLCHTKSSA-N 0 1 304.354 1.052 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)c3nc(C)cc(=O)[nH]3)CCO2)n[nH]1 ZINC000248791320 408636282 /nfs/dbraw/zinc/63/62/82/408636282.db2.gz XNXZNASCBRIENV-GXSJLCMTSA-N 0 1 304.354 1.052 10 0 DDAEMN CCOCCONC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000184766649 408685189 /nfs/dbraw/zinc/68/51/89/408685189.db2.gz TWLFZGHCWOCLSZ-ZFWWWQNUSA-N 0 1 324.352 1.429 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3c(C)noc3CC)CCO2)n[nH]1 ZINC000187400646 163017285 /nfs/dbraw/zinc/01/72/85/163017285.db2.gz NDZTUMLFFWJXMX-NSHDSACASA-N 0 1 319.365 1.440 10 0 DDAEMN Cc1cnc([C@H](C)NC[C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000230642147 163348218 /nfs/dbraw/zinc/34/82/18/163348218.db2.gz IQAMYUMTGMXAJW-RYUDHWBXSA-N 0 1 301.412 1.305 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000262264369 163796067 /nfs/dbraw/zinc/79/60/67/163796067.db2.gz JSMPZAUMXUBACT-SKDRFNHKSA-N 0 1 315.211 1.470 10 0 DDAEMN O=C(C[C@H]1COCCN1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262303976 163802562 /nfs/dbraw/zinc/80/25/62/163802562.db2.gz BCDGOSHYQZTNLI-STQMWFEESA-N 0 1 320.393 1.032 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@H]1CNCCO1)c1cccc(Cl)c1 ZINC000313371893 409808022 /nfs/dbraw/zinc/80/80/22/409808022.db2.gz PYHUCHNMUWACSX-ZWNOBZJWSA-N 0 1 318.826 1.309 10 0 DDAEMN CCc1nc([C@@H]2CN(c3cc(C)nc(COC)n3)CCO2)n[nH]1 ZINC000131685428 196191203 /nfs/dbraw/zinc/19/12/03/196191203.db2.gz LOUJZJVFNFLLSL-NSHDSACASA-N 0 1 318.381 1.190 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC=CCC2)[N@@H+]1Cc1ccccc1 ZINC000630662712 422248982 /nfs/dbraw/zinc/24/89/82/422248982.db2.gz FUCMDACBMONOTH-CVEARBPZSA-N 0 1 314.385 1.893 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC=CCC2)[N@H+]1Cc1ccccc1 ZINC000630662712 422248985 /nfs/dbraw/zinc/24/89/85/422248985.db2.gz FUCMDACBMONOTH-CVEARBPZSA-N 0 1 314.385 1.893 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCO[C@@H](c2nnc[nH]2)C1 ZINC000616597483 422513204 /nfs/dbraw/zinc/51/32/04/422513204.db2.gz GDWUYYFPHXHXJX-LLVKDONJSA-N 0 1 311.386 1.093 10 0 DDAEMN CCO[C@H]1C[C@H](N(C)CC(=O)N2CCNC2=O)C12CCCC2 ZINC000121216069 276364255 /nfs/dbraw/zinc/36/42/55/276364255.db2.gz PVIOAKDVGBMFEQ-STQMWFEESA-N 0 1 309.410 1.208 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000247211173 278159939 /nfs/dbraw/zinc/15/99/39/278159939.db2.gz VEYZXVYXNZRYAD-RHSMWYFYSA-N 0 1 321.465 1.182 10 0 DDAEMN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(O)c1Br ZINC000315452983 279028357 /nfs/dbraw/zinc/02/83/57/279028357.db2.gz QYUNXZFOGLREET-WCBMZHEXSA-N 0 1 313.195 1.911 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000118856732 280208505 /nfs/dbraw/zinc/20/85/05/280208505.db2.gz OSIRTTKMAOUSHR-HZPDHXFCSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1cc(C)cc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000105933114 281051801 /nfs/dbraw/zinc/05/18/01/281051801.db2.gz PWZCWYUWDASMEG-GDBMZVCRSA-N 0 1 305.422 1.551 10 0 DDAEMN CCCn1cc(CN2CCO[C@@H](c3n[nH]c(CC)n3)C2)cn1 ZINC000129200529 281336200 /nfs/dbraw/zinc/33/62/00/281336200.db2.gz KBCBIHYXTGMFIP-CYBMUJFWSA-N 0 1 304.398 1.547 10 0 DDAEMN Cc1ncc(/C=C/C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)s1 ZINC000246790579 282015729 /nfs/dbraw/zinc/01/57/29/282015729.db2.gz QOOBAFLAQQVEMD-RVAOTSRCSA-N 0 1 309.435 1.378 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000173236904 298254165 /nfs/dbraw/zinc/25/41/65/298254165.db2.gz DBPYZIVYDTXWOB-QWHCGFSZSA-N 0 1 309.414 1.212 10 0 DDAEMN COCCN1C[C@@H](c2nc(C)c(-c3cnn(C)c3)[nH]2)CC1=O ZINC000020541088 337331059 /nfs/dbraw/zinc/33/10/59/337331059.db2.gz OPXGPOJPYZPWNX-NSHDSACASA-N 0 1 303.366 1.081 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(N)cc1F ZINC000251664979 484247279 /nfs/dbraw/zinc/24/72/79/484247279.db2.gz HAZVJCOWWUPJDE-PWSUYJOCSA-N 0 1 313.398 1.265 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000381809536 490777672 /nfs/dbraw/zinc/77/76/72/490777672.db2.gz CKFPIORPMMCZSZ-KBMXLJTQSA-N 0 1 307.390 1.607 10 0 DDAEMN O=S1(=O)CC[C@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000037873824 696134274 /nfs/dbraw/zinc/13/42/74/696134274.db2.gz VSZKSHVINJZCNZ-RYUDHWBXSA-N 0 1 323.336 1.516 10 0 DDAEMN CCCn1cc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cn1 ZINC000177120625 697409599 /nfs/dbraw/zinc/40/95/99/697409599.db2.gz NWKJFLPPGNYVPC-GFCCVEGCSA-N 0 1 319.369 1.325 10 0 DDAEMN CC[C@H]1CN(Cn2cc([N+](=O)[O-])c(C)n2)CCN1CCOC ZINC000183337226 697487344 /nfs/dbraw/zinc/48/73/44/697487344.db2.gz CUZXHFBNLDPYEY-ZDUSSCGKSA-N 0 1 311.386 1.100 10 0 DDAEMN Cc1ncsc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262724691 698478903 /nfs/dbraw/zinc/47/89/03/698478903.db2.gz RVPRXDGBKONUNX-UHFFFAOYSA-N 0 1 323.418 1.509 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC000262737137 698479044 /nfs/dbraw/zinc/47/90/44/698479044.db2.gz VQTJAUCNPWRKTI-QGLTVNCISA-N 0 1 322.380 1.983 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(C)cn2)C1 ZINC000262989489 698486838 /nfs/dbraw/zinc/48/68/38/698486838.db2.gz DGEITEPWPPIWDH-UHFFFAOYSA-N 0 1 306.366 1.449 10 0 DDAEMN CN(C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263451072 698507512 /nfs/dbraw/zinc/50/75/12/698507512.db2.gz AOWSWSYAHOSVIK-UHFFFAOYSA-N 0 1 323.437 1.898 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC000707406807 699246605 /nfs/dbraw/zinc/24/66/05/699246605.db2.gz USWJMEPEFLDMRT-NSHDSACASA-N 0 1 300.424 1.185 10 0 DDAEMN O=C(c1cc(Cl)ncc1Cl)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720620101 699306526 /nfs/dbraw/zinc/30/65/26/699306526.db2.gz WNXQBDMCODQBNP-MRVPVSSYSA-N 0 1 313.148 1.879 10 0 DDAEMN Cc1[nH]nc(-c2ccco2)c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000074666558 185006819 /nfs/dbraw/zinc/00/68/19/185006819.db2.gz GNJWWKAISSFNIN-JTQLQIEISA-N 0 1 323.374 1.237 10 0 DDAEMN Cc1oncc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000074667656 185007437 /nfs/dbraw/zinc/00/74/37/185007437.db2.gz AXBNSNGQQNKMEP-UHFFFAOYSA-N 0 1 300.362 1.987 10 0 DDAEMN CN[C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CCOC ZINC000081943182 192344018 /nfs/dbraw/zinc/34/40/18/192344018.db2.gz VDBLEUVBOUSBNI-HUUCEWRRSA-N 0 1 313.419 1.332 10 0 DDAEMN Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc2nc[nH]c2c1 ZINC000082351508 185176972 /nfs/dbraw/zinc/17/69/72/185176972.db2.gz MKNPNFIDRKNVIB-UHFFFAOYSA-N 0 1 305.363 1.728 10 0 DDAEMN O=S1(=O)CCCN1CCN1CCC[C@H](c2nccs2)C1 ZINC000328667800 231298795 /nfs/dbraw/zinc/29/87/95/231298795.db2.gz LAKYJVSMUCWJES-LBPRGKRZSA-N 0 1 315.464 1.358 10 0 DDAEMN Nc1cc(Cl)ccc1S(=O)(=O)NCCc1cnc[nH]1 ZINC000087537983 185227953 /nfs/dbraw/zinc/22/79/53/185227953.db2.gz VFLZOJWNPCWNKT-UHFFFAOYSA-N 0 1 300.771 1.166 10 0 DDAEMN O[C@H](Cc1ccc(I)cc1)c1c[nH]nn1 ZINC000087599504 185229056 /nfs/dbraw/zinc/22/90/56/185229056.db2.gz JIFBZEPBFQQGPB-SNVBAGLBSA-N 0 1 315.114 1.685 10 0 DDAEMN C[NH+]1CCN([C@@H](C(=O)[O-])c2cc(Br)cs2)CC1 ZINC000088045456 185237959 /nfs/dbraw/zinc/23/79/59/185237959.db2.gz YSQCEAXSKQJXJW-SNVBAGLBSA-N 0 1 319.224 1.884 10 0 DDAEMN O=C1CNCCCN1Cc1ccc(F)c(Br)c1 ZINC000087882071 185234371 /nfs/dbraw/zinc/23/43/71/185234371.db2.gz PCLGWMGMYNIUDT-UHFFFAOYSA-N 0 1 301.159 1.910 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000081977031 192348024 /nfs/dbraw/zinc/34/80/24/192348024.db2.gz RNTJHAYZJVGYGT-CQSZACIVSA-N 0 1 313.419 1.788 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(CC)[C@H](C)COC)o1 ZINC000088544089 185256663 /nfs/dbraw/zinc/25/66/63/185256663.db2.gz NJFKFHZWVYQEHU-LLVKDONJSA-N 0 1 304.412 1.435 10 0 DDAEMN CN(C(=O)c1sc2nccnc2c1N)[C@@H]1CCCN(C)C1 ZINC000088643123 185261143 /nfs/dbraw/zinc/26/11/43/185261143.db2.gz IKGWMYOYZIOTAM-SECBINFHSA-N 0 1 305.407 1.440 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccn(C)c3C)CCO2)n[nH]1 ZINC000195286763 539263546 /nfs/dbraw/zinc/26/35/46/539263546.db2.gz ZPUKIESNZKITSV-GFCCVEGCSA-N 0 1 303.366 1.228 10 0 DDAEMN Cc1noc(C)c1CNS(=O)(=O)c1ccsc1CN ZINC000092344191 185313342 /nfs/dbraw/zinc/31/33/42/185313342.db2.gz AAFOLMYRROXUHC-UHFFFAOYSA-N 0 1 301.393 1.290 10 0 DDAEMN COCCNCC(=O)Nc1c(F)cc(Br)cc1F ZINC000092510538 185323196 /nfs/dbraw/zinc/32/31/96/185323196.db2.gz PVQPZIGRDUEPNM-UHFFFAOYSA-N 0 1 323.137 1.902 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000092622347 185329844 /nfs/dbraw/zinc/32/98/44/185329844.db2.gz UVUKEBSATJZMOK-JTQLQIEISA-N 0 1 317.842 1.637 10 0 DDAEMN Cc1n[nH]c(CN)c1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833178 185344959 /nfs/dbraw/zinc/34/49/59/185344959.db2.gz XSBCKDSJVBHIMP-UHFFFAOYSA-N 0 1 300.428 1.137 10 0 DDAEMN COC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000616627142 362763711 /nfs/dbraw/zinc/76/37/11/362763711.db2.gz DWSPHYGOBHIJRO-LBPRGKRZSA-N 0 1 300.399 1.786 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2cccnc2N)C1 ZINC000616652174 362770341 /nfs/dbraw/zinc/77/03/41/362770341.db2.gz CEDDAHNZKIDRHP-CYBMUJFWSA-N 0 1 321.425 1.135 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)c1cc(N)ccc1Br ZINC000080510954 192163881 /nfs/dbraw/zinc/16/38/81/192163881.db2.gz PKMVRRVMUPRSRN-UHFFFAOYSA-N 0 1 310.155 1.422 10 0 DDAEMN O=S(=O)(c1ccccc1NCCCc1nc[nH]n1)C(F)F ZINC000080588289 192170750 /nfs/dbraw/zinc/17/07/50/192170750.db2.gz ANPUMYXMYHIGDG-UHFFFAOYSA-N 0 1 316.333 1.846 10 0 DDAEMN C[C@H](NCc1ccc(I)cc1)C(N)=O ZINC000083849199 192386199 /nfs/dbraw/zinc/38/61/99/192386199.db2.gz QWORKDYIWNLVGD-ZETCQYMHSA-N 0 1 304.131 1.255 10 0 DDAEMN CN[C@H](C[S@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035726 192396320 /nfs/dbraw/zinc/39/63/20/192396320.db2.gz FFKAWGBIYDKVNF-XCLFUZPHSA-N 0 1 301.408 1.359 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2ccccn2)CCN1CCOC ZINC000172320745 198079440 /nfs/dbraw/zinc/07/94/40/198079440.db2.gz GERJLTBXYPUSDA-MRXNPFEDSA-N 0 1 320.437 1.376 10 0 DDAEMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](OCCO)C1)c1ccccc1 ZINC000172293239 198073098 /nfs/dbraw/zinc/07/30/98/198073098.db2.gz AWUGOKPXLMARFM-ZOBUZTSGSA-N 0 1 320.433 1.726 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(Cl)nc3)CCO2)n[nH]1 ZINC000173608195 198231335 /nfs/dbraw/zinc/23/13/35/198231335.db2.gz RQQQKHXAQRMXRA-JTQLQIEISA-N 0 1 321.768 1.629 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@H]1C ZINC000174301140 198317163 /nfs/dbraw/zinc/31/71/63/198317163.db2.gz CVCCIHRSZIXAEX-ZIAGYGMSSA-N 0 1 308.397 1.672 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH]1 ZINC000174408458 198331350 /nfs/dbraw/zinc/33/13/50/198331350.db2.gz UYZFOGNFBDKDQW-NXEZZACHSA-N 0 1 309.370 1.745 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(C(=O)CSc3nnc(C)[nH]3)C2)c1 ZINC000174661561 198366476 /nfs/dbraw/zinc/36/64/76/198366476.db2.gz OXBLYHDZWSJQBW-GFCCVEGCSA-N 0 1 320.422 1.574 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(C(=O)CSc3nc(C)n[nH]3)C2)c1 ZINC000174661561 198366477 /nfs/dbraw/zinc/36/64/77/198366477.db2.gz OXBLYHDZWSJQBW-GFCCVEGCSA-N 0 1 320.422 1.574 10 0 DDAEMN CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]ncc2N)CC1 ZINC000114912024 353983697 /nfs/dbraw/zinc/98/36/97/353983697.db2.gz SZYLRMFIDGDHTM-UHFFFAOYSA-N 0 1 309.370 1.121 10 0 DDAEMN C[C@@H]1CCCN(c2nc[nH]c(=O)c2I)C1 ZINC000162143674 354245173 /nfs/dbraw/zinc/24/51/73/354245173.db2.gz MPPZXDQGDRPARE-SSDOTTSWSA-N 0 1 319.146 1.611 10 0 DDAEMN CC(C)c1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)n[nH]1 ZINC000328634803 354555443 /nfs/dbraw/zinc/55/54/43/354555443.db2.gz UGHGSZZEPLICGV-ZDUSSCGKSA-N 0 1 302.382 1.385 10 0 DDAEMN Cc1cncc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000074834517 191368390 /nfs/dbraw/zinc/36/83/90/191368390.db2.gz NZCFNTMCGVGHCI-UHFFFAOYSA-N 0 1 304.331 1.360 10 0 DDAEMN C[C@@H](NC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1)c1nccs1 ZINC000080319348 192024239 /nfs/dbraw/zinc/02/42/39/192024239.db2.gz WCXJFXKPTHQKDF-SNVBAGLBSA-N 0 1 312.395 1.006 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(N)cc(F)c1F ZINC000086583025 192583470 /nfs/dbraw/zinc/58/34/70/192583470.db2.gz NRXXDMQZSGYRKG-SNVBAGLBSA-N 0 1 319.377 1.262 10 0 DDAEMN CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1c(C)oc(C)c1CN ZINC000088990961 192684809 /nfs/dbraw/zinc/68/48/09/192684809.db2.gz BHYBTZDKOXYUFJ-CABZTGNLSA-N 0 1 316.423 1.543 10 0 DDAEMN CN(Cc1cnc[nH]1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000179527744 199050542 /nfs/dbraw/zinc/05/05/42/199050542.db2.gz IRDRKYYTVSQQSG-AWEZNQCLSA-N 0 1 306.435 1.977 10 0 DDAEMN O=C(c1nc(Br)cs1)N1CCN2CCC[C@H]2C1 ZINC000188849007 200312051 /nfs/dbraw/zinc/31/20/51/200312051.db2.gz QERDRSMPJXRHAJ-QMMMGPOBSA-N 0 1 316.224 1.826 10 0 DDAEMN CC(C)N[C@](CSC[C@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258885 193027701 /nfs/dbraw/zinc/02/77/01/193027701.db2.gz DLQHBHLOYLFSDH-CJNGLKHVSA-N 0 1 310.463 1.727 10 0 DDAEMN CNCc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)ccc1F ZINC000092113776 193161149 /nfs/dbraw/zinc/16/11/49/193161149.db2.gz RRHQLSCMGNXDGW-QWRGUYRKSA-N 0 1 300.399 1.822 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(CO)cc1F ZINC000092115359 193163371 /nfs/dbraw/zinc/16/33/71/193163371.db2.gz SSLWAYNBMDXMAU-GFCCVEGCSA-N 0 1 316.398 1.033 10 0 DDAEMN CCc1[nH]nc(C(=O)N(CC)C[C@H](C)CC)c1S(N)(=O)=O ZINC000093265550 193222965 /nfs/dbraw/zinc/22/29/65/193222965.db2.gz DPESZVJYKQRMHD-SECBINFHSA-N 0 1 316.427 1.128 10 0 DDAEMN C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000093288954 193225343 /nfs/dbraw/zinc/22/53/43/193225343.db2.gz RGJGKHJJADUVRU-GWCFXTLKSA-N 0 1 304.419 1.575 10 0 DDAEMN CCCc1cc(=O)[nH]c(S[C@H]2CC[C@@](N)(C(=O)OC)C2)n1 ZINC000093850444 193317693 /nfs/dbraw/zinc/31/76/93/193317693.db2.gz ITXXVZWHMOBGQS-HZMBPMFUSA-N 0 1 311.407 1.238 10 0 DDAEMN N[C@@H](c1ccccc1OC(F)(F)F)[C@@H]1CN2CCN1CC2 ZINC000094508412 193375380 /nfs/dbraw/zinc/37/53/80/193375380.db2.gz CIWGMFVTVYUSHZ-AAEUAGOBSA-N 0 1 301.312 1.585 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(N)c(F)cc1C ZINC000094779595 193397336 /nfs/dbraw/zinc/39/73/36/193397336.db2.gz AFXCGZMXZBWRDT-UHFFFAOYSA-N 0 1 317.430 1.679 10 0 DDAEMN Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019794202 182149843 /nfs/dbraw/zinc/14/98/43/182149843.db2.gz NTCUGZDQBSVACJ-UHFFFAOYSA-N 0 1 315.373 1.282 10 0 DDAEMN Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019794202 182149846 /nfs/dbraw/zinc/14/98/46/182149846.db2.gz NTCUGZDQBSVACJ-UHFFFAOYSA-N 0 1 315.373 1.282 10 0 DDAEMN C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CCNCC1 ZINC000020567363 182233037 /nfs/dbraw/zinc/23/30/37/182233037.db2.gz VDRJJKMUWXQODO-SNVBAGLBSA-N 0 1 302.296 1.905 10 0 DDAEMN O=C([O-])CN(C(=O)[C@H]1CSC[NH2+]1)c1cccc(Cl)c1 ZINC000040484571 183078034 /nfs/dbraw/zinc/07/80/34/183078034.db2.gz JCIHACWMXMWJNI-SNVBAGLBSA-N 0 1 300.767 1.420 10 0 DDAEMN CC1CCN(CCNS(=O)(=O)c2ccnc(Cl)c2)CC1 ZINC000040772480 183131577 /nfs/dbraw/zinc/13/15/77/183131577.db2.gz ICHSIWUMUGBSBZ-UHFFFAOYSA-N 0 1 317.842 1.745 10 0 DDAEMN CC(C)CCCCCCNC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000040830306 183139228 /nfs/dbraw/zinc/13/92/28/183139228.db2.gz AUJIVTAKHGPJAH-ZDUSSCGKSA-N 0 1 306.472 1.471 10 0 DDAEMN CCOc1ccc(Br)cc1[C@@H](N)COCC(N)=O ZINC000041072189 183163419 /nfs/dbraw/zinc/16/34/19/183163419.db2.gz LFRYEACWKWEASU-JTQLQIEISA-N 0 1 317.183 1.350 10 0 DDAEMN C[C@H](C(=O)N1CCNCC1)N(C)Cc1ccc(Cl)s1 ZINC000043403628 183358729 /nfs/dbraw/zinc/35/87/29/183358729.db2.gz XXGLJKNBBBUMLL-SNVBAGLBSA-N 0 1 301.843 1.654 10 0 DDAEMN Cc1ccc(OCC(=O)N2CCNCC2)c(Br)c1 ZINC000043404075 183358982 /nfs/dbraw/zinc/35/89/82/183358982.db2.gz JPPCFSAAPQHLTO-UHFFFAOYSA-N 0 1 313.195 1.568 10 0 DDAEMN Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000043585189 183373890 /nfs/dbraw/zinc/37/38/90/183373890.db2.gz ODTDGCAHZGYLNL-LLVKDONJSA-N 0 1 311.407 1.967 10 0 DDAEMN Cc1csc(NC(=O)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000043585189 183373891 /nfs/dbraw/zinc/37/38/91/183373891.db2.gz ODTDGCAHZGYLNL-LLVKDONJSA-N 0 1 311.407 1.967 10 0 DDAEMN Cc1nc(N2CC[C@@](O)(c3c[nH]nn3)C2)ccc1Br ZINC000284463824 218036773 /nfs/dbraw/zinc/03/67/73/218036773.db2.gz HTCOAMKHMZODDU-LBPRGKRZSA-N 0 1 324.182 1.369 10 0 DDAEMN CN(C)c1ncccc1CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105125958 194076085 /nfs/dbraw/zinc/07/60/85/194076085.db2.gz OXULFMSTKAZYBY-HNNXBMFYSA-N 0 1 317.437 1.527 10 0 DDAEMN CCn1cc(CN2CCCN(C(=O)c3cc(C)[nH]n3)CC2)cn1 ZINC000105830702 194140892 /nfs/dbraw/zinc/14/08/92/194140892.db2.gz AVTLARRVXRVXQE-UHFFFAOYSA-N 0 1 316.409 1.283 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C(C)C)n2C)C[C@H]1CC ZINC000105838605 194144389 /nfs/dbraw/zinc/14/43/89/194144389.db2.gz SCLQLWFOGWFRHN-OAHLLOKOSA-N 0 1 323.485 1.871 10 0 DDAEMN c1ncn([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000105899163 194164248 /nfs/dbraw/zinc/16/42/48/194164248.db2.gz YHOBKMQSACKSJV-AWEZNQCLSA-N 0 1 300.362 1.886 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CCN1CCOC ZINC000105914543 194168174 /nfs/dbraw/zinc/16/81/74/194168174.db2.gz DOFSVZNKJNZYBZ-CQSZACIVSA-N 0 1 323.441 1.008 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932902 194173563 /nfs/dbraw/zinc/17/35/63/194173563.db2.gz FRIBTISCGBOFFW-GOEBONIOSA-N 0 1 317.433 1.275 10 0 DDAEMN CCCOCCC(=O)N1CCN([C@H](CCC)C(N)=S)CC1 ZINC000109464681 194266112 /nfs/dbraw/zinc/26/61/12/194266112.db2.gz DAQOZKBCWPUMFH-CYBMUJFWSA-N 0 1 315.483 1.402 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)Oc2ccccc2)CC1 ZINC000109466539 194267319 /nfs/dbraw/zinc/26/73/19/194267319.db2.gz RBSBKGAIUOXSKD-ZDUSSCGKSA-N 0 1 307.419 1.868 10 0 DDAEMN CN1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)CC1(C)C ZINC000110753326 194356780 /nfs/dbraw/zinc/35/67/80/194356780.db2.gz CIDNZVHLBLNWBF-ZDUSSCGKSA-N 0 1 305.447 1.609 10 0 DDAEMN C[C@@H](C(=O)Nc1cc(Cl)ccc1N)N1CCN(C)[C@@H](C)C1 ZINC000110700110 194352339 /nfs/dbraw/zinc/35/23/39/194352339.db2.gz HLKQOTZKMQVGHD-QWRGUYRKSA-N 0 1 310.829 1.885 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1C ZINC000061642513 184180397 /nfs/dbraw/zinc/18/03/97/184180397.db2.gz VCPKFDXGBKRJQV-CQSZACIVSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000061644662 184180487 /nfs/dbraw/zinc/18/04/87/184180487.db2.gz DOUYSSSKTXDKPT-SECBINFHSA-N 0 1 323.871 1.820 10 0 DDAEMN CCNS(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000062370558 184233516 /nfs/dbraw/zinc/23/35/16/184233516.db2.gz UKTYLDYJOYQASC-CQSZACIVSA-N 0 1 315.414 1.407 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)N[C@@H](C)COC)C1 ZINC000062877919 184258080 /nfs/dbraw/zinc/25/80/80/184258080.db2.gz QWIAYLCUADNQBW-WFASDCNBSA-N 0 1 300.399 1.104 10 0 DDAEMN O=S1(=O)CC[C@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000062653164 184246454 /nfs/dbraw/zinc/24/64/54/184246454.db2.gz WASLKTRGZYGVCH-LBPRGKRZSA-N 0 1 307.375 1.056 10 0 DDAEMN O=C([O-])c1cc(F)c(NCCC[NH+]2CCOCC2)c(F)c1 ZINC000063004632 184265914 /nfs/dbraw/zinc/26/59/14/184265914.db2.gz ORVQDTPLMNFVGB-UHFFFAOYSA-N 0 1 300.305 1.797 10 0 DDAEMN COc1coc(CN2CCCC[C@@H]2c2n[nH]c(C)n2)cc1=O ZINC000328681728 533160635 /nfs/dbraw/zinc/16/06/35/533160635.db2.gz OIRCUTFXXGHJFP-GFCCVEGCSA-N 0 1 304.350 1.802 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)CCc3ccnn3C)CC2)CCO1 ZINC000120503626 195179517 /nfs/dbraw/zinc/17/95/17/195179517.db2.gz ICLKASGAQUTDFW-CQSZACIVSA-N 0 1 320.437 1.064 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)o1 ZINC000120758832 195231236 /nfs/dbraw/zinc/23/12/36/195231236.db2.gz WMCMQQPZFMMXAO-KGLIPLIRSA-N 0 1 324.421 1.733 10 0 DDAEMN Cc1nnc(C[C@@H]2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3O2)o1 ZINC000248028769 257110718 /nfs/dbraw/zinc/11/07/18/257110718.db2.gz OTGORWCLDPPAOK-SNPRPXQTSA-N 0 1 300.362 1.605 10 0 DDAEMN CNC(=O)C[C@@H]1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 ZINC000247941397 257114102 /nfs/dbraw/zinc/11/41/02/257114102.db2.gz IMRSBNYSLNUVOL-WWGRRREGSA-N 0 1 318.373 1.141 10 0 DDAEMN COC[C@@H]1CNC(=O)[C@H]2CCN(Cc3nccs3)CC[C@@H]12 ZINC000247889820 257114780 /nfs/dbraw/zinc/11/47/80/257114780.db2.gz SULNIXQVBNTNBM-AVGNSLFASA-N 0 1 309.435 1.364 10 0 DDAEMN COCCN1CCO[C@@H]2CCN(Cc3ccccc3F)C[C@H]21 ZINC000247889795 257115527 /nfs/dbraw/zinc/11/55/27/257115527.db2.gz STURVVQIZJEIKM-IAGOWNOFSA-N 0 1 308.397 1.747 10 0 DDAEMN Cc1nccn1C[C@H]1CCCN1CCCS(=O)(=O)C(C)C ZINC000121677517 195328716 /nfs/dbraw/zinc/32/87/16/195328716.db2.gz YFNBFDOVIJOFSJ-OAHLLOKOSA-N 0 1 313.467 1.869 10 0 DDAEMN COc1ccc(OC)c2c1[nH+]cc(C(=O)[O-])c2N1CCOCC1 ZINC000032500201 286345665 /nfs/dbraw/zinc/34/56/65/286345665.db2.gz RSJGTQDDVSGZMU-UHFFFAOYSA-N 0 1 318.329 1.787 10 0 DDAEMN COc1ccc(CN[C@@H]2CCCNC2=O)cc1OC(F)F ZINC000050393820 407129843 /nfs/dbraw/zinc/12/98/43/407129843.db2.gz LRBJTKMITZFMOK-SNVBAGLBSA-N 0 1 300.305 1.665 10 0 DDAEMN Cn1cc(CCCNS(=O)(=O)c2c(F)cccc2F)cn1 ZINC000102662069 407325380 /nfs/dbraw/zinc/32/53/80/407325380.db2.gz DMVGBRGUIFNEJO-UHFFFAOYSA-N 0 1 315.345 1.609 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886855 407357651 /nfs/dbraw/zinc/35/76/51/407357651.db2.gz MZESSBWIQNRETL-OAHLLOKOSA-N 0 1 322.453 1.526 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)c1 ZINC000108867995 407391635 /nfs/dbraw/zinc/39/16/35/407391635.db2.gz NXLOZTITKPFBSD-CQSZACIVSA-N 0 1 312.377 1.365 10 0 DDAEMN Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000170873606 407542557 /nfs/dbraw/zinc/54/25/57/407542557.db2.gz AEPLWMGHGKDYDU-LBPRGKRZSA-N 0 1 302.827 1.973 10 0 DDAEMN Cc1cnc(CNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)s1 ZINC000186316669 407633856 /nfs/dbraw/zinc/63/38/56/407633856.db2.gz SIKODDZMLBKKJM-GHMZBOCLSA-N 0 1 312.439 1.048 10 0 DDAEMN Cc1nc(CN2CCCN(Cc3cccc(O)c3)CC2)no1 ZINC000179212415 407755248 /nfs/dbraw/zinc/75/52/48/407755248.db2.gz IXFKTCRAHAHPJW-UHFFFAOYSA-N 0 1 302.378 1.792 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000236727439 407760429 /nfs/dbraw/zinc/76/04/29/407760429.db2.gz CPCFRSMNKZDYSS-GOEBONIOSA-N 0 1 303.406 1.594 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000262206479 407767090 /nfs/dbraw/zinc/76/70/90/407767090.db2.gz DNZDMFHZYCYQDR-BONVTDFDSA-N 0 1 320.368 1.471 10 0 DDAEMN COC[C@H](N)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238026 407771604 /nfs/dbraw/zinc/77/16/04/407771604.db2.gz HNBPWPNCRMONRX-STQMWFEESA-N 0 1 316.760 1.353 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2ccncc2)C[C@@H]1CC ZINC000116769948 407771831 /nfs/dbraw/zinc/77/18/31/407771831.db2.gz XQQRMKSGXZYPNA-KRWDZBQOSA-N 0 1 319.449 1.974 10 0 DDAEMN CCc1nnc(CSc2nc(-c3ccccn3)n[nH]2)n1C ZINC000117114374 407812900 /nfs/dbraw/zinc/81/29/00/407812900.db2.gz WPULHBAJDDGCJE-UHFFFAOYSA-N 0 1 301.379 1.850 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000262369631 407814414 /nfs/dbraw/zinc/81/44/14/407814414.db2.gz WNRQJHUKJZQJBP-GXFFZTMASA-N 0 1 306.362 1.901 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000180119956 407856856 /nfs/dbraw/zinc/85/68/56/407856856.db2.gz MLDOWVTWEZVUSJ-OAHLLOKOSA-N 0 1 318.425 1.545 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000262577146 407871067 /nfs/dbraw/zinc/87/10/67/407871067.db2.gz TYOFAFSEFQRQTM-OAHLLOKOSA-N 0 1 319.405 1.154 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccccc2N)CCN1CCOC ZINC000262837392 407952020 /nfs/dbraw/zinc/95/20/20/407952020.db2.gz IMWHZIUVFGXCSV-INIZCTEOSA-N 0 1 319.449 1.771 10 0 DDAEMN CCc1ccc(NC(=O)CN2CCN(C[C@H](O)CC)CC2)cc1 ZINC000118859334 407957358 /nfs/dbraw/zinc/95/73/58/407957358.db2.gz NMQQMNQUSGTMMN-QGZVFWFLSA-N 0 1 319.449 1.576 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000262866625 407958906 /nfs/dbraw/zinc/95/89/06/407958906.db2.gz CDLMJEQOUDZNNX-UHFFFAOYSA-N 0 1 319.405 1.496 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCc2ccccn2)CCN1C[C@@H](C)O ZINC000174624752 407970854 /nfs/dbraw/zinc/97/08/54/407970854.db2.gz WFOQNAVDWCSTGZ-NVXWUHKLSA-N 0 1 319.449 1.708 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000174078929 407914911 /nfs/dbraw/zinc/91/49/11/407914911.db2.gz VZFLQWFFXUEMDE-OAHLLOKOSA-N 0 1 324.396 1.501 10 0 DDAEMN Cc1ccc(N2CCCN(Cc3cnc(N)s3)CC2)nn1 ZINC000263118137 408029666 /nfs/dbraw/zinc/02/96/66/408029666.db2.gz GGSHVZHTJQRSCY-UHFFFAOYSA-N 0 1 304.423 1.536 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000189588099 408059486 /nfs/dbraw/zinc/05/94/86/408059486.db2.gz RHAAAHYLAIXQJZ-OAHLLOKOSA-N 0 1 324.446 1.130 10 0 DDAEMN C[C@H](C(=O)[O-])[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000263349834 408114670 /nfs/dbraw/zinc/11/46/70/408114670.db2.gz PBWUUITZQXHSAB-LLVKDONJSA-N 0 1 316.357 1.610 10 0 DDAEMN CCOCCN1CCN(c2ccc(C(=O)OCC)cn2)C[C@H]1C ZINC000246123812 408147085 /nfs/dbraw/zinc/14/70/85/408147085.db2.gz JDXUUGRJEDQBPL-CQSZACIVSA-N 0 1 321.421 1.805 10 0 DDAEMN CCOc1cc(CNC2CC([N@@H+](CC)CC(=O)[O-])C2)ccc1O ZINC000263470598 408149142 /nfs/dbraw/zinc/14/91/42/408149142.db2.gz DMCQIYVLTRBVAE-UHFFFAOYSA-N 0 1 322.405 1.818 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCc3ccccc32)C1 ZINC000263492483 408153982 /nfs/dbraw/zinc/15/39/82/408153982.db2.gz RPRRHMUOLAHOKZ-UHFFFAOYSA-N 0 1 317.389 1.696 10 0 DDAEMN CC[C@H]1CC[C@@H](C)N1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263486863 408154134 /nfs/dbraw/zinc/15/41/34/408154134.db2.gz PQLGDSCEVAZCOV-ZIHBUVQPSA-N 0 1 311.426 1.896 10 0 DDAEMN O=C(NC1CC1)[C@@H]1CCCN1C[C@H](O)COCc1ccccc1 ZINC000175761667 408198110 /nfs/dbraw/zinc/19/81/10/408198110.db2.gz GBFLDBXVJRBJQI-IRXDYDNUSA-N 0 1 318.417 1.307 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cnn3c2CCCC3)CCN1C[C@H](C)O ZINC000246351041 408225834 /nfs/dbraw/zinc/22/58/34/408225834.db2.gz WARJOXPYGPACAQ-KBPBESRZSA-N 0 1 320.437 1.137 10 0 DDAEMN CCC[C@@H](C(=O)OCC)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000246696202 408319358 /nfs/dbraw/zinc/31/93/58/408319358.db2.gz JDHXRTCIFAOPRX-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN CCC[C@@H](C(=O)OCC)N1CCN(CCOC)[C@@H](CC)C1 ZINC000246696202 408319363 /nfs/dbraw/zinc/31/93/63/408319363.db2.gz JDHXRTCIFAOPRX-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN CC[C@@H]1CN(Cc2nccc(OC)c2OC)CCN1CCOC ZINC000190523873 408267807 /nfs/dbraw/zinc/26/78/07/408267807.db2.gz GLIWLZZUWWKDSL-CQSZACIVSA-N 0 1 323.437 1.641 10 0 DDAEMN C[C@@H](C(=O)NCc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246854071 408353175 /nfs/dbraw/zinc/35/31/75/408353175.db2.gz FCIDIUZMCZZSEG-DOTOQJQBSA-N 0 1 317.433 1.098 10 0 DDAEMN Cc1cnn(C[C@H]2CN(C(=O)[C@H](N)c3ccccc3)CCO2)c1 ZINC000168239068 162179396 /nfs/dbraw/zinc/17/93/96/162179396.db2.gz NJHGGKGWPXBSFD-HZPDHXFCSA-N 0 1 314.389 1.119 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccccc3C)CCO2)n[nH]1 ZINC000173529403 162345196 /nfs/dbraw/zinc/34/51/96/162345196.db2.gz WVACESLFMWIEBH-CQSZACIVSA-N 0 1 300.362 1.564 10 0 DDAEMN CCCCCCOCC(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000173572241 162349041 /nfs/dbraw/zinc/34/90/41/162349041.db2.gz JUCQOPGBKGFIFJ-CYBMUJFWSA-N 0 1 324.425 1.864 10 0 DDAEMN CCCCO[C@@H](C)C(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000173557635 162349086 /nfs/dbraw/zinc/34/90/86/162349086.db2.gz FTQDPFQGMQKMGK-NWDGAFQWSA-N 0 1 310.398 1.472 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000159713801 408427352 /nfs/dbraw/zinc/42/73/52/408427352.db2.gz AQXLGYCQNVNZCB-LLVKDONJSA-N 0 1 301.184 1.381 10 0 DDAEMN CCOCCN1CCN(Cc2cnc3ccccn23)C[C@H]1C ZINC000247620418 408497808 /nfs/dbraw/zinc/49/78/08/408497808.db2.gz NDYWWHKAFFMUKR-OAHLLOKOSA-N 0 1 302.422 1.877 10 0 DDAEMN CC[C@@H]1CN(C(=O)C(C)(C)CCOC)CCN1C[C@H](C)O ZINC000248424271 408563604 /nfs/dbraw/zinc/56/36/04/408563604.db2.gz GLMCQRODKGTFEG-UONOGXRCSA-N 0 1 300.443 1.353 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(CCOC)[C@@H](C)C1 ZINC000248447464 408568165 /nfs/dbraw/zinc/56/81/65/408568165.db2.gz DEHTYAZICJTQNF-ZDUSSCGKSA-N 0 1 307.394 1.415 10 0 DDAEMN CCCCOCCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248623922 408601058 /nfs/dbraw/zinc/60/10/58/408601058.db2.gz NPXNWRXKHOKOTC-GJZGRUSLSA-N 0 1 315.458 1.290 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2ccc(Br)o2)C[C@H]1C ZINC000248906788 408659470 /nfs/dbraw/zinc/65/94/70/408659470.db2.gz WUCAAFMRXGKLPE-MNOVXSKESA-N 0 1 317.227 1.929 10 0 DDAEMN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000252443688 408793459 /nfs/dbraw/zinc/79/34/59/408793459.db2.gz NVHQJASAMQESMX-OLZOCXBDSA-N 0 1 312.410 1.991 10 0 DDAEMN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000194148696 408767622 /nfs/dbraw/zinc/76/76/22/408767622.db2.gz NVROXFSRBNFBPQ-AWEZNQCLSA-N 0 1 319.405 1.624 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000194159819 408767966 /nfs/dbraw/zinc/76/79/66/408767966.db2.gz PQVUJSRMAUKZQN-CQSZACIVSA-N 0 1 317.389 1.161 10 0 DDAEMN CCC1=C(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCCO1 ZINC000188398474 163052443 /nfs/dbraw/zinc/05/24/43/163052443.db2.gz ZABYEELTRMHTRC-ZDUSSCGKSA-N 0 1 306.366 1.488 10 0 DDAEMN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247243447 163554638 /nfs/dbraw/zinc/55/46/38/163554638.db2.gz YDOMHLAMDRYPSI-NVXWUHKLSA-N 0 1 323.481 1.478 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(N(C)C)c2)C1 ZINC000263421686 163965403 /nfs/dbraw/zinc/96/54/03/163965403.db2.gz LHJJLYZVTCSGIO-UHFFFAOYSA-N 0 1 319.405 1.420 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000132268194 196241155 /nfs/dbraw/zinc/24/11/55/196241155.db2.gz WZXQGPRQSWRASM-NXEZZACHSA-N 0 1 310.151 1.894 10 0 DDAEMN O=C([C@H]1CCCc2[nH]ncc21)N1CCO[C@@H](c2nccs2)C1 ZINC000134321125 196379493 /nfs/dbraw/zinc/37/94/93/196379493.db2.gz KRUQFDQPYKRDFL-GXFFZTMASA-N 0 1 318.402 1.886 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2c[nH]nc2N)C1 ZINC000616619597 422515502 /nfs/dbraw/zinc/51/55/02/422515502.db2.gz JBHBRQKJVSBMGC-LLVKDONJSA-N 0 1 309.414 1.696 10 0 DDAEMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000634829653 422674103 /nfs/dbraw/zinc/67/41/03/422674103.db2.gz CLVILJAOLNGTCG-ARFHVFGLSA-N 0 1 316.401 1.734 10 0 DDAEMN CC[N@@H+](Cc1ccccc1)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643871657 423388525 /nfs/dbraw/zinc/38/85/25/423388525.db2.gz DDIVWCGXZHBPBZ-OAHLLOKOSA-N 0 1 304.390 1.974 10 0 DDAEMN C[C@H](CC1CCCCC1)NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000646458966 423496617 /nfs/dbraw/zinc/49/66/17/423496617.db2.gz UTULLDIDZUSTQD-DGCLKSJQSA-N 0 1 304.456 1.224 10 0 DDAEMN c1cc(CN2CC[C@@H](N3CCOCC3)C2)c2c(c1)OCCO2 ZINC000173943848 275064183 /nfs/dbraw/zinc/06/41/83/275064183.db2.gz FMOQRFSXCIPEFH-OAHLLOKOSA-N 0 1 304.390 1.364 10 0 DDAEMN COc1ccsc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000246062415 278070979 /nfs/dbraw/zinc/07/09/79/278070979.db2.gz WKSWAFFDFSLAFD-QWRGUYRKSA-N 0 1 316.448 1.614 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262508156 279337128 /nfs/dbraw/zinc/33/71/28/279337128.db2.gz OLPJYFWTGGWWMM-KGLIPLIRSA-N 0 1 313.442 1.113 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C ZINC000247243083 290110346 /nfs/dbraw/zinc/11/03/46/290110346.db2.gz SMPRKRXQBBVPQQ-GJZGRUSLSA-N 0 1 323.481 1.307 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H](C3CC3)C2)C1 ZINC000263500151 484275858 /nfs/dbraw/zinc/27/58/58/484275858.db2.gz VDHSHNXBAUANOV-WLYUNCDWSA-N 0 1 323.437 1.756 10 0 DDAEMN CCCN1CCN(c2nc(Cl)nc(N(CC)CC)n2)CC1 ZINC000061522499 534937409 /nfs/dbraw/zinc/93/74/09/534937409.db2.gz YFFNJAWBAVGWAG-UHFFFAOYSA-N 0 1 312.849 1.903 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@@H](O)CC)CC1 ZINC000106386847 696626799 /nfs/dbraw/zinc/62/67/99/696626799.db2.gz RXHWPXNWUFLVBE-LBPRGKRZSA-N 0 1 314.861 1.524 10 0 DDAEMN COCCN1CCN(Cn2cc(Br)cn2)C[C@@H]1C ZINC000117322192 696670557 /nfs/dbraw/zinc/67/05/57/696670557.db2.gz ZUDXIBCDCIUAFA-NSHDSACASA-N 0 1 317.231 1.256 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)[C@@H]1CCOC1 ZINC000175261786 697395595 /nfs/dbraw/zinc/39/55/95/697395595.db2.gz SJRBYOBASLDIHK-SGIHWFKDSA-N 0 1 309.284 1.412 10 0 DDAEMN CCOCCN1CCN(CC(=O)OCC(C)C)C[C@H]1CC ZINC000181451481 697460890 /nfs/dbraw/zinc/46/08/90/697460890.db2.gz HPZOSEIPTLAPQW-OAHLLOKOSA-N 0 1 300.443 1.618 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CCCC[C@H]1O ZINC000183667249 697491676 /nfs/dbraw/zinc/49/16/76/697491676.db2.gz JPOGVWJYUGDJAR-AEJSXWLSSA-N 0 1 310.316 1.109 10 0 DDAEMN COCc1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000248716296 698378819 /nfs/dbraw/zinc/37/88/19/698378819.db2.gz BMPABZZGISRVST-KBPBESRZSA-N 0 1 321.421 1.752 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000248901863 698383653 /nfs/dbraw/zinc/38/36/53/698383653.db2.gz VRSMCHSEMTXUIE-LSDHHAIUSA-N 0 1 310.438 1.515 10 0 DDAEMN CCOCCN1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000248901863 698383665 /nfs/dbraw/zinc/38/36/65/698383665.db2.gz VRSMCHSEMTXUIE-LSDHHAIUSA-N 0 1 310.438 1.515 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC000262711877 698478678 /nfs/dbraw/zinc/47/86/78/698478678.db2.gz LWZWUMWYGFGLFG-PIMMBPRGSA-N 0 1 302.374 1.380 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ncc(C)s2)C1 ZINC000263449655 698507532 /nfs/dbraw/zinc/50/75/32/698507532.db2.gz ACTNVAXWGCALGD-UHFFFAOYSA-N 0 1 312.395 1.511 10 0 DDAEMN CCC[C@H](Nc1nc(N)c2cc(OC)c(OC)cc2[nH+]1)C(=O)[O-] ZINC000263552148 698513251 /nfs/dbraw/zinc/51/32/51/698513251.db2.gz LQICPJRWTYFGFR-VIFPVBQESA-N 0 1 320.349 1.894 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@@H](CNCc2cscn2)[C@H](O)C1 ZINC000702837237 699233519 /nfs/dbraw/zinc/23/35/19/699233519.db2.gz IZQYYMWYULRQJY-ZYHUDNBSSA-N 0 1 313.423 1.461 10 0 DDAEMN O=C(c1cc(Br)c[nH]1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720635482 699306884 /nfs/dbraw/zinc/30/68/84/699306884.db2.gz AGDNPHYARNFMCL-MRVPVSSYSA-N 0 1 311.143 1.268 10 0 DDAEMN Cn1ccc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C(N)=O)c1 ZINC000864915036 706300132 /nfs/dbraw/zinc/30/01/32/706300132.db2.gz KGTRGCJHHCFFDL-GFCCVEGCSA-N 0 1 301.350 1.215 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(C)nc2NC)CCN1C[C@H](C)O ZINC000900868607 709799218 /nfs/dbraw/zinc/79/92/18/709799218.db2.gz UBVKPGNBWNYEGA-UONOGXRCSA-N 0 1 320.437 1.349 10 0 DDAEMN CC[C@@H]1CN([C@H]2CCCN(C(C)C)C2=O)CCN1CCOC ZINC000248327774 282078617 /nfs/dbraw/zinc/07/86/17/282078617.db2.gz COSZJNXRIPZBBP-CVEARBPZSA-N 0 1 311.470 1.428 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)cc2)C[C@@H]1C ZINC000248399510 282080999 /nfs/dbraw/zinc/08/09/99/282080999.db2.gz JYUCBDBPVJSAQJ-NSDHSQQOSA-N 0 1 304.390 1.319 10 0 DDAEMN Cc1cc(C)c(C(N)=S)c(N[C@H](C)CS(C)(=O)=O)n1 ZINC000081904344 192336867 /nfs/dbraw/zinc/33/68/67/192336867.db2.gz SSAOTPMOCIMPQM-SECBINFHSA-N 0 1 301.437 1.178 10 0 DDAEMN Nc1ccc(Br)c(S(=O)(=O)Nc2cnoc2)c1 ZINC000087440970 185225066 /nfs/dbraw/zinc/22/50/66/185225066.db2.gz NKNJPWSRTCXGRT-UHFFFAOYSA-N 0 1 318.152 1.820 10 0 DDAEMN CCN[C@H]1c2ccccc2C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975390 192347835 /nfs/dbraw/zinc/34/78/35/192347835.db2.gz GNISECVODCNOTB-ZFWWWQNUSA-N 0 1 311.403 1.240 10 0 DDAEMN C[NH+]1CCN([C@@H](C(=O)[O-])c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000088045396 185237905 /nfs/dbraw/zinc/23/79/05/185237905.db2.gz UJKATVQHVLFCBI-GFCCVEGCSA-N 0 1 312.753 1.442 10 0 DDAEMN N[C@H](Cc1c[nH]cn1)c1nnc2ccc(Br)cn21 ZINC000087847039 185233378 /nfs/dbraw/zinc/23/33/78/185233378.db2.gz SGXCZTDEXSBNHI-SECBINFHSA-N 0 1 307.155 1.457 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178809282 539233043 /nfs/dbraw/zinc/23/30/43/539233043.db2.gz LINKWUCAXARKRS-GFCCVEGCSA-N 0 1 321.425 1.177 10 0 DDAEMN O=C1CCCN1C[C@@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000179987261 539235028 /nfs/dbraw/zinc/23/50/28/539235028.db2.gz LLLBMHHQUBHVKU-ZDUSSCGKSA-N 0 1 324.371 1.917 10 0 DDAEMN C[C@H](NCC(=O)NC1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000181746838 539238533 /nfs/dbraw/zinc/23/85/33/539238533.db2.gz GFBIORSZBSTDBJ-LBPRGKRZSA-N 0 1 320.389 1.404 10 0 DDAEMN CCOc1ccccc1NC(=O)CN[C@@H](C(=O)NC)C(C)C ZINC000183670486 539243122 /nfs/dbraw/zinc/24/31/22/539243122.db2.gz SEGLXCAJLQPLHN-OAHLLOKOSA-N 0 1 307.394 1.384 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@H](N)c1cccc2ccccc21 ZINC000081976319 192348525 /nfs/dbraw/zinc/34/85/25/192348525.db2.gz YATMHHKIHZKEPL-AWEZNQCLSA-N 0 1 307.371 1.427 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1CCSc2ccccc21)C(C)C ZINC000183647981 539242563 /nfs/dbraw/zinc/24/25/63/539242563.db2.gz NNVSFHZFOYHVCR-OAHLLOKOSA-N 0 1 321.446 1.486 10 0 DDAEMN O=C(C[C@H]1CCCCNC1=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000329272467 231486512 /nfs/dbraw/zinc/48/65/12/231486512.db2.gz INVQWUCDKGPVJM-NEPJUHHUSA-N 0 1 305.382 1.657 10 0 DDAEMN Brc1cnc2c(c1)nccc2NC[C@@H]1COCCN1 ZINC000232456541 539267112 /nfs/dbraw/zinc/26/71/12/539267112.db2.gz RGHZGMHWBXPOFC-SNVBAGLBSA-N 0 1 323.194 1.793 10 0 DDAEMN CCc1cc(C(=O)Nc2nc3c(s2)CNCC3)n(CC)n1 ZINC000090138552 185283594 /nfs/dbraw/zinc/28/35/94/185283594.db2.gz DLHCGIOMKAEBPV-UHFFFAOYSA-N 0 1 305.407 1.820 10 0 DDAEMN CC[N@H+](Cc1c(C)nn(C)c1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090475897 185298308 /nfs/dbraw/zinc/29/83/08/185298308.db2.gz LVCCMDHDBJMHAS-QWRGUYRKSA-N 0 1 301.774 1.303 10 0 DDAEMN CC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090475897 185298309 /nfs/dbraw/zinc/29/83/09/185298309.db2.gz LVCCMDHDBJMHAS-QWRGUYRKSA-N 0 1 301.774 1.303 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255827512 282279898 /nfs/dbraw/zinc/27/98/98/282279898.db2.gz AVULRKDPWRBFHD-AWFCHZOYSA-N 0 1 303.406 1.318 10 0 DDAEMN C[C@H]1CC[C@H](n2nnc(CN)c2I)C1 ZINC000675051952 539562506 /nfs/dbraw/zinc/56/25/06/539562506.db2.gz YIWROCSWZXMWSX-BQBZGAKWSA-N 0 1 306.151 1.703 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(N)cc(F)c1 ZINC000071403105 190967566 /nfs/dbraw/zinc/96/75/66/190967566.db2.gz VLBONAHNDORLLW-LBPRGKRZSA-N 0 1 301.387 1.123 10 0 DDAEMN COc1ccc(OC)c([C@@H](N)C[S@](=O)C2CCOCC2)c1 ZINC000084054319 192398315 /nfs/dbraw/zinc/39/83/15/192398315.db2.gz IFBKDLAXUIONOW-LHSJRXKWSA-N 0 1 313.419 1.631 10 0 DDAEMN COCCO[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000187990223 186240614 /nfs/dbraw/zinc/24/06/14/186240614.db2.gz PAGWTXNCGRYDBP-IAGOWNOFSA-N 0 1 320.433 1.423 10 0 DDAEMN Oc1ccc(Br)c(CN[C@H]2CCOC[C@H]2O)c1 ZINC000623766255 366046038 /nfs/dbraw/zinc/04/60/38/366046038.db2.gz CQYHNYQRCDIRBG-NWDGAFQWSA-N 0 1 302.168 1.394 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173577861 198230103 /nfs/dbraw/zinc/23/01/03/198230103.db2.gz VVKJAQJNJLQDGN-AWEZNQCLSA-N 0 1 314.389 1.818 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000173883030 198264029 /nfs/dbraw/zinc/26/40/29/198264029.db2.gz SUMZKJWSPZGHMN-RISCZKNCSA-N 0 1 300.399 1.833 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CCN1C[C@@H](C)O ZINC000174620116 198360443 /nfs/dbraw/zinc/36/04/43/198360443.db2.gz YVRKTHGPTUIIDP-IAQYHMDHSA-N 0 1 312.360 1.882 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000174778821 198384235 /nfs/dbraw/zinc/38/42/35/198384235.db2.gz WYEADWWIYQSLPB-LBPRGKRZSA-N 0 1 308.382 1.468 10 0 DDAEMN COC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000115751942 353987659 /nfs/dbraw/zinc/98/76/59/353987659.db2.gz DPIUZIHAKQRCII-DOMZBBRYSA-N 0 1 318.373 1.934 10 0 DDAEMN O=C([C@@H]1NCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 ZINC000156395176 354219679 /nfs/dbraw/zinc/21/96/79/354219679.db2.gz IWSGEIRQRDQOOT-GOEBONIOSA-N 0 1 311.389 1.329 10 0 DDAEMN C[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000309844260 354475226 /nfs/dbraw/zinc/47/52/26/354475226.db2.gz RWCYVWAOXPNELP-NVXWUHKLSA-N 0 1 307.390 1.751 10 0 DDAEMN CCc1cc(C(=O)N2CCN(CC)[C@H](c3nccn3C)C2)n[nH]1 ZINC000328635799 354555024 /nfs/dbraw/zinc/55/50/24/354555024.db2.gz VDOBMHYPGMVGPL-AWEZNQCLSA-N 0 1 316.409 1.225 10 0 DDAEMN O=C1CSc2ccc(S(=O)(=O)Nc3ncccn3)cc2N1 ZINC000074936905 191391901 /nfs/dbraw/zinc/39/19/01/191391901.db2.gz HSUIOFQGROXUFI-UHFFFAOYSA-N 0 1 322.371 1.322 10 0 DDAEMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCNCC1 ZINC000236916727 202070163 /nfs/dbraw/zinc/07/01/63/202070163.db2.gz QKJNPVARINWHAJ-LBPRGKRZSA-N 0 1 301.394 1.756 10 0 DDAEMN COc1ccc([C@H](C)C(=O)NCCN2CCCOCC2)cc1 ZINC000189362354 200388000 /nfs/dbraw/zinc/38/80/00/200388000.db2.gz SKXRGQZULQVTAO-AWEZNQCLSA-N 0 1 306.406 1.637 10 0 DDAEMN CC1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC[NH2+]CC1 ZINC000193371888 201040353 /nfs/dbraw/zinc/04/03/53/201040353.db2.gz UDRPGDOAACAUTO-UHFFFAOYSA-N 0 1 322.352 1.772 10 0 DDAEMN C[N@H+]1CCN(C(=O)N2CCSC[C@H]2CC(=O)[O-])CC1(C)C ZINC000091133110 193000258 /nfs/dbraw/zinc/00/02/58/193000258.db2.gz RKBVSADBYBLJNI-LLVKDONJSA-N 0 1 315.439 1.025 10 0 DDAEMN Cc1ccc(O)c(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000091996701 193138244 /nfs/dbraw/zinc/13/82/44/193138244.db2.gz BGUWQOIOQVYQCG-LBPRGKRZSA-N 0 1 304.268 1.935 10 0 DDAEMN CC1CCN(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)CC1 ZINC000091989381 193138269 /nfs/dbraw/zinc/13/82/69/193138269.db2.gz HQYSFMKGRBOHJU-UHFFFAOYSA-N 0 1 312.483 1.521 10 0 DDAEMN COc1ccc([C@@H](O)CNC(=O)[C@H](N)c2ccc(C)cc2)cc1 ZINC000262671525 203375421 /nfs/dbraw/zinc/37/54/21/203375421.db2.gz RUVVYLHWYQSFGQ-DLBZAZTESA-N 0 1 314.385 1.853 10 0 DDAEMN CC(C)[C@@H]1CN2CCCC[C@@H]2CN1CCCS(C)(=O)=O ZINC000094434201 193369951 /nfs/dbraw/zinc/36/99/51/193369951.db2.gz QQORWBJYYWFIPX-CABCVRRESA-N 0 1 302.484 1.616 10 0 DDAEMN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(CN)o2)cc1 ZINC000094566762 193380844 /nfs/dbraw/zinc/38/08/44/193380844.db2.gz CMAJKVLPBWJPGY-UHFFFAOYSA-N 0 1 309.347 1.362 10 0 DDAEMN C[C@H](Nc1nc2ccc(Br)cn2n1)c1nn[nH]n1 ZINC000094604989 193384113 /nfs/dbraw/zinc/38/41/13/193384113.db2.gz HMISBPSYRDMPNN-YFKPBYRVSA-N 0 1 309.131 1.178 10 0 DDAEMN CCN1CCN(C(=O)Cc2c(C)nc3c(C)cccn23)CC1 ZINC000041292488 183183217 /nfs/dbraw/zinc/18/32/17/183183217.db2.gz ZPMMHCZFKIZJIY-UHFFFAOYSA-N 0 1 300.406 1.658 10 0 DDAEMN O=C([O-])C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000042162439 183237325 /nfs/dbraw/zinc/23/73/25/183237325.db2.gz SHTROUPMKKZWOE-ZDUSSCGKSA-N 0 1 310.781 1.895 10 0 DDAEMN CN(C)C(=O)Cc1nc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cs1 ZINC000042162877 183237392 /nfs/dbraw/zinc/23/73/92/183237392.db2.gz XHEORZUQZKFJII-NSHDSACASA-N 0 1 311.407 1.213 10 0 DDAEMN CCOCCN1CCN(Cc2noc(C(C)(C)C)n2)C[C@@H]1C ZINC000105835385 194141131 /nfs/dbraw/zinc/14/11/31/194141131.db2.gz PCWXARDDBMFVRO-ZDUSSCGKSA-N 0 1 310.442 1.910 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2cccc(C)c2)CCN1CCOC ZINC000105835987 194143380 /nfs/dbraw/zinc/14/33/80/194143380.db2.gz XQFRJPMPFQTRCA-QGZVFWFLSA-N 0 1 319.449 1.976 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(=O)OC)co2)CCN1CCOC ZINC000105837402 194144220 /nfs/dbraw/zinc/14/42/20/194144220.db2.gz RXFAKLRZJAYDBH-AWEZNQCLSA-N 0 1 310.394 1.609 10 0 DDAEMN NC(=S)CN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000109442657 194263868 /nfs/dbraw/zinc/26/38/68/194263868.db2.gz OEDSQILOPHOZKW-UHFFFAOYSA-N 0 1 300.431 1.639 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109466655 194266504 /nfs/dbraw/zinc/26/65/04/194266504.db2.gz WGOYXLGOOLBQLO-UHFFFAOYSA-N 0 1 312.483 1.711 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](c2nccs2)C1 ZINC000110886144 194366912 /nfs/dbraw/zinc/36/69/12/194366912.db2.gz NYRYRVZSXUUFAA-LBPRGKRZSA-N 0 1 315.358 1.628 10 0 DDAEMN CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)C[C@H](C)C(=O)[O-] ZINC000061218547 184166394 /nfs/dbraw/zinc/16/63/94/184166394.db2.gz FUPNRNKSGOCTBV-VIFPVBQESA-N 0 1 309.391 1.607 10 0 DDAEMN OCc1c(Cl)n(-c2ncnc3nc[nH]c32)nc1C(F)F ZINC000061629144 184179610 /nfs/dbraw/zinc/17/96/10/184179610.db2.gz NEEIRUXZZMFKMA-UHFFFAOYSA-N 0 1 300.656 1.622 10 0 DDAEMN CCN(CC)[C@@H](CNS(=O)(=O)NC(C)C)c1cccs1 ZINC000062359604 184232704 /nfs/dbraw/zinc/23/27/04/184232704.db2.gz ZZOJWVRKCVXRTB-LBPRGKRZSA-N 0 1 319.496 1.963 10 0 DDAEMN Cc1cc(N)ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062975745 184264075 /nfs/dbraw/zinc/26/40/75/184264075.db2.gz TYBKICWZGKDCFM-AWEZNQCLSA-N 0 1 309.435 1.436 10 0 DDAEMN O=S1(=O)CCC(NC2=N[C@@H](c3ccccc3)CS2)CC1 ZINC000063002030 184265580 /nfs/dbraw/zinc/26/55/80/184265580.db2.gz ZDTMTPGOVAUWJC-CYBMUJFWSA-N 0 1 310.444 1.997 10 0 DDAEMN O=S(=O)(C[C@@H]1CCCO1)Nc1cccc(Br)n1 ZINC000063156079 184274805 /nfs/dbraw/zinc/27/48/05/184274805.db2.gz KNOYLEAJVQFSDC-QMMMGPOBSA-N 0 1 321.196 1.765 10 0 DDAEMN Cc1cc(F)cc(C)c1S(=O)(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262739224 291914342 /nfs/dbraw/zinc/91/43/42/291914342.db2.gz BGLNBKUMURYSBP-NEPJUHHUSA-N 0 1 300.399 1.813 10 0 DDAEMN CC(C)C(=O)NCCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000121826388 195357179 /nfs/dbraw/zinc/35/71/79/195357179.db2.gz RSZWPWAZPJZQEX-AWEZNQCLSA-N 0 1 310.442 1.028 10 0 DDAEMN O[C@H](COCc1ccccc1)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000084963897 407096494 /nfs/dbraw/zinc/09/64/94/407096494.db2.gz CRENCMFDPSYBNX-KBPBESRZSA-N 0 1 319.323 1.563 10 0 DDAEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC(CC(N)=O)CC1 ZINC000048025878 407086633 /nfs/dbraw/zinc/08/66/33/407086633.db2.gz JFNVJNGVUAGONA-UONOGXRCSA-N 0 1 317.433 1.840 10 0 DDAEMN CC(C)[C@H](C)NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066891933 407262640 /nfs/dbraw/zinc/26/26/40/407262640.db2.gz OMAYYGKPAWIGEN-AWEZNQCLSA-N 0 1 319.453 1.677 10 0 DDAEMN Cn1cc(CCCNC(=O)c2cc(F)cc3nc[nH]c32)cn1 ZINC000102649909 407325218 /nfs/dbraw/zinc/32/52/18/407325218.db2.gz GWKZXVKWJUUKFU-UHFFFAOYSA-N 0 1 301.325 1.798 10 0 DDAEMN CC[C@](C)(O)CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000123454249 407329288 /nfs/dbraw/zinc/32/92/88/407329288.db2.gz GSOPBINADICBCJ-KRWDZBQOSA-N 0 1 308.397 1.673 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC000123555786 407331996 /nfs/dbraw/zinc/33/19/96/407331996.db2.gz GQEBZVPYOWYCDU-LBPRGKRZSA-N 0 1 302.340 1.992 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@H+]1CCOC ZINC000105835906 407355484 /nfs/dbraw/zinc/35/54/84/407355484.db2.gz VBABYBGGVMVCQX-MRXNPFEDSA-N 0 1 313.486 1.674 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1CCOC ZINC000105835906 407355486 /nfs/dbraw/zinc/35/54/86/407355486.db2.gz VBABYBGGVMVCQX-MRXNPFEDSA-N 0 1 313.486 1.674 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c(F)c1 ZINC000113305680 407493234 /nfs/dbraw/zinc/49/32/34/407493234.db2.gz CBUVSWWUHJSOFJ-STQMWFEESA-N 0 1 312.410 1.991 10 0 DDAEMN Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccccc1 ZINC000224294848 407576017 /nfs/dbraw/zinc/57/60/17/407576017.db2.gz JSXYCVFYDBJUBC-UHFFFAOYSA-N 0 1 306.391 1.960 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 ZINC000170873647 407540694 /nfs/dbraw/zinc/54/06/94/407540694.db2.gz BHAIEVBALRHSBE-LBPRGKRZSA-N 0 1 322.386 1.118 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170877220 407541399 /nfs/dbraw/zinc/54/13/99/407541399.db2.gz KIVJPRUNNFDRDR-NSHDSACASA-N 0 1 317.418 1.814 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(CCOCC)[C@H](CC)C2)n[nH]1 ZINC000116767932 407773972 /nfs/dbraw/zinc/77/39/72/407773972.db2.gz PTVQQQSMDRKCEG-OAHLLOKOSA-N 0 1 322.453 1.935 10 0 DDAEMN CC(C)OCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000186772988 407768531 /nfs/dbraw/zinc/76/85/31/407768531.db2.gz NNKRXLVGIZNEAM-HUUCEWRRSA-N 0 1 315.458 1.288 10 0 DDAEMN CCOCCN1CCN(C(=O)Nc2cnn(CC)c2)C[C@@H]1CC ZINC000116927938 407798647 /nfs/dbraw/zinc/79/86/47/407798647.db2.gz KDKBQBXPWUSNKJ-HNNXBMFYSA-N 0 1 323.441 1.868 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000262363039 407812373 /nfs/dbraw/zinc/81/23/73/407812373.db2.gz VUILJHGGBHHUMM-AWEZNQCLSA-N 0 1 315.373 1.117 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2c(C)noc2C)CCN1CCOC ZINC000117304073 407825993 /nfs/dbraw/zinc/82/59/93/407825993.db2.gz ISVNCUNEVSDLEB-OAHLLOKOSA-N 0 1 323.437 1.793 10 0 DDAEMN CCCNC(=O)c1ccc(NC(=O)[C@@H](N)COC)cc1Cl ZINC000262509518 407853087 /nfs/dbraw/zinc/85/30/87/407853087.db2.gz JKRXQQUSYSUDJI-LBPRGKRZSA-N 0 1 313.785 1.392 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000262585199 407874038 /nfs/dbraw/zinc/87/40/38/407874038.db2.gz VHVBMQZFVNGBSO-QWHCGFSZSA-N 0 1 308.378 1.465 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000187697678 407879690 /nfs/dbraw/zinc/87/96/90/407879690.db2.gz QEKVRHRGYYMQIY-CQSZACIVSA-N 0 1 315.458 1.554 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)[nH]n1 ZINC000173521707 407883630 /nfs/dbraw/zinc/88/36/30/407883630.db2.gz ZPGHBNLQVJYISP-LBPRGKRZSA-N 0 1 304.354 1.002 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3ccc(-n4cccn4)cc3)CCO2)n[nH]1 ZINC000173662409 407893484 /nfs/dbraw/zinc/89/34/84/407893484.db2.gz LEWVVSVWEAQVEQ-MRXNPFEDSA-N 0 1 324.388 1.872 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000118859295 407957673 /nfs/dbraw/zinc/95/76/73/407957673.db2.gz RKKSPMPHPAZHEY-CQSZACIVSA-N 0 1 302.422 1.462 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000118858594 407958153 /nfs/dbraw/zinc/95/81/53/407958153.db2.gz DSOSXRCSTOZYRH-GDBMZVCRSA-N 0 1 305.422 1.402 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000180751636 407916164 /nfs/dbraw/zinc/91/61/64/407916164.db2.gz FTYCVVHOFNYAGM-LSDHHAIUSA-N 0 1 321.421 1.162 10 0 DDAEMN CCCCS[C@@H](C)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262795895 407932974 /nfs/dbraw/zinc/93/29/74/407932974.db2.gz LQRYENIJICADFJ-HIFPTAJRSA-N 0 1 316.467 1.962 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccn2)CCN1C[C@@H](C)O ZINC000181525830 408007314 /nfs/dbraw/zinc/00/73/14/408007314.db2.gz GULKJEUVWZIHQY-UKRRQHHQSA-N 0 1 306.410 1.068 10 0 DDAEMN CN(CCN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000246321673 408219598 /nfs/dbraw/zinc/21/95/98/408219598.db2.gz NAKHCNQIFULJMY-QGZVFWFLSA-N 0 1 300.406 1.720 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)COC)CCN1CCOC ZINC000246714033 408322850 /nfs/dbraw/zinc/32/28/50/408322850.db2.gz HHNNOJXNDOAMAJ-UONOGXRCSA-N 0 1 301.431 1.021 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@H](C)SC)CCN1CCOC ZINC000246543457 408286140 /nfs/dbraw/zinc/28/61/40/408286140.db2.gz KSKTXOWVBPFQNZ-STQMWFEESA-N 0 1 303.472 1.490 10 0 DDAEMN CCc1oc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1C ZINC000133111206 162051178 /nfs/dbraw/zinc/05/11/78/162051178.db2.gz JLEKJTYYOOOVHN-ZDUSSCGKSA-N 0 1 304.350 1.791 10 0 DDAEMN COCCN1CCN([C@@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000246773528 408336172 /nfs/dbraw/zinc/33/61/72/408336172.db2.gz VMMISWYYOVDDNF-GOEBONIOSA-N 0 1 306.406 1.553 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCOc2ccccc2)C[C@H]1C ZINC000246765148 408336188 /nfs/dbraw/zinc/33/61/88/408336188.db2.gz OZQGXNFHDILUFF-CVEARBPZSA-N 0 1 320.433 1.759 10 0 DDAEMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000246830081 408351022 /nfs/dbraw/zinc/35/10/22/408351022.db2.gz CJMIPMJLMZBAOS-QLFBSQMISA-N 0 1 304.438 1.999 10 0 DDAEMN CC(C)n1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000172014405 162253493 /nfs/dbraw/zinc/25/34/93/162253493.db2.gz GDQBZFJKRAHDDT-UHFFFAOYSA-N 0 1 316.453 1.905 10 0 DDAEMN CC(C)(C)OC(=O)CCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000173499026 162343642 /nfs/dbraw/zinc/34/36/42/162343642.db2.gz ZNYTXNFJZVFUGA-ZDUSSCGKSA-N 0 1 311.426 1.598 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CSC(F)(F)F)CCO2)n[nH]1 ZINC000173519987 162344861 /nfs/dbraw/zinc/34/48/61/162344861.db2.gz ROBTXACVRFIXGZ-SSDOTTSWSA-N 0 1 310.301 1.266 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@@H]3CC3(Cl)Cl)CCO2)n[nH]1 ZINC000173516058 162344979 /nfs/dbraw/zinc/34/49/79/162344979.db2.gz SNWINXHUFNNZJN-JGVFFNPUSA-N 0 1 305.165 1.207 10 0 DDAEMN COCc1cccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173542128 162347990 /nfs/dbraw/zinc/34/79/90/162347990.db2.gz HOSWPGWMYUTRFP-AWEZNQCLSA-N 0 1 316.361 1.473 10 0 DDAEMN O=C(CN1CC[C@@H](N2CCOCC2)C1)N(C1CC1)C1CCCC1 ZINC000173931874 162376804 /nfs/dbraw/zinc/37/68/04/162376804.db2.gz CVNJIROAIMTTDM-QGZVFWFLSA-N 0 1 321.465 1.327 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)N(C)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000176817040 408452419 /nfs/dbraw/zinc/45/24/19/408452419.db2.gz ZMRVBVHJEODXOQ-CYBMUJFWSA-N 0 1 319.340 1.882 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000247086756 408406689 /nfs/dbraw/zinc/40/66/89/408406689.db2.gz HGSBNCWJBUIAAY-GJZGRUSLSA-N 0 1 305.422 1.036 10 0 DDAEMN CCCc1noc(CN2CCN(CCOCC)[C@@H](CC)C2)n1 ZINC000247374171 408459946 /nfs/dbraw/zinc/45/99/46/408459946.db2.gz VATGKEQNAYWNGO-AWEZNQCLSA-N 0 1 310.442 1.955 10 0 DDAEMN O=C(CN1CC[C@H](CNc2ccccn2)C1)NC[C@H]1CCCO1 ZINC000247374776 408460008 /nfs/dbraw/zinc/46/00/08/408460008.db2.gz ODBIGLJCOKEDEJ-HUUCEWRRSA-N 0 1 318.421 1.111 10 0 DDAEMN CC[C@H]1CN(CCC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](C)O ZINC000247209469 408429134 /nfs/dbraw/zinc/42/91/34/408429134.db2.gz PMGJIWCBZJCILX-KBPBESRZSA-N 0 1 300.443 1.495 10 0 DDAEMN Nc1cc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)ccn1 ZINC000191482638 408431127 /nfs/dbraw/zinc/43/11/27/408431127.db2.gz INHGFHPLNVVTHT-QGZVFWFLSA-N 0 1 312.417 1.515 10 0 DDAEMN COC(=O)c1oc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1C ZINC000177270209 408566917 /nfs/dbraw/zinc/56/69/17/408566917.db2.gz XNADPAAFNKPVAA-DZGCQCFKSA-N 0 1 322.405 1.527 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)CCc3ccccc3)CCO2)n[nH]1 ZINC000248600596 408596037 /nfs/dbraw/zinc/59/60/37/408596037.db2.gz UZMRNMOMOVBPDN-JKSUJKDBSA-N 0 1 316.405 1.480 10 0 DDAEMN CCOCCN1CCN([C@H](C)c2nnnn2C2CC2)C[C@@H]1C ZINC000248893672 408657055 /nfs/dbraw/zinc/65/70/55/408657055.db2.gz SSNJLVBQASTNFH-QWHCGFSZSA-N 0 1 308.430 1.112 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)NC2CCN(Cc3cccnc3)CC2)O1 ZINC000177815677 408721275 /nfs/dbraw/zinc/72/12/75/408721275.db2.gz OTHNRYQBJCEZRW-CJNGLKHVSA-N 0 1 303.406 1.730 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000194310645 408776678 /nfs/dbraw/zinc/77/66/78/408776678.db2.gz RCXWRUGHAJNMET-LLVKDONJSA-N 0 1 300.362 1.137 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000194310645 408776680 /nfs/dbraw/zinc/77/66/80/408776680.db2.gz RCXWRUGHAJNMET-LLVKDONJSA-N 0 1 300.362 1.137 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cn4ccnc4s3)CCO2)n[nH]1 ZINC000188579541 163059761 /nfs/dbraw/zinc/05/97/61/163059761.db2.gz ALNMCYGMPRDOCF-SECBINFHSA-N 0 1 318.362 1.036 10 0 DDAEMN C=Cn1cc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000194347953 163280525 /nfs/dbraw/zinc/28/05/25/163280525.db2.gz DOOBXJZROUHJKK-AWEZNQCLSA-N 0 1 314.393 1.311 10 0 DDAEMN CCn1cc(C2CCN([C@H](C)C(=O)NCCCOC)CC2)cn1 ZINC000195501662 163325240 /nfs/dbraw/zinc/32/52/40/163325240.db2.gz NLPQRGBVVFQIHI-CQSZACIVSA-N 0 1 322.453 1.624 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515782 163326144 /nfs/dbraw/zinc/32/61/44/163326144.db2.gz AHMNZVHFOKIFJZ-LSDHHAIUSA-N 0 1 304.438 1.976 10 0 DDAEMN CCOC[C@H](NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000248972031 163623337 /nfs/dbraw/zinc/62/33/37/163623337.db2.gz SMKHGKHXJHRGPO-ILXRZTDVSA-N 0 1 315.458 1.144 10 0 DDAEMN CCc1nc([C@H]2CN(c3cnc4ccccc4n3)CCO2)n[nH]1 ZINC000131624068 196185661 /nfs/dbraw/zinc/18/56/61/196185661.db2.gz NKFXSFBPLWJEKQ-CYBMUJFWSA-N 0 1 310.361 1.888 10 0 DDAEMN C[C@@](O)(CNC(=O)[C@H]1CCc2[nH]nnc2C1)C1CCCCC1 ZINC000367393365 418595953 /nfs/dbraw/zinc/59/59/53/418595953.db2.gz BEMIESPNQAQJNX-MEDUHNTESA-N 0 1 306.410 1.357 10 0 DDAEMN C[C@@](O)(CNC(=O)[C@H]1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000367393365 418595955 /nfs/dbraw/zinc/59/59/55/418595955.db2.gz BEMIESPNQAQJNX-MEDUHNTESA-N 0 1 306.410 1.357 10 0 DDAEMN CN1C[C@H](Nc2ncnc3[nH]cnc32)CC[C@@H]1C(F)(F)F ZINC000583616755 422201112 /nfs/dbraw/zinc/20/11/12/422201112.db2.gz NQGDENSEFKYDEA-HTQZYQBOSA-N 0 1 300.288 1.790 10 0 DDAEMN Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)on1 ZINC000583619621 422204157 /nfs/dbraw/zinc/20/41/57/422204157.db2.gz LLXYRPXCGTVPJO-SWLSCSKDSA-N 0 1 317.393 1.529 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCCF)[N@@H+]1Cc1ccccc1 ZINC000630650325 422240722 /nfs/dbraw/zinc/24/07/22/422240722.db2.gz OCYXWFDKQXSLRU-GJZGRUSLSA-N 0 1 322.380 1.970 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCCF)[N@H+]1Cc1ccccc1 ZINC000630650325 422240728 /nfs/dbraw/zinc/24/07/28/422240728.db2.gz OCYXWFDKQXSLRU-GJZGRUSLSA-N 0 1 322.380 1.970 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@@H]1C ZINC000182002261 263371392 /nfs/dbraw/zinc/37/13/92/263371392.db2.gz GYFZKWKEXYKPFD-NWDGAFQWSA-N 0 1 319.380 1.834 10 0 DDAEMN COC[C@@H]1C[C@H](OC)CN1CC(=O)N(C1CC1)C1CCCC1 ZINC000344373399 272012106 /nfs/dbraw/zinc/01/21/06/272012106.db2.gz SMBKTLCAAXAQDR-HOTGVXAUSA-N 0 1 310.438 1.656 10 0 DDAEMN CCn1nccc1CCN1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000344473282 272032755 /nfs/dbraw/zinc/03/27/55/272032755.db2.gz MJQOPLRREOCZIP-HOTGVXAUSA-N 0 1 320.437 1.157 10 0 DDAEMN C[C@H]1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178497380 274604392 /nfs/dbraw/zinc/60/43/92/274604392.db2.gz RYEHCVAEPJKGOP-JTQLQIEISA-N 0 1 305.403 1.555 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000263226484 277247000 /nfs/dbraw/zinc/24/70/00/277247000.db2.gz GOXCMQRXIABAMF-ZYHUDNBSSA-N 0 1 312.439 1.287 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000119011817 281088380 /nfs/dbraw/zinc/08/83/80/281088380.db2.gz ZERVTVHYDQCBPG-LSDHHAIUSA-N 0 1 314.470 1.621 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000123242919 281168156 /nfs/dbraw/zinc/16/81/56/281168156.db2.gz OEUOBTKSYMEKIE-KRWDZBQOSA-N 0 1 311.470 1.168 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)[C@@H]2CCn3ccnc3C2)n[nH]1 ZINC000328676892 293382756 /nfs/dbraw/zinc/38/27/56/293382756.db2.gz LSRFCYKDLQIWJI-CHWSQXEVSA-N 0 1 314.393 1.626 10 0 DDAEMN CN1CCN(c2ccc(N)cc2NC(=O)c2cccnc2)CC1 ZINC000226259440 490701639 /nfs/dbraw/zinc/70/16/39/490701639.db2.gz SSINWZIVLRDMHN-UHFFFAOYSA-N 0 1 311.389 1.668 10 0 DDAEMN COC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000246338809 698348257 /nfs/dbraw/zinc/34/82/57/698348257.db2.gz LCLGSKSTSACMOP-DOTOQJQBSA-N 0 1 320.437 1.498 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000248897197 698383101 /nfs/dbraw/zinc/38/31/01/698383101.db2.gz BUKMQNBIQPGKTM-CHWSQXEVSA-N 0 1 311.426 1.454 10 0 DDAEMN COC[C@H](N)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000262035609 698451462 /nfs/dbraw/zinc/45/14/62/698451462.db2.gz FOGFGWJJHRDVML-LSDHHAIUSA-N 0 1 312.385 1.317 10 0 DDAEMN COC[C@@H](N)C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000262300364 698463577 /nfs/dbraw/zinc/46/35/77/698463577.db2.gz NVACQLSOWWXKAP-LLVKDONJSA-N 0 1 306.284 1.174 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000262718955 698478418 /nfs/dbraw/zinc/47/84/18/698478418.db2.gz OQTSRJPGMGEYDO-SSDMNJCBSA-N 0 1 318.373 1.044 10 0 DDAEMN C[C@@]1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1(F)F ZINC000263150833 698493314 /nfs/dbraw/zinc/49/33/14/698493314.db2.gz HNBOVJQXDPGCPL-MGULZYLOSA-N 0 1 316.348 1.476 10 0 DDAEMN C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)o1 ZINC000263484294 698509479 /nfs/dbraw/zinc/50/94/79/698509479.db2.gz GZQXMEQIOYVGAO-SNPRPXQTSA-N 0 1 322.405 1.620 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2cscn2)C1 ZINC000702837235 699233609 /nfs/dbraw/zinc/23/36/09/699233609.db2.gz IZQYYMWYULRQJY-JQWIXIFHSA-N 0 1 313.423 1.461 10 0 DDAEMN O=C([O-])[C@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705945333 699242466 /nfs/dbraw/zinc/24/24/66/699242466.db2.gz VGUVNIAYJZIHRB-QXSJWSMHSA-N 0 1 314.385 1.298 10 0 DDAEMN NCc1nc2c(s1)CCN(C1CCC3(CC1)OCCO3)C2 ZINC000710060203 699253491 /nfs/dbraw/zinc/25/34/91/699253491.db2.gz VVLHNOPIVAHQNH-UHFFFAOYSA-N 0 1 309.435 1.646 10 0 DDAEMN O=C(c1cccc(Br)n1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720616629 699306563 /nfs/dbraw/zinc/30/65/63/699306563.db2.gz HDRPNNUBNJBDNO-QMMMGPOBSA-N 0 1 323.154 1.335 10 0 DDAEMN Cc1ocnc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000886041061 708687439 /nfs/dbraw/zinc/68/74/39/708687439.db2.gz KVTMUHOOIPCQDV-SWLSCSKDSA-N 0 1 317.393 1.529 10 0 DDAEMN CCN1CCO[C@@H](CNCc2n[nH]cc2C)[C@@H]1c1nccn1C ZINC000886081973 708694480 /nfs/dbraw/zinc/69/44/80/708694480.db2.gz OFBWYCXCJQDWQT-LSDHHAIUSA-N 0 1 318.425 1.003 10 0 DDAEMN CCOCCCCNC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248430610 282082569 /nfs/dbraw/zinc/08/25/69/282082569.db2.gz BBSDMNNXAOBRMD-LSDHHAIUSA-N 0 1 315.458 1.290 10 0 DDAEMN C[C@H](C(=O)c1ccc(Cl)cc1)[S@@](=O)CCS(C)(=O)=O ZINC000081910163 192338524 /nfs/dbraw/zinc/33/85/24/192338524.db2.gz VYZHMQPCMWRFNZ-DYBLOJMWSA-N 0 1 322.835 1.705 10 0 DDAEMN C[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)[C@H]1CCCO1 ZINC000083177827 185216092 /nfs/dbraw/zinc/21/60/92/185216092.db2.gz LQBMYXRFLMEVRE-UKRRQHHQSA-N 0 1 311.426 1.060 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000249628855 282187579 /nfs/dbraw/zinc/18/75/79/282187579.db2.gz URXCBDJXAAOXOY-WCQYABFASA-N 0 1 313.423 1.097 10 0 DDAEMN COC1CCN(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)CC1 ZINC000328750067 231330567 /nfs/dbraw/zinc/33/05/67/231330567.db2.gz RBJBFUQGWKEGKM-CYBMUJFWSA-N 0 1 307.398 1.871 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](NC)c1ccc(C)cc1C ZINC000081977142 192347730 /nfs/dbraw/zinc/34/77/30/192347730.db2.gz MFBHPJZTVDGYIE-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(C)C2CCCC2)c1S(N)(=O)=O ZINC000087894545 185235206 /nfs/dbraw/zinc/23/52/06/185235206.db2.gz WLKLWPSLNJCXEJ-UHFFFAOYSA-N 0 1 314.411 1.024 10 0 DDAEMN COc1ccc(CN2CCN(C3CC3)CC2)cc1C(N)=S ZINC000087832525 185232468 /nfs/dbraw/zinc/23/24/68/185232468.db2.gz KUBSVFFFNOONIT-UHFFFAOYSA-N 0 1 305.447 1.609 10 0 DDAEMN Nc1ccc(Br)cc1N1CCN(CCO)CC1 ZINC000087834863 185232957 /nfs/dbraw/zinc/23/29/57/185232957.db2.gz OQGZBPLLQBMTFB-UHFFFAOYSA-N 0 1 300.200 1.146 10 0 DDAEMN CN[C@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1C ZINC000081974548 192348242 /nfs/dbraw/zinc/34/82/42/192348242.db2.gz QDCQIQZMEVPDIK-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccnn1C1CCCC1)C(C)C ZINC000183681249 539242977 /nfs/dbraw/zinc/24/29/77/539242977.db2.gz RTRHYSDSFXJRQG-OAHLLOKOSA-N 0 1 321.425 1.297 10 0 DDAEMN Cc1nnc2sc(C(=O)N[C@@H]3CCN(C)C3)c(N)c2c1C ZINC000088641675 185261103 /nfs/dbraw/zinc/26/11/03/185261103.db2.gz KNQFMSKSVFHZLB-SECBINFHSA-N 0 1 305.407 1.324 10 0 DDAEMN C[C@@H](CCc1ccc2c(c1)OCO2)N[C@H]1C=CS(=O)(=O)C1 ZINC000088853410 185266769 /nfs/dbraw/zinc/26/67/69/185266769.db2.gz BWVHTSXIRDGPHZ-AAEUAGOBSA-N 0 1 309.387 1.637 10 0 DDAEMN Cc1cccc(Cl)c1NC(=O)[C@@H](N)CCS(C)(=O)=O ZINC000090537649 185301550 /nfs/dbraw/zinc/30/15/50/185301550.db2.gz VIBCXQBBHODJEG-JTQLQIEISA-N 0 1 304.799 1.349 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)n[nH]c1C ZINC000092666113 185332761 /nfs/dbraw/zinc/33/27/61/185332761.db2.gz NPTDTBAEVNEKBP-LBPRGKRZSA-N 0 1 300.428 1.131 10 0 DDAEMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000092926818 185349440 /nfs/dbraw/zinc/34/94/40/185349440.db2.gz JUNFPGLHXWYBQX-GXFFZTMASA-N 0 1 310.781 1.751 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(Cl)ccn3)CCO2)n[nH]1 ZINC000173566893 198227758 /nfs/dbraw/zinc/22/77/58/198227758.db2.gz ZFFASIBXJIAHDI-NSHDSACASA-N 0 1 321.768 1.629 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000173887022 198265370 /nfs/dbraw/zinc/26/53/70/198265370.db2.gz MRHLJDRVKMYLIT-PWSUYJOCSA-N 0 1 317.842 1.742 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2F)CCN1C[C@@H](C)O ZINC000174640063 198363869 /nfs/dbraw/zinc/36/38/69/198363869.db2.gz KDEQFNRNTNTNPL-UKRRQHHQSA-N 0 1 308.397 1.672 10 0 DDAEMN CCOC(=O)C[C@@H](NC(=O)c1cnn[nH]1)c1ccccc1C ZINC000174675638 198368441 /nfs/dbraw/zinc/36/84/41/198368441.db2.gz TZBCBXZQVYQDBP-GFCCVEGCSA-N 0 1 302.334 1.537 10 0 DDAEMN COC(=O)c1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(F)c1 ZINC000135419359 354115516 /nfs/dbraw/zinc/11/55/16/354115516.db2.gz XKGXDOKSWVPVDP-QWHCGFSZSA-N 0 1 324.396 1.499 10 0 DDAEMN CC[C@](C)(OC)c1ncc(I)c(=O)[nH]1 ZINC000159246676 354233343 /nfs/dbraw/zinc/23/33/43/354233343.db2.gz ZVANAJUTZUXYOE-VIFPVBQESA-N 0 1 308.119 1.646 10 0 DDAEMN CCOC(=O)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000220575754 354314041 /nfs/dbraw/zinc/31/40/41/354314041.db2.gz JPGKXYQZVKXCLL-CYBMUJFWSA-N 0 1 319.405 1.625 10 0 DDAEMN CC(=O)N(C[C@H]1CCCN1Cc1cnc2ncccn12)C1CC1 ZINC000328631355 354553093 /nfs/dbraw/zinc/55/30/93/354553093.db2.gz KKDPYXUXEOESOW-OAHLLOKOSA-N 0 1 313.405 1.705 10 0 DDAEMN Cc1oc(CN)cc1S(=O)(=O)N(C)Cc1cccs1 ZINC000088957862 192669919 /nfs/dbraw/zinc/66/99/19/192669919.db2.gz UOGCVGPVFVUEIT-UHFFFAOYSA-N 0 1 300.405 1.929 10 0 DDAEMN CNCc1c(C)oc(C)c1S(=O)(=O)N1CCOC[C@@H]1C ZINC000088960423 192670084 /nfs/dbraw/zinc/67/00/84/192670084.db2.gz INGYNGZEMDDCQE-VIFPVBQESA-N 0 1 302.396 1.025 10 0 DDAEMN COC[C@H]1CN(C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000189403555 200395402 /nfs/dbraw/zinc/39/54/02/200395402.db2.gz OXKMWAGHRGQOGQ-BHYGNILZSA-N 0 1 309.406 1.300 10 0 DDAEMN CC(=O)c1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)ccc1C ZINC000194140736 201185331 /nfs/dbraw/zinc/18/53/31/201185331.db2.gz UXRYTQHSEBEFSB-HNNXBMFYSA-N 0 1 304.390 1.600 10 0 DDAEMN O=c1[nH]c(Cc2nc3ccccc3[nH]2)ncc1Br ZINC000090747594 192928135 /nfs/dbraw/zinc/92/81/35/192928135.db2.gz QVFKAYPKLUWSQI-UHFFFAOYSA-N 0 1 305.135 2.000 10 0 DDAEMN COCc1nc([C@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687429 193091379 /nfs/dbraw/zinc/09/13/79/193091379.db2.gz VYZKSGXMWWGDFT-MRVPVSSYSA-N 0 1 318.171 1.094 10 0 DDAEMN C[NH2+]C1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000091872451 193121199 /nfs/dbraw/zinc/12/11/99/193121199.db2.gz GVVACZHPNPRIEI-UHFFFAOYSA-N 0 1 322.352 1.913 10 0 DDAEMN Cn1ncc(C(N)=S)c1NC(=O)c1ccc(Cl)cc1O ZINC000093351778 193235772 /nfs/dbraw/zinc/23/57/72/193235772.db2.gz HCRLWYGLMNYGCT-UHFFFAOYSA-N 0 1 310.766 1.666 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093615698 193275176 /nfs/dbraw/zinc/27/51/76/193275176.db2.gz KXMXWIFITNDSBK-SKDRFNHKSA-N 0 1 305.300 1.963 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000093758794 193302211 /nfs/dbraw/zinc/30/22/11/193302211.db2.gz LNVTVQCCUNDQLG-MWLCHTKSSA-N 0 1 302.172 1.631 10 0 DDAEMN COC(=O)[C@]1(NC2CC2)CCC[C@H](Sc2nnc(C)[nH]2)C1 ZINC000093778835 193306375 /nfs/dbraw/zinc/30/63/75/193306375.db2.gz HIJXWLMGOZFBFA-FZMZJTMJSA-N 0 1 310.423 1.812 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000093850576 193318757 /nfs/dbraw/zinc/31/87/57/193318757.db2.gz JYUNHUVNIGVUKD-ZWNOBZJWSA-N 0 1 311.411 1.303 10 0 DDAEMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638312 193387627 /nfs/dbraw/zinc/38/76/27/193387627.db2.gz TUQGADZDEXUQDH-IPYPFGDCSA-N 0 1 317.451 1.919 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@H](N2CCc3c(N)cccc3C2)C1 ZINC000094638623 193388314 /nfs/dbraw/zinc/38/83/14/193388314.db2.gz XFXKDHWVCOOGKR-KBPBESRZSA-N 0 1 308.447 1.983 10 0 DDAEMN CC1(C)CSC[C@@H]([N@@H+](CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)C1 ZINC000094491569 193373876 /nfs/dbraw/zinc/37/38/76/193373876.db2.gz YUXXWIRDJRIRDU-MNOVXSKESA-N 0 1 321.464 1.092 10 0 DDAEMN C[C@@H](CNS(=O)(=O)/C=C\c1ccccc1)N1CCN(C)CC1 ZINC000096035162 193492060 /nfs/dbraw/zinc/49/20/60/193492060.db2.gz HWBNLNHBYLCAFC-ODDCISTRSA-N 0 1 323.462 1.213 10 0 DDAEMN C[C@@H]1CN(CCC(=O)Nc2ccc(C(N)=S)cc2)CCO1 ZINC000020008842 182177170 /nfs/dbraw/zinc/17/71/70/182177170.db2.gz HFYAYBGHZVXFPV-LLVKDONJSA-N 0 1 307.419 1.370 10 0 DDAEMN O=C([C@H]1CC(=O)Nc2ccccc21)N1CC[C@H](c2nc[nH]n2)C1 ZINC000333532752 249014103 /nfs/dbraw/zinc/01/41/03/249014103.db2.gz YLGLQBWLGIRXEA-JQWIXIFHSA-N 0 1 311.345 1.247 10 0 DDAEMN Nc1cc(S(=O)(=O)NCC(F)(F)F)c(Cl)cc1F ZINC000040314277 183054165 /nfs/dbraw/zinc/05/41/65/183054165.db2.gz SVKYLONCRGYPBH-UHFFFAOYSA-N 0 1 306.668 1.902 10 0 DDAEMN Cc1nc2n(n1)C(CC(=O)Nc1ccc(C)cc1F)C(=O)N2 ZINC000040375580 183057457 /nfs/dbraw/zinc/05/74/57/183057457.db2.gz FCJPYVZMQWROLS-NSHDSACASA-N 0 1 303.297 1.556 10 0 DDAEMN CCc1nc(CNC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)n[nH]1 ZINC000334092797 249213212 /nfs/dbraw/zinc/21/32/12/249213212.db2.gz OXPVROGALBUAEZ-DZGCQCFKSA-N 0 1 307.398 1.466 10 0 DDAEMN C[C@H](NCc1cccc(Br)c1)C(=O)NC(N)=O ZINC000042418966 183267610 /nfs/dbraw/zinc/26/76/10/183267610.db2.gz NRKLGBDFCHRMSQ-ZETCQYMHSA-N 0 1 300.156 1.122 10 0 DDAEMN COc1ccc(C(=O)N[C@H]2CCN(C)C2)cc1Br ZINC000042374808 183260759 /nfs/dbraw/zinc/26/07/59/183260759.db2.gz AMUTUXAHRWLWOF-JTQLQIEISA-N 0 1 313.195 1.892 10 0 DDAEMN COc1ccccc1[C@@H](Sc1nc(N)cc(=O)[n-]1)[C@H](C)[NH3+] ZINC000043101992 183338587 /nfs/dbraw/zinc/33/85/87/183338587.db2.gz XLSFYJPBGHVZCR-SDBXPKJASA-N 0 1 306.391 1.541 10 0 DDAEMN CCN1C(=O)C[C@H](NCc2ccc(Br)cc2)C1=O ZINC000104653681 194022484 /nfs/dbraw/zinc/02/24/84/194022484.db2.gz GOBIBUSCLCTAGH-NSHDSACASA-N 0 1 311.179 1.686 10 0 DDAEMN CC(C)Oc1ccccc1C(=O)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284647557 218114469 /nfs/dbraw/zinc/11/44/69/218114469.db2.gz PEANQJGRNZTXAK-MRXNPFEDSA-N 0 1 316.361 1.326 10 0 DDAEMN COC[C@@H]1C[C@H](OC)CN1CC(=O)NCCc1ccccc1C ZINC000284771026 218170446 /nfs/dbraw/zinc/17/04/46/218170446.db2.gz XHOUAYNRKXKDAR-IRXDYDNUSA-N 0 1 320.433 1.389 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2ccccc2C)C[C@H]1C ZINC000105834128 194142414 /nfs/dbraw/zinc/14/24/14/194142414.db2.gz XBIFGEVFEJJJJB-IAGOWNOFSA-N 0 1 322.449 1.387 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000105901223 194165089 /nfs/dbraw/zinc/16/50/89/194165089.db2.gz HSZPBHIJLQRFDT-CYBMUJFWSA-N 0 1 319.409 1.159 10 0 DDAEMN CSc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105933056 194173700 /nfs/dbraw/zinc/17/37/00/194173700.db2.gz SGBVMRWUXCSDOV-TZMCWYRMSA-N 0 1 323.462 1.656 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2ccncc2)CC1 ZINC000109463325 194266045 /nfs/dbraw/zinc/26/60/45/194266045.db2.gz ZXBWVUNKYQKFJZ-ZDUSSCGKSA-N 0 1 306.435 1.294 10 0 DDAEMN O=C([O-])C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000061125965 184162341 /nfs/dbraw/zinc/16/23/41/184162341.db2.gz DCYPLEVTJTUCGX-UHFFFAOYSA-N 0 1 312.753 1.278 10 0 DDAEMN Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000061642617 184180533 /nfs/dbraw/zinc/18/05/33/184180533.db2.gz YAKSMPUWOFTDDZ-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120874974 195255367 /nfs/dbraw/zinc/25/53/67/195255367.db2.gz WZZCYBBWDVTQLS-JHJVBQTASA-N 0 1 322.453 1.434 10 0 DDAEMN Fc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccnc4)C[C@H]3C2)nc1 ZINC000503715786 257209594 /nfs/dbraw/zinc/20/95/94/257209594.db2.gz AZCHWOHVIGFKOP-ZFWWWQNUSA-N 0 1 315.352 1.353 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(N)=O)cs2)CCN1CCOC ZINC000120969361 195272710 /nfs/dbraw/zinc/27/27/10/195272710.db2.gz CGCNPNKJPGQQTG-ZDUSSCGKSA-N 0 1 311.451 1.390 10 0 DDAEMN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000128718513 407566305 /nfs/dbraw/zinc/56/63/05/407566305.db2.gz MEORKLSNSKNLHJ-CYBMUJFWSA-N 0 1 324.446 1.483 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(C(C)C)on3)CCO2)n[nH]1 ZINC000123085473 407318952 /nfs/dbraw/zinc/31/89/52/407318952.db2.gz IBDAMVNHAPPJLU-LBPRGKRZSA-N 0 1 319.365 1.692 10 0 DDAEMN CCc1n[nH]c2c1C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000097499681 407299313 /nfs/dbraw/zinc/29/93/13/407299313.db2.gz SHOWYWAFOYUEGD-UHFFFAOYSA-N 0 1 315.373 1.994 10 0 DDAEMN CCc1n[nH]c2c1C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000097499681 407299314 /nfs/dbraw/zinc/29/93/14/407299314.db2.gz SHOWYWAFOYUEGD-UHFFFAOYSA-N 0 1 315.373 1.994 10 0 DDAEMN CCc1[nH]nc2c1C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000097499681 407299316 /nfs/dbraw/zinc/29/93/16/407299316.db2.gz SHOWYWAFOYUEGD-UHFFFAOYSA-N 0 1 315.373 1.994 10 0 DDAEMN CCc1[nH]nc2c1C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000097499681 407299317 /nfs/dbraw/zinc/29/93/17/407299317.db2.gz SHOWYWAFOYUEGD-UHFFFAOYSA-N 0 1 315.373 1.994 10 0 DDAEMN CCCCN(C)S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000125522642 407390341 /nfs/dbraw/zinc/39/03/41/407390341.db2.gz XZKQYOFMWCOAJB-OAHLLOKOSA-N 0 1 313.467 1.856 10 0 DDAEMN O=c1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)nc2cc[n-]n21 ZINC000108858364 407391781 /nfs/dbraw/zinc/39/17/81/407391781.db2.gz SQEDUTGOAIYWCF-ZDUSSCGKSA-N 0 1 324.388 1.352 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCN1CCOC ZINC000127133141 407428293 /nfs/dbraw/zinc/42/82/93/407428293.db2.gz PEJQRMZKAIWYSP-KGLIPLIRSA-N 0 1 315.483 1.634 10 0 DDAEMN O=C1NCCC[C@H]1NCc1ccc(Br)c(F)c1 ZINC000127432084 407436896 /nfs/dbraw/zinc/43/68/96/407436896.db2.gz YQEOHMWAXZZTGD-LLVKDONJSA-N 0 1 301.159 1.956 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3CC[C@H](C)O3)n2)cc1 ZINC000152471050 407640020 /nfs/dbraw/zinc/64/00/20/407640020.db2.gz MWLPFWIVPVPVHO-GXFFZTMASA-N 0 1 316.361 1.664 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)[C@H]3CC[C@H](C)O3)n[nH]2)cc1 ZINC000152471050 407640026 /nfs/dbraw/zinc/64/00/26/407640026.db2.gz MWLPFWIVPVPVHO-GXFFZTMASA-N 0 1 316.361 1.664 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3nc(C)sc3C)CCO2)n[nH]1 ZINC000178770657 407592371 /nfs/dbraw/zinc/59/23/71/407592371.db2.gz PBRSGDALHLBLQO-SNVBAGLBSA-N 0 1 321.406 1.654 10 0 DDAEMN Cc1ccc(CCNC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000186164685 407592915 /nfs/dbraw/zinc/59/29/15/407592915.db2.gz IQBSLCGLAFOLFI-LSDHHAIUSA-N 0 1 320.437 1.029 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccn(Cc2ccncc2)n1)N(C)C ZINC000179137391 407733840 /nfs/dbraw/zinc/73/38/40/407733840.db2.gz YEMIYXQURQXVOZ-AWEZNQCLSA-N 0 1 301.394 1.995 10 0 DDAEMN CN1CCO[C@@H]2CN(c3nn4cc(C(C)(C)C)nc4s3)C[C@H]21 ZINC000153160292 407765774 /nfs/dbraw/zinc/76/57/74/407765774.db2.gz JCQLQUBCIIRKBS-GHMZBOCLSA-N 0 1 321.450 1.608 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000262241468 407771595 /nfs/dbraw/zinc/77/15/95/407771595.db2.gz HUJRTNCBSMGMRU-OAHLLOKOSA-N 0 1 310.394 1.540 10 0 DDAEMN CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@H](N)COC ZINC000262293757 407788388 /nfs/dbraw/zinc/78/83/88/407788388.db2.gz YWQNPJIGUVRATH-LLVKDONJSA-N 0 1 309.366 1.207 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000172355781 407823213 /nfs/dbraw/zinc/82/32/13/407823213.db2.gz WCZUNOUMTVZRHP-GFCCVEGCSA-N 0 1 320.359 1.334 10 0 DDAEMN CCOc1cc(C)nc(N2CCN(C[C@H](C)COC)CC2)n1 ZINC000187231202 407834371 /nfs/dbraw/zinc/83/43/71/407834371.db2.gz RBKLJOSHUYARJW-ZDUSSCGKSA-N 0 1 308.426 1.588 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000179886088 407837201 /nfs/dbraw/zinc/83/72/01/407837201.db2.gz GZPIWVMQQIOKEU-ZDUSSCGKSA-N 0 1 312.435 1.798 10 0 DDAEMN C[C@@H]1CC[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)c2ccccc21 ZINC000262520134 407857236 /nfs/dbraw/zinc/85/72/36/407857236.db2.gz DSUVQGRXYGIQME-KCPJHIHWSA-N 0 1 324.446 1.503 10 0 DDAEMN COC(=O)[C@H](c1ccccc1F)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000173334229 407875130 /nfs/dbraw/zinc/87/51/30/407875130.db2.gz RLNALUWIAAHCGI-IOASZLSFSA-N 0 1 324.396 1.427 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(F)ccc2OC)C1 ZINC000262698612 407904326 /nfs/dbraw/zinc/90/43/26/407904326.db2.gz FTRXAUGFNNPLJJ-UHFFFAOYSA-N 0 1 324.352 1.502 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(COC)c2)C1 ZINC000262742880 407914766 /nfs/dbraw/zinc/91/47/66/407914766.db2.gz WUEJQMPPMFJQOE-UHFFFAOYSA-N 0 1 320.389 1.500 10 0 DDAEMN COCCOc1ccccc1CN1CCC[C@@H](NC(C)=O)C1 ZINC000153914267 407931046 /nfs/dbraw/zinc/93/10/46/407931046.db2.gz IHQWPQKMADQBEQ-MRXNPFEDSA-N 0 1 306.406 1.812 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ncccc2C)CCN1C[C@@H](C)O ZINC000181714825 408031015 /nfs/dbraw/zinc/03/10/15/408031015.db2.gz PBFURMHADYXNRC-CABCVRRESA-N 0 1 320.437 1.377 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)CCN1C[C@@H](C)O ZINC000182038802 408068727 /nfs/dbraw/zinc/06/87/27/408068727.db2.gz RPGCZUAOMSGDCF-UKRRQHHQSA-N 0 1 309.454 1.663 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NCCOc2ccccc2)C[C@H]1C ZINC000245849706 408079409 /nfs/dbraw/zinc/07/94/09/408079409.db2.gz FTYCVVHOFNYAGM-CABCVRRESA-N 0 1 321.421 1.162 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC000263426340 408135379 /nfs/dbraw/zinc/13/53/79/408135379.db2.gz MGBOEBHGWVKILS-DVTFPSANSA-N 0 1 312.410 1.101 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(OC)c2)C1 ZINC000263462919 408145577 /nfs/dbraw/zinc/14/55/77/408145577.db2.gz FEDCYUNVPXWTPZ-UHFFFAOYSA-N 0 1 321.377 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCC[C@@H](C)C2)C1 ZINC000263513270 408162225 /nfs/dbraw/zinc/16/22/25/408162225.db2.gz ZORIKWXUJLORKQ-IYXRBSQSSA-N 0 1 311.426 1.756 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nn3cc(C)nc3s2)C1 ZINC000263542215 408167733 /nfs/dbraw/zinc/16/77/33/408167733.db2.gz DPVLTBGFGWJARP-UHFFFAOYSA-N 0 1 309.395 1.449 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCO[C@@H]1CCOC1 ZINC000150789402 408202915 /nfs/dbraw/zinc/20/29/15/408202915.db2.gz ZNUSIOOSROGPCT-IAGOWNOFSA-N 0 1 320.433 1.471 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@H]2CCOC2)C[C@@H]1CC ZINC000246577961 408296151 /nfs/dbraw/zinc/29/61/51/408296151.db2.gz VYRQARUKIUODKZ-HOTGVXAUSA-N 0 1 312.454 1.762 10 0 DDAEMN COc1ccccc1NCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246613980 408304702 /nfs/dbraw/zinc/30/47/02/408304702.db2.gz COCKZZPQBZALME-KGLIPLIRSA-N 0 1 321.421 1.021 10 0 DDAEMN CCOC(=O)CCCCN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000132963169 162049425 /nfs/dbraw/zinc/04/94/25/162049425.db2.gz WMGDCAUMKJNOMU-CYBMUJFWSA-N 0 1 324.425 1.790 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(c2nncn2CC)CC1 ZINC000171644350 162232902 /nfs/dbraw/zinc/23/29/02/162232902.db2.gz DIZZJEJQRKQPGH-CHWSQXEVSA-N 0 1 307.442 1.781 10 0 DDAEMN CCc1ccccc1NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000171645880 162233527 /nfs/dbraw/zinc/23/35/27/162233527.db2.gz CUHPYWLQVZTBJQ-UKRRQHHQSA-N 0 1 305.422 1.496 10 0 DDAEMN CCC[C@H](C)CS(=O)(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246902583 408364891 /nfs/dbraw/zinc/36/48/91/408364891.db2.gz HSXQAXSCKLRSAC-CMPLNLGQSA-N 0 1 316.427 1.252 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3cccc(Cl)c3)CCO2)n[nH]1 ZINC000173528814 162345305 /nfs/dbraw/zinc/34/53/05/162345305.db2.gz BZUAFERTOYVVBS-CYBMUJFWSA-N 0 1 320.780 1.909 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(Cl)nc3)CCO2)n[nH]1 ZINC000173600318 162351819 /nfs/dbraw/zinc/35/18/19/162351819.db2.gz HKJIQIGKMPDKTH-SNVBAGLBSA-N 0 1 307.741 1.375 10 0 DDAEMN COCCN1CCN(Cc2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000247049947 408395991 /nfs/dbraw/zinc/39/59/91/408395991.db2.gz FFOHZWKCHJAYFN-HNNXBMFYSA-N 0 1 302.422 1.795 10 0 DDAEMN CCN(C(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000247215391 408428851 /nfs/dbraw/zinc/42/88/51/408428851.db2.gz QBDITYWMPCOEHA-CVEARBPZSA-N 0 1 319.449 1.426 10 0 DDAEMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247223857 408432970 /nfs/dbraw/zinc/43/29/70/408432970.db2.gz WJNFZMCRGOJUEP-VVLHAWIVSA-N 0 1 323.481 1.286 10 0 DDAEMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247223857 408432974 /nfs/dbraw/zinc/43/29/74/408432974.db2.gz WJNFZMCRGOJUEP-VVLHAWIVSA-N 0 1 323.481 1.286 10 0 DDAEMN CC[N@@H+](CCO)CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000183965225 408519899 /nfs/dbraw/zinc/51/98/99/408519899.db2.gz VTLLUAZVSZVWGT-UHFFFAOYSA-N 0 1 321.204 1.743 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247399068 408464335 /nfs/dbraw/zinc/46/43/35/408464335.db2.gz YESMQCGPKUTSEJ-ZBFHGGJFSA-N 0 1 313.486 1.722 10 0 DDAEMN CC[C@@H]1C[C@@H](C(=O)N2CCN(CCOC)[C@@H](CC)C2)CCO1 ZINC000248535610 408582151 /nfs/dbraw/zinc/58/21/51/408582151.db2.gz GPVKDMKBIHQKIT-HRCADAONSA-N 0 1 312.454 1.761 10 0 DDAEMN C[C@H]1CC[C@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000162906888 408744048 /nfs/dbraw/zinc/74/40/48/408744048.db2.gz ILBYCECYBDWBBR-BQBZGAKWSA-N 0 1 319.146 1.975 10 0 DDAEMN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000163288164 408772660 /nfs/dbraw/zinc/77/26/60/408772660.db2.gz SAXGLHFCSRBOSY-FRRDWIJNSA-N 0 1 304.456 1.079 10 0 DDAEMN C[C@H]1C(=O)NCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000188897964 163076666 /nfs/dbraw/zinc/07/66/66/163076666.db2.gz ICYBAVYJGUUIMU-NSHDSACASA-N 0 1 304.394 1.808 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)CC1CCOCC1 ZINC000189135007 163085802 /nfs/dbraw/zinc/08/58/02/163085802.db2.gz RLOWYBFDCMVIDY-CQSZACIVSA-N 0 1 306.472 1.309 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)OC)CCN1CCOC ZINC000190701812 163152776 /nfs/dbraw/zinc/15/27/76/163152776.db2.gz NOXQOKIJUKBAQK-BFHYXJOUSA-N 0 1 301.431 1.162 10 0 DDAEMN CCOCCN1CCN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1C ZINC000191337018 163181525 /nfs/dbraw/zinc/18/15/25/163181525.db2.gz MUERVHPVJSFENC-AWEZNQCLSA-N 0 1 309.458 1.576 10 0 DDAEMN CC(C)c1noc(CCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000195059265 163304295 /nfs/dbraw/zinc/30/42/95/163304295.db2.gz MHNSMLCGUJSEPJ-CYBMUJFWSA-N 0 1 306.410 1.822 10 0 DDAEMN CC(C)c1noc(CCC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000195059265 163304297 /nfs/dbraw/zinc/30/42/97/163304297.db2.gz MHNSMLCGUJSEPJ-CYBMUJFWSA-N 0 1 306.410 1.822 10 0 DDAEMN O=C(CN1CC[C@H](CNc2ccccn2)C1)NC1CCCC1 ZINC000195515696 163326331 /nfs/dbraw/zinc/32/63/31/163326331.db2.gz YBIGTKBKSYWZJP-CQSZACIVSA-N 0 1 302.422 1.874 10 0 DDAEMN CC[C@@H](CSC)NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263231256 163934933 /nfs/dbraw/zinc/93/49/33/163934933.db2.gz MKJFOHYOOGYYNY-UNXYVOJBSA-N 0 1 317.455 1.365 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C(C)C)CCO2)n[nH]1 ZINC000365495859 418868011 /nfs/dbraw/zinc/86/80/11/418868011.db2.gz FKNULCAMEWZQBZ-DYEKYZERSA-N 0 1 322.409 1.328 10 0 DDAEMN Cc1ncsc1/C=C\C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000492661161 420620596 /nfs/dbraw/zinc/62/05/96/420620596.db2.gz FZZMDVKBLRVKNZ-JYYSYOFASA-N 0 1 309.435 1.378 10 0 DDAEMN CN1C(=O)C[C@@H](NCc2cnn3ccccc23)[C@@H]1c1cccnc1 ZINC000583616632 422201672 /nfs/dbraw/zinc/20/16/72/422201672.db2.gz UTFOBYTZFRUGMT-QAPCUYQASA-N 0 1 321.384 1.791 10 0 DDAEMN O=C(COCCOc1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000195057788 263534002 /nfs/dbraw/zinc/53/40/02/263534002.db2.gz JAULYSPKPJLDTM-INIZCTEOSA-N 0 1 318.417 1.779 10 0 DDAEMN Cc1ccc2ncc(CN3C[C@@H](O)[C@H](n4ccnn4)C3)cc2c1 ZINC000639740750 423702234 /nfs/dbraw/zinc/70/22/34/423702234.db2.gz FFJXVSVDIHUHSU-IAGOWNOFSA-N 0 1 309.373 1.553 10 0 DDAEMN CCN(C)[C@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112661840 276078403 /nfs/dbraw/zinc/07/84/03/276078403.db2.gz BJSJVMNADLWKDG-ZBFHGGJFSA-N 0 1 313.405 1.402 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2C[C@]2(C)C(C)C)C1 ZINC000263366749 279058919 /nfs/dbraw/zinc/05/89/19/279058919.db2.gz LQENHBGAHUAVCX-GAWYNMALSA-N 0 1 311.426 1.658 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000123342870 281169841 /nfs/dbraw/zinc/16/98/41/281169841.db2.gz QPUKKKYCTVFULB-DOTOQJQBSA-N 0 1 311.470 1.166 10 0 DDAEMN O=C(C[C@H]1COCCN1)N1CCC(c2ccc(O)cc2)CC1 ZINC000262211109 295548605 /nfs/dbraw/zinc/54/86/05/295548605.db2.gz OCPHMPVWQFFKEI-HNNXBMFYSA-N 0 1 304.390 1.477 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1O ZINC000375427678 307225726 /nfs/dbraw/zinc/22/57/26/307225726.db2.gz SBGDRRSGNKHISJ-MISXGVKJSA-N 0 1 306.410 1.165 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1O ZINC000375427678 307225727 /nfs/dbraw/zinc/22/57/27/307225727.db2.gz SBGDRRSGNKHISJ-MISXGVKJSA-N 0 1 306.410 1.165 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(CN)o2)C[C@@H]1CC ZINC000168082051 484088961 /nfs/dbraw/zinc/08/89/61/484088961.db2.gz CRSZIUAUCOLUFL-ZDUSSCGKSA-N 0 1 309.410 1.311 10 0 DDAEMN Cc1nc([C@@H]2CN(c3noc(-c4ccccc4)n3)CCO2)n[nH]1 ZINC000157900984 526534600 /nfs/dbraw/zinc/53/46/00/526534600.db2.gz UWYCWFSUAHVWLF-LBPRGKRZSA-N 0 1 312.333 1.741 10 0 DDAEMN CC(C)[C@H]1N(C(=O)NCc2n[nH]c(C3CC3)n2)C[C@@]12CCCO2 ZINC000334017155 535274480 /nfs/dbraw/zinc/27/44/80/535274480.db2.gz AZWRLQCGCSPGGI-CJNGLKHVSA-N 0 1 319.409 1.781 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000171189207 697355176 /nfs/dbraw/zinc/35/51/76/697355176.db2.gz YTCKBYXAUKEMAO-LSDHHAIUSA-N 0 1 317.389 1.186 10 0 DDAEMN CCC[C@H]1CC(=O)N(CN2CCN(CCOC)[C@H](CC)C2)C1 ZINC000173350545 697377290 /nfs/dbraw/zinc/37/72/90/697377290.db2.gz YHIKRQRQGDYTQE-JKSUJKDBSA-N 0 1 311.470 1.635 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)C[C@H]2CSCCS2)C[C@H]1C ZINC000246858114 698356327 /nfs/dbraw/zinc/35/63/27/698356327.db2.gz VXFPUGJRTCFLSB-AGIUHOORSA-N 0 1 318.508 1.139 10 0 DDAEMN C[C@H](N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nnnn1C ZINC000248728608 698379332 /nfs/dbraw/zinc/37/93/32/698379332.db2.gz VHBMMWIAOOUVRL-SRVKXCTJSA-N 0 1 324.429 1.554 10 0 DDAEMN C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)o1 ZINC000263484292 698509411 /nfs/dbraw/zinc/50/94/11/698509411.db2.gz GZQXMEQIOYVGAO-BPLDGKMQSA-N 0 1 322.405 1.620 10 0 DDAEMN C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)o1 ZINC000263484296 698509483 /nfs/dbraw/zinc/50/94/83/698509483.db2.gz GZQXMEQIOYVGAO-VHDGCEQUSA-N 0 1 322.405 1.620 10 0 DDAEMN O=C(c1ccc(Br)nc1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720618112 699306784 /nfs/dbraw/zinc/30/67/84/699306784.db2.gz OFWXZYKZJXRPCQ-QMMMGPOBSA-N 0 1 323.154 1.335 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826794129 705873116 /nfs/dbraw/zinc/87/31/16/705873116.db2.gz NMGFXYKGCWLMGR-HUUCEWRRSA-N 0 1 305.426 1.223 10 0 DDAEMN Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cnc(C)[nH]2)C3)n1 ZINC000888098933 709213216 /nfs/dbraw/zinc/21/32/16/709213216.db2.gz YULUWEOVYGGLSD-NHYWBVRUSA-N 0 1 301.350 1.603 10 0 DDAEMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000900390286 709570037 /nfs/dbraw/zinc/57/00/37/709570037.db2.gz BIIWCPNMLHJWIK-KCJUWKMLSA-N 0 1 303.370 1.017 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCCSC)CCN1C[C@H](C)O ZINC000248448979 282083682 /nfs/dbraw/zinc/08/36/82/282083682.db2.gz DWTYCELZDDFNRL-KBPBESRZSA-N 0 1 317.499 1.616 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)N[C@@H]3CCCO3)cc2)CC1 ZINC000074754005 185015801 /nfs/dbraw/zinc/01/58/01/185015801.db2.gz DKJBADSZNHDQHX-HNNXBMFYSA-N 0 1 304.394 1.696 10 0 DDAEMN CCCCOC[C@H](O)CN1CCC[C@@H](NC(=O)OCC)C1 ZINC000248643067 282095728 /nfs/dbraw/zinc/09/57/28/282095728.db2.gz DODMHHQGPIFYMH-ZIAGYGMSSA-N 0 1 302.415 1.375 10 0 DDAEMN COCCS(=O)(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000081943050 192343921 /nfs/dbraw/zinc/34/39/21/192343921.db2.gz ADLQCRIEVOKSLZ-CQSZACIVSA-N 0 1 301.408 1.535 10 0 DDAEMN CCN[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081975392 192347490 /nfs/dbraw/zinc/34/74/90/192347490.db2.gz GNISECVODCNOTB-UKRRQHHQSA-N 0 1 311.403 1.240 10 0 DDAEMN COc1nc(NN)nc(Nc2ccccc2Br)n1 ZINC000087896790 185235675 /nfs/dbraw/zinc/23/56/75/185235675.db2.gz IGGSOQCWAYCUKD-UHFFFAOYSA-N 0 1 311.143 1.672 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000081974486 192348138 /nfs/dbraw/zinc/34/81/38/192348138.db2.gz NYOHOWKYZMPPAX-LSDHHAIUSA-N 0 1 313.419 1.689 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000188514660 539251142 /nfs/dbraw/zinc/25/11/42/539251142.db2.gz HUCKAWHVRVQMNQ-ZBEGNZNMSA-N 0 1 300.362 1.725 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000088543468 185256623 /nfs/dbraw/zinc/25/66/23/185256623.db2.gz YADZSXIDAQOBHA-PHIMTYICSA-N 0 1 302.396 1.187 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)C1CCCCCC1 ZINC000088884233 185268865 /nfs/dbraw/zinc/26/88/65/185268865.db2.gz FOTVMFOQAFODBL-UHFFFAOYSA-N 0 1 301.412 1.554 10 0 DDAEMN CCC[C@H](C)NC(=O)C[N@@H+](CCC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090529095 185300535 /nfs/dbraw/zinc/30/05/35/185300535.db2.gz MBAITZNBWSCVKX-RWMBFGLXSA-N 0 1 300.399 1.103 10 0 DDAEMN C[N@H+](Cc1nnc(-c2cccs2)o1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388827 185293883 /nfs/dbraw/zinc/29/38/83/185293883.db2.gz YNMYNZQJUHLGSJ-DTWKUNHWSA-N 0 1 309.347 1.330 10 0 DDAEMN C[N@@H+](Cc1nnc(-c2cccs2)o1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388827 185293884 /nfs/dbraw/zinc/29/38/84/185293884.db2.gz YNMYNZQJUHLGSJ-DTWKUNHWSA-N 0 1 309.347 1.330 10 0 DDAEMN Cc1cc(S(=O)(=O)NCc2c(C)noc2C)sc1CN ZINC000092344147 185313227 /nfs/dbraw/zinc/31/32/27/185313227.db2.gz QTJGZECFCCHOGH-UHFFFAOYSA-N 0 1 315.420 1.599 10 0 DDAEMN CN(C(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCC[N@@H+](C)C1 ZINC000092445994 185319032 /nfs/dbraw/zinc/31/90/32/185319032.db2.gz AMWCFBHFLVFOCU-SECBINFHSA-N 0 1 311.304 1.081 10 0 DDAEMN COCCNCC(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092495307 185322279 /nfs/dbraw/zinc/32/22/79/185322279.db2.gz UNKILDINGWKNBI-UHFFFAOYSA-N 0 1 308.769 1.700 10 0 DDAEMN COCCNCC(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000092495519 185322352 /nfs/dbraw/zinc/32/23/52/185322352.db2.gz LTGBGQIZDLQOFO-UHFFFAOYSA-N 0 1 309.757 1.095 10 0 DDAEMN Cc1c(CO)cccc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092678301 185333402 /nfs/dbraw/zinc/33/34/02/185333402.db2.gz HTHMEORBRHLQDV-AWEZNQCLSA-N 0 1 312.435 1.202 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(N)cc1F ZINC000092622656 185329955 /nfs/dbraw/zinc/32/99/55/185329955.db2.gz JIWFIPSRANONKW-GFCCVEGCSA-N 0 1 315.414 1.513 10 0 DDAEMN CCn1c(SCC(=O)[O-])nnc1N(C)C[C@H]1CCC[N@H+]1C ZINC000092633755 185330527 /nfs/dbraw/zinc/33/05/27/185330527.db2.gz ISFCBWNUUDKACH-SNVBAGLBSA-N 0 1 313.427 1.005 10 0 DDAEMN Cc1ccc(CO)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092678030 185333506 /nfs/dbraw/zinc/33/35/06/185333506.db2.gz WWCAKZYCEBXGBQ-AWEZNQCLSA-N 0 1 312.435 1.202 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2ccncc2)C1 ZINC000616653822 362770651 /nfs/dbraw/zinc/77/06/51/362770651.db2.gz LMDDPPQEGULIFZ-CQSZACIVSA-N 0 1 306.410 1.553 10 0 DDAEMN Nc1ccc(Br)c(C(=O)NCCc2nc[nH]n2)c1 ZINC000080539786 192166229 /nfs/dbraw/zinc/16/62/29/192166229.db2.gz CCWABZTZIOWMGT-UHFFFAOYSA-N 0 1 310.155 1.122 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CCO1 ZINC000262865811 186315754 /nfs/dbraw/zinc/31/57/54/186315754.db2.gz LVLADIXLAABAKV-QGZVFWFLSA-N 0 1 318.417 1.393 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174070851 198288398 /nfs/dbraw/zinc/28/83/98/198288398.db2.gz FCRNKLXNDUXVPJ-JKSUJKDBSA-N 0 1 312.841 1.762 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000174091143 198289929 /nfs/dbraw/zinc/28/99/29/198289929.db2.gz RMVKBDNHRQDQMU-KRWDZBQOSA-N 0 1 319.449 1.034 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)n[nH]1 ZINC000111089007 353964507 /nfs/dbraw/zinc/96/45/07/353964507.db2.gz KBQQJYBTVRZEIN-ZDUSSCGKSA-N 0 1 303.366 1.100 10 0 DDAEMN CN1CCN(c2ccc(CO)c(NC3CCOCC3)c2)CC1 ZINC000144858632 354155361 /nfs/dbraw/zinc/15/53/61/354155361.db2.gz VMMMYBOZMXKJMU-UHFFFAOYSA-N 0 1 305.422 1.522 10 0 DDAEMN Cc1n[nH]c(CNC2CC2)c1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113762 193161516 /nfs/dbraw/zinc/16/15/16/193161516.db2.gz XEHZDDAUSXULLE-UWVGGRQHSA-N 0 1 312.439 1.247 10 0 DDAEMN CNCc1c(C)oc(C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113465 193161941 /nfs/dbraw/zinc/16/19/41/193161941.db2.gz NEMBSGFDOFMSDE-UWVGGRQHSA-N 0 1 300.424 1.892 10 0 DDAEMN O=C([C@H]1CSc2ccccc21)N1CCCN(CCO)CC1 ZINC000092238878 193178032 /nfs/dbraw/zinc/17/80/32/193178032.db2.gz WWOQNRQNFAWEHH-AWEZNQCLSA-N 0 1 306.431 1.403 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000093585283 193270091 /nfs/dbraw/zinc/27/00/91/193270091.db2.gz QHSLKVCSFKBYTD-DYVFJYSZSA-N 0 1 305.422 1.844 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093833798 193314764 /nfs/dbraw/zinc/31/47/64/193314764.db2.gz KFDVSLUZFDUSQK-CABZTGNLSA-N 0 1 316.199 1.858 10 0 DDAEMN CN[C@@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301135 193359041 /nfs/dbraw/zinc/35/90/41/193359041.db2.gz DMCSYVAZTBMPEQ-SECBINFHSA-N 0 1 303.453 1.221 10 0 DDAEMN Nc1cc(Br)ccc1C(=O)NCCc1nc[nH]n1 ZINC000094046431 193341518 /nfs/dbraw/zinc/34/15/18/193341518.db2.gz ZABXTMPPLRJSGF-UHFFFAOYSA-N 0 1 310.155 1.122 10 0 DDAEMN CC(C)NCc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644059 193389723 /nfs/dbraw/zinc/38/97/23/193389723.db2.gz YUQIKYGANYUZBS-VXGBXAGGSA-N 0 1 300.428 1.304 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@@H](N2CCC3(CC2)OCCO3)C1 ZINC000094679973 193391365 /nfs/dbraw/zinc/39/13/65/193391365.db2.gz MFTJOHOEMLQPLZ-OLZOCXBDSA-N 0 1 303.424 1.181 10 0 DDAEMN Cc1ccsc1C(=O)N1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000040508311 183085934 /nfs/dbraw/zinc/08/59/34/183085934.db2.gz VAPHPRXRJGWUET-GFCCVEGCSA-N 0 1 307.419 1.093 10 0 DDAEMN Nc1ccc2[nH]c(S(=O)(=O)CCc3ccccn3)nc2c1 ZINC000042192861 183240691 /nfs/dbraw/zinc/24/06/91/183240691.db2.gz JCSMUHYPTBGGJP-UHFFFAOYSA-N 0 1 302.359 1.557 10 0 DDAEMN Nc1ccc2nc(S(=O)(=O)CCc3ccccn3)[nH]c2c1 ZINC000042192861 183240692 /nfs/dbraw/zinc/24/06/92/183240692.db2.gz JCSMUHYPTBGGJP-UHFFFAOYSA-N 0 1 302.359 1.557 10 0 DDAEMN C[C@@H]1CCC[C@](N)(c2nc3c(s2)CS(=O)(=O)CC3)C1 ZINC000042332494 183255354 /nfs/dbraw/zinc/25/53/54/183255354.db2.gz KUIKPJVJOMGVDI-NOZJJQNGSA-N 0 1 300.449 1.978 10 0 DDAEMN O=C(NCCc1cccc(O)c1)N1CCN2CCCC[C@H]2C1 ZINC000105230183 194086612 /nfs/dbraw/zinc/08/66/12/194086612.db2.gz YMRAABPVLAOEFC-HNNXBMFYSA-N 0 1 303.406 1.814 10 0 DDAEMN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C)CC1 ZINC000105317792 194096914 /nfs/dbraw/zinc/09/69/14/194096914.db2.gz QYAYUASIURPRSG-CYBMUJFWSA-N 0 1 313.442 1.844 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(=O)OC)co2)CCN1C[C@@H](C)O ZINC000105827971 194136844 /nfs/dbraw/zinc/13/68/44/194136844.db2.gz HYPAXRAMFJAQGT-OCCSQVGLSA-N 0 1 310.394 1.343 10 0 DDAEMN Cc1cnn(C[C@@H]2CN(CCCCCn3cccn3)CCO2)c1 ZINC000105892970 194160133 /nfs/dbraw/zinc/16/01/33/194160133.db2.gz KIBZYJRPBUVISE-KRWDZBQOSA-N 0 1 317.437 1.959 10 0 DDAEMN COCCCNC(=O)[C@H](C)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105895543 194162095 /nfs/dbraw/zinc/16/20/95/194162095.db2.gz HJHGNJFYRUXLKK-GJZGRUSLSA-N 0 1 322.453 1.715 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)cc1F ZINC000105932591 194172367 /nfs/dbraw/zinc/17/23/67/194172367.db2.gz YVSYGVJPQPJKQM-TZMCWYRMSA-N 0 1 309.385 1.381 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000109464620 194265690 /nfs/dbraw/zinc/26/56/90/194265690.db2.gz GHXXVLMKURLOHQ-STQMWFEESA-N 0 1 313.467 1.155 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000109460309 194266116 /nfs/dbraw/zinc/26/61/16/194266116.db2.gz DNLWFQXIINZEIM-ZDUSSCGKSA-N 0 1 309.435 1.719 10 0 DDAEMN [O-]c1ccc(C[NH2+]CCN2CCOCC2)cc1Br ZINC000057901552 184061738 /nfs/dbraw/zinc/06/17/38/184061738.db2.gz XQPJRDVVDQEDJJ-UHFFFAOYSA-N 0 1 315.211 1.577 10 0 DDAEMN COCCNCc1cc(Cl)cc(Cl)c1OCC(N)=O ZINC000062732996 184251596 /nfs/dbraw/zinc/25/15/96/184251596.db2.gz QPKHTDIHTSJZLT-UHFFFAOYSA-N 0 1 307.177 1.594 10 0 DDAEMN CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000062935844 184261337 /nfs/dbraw/zinc/26/13/37/184261337.db2.gz XPUTXPVTOVTESY-AWEZNQCLSA-N 0 1 311.407 1.070 10 0 DDAEMN COCCc1nc([C@H]2CCCN(C(=O)c3ccco3)C2)n[nH]1 ZINC000065287048 184321725 /nfs/dbraw/zinc/32/17/25/184321725.db2.gz JQIOIBLRTHGRAM-NSHDSACASA-N 0 1 304.350 1.606 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2C)C1 ZINC000066218329 184397260 /nfs/dbraw/zinc/39/72/60/184397260.db2.gz XDXLKPXDPHOFPI-ZDUSSCGKSA-N 0 1 319.405 1.543 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000158035322 197238288 /nfs/dbraw/zinc/23/82/88/197238288.db2.gz JPDQOSNGROPNLP-CYBMUJFWSA-N 0 1 313.361 1.165 10 0 DDAEMN COCC[N@H+]1C[C@H]2CN(Cc3ccoc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247885204 257115441 /nfs/dbraw/zinc/11/54/41/257115441.db2.gz RGNUUMAMHLPFLC-NVXWUHKLSA-N 0 1 322.405 1.525 10 0 DDAEMN O=C(N[C@@H]1CN(Cc2ccccc2)[C@H]2CCCO[C@@H]12)C1CC1 ZINC000247442852 257119238 /nfs/dbraw/zinc/11/92/38/257119238.db2.gz XTDHXOSAOXIPQX-IKGGRYGDSA-N 0 1 300.402 1.945 10 0 DDAEMN Nc1nc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000008015701 406774308 /nfs/dbraw/zinc/77/43/08/406774308.db2.gz GDGMENHVKZAMJX-UHFFFAOYSA-N 0 1 307.162 1.668 10 0 DDAEMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035018985 406967099 /nfs/dbraw/zinc/96/70/99/406967099.db2.gz YJKXBNYVSIKXDL-NWDGAFQWSA-N 0 1 312.435 1.655 10 0 DDAEMN Cc1cnc(CNCc2cn(CCC(N)=O)c3ccccc23)cn1 ZINC000055307287 407201068 /nfs/dbraw/zinc/20/10/68/407201068.db2.gz FNJGFGJMBVOLAC-UHFFFAOYSA-N 0 1 323.400 1.905 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccccc2OCCOC)CC1 ZINC000123585601 407333336 /nfs/dbraw/zinc/33/33/36/407333336.db2.gz RLRIBDCAKGKCKA-KRWDZBQOSA-N 0 1 322.449 1.600 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C(C)C)on3)CCO2)n[nH]1 ZINC000123079589 407318286 /nfs/dbraw/zinc/31/82/86/407318286.db2.gz UZELTPIFFIYGGV-LBPRGKRZSA-N 0 1 305.338 1.438 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000122654345 407307493 /nfs/dbraw/zinc/30/74/93/407307493.db2.gz KSJFPNGDEKMBLF-GXTWGEPZSA-N 0 1 320.437 1.634 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3cccc(C)n3)CCO2)n[nH]1 ZINC000124288538 407353090 /nfs/dbraw/zinc/35/30/90/407353090.db2.gz HOIRNLCMSOITSP-LLVKDONJSA-N 0 1 316.365 1.676 10 0 DDAEMN Cc1noc(CCNC(=O)[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000106912730 407366152 /nfs/dbraw/zinc/36/61/52/407366152.db2.gz HLENGWYVFDVZPB-CQSZACIVSA-N 0 1 302.378 1.210 10 0 DDAEMN CNC(=O)c1ccc(C[N@H+]2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000109005445 407393634 /nfs/dbraw/zinc/39/36/34/407393634.db2.gz KFCWUXAVENXFNI-AWEZNQCLSA-N 0 1 305.422 1.199 10 0 DDAEMN CNC(=O)c1ccc(CN2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000109005445 407393635 /nfs/dbraw/zinc/39/36/35/407393635.db2.gz KFCWUXAVENXFNI-AWEZNQCLSA-N 0 1 305.422 1.199 10 0 DDAEMN O=C(NCCCc1ccccn1)N1CCN2CCCC[C@@H]2C1 ZINC000178414353 407449315 /nfs/dbraw/zinc/44/93/15/407449315.db2.gz XAPWTNHLUSPNGS-MRXNPFEDSA-N 0 1 302.422 1.894 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000170873654 407541786 /nfs/dbraw/zinc/54/17/86/407541786.db2.gz PUBIORRVLXYKEM-SNVBAGLBSA-N 0 1 306.790 1.804 10 0 DDAEMN C[C@H](NCC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000171112435 407600781 /nfs/dbraw/zinc/60/07/81/407600781.db2.gz XGHVWENNRCWRSB-ZETCQYMHSA-N 0 1 309.313 1.787 10 0 DDAEMN c1snnc1CNCc1n[nH]c(COc2ccccc2)n1 ZINC000186474786 407676438 /nfs/dbraw/zinc/67/64/38/407676438.db2.gz LGSTXKDJODBBQJ-UHFFFAOYSA-N 0 1 302.363 1.525 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000262237733 407772874 /nfs/dbraw/zinc/77/28/74/407772874.db2.gz RESXGSILFFKRID-SNVBAGLBSA-N 0 1 307.375 1.731 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000262298365 407787123 /nfs/dbraw/zinc/78/71/23/407787123.db2.gz NQAYCWWETPUQRN-CQSZACIVSA-N 0 1 319.430 1.518 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000262337832 407804027 /nfs/dbraw/zinc/80/40/27/407804027.db2.gz SHGNYXTUZWFJDN-CYBMUJFWSA-N 0 1 302.378 1.710 10 0 DDAEMN CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCN1CCOC ZINC000117308366 407825634 /nfs/dbraw/zinc/82/56/34/407825634.db2.gz OEQVPPQZUWHGHD-CVEARBPZSA-N 0 1 312.454 1.905 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccccc2C)C1 ZINC000262863352 407957837 /nfs/dbraw/zinc/95/78/37/407957837.db2.gz ZVEWNKMSIXDJQO-UHFFFAOYSA-N 0 1 318.417 1.981 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)COCc2ccccc2)C1 ZINC000262861092 407958143 /nfs/dbraw/zinc/95/81/43/407958143.db2.gz ZJFYMTGRHKVXME-UHFFFAOYSA-N 0 1 320.389 1.257 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C ZINC000245422337 407973882 /nfs/dbraw/zinc/97/38/82/407973882.db2.gz PKUFEXSWWARRFZ-OLZOCXBDSA-N 0 1 301.390 1.695 10 0 DDAEMN CC[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCN1CCOC ZINC000181688870 408027651 /nfs/dbraw/zinc/02/76/51/408027651.db2.gz JJGVGDVQEKVMPH-HZPDHXFCSA-N 0 1 300.443 1.572 10 0 DDAEMN C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000263148474 408039290 /nfs/dbraw/zinc/03/92/90/408039290.db2.gz HGLSJAXSNWHYBG-JHJVBQTASA-N 0 1 320.393 1.615 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccc(F)cc3)CCO2)n[nH]1 ZINC000175294733 408100216 /nfs/dbraw/zinc/10/02/16/408100216.db2.gz JROPOUQCYDLHIX-ZDUSSCGKSA-N 0 1 319.340 1.535 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1OC ZINC000175396255 408121066 /nfs/dbraw/zinc/12/10/66/408121066.db2.gz DADFHZWPECGGJD-CYBMUJFWSA-N 0 1 312.435 1.800 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2ccc(F)cn2)C1 ZINC000263464187 408145683 /nfs/dbraw/zinc/14/56/83/408145683.db2.gz WGYKGNZLRZZAML-UHFFFAOYSA-N 0 1 321.352 1.278 10 0 DDAEMN CC(C)C[C@H](C)OCCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246201414 408176028 /nfs/dbraw/zinc/17/60/28/408176028.db2.gz RAQODWJNCDKXOQ-PMPSAXMXSA-N 0 1 314.470 1.741 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3ccccn3)CCO2)n[nH]1 ZINC000151106249 408255644 /nfs/dbraw/zinc/25/56/44/408255644.db2.gz SDCPAYNDLGCVFA-LBPRGKRZSA-N 0 1 316.365 1.045 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000122150246 408256911 /nfs/dbraw/zinc/25/69/11/408256911.db2.gz XFBFCSMBMOXEBO-SNVBAGLBSA-N 0 1 304.362 1.598 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190280329 408210251 /nfs/dbraw/zinc/21/02/51/408210251.db2.gz IUSALYAPMPOFDD-KBPBESRZSA-N 0 1 320.418 1.697 10 0 DDAEMN CC[C@@H]1CN([C@@H](C(=O)OC)c2cccnc2)CCN1CCOC ZINC000246305844 408212262 /nfs/dbraw/zinc/21/22/62/408212262.db2.gz AVKGCEKENVNIAA-HZPDHXFCSA-N 0 1 321.421 1.338 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246309512 408217018 /nfs/dbraw/zinc/21/70/18/408217018.db2.gz CJQQFSOVJAOEKT-XYPHTWIQSA-N 0 1 308.397 1.512 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(CCOC)[C@@H](C)C1 ZINC000246510456 408277848 /nfs/dbraw/zinc/27/78/48/408277848.db2.gz ZYLUVNWSHQAUEZ-ZDUSSCGKSA-N 0 1 324.421 1.781 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)C[C@H]1C ZINC000246834166 408350458 /nfs/dbraw/zinc/35/04/58/408350458.db2.gz UAELGPWWETVHBE-OLZOCXBDSA-N 0 1 310.825 1.796 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000136309070 162117520 /nfs/dbraw/zinc/11/75/20/162117520.db2.gz LRFFBDQZCQPIJE-CYBMUJFWSA-N 0 1 324.425 1.734 10 0 DDAEMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246828434 408351471 /nfs/dbraw/zinc/35/14/71/408351471.db2.gz CQLPNLJKEASGGK-ZACQAIPSSA-N 0 1 323.481 1.430 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2C)CCN1C[C@H](C)O ZINC000246899181 408361104 /nfs/dbraw/zinc/36/11/04/408361104.db2.gz PJYJZPZQCLKZKO-RDJZCZTQSA-N 0 1 304.434 1.841 10 0 DDAEMN CCNC(=O)NC(=O)CN(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246839993 408353697 /nfs/dbraw/zinc/35/36/97/408353697.db2.gz CKBQZSLFHSOTPJ-QWHCGFSZSA-N 0 1 311.426 1.502 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000246875607 408357717 /nfs/dbraw/zinc/35/77/17/408357717.db2.gz FRNBKGUDTSKPNU-DZGCQCFKSA-N 0 1 316.449 1.999 10 0 DDAEMN O=S(=O)(c1cc(F)c(F)cc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171770807 162241940 /nfs/dbraw/zinc/24/19/40/162241940.db2.gz DHOVQXWSJFVLOL-SECBINFHSA-N 0 1 320.336 1.573 10 0 DDAEMN O=S(=O)(c1cc(F)c(F)cc1F)N1CCN2CCC[C@@H]2C1 ZINC000171770807 162241943 /nfs/dbraw/zinc/24/19/43/162241943.db2.gz DHOVQXWSJFVLOL-SECBINFHSA-N 0 1 320.336 1.573 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCC2CCOCC2)CCN1CCOC ZINC000173550809 162348964 /nfs/dbraw/zinc/34/89/64/162348964.db2.gz FKMAOEOZCMEQFX-MRXNPFEDSA-N 0 1 312.454 1.762 10 0 DDAEMN CCOc1cccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173550431 162349638 /nfs/dbraw/zinc/34/96/38/162349638.db2.gz OVNFRBQDBXVTBY-CQSZACIVSA-N 0 1 316.361 1.726 10 0 DDAEMN CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000247021178 408391385 /nfs/dbraw/zinc/39/13/85/408391385.db2.gz PECGFVZTVLTGCC-KBPBESRZSA-N 0 1 311.426 1.454 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)COc2ccccc2)C[C@H]1C ZINC000247083823 408403296 /nfs/dbraw/zinc/40/32/96/408403296.db2.gz HDVOKDGAASWCMS-SJORKVTESA-N 0 1 322.449 1.469 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(F)cc3)CCO2)n[nH]1 ZINC000176936400 408478955 /nfs/dbraw/zinc/47/89/55/408478955.db2.gz OOJDNVPXFWTRFA-GFCCVEGCSA-N 0 1 305.313 1.858 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCO2)n[nH]1 ZINC000176936386 408479312 /nfs/dbraw/zinc/47/93/12/408479312.db2.gz OOJDNVPXFWTRFA-LBPRGKRZSA-N 0 1 305.313 1.858 10 0 DDAEMN c1cn(-c2ccc(CN3CCC[C@@H](n4cncn4)C3)cn2)cn1 ZINC000177123040 408525539 /nfs/dbraw/zinc/52/55/39/408525539.db2.gz VJPFXDGPTBGDMG-OAHLLOKOSA-N 0 1 309.377 1.696 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2ccccc2C)C[C@@H]1C ZINC000247390498 408462253 /nfs/dbraw/zinc/46/22/53/408462253.db2.gz XBIFGEVFEJJJJB-DLBZAZTESA-N 0 1 322.449 1.387 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(OC)cs3)CCO2)n[nH]1 ZINC000176923792 408478110 /nfs/dbraw/zinc/47/81/10/408478110.db2.gz KEJMPMCFOVHATA-JTQLQIEISA-N 0 1 322.390 1.651 10 0 DDAEMN O=C1O[C@@H](C[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC12CCC2 ZINC000248831997 408642762 /nfs/dbraw/zinc/64/27/62/408642762.db2.gz IOQGASQTLXRDTK-ZIAGYGMSSA-N 0 1 304.394 1.476 10 0 DDAEMN COc1ccccc1CN[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275695806 408650239 /nfs/dbraw/zinc/65/02/39/408650239.db2.gz XESKECOJRAFFDU-CQSZACIVSA-N 0 1 314.389 1.949 10 0 DDAEMN Cc1ccc(C)c(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000249197551 408705405 /nfs/dbraw/zinc/70/54/05/408705405.db2.gz QIVMVANOFKJHRZ-HUUCEWRRSA-N 0 1 315.417 1.937 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000177753196 408700962 /nfs/dbraw/zinc/70/09/62/408700962.db2.gz FWJIDXYBZMMFLN-IXDOHACOSA-N 0 1 321.465 1.327 10 0 DDAEMN C[C@H]1CC[C@@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000162907119 408743195 /nfs/dbraw/zinc/74/31/95/408743195.db2.gz ILBYCECYBDWBBR-NKWVEPMBSA-N 0 1 319.146 1.975 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000252466393 408795138 /nfs/dbraw/zinc/79/51/38/408795138.db2.gz YIPQHLBPPGRSHE-QMTHXVAHSA-N 0 1 318.389 1.972 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188154391 163043045 /nfs/dbraw/zinc/04/30/45/163043045.db2.gz CPMZKYYQUJVXCM-CFVMTHIKSA-N 0 1 310.463 1.917 10 0 DDAEMN C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000188795987 163069951 /nfs/dbraw/zinc/06/99/51/163069951.db2.gz ZOZOQKASNCKAKI-GOEBONIOSA-N 0 1 310.438 1.372 10 0 DDAEMN CCS(=O)(=O)CCCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190557771 163146145 /nfs/dbraw/zinc/14/61/45/163146145.db2.gz NIDZRPGDOGRGOY-LSDHHAIUSA-N 0 1 302.484 1.760 10 0 DDAEMN O=C(CNC(=O)c1cccc(F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195319621 163315992 /nfs/dbraw/zinc/31/59/92/163315992.db2.gz IQJBRHVIFJDHTN-OAHLLOKOSA-N 0 1 319.380 1.252 10 0 DDAEMN CN(C)S(=O)(=O)c1cccc(CN2CC[C@H](CCO)C2)c1 ZINC000227567520 163338774 /nfs/dbraw/zinc/33/87/74/163338774.db2.gz GFAJHNMRUBKZSZ-CYBMUJFWSA-N 0 1 312.435 1.141 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000262248975 163792599 /nfs/dbraw/zinc/79/25/99/163792599.db2.gz ILTCVGPPQBODSJ-NVXWUHKLSA-N 0 1 313.401 1.764 10 0 DDAEMN C[C@H]1NC(=O)CC[C@H]1NCc1cccc(O)c1Br ZINC000315452977 409844006 /nfs/dbraw/zinc/84/40/06/409844006.db2.gz QYUNXZFOGLREET-PSASIEDQSA-N 0 1 313.195 1.911 10 0 DDAEMN Cc1sc2ncnc(NCC(=O)N3CCNCC3)c2c1C ZINC000037716306 418414944 /nfs/dbraw/zinc/41/49/44/418414944.db2.gz BHFVTVAPRULAFS-UHFFFAOYSA-N 0 1 305.407 1.152 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000375079934 418599997 /nfs/dbraw/zinc/59/99/97/418599997.db2.gz JDOXVWWSXYLTOQ-BFQNTYOBSA-N 0 1 304.394 1.063 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000375079934 418600000 /nfs/dbraw/zinc/60/00/00/418600000.db2.gz JDOXVWWSXYLTOQ-BFQNTYOBSA-N 0 1 304.394 1.063 10 0 DDAEMN O[C@@]1(c2cn[nH]n2)CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000583617365 422201082 /nfs/dbraw/zinc/20/10/82/422201082.db2.gz BFXXJNXIPOCACY-INIZCTEOSA-N 0 1 316.361 1.060 10 0 DDAEMN O=C(C=C(C1CC1)C1CC1)N1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617727 422203289 /nfs/dbraw/zinc/20/32/89/422203289.db2.gz JLTVBBXKPYSYLG-INIZCTEOSA-N 0 1 302.378 1.361 10 0 DDAEMN CN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)C1CC1 ZINC000630657491 422247476 /nfs/dbraw/zinc/24/74/76/422247476.db2.gz MQAQFFAARQSDEN-GJZGRUSLSA-N 0 1 302.374 1.725 10 0 DDAEMN CN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)C1CC1 ZINC000630657491 422247479 /nfs/dbraw/zinc/24/74/79/422247479.db2.gz MQAQFFAARQSDEN-GJZGRUSLSA-N 0 1 302.374 1.725 10 0 DDAEMN CCCCOC[C@H](O)CNCc1c(Br)cnn1C ZINC000634725989 422593880 /nfs/dbraw/zinc/59/38/80/422593880.db2.gz ISLXVDJMLXNVFC-SNVBAGLBSA-N 0 1 320.231 1.450 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cc(F)ccc1F ZINC000105932574 274249393 /nfs/dbraw/zinc/24/93/93/274249393.db2.gz DZEGMBPWZGOFNN-ZYHUDNBSSA-N 0 1 313.348 1.212 10 0 DDAEMN CN(C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000121944752 276777170 /nfs/dbraw/zinc/77/71/70/276777170.db2.gz MUPGBKKASSMMAA-AVGNSLFASA-N 0 1 311.426 1.310 10 0 DDAEMN CC(=O)N1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)[O-])C[C@@H]1CCC[N@H+]12 ZINC000101284542 278077844 /nfs/dbraw/zinc/07/78/44/278077844.db2.gz AIFOAGOOAFZRLZ-BNLOLNQZSA-N 0 1 314.341 1.344 10 0 DDAEMN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)noc1C ZINC000173726070 281194852 /nfs/dbraw/zinc/19/48/52/281194852.db2.gz CAKGCMGEXPUXJQ-QWHCGFSZSA-N 0 1 313.423 1.539 10 0 DDAEMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCN2CCC[C@H]2C1 ZINC000249403012 290240702 /nfs/dbraw/zinc/24/07/02/290240702.db2.gz VQKOJBALTFCATC-HIFRSBDPSA-N 0 1 308.447 1.931 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2CCn3cncc3C2)n[nH]1 ZINC000328667743 293362818 /nfs/dbraw/zinc/36/28/18/293362818.db2.gz DRSYOZFNBFEABM-JSGCOSHPSA-N 0 1 314.393 1.626 10 0 DDAEMN CCOc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170873523 298223872 /nfs/dbraw/zinc/22/38/72/298223872.db2.gz ACZQUSWNISCVOP-CYBMUJFWSA-N 0 1 312.435 1.718 10 0 DDAEMN Cc1cc(CN2CC[C@@](O)(Cn3ccnn3)C2)ccc1Cl ZINC000671492184 485075893 /nfs/dbraw/zinc/07/58/93/485075893.db2.gz BYLIAQBAJJSGKO-HNNXBMFYSA-N 0 1 306.797 1.877 10 0 DDAEMN CC1(C)Cc2cccc(S(=O)(=O)NCCc3nc[nH]n3)c2O1 ZINC000328685792 527778894 /nfs/dbraw/zinc/77/88/94/527778894.db2.gz XTUFTRVVOFOOCI-UHFFFAOYSA-N 0 1 322.390 1.039 10 0 DDAEMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)/C=C/c1ccccc1 ZINC000106895536 696628326 /nfs/dbraw/zinc/62/83/26/696628326.db2.gz ZKJQJBRXOLGYED-NRUITVPNSA-N 0 1 323.462 1.213 10 0 DDAEMN COCCN1[C@H](C)CN(Cc2nnc(C3CC3)n2C)C[C@@H]1C ZINC000129354778 696787829 /nfs/dbraw/zinc/78/78/29/696787829.db2.gz HFDTVGXIVMWICA-BETUJISGSA-N 0 1 307.442 1.234 10 0 DDAEMN CNC(=O)[C@H](NCc1cc(=O)oc2cc(OC)ccc12)C(C)C ZINC000183644474 697491132 /nfs/dbraw/zinc/49/11/32/697491132.db2.gz BWZSGECYKPZAKQ-MRXNPFEDSA-N 0 1 318.373 1.662 10 0 DDAEMN O=C(C1CN([C@@H]2CCOC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000896849095 708163626 /nfs/dbraw/zinc/16/36/26/708163626.db2.gz AGGINRSCHJGTES-HUUCEWRRSA-N 0 1 304.394 1.184 10 0 DDAEMN CO[C@@H]1CN(Cc2cnn(CC(C)C)c2)C[C@H]1c1c[nH]nn1 ZINC000886079727 708694267 /nfs/dbraw/zinc/69/42/67/708694267.db2.gz YIWGYUCSMHEYQW-DZGCQCFKSA-N 0 1 304.398 1.272 10 0 DDAEMN CNC(=O)C[C@@]1(O)CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000886085526 708695266 /nfs/dbraw/zinc/69/52/66/708695266.db2.gz TUDHKERLQFBHFC-KRWDZBQOSA-N 0 1 320.437 1.461 10 0 DDAEMN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2[nH]nc(C)c2C)cn1 ZINC000886093453 708696975 /nfs/dbraw/zinc/69/69/75/708696975.db2.gz SKSZCTBMKHRYGA-SWLSCSKDSA-N 0 1 317.393 1.751 10 0 DDAEMN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3nn[nH]n3)cc2n1C ZINC000900395883 709575311 /nfs/dbraw/zinc/57/53/11/709575311.db2.gz LPYREPAMXDYDAF-GFCCVEGCSA-N 0 1 311.349 1.372 10 0 DDAEMN CCc1csc([C@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)n1 ZINC000910732893 710058831 /nfs/dbraw/zinc/05/88/31/710058831.db2.gz FXINDXZFHMXIKM-IUCAKERBSA-N 0 1 305.407 1.806 10 0 DDAEMN CCc1csc([C@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)n1 ZINC000910732893 710058836 /nfs/dbraw/zinc/05/88/36/710058836.db2.gz FXINDXZFHMXIKM-IUCAKERBSA-N 0 1 305.407 1.806 10 0 DDAEMN C[C@@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(F)nc1 ZINC000930426479 713832095 /nfs/dbraw/zinc/83/20/95/713832095.db2.gz LNWZKHKOLCDOOE-NSODJVPESA-N 0 1 317.368 1.577 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCOC(C)C)CCN1C[C@H](C)O ZINC000248454328 282084290 /nfs/dbraw/zinc/08/42/90/282084290.db2.gz LTPSTUNJZOGNDL-GJZGRUSLSA-N 0 1 300.443 1.495 10 0 DDAEMN CCc1nsc(N2CCC([N@H+]3CCC[C@@H]3C(=O)[O-])CC2)n1 ZINC000087633429 185229706 /nfs/dbraw/zinc/22/97/06/185229706.db2.gz YRINSPIZNHMSSC-LLVKDONJSA-N 0 1 310.423 1.618 10 0 DDAEMN COC1(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000154781334 539207026 /nfs/dbraw/zinc/20/70/26/539207026.db2.gz CBLJGHVPTXGKIK-MRXNPFEDSA-N 0 1 320.433 1.471 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1[C@@H]1CCCNC1=O ZINC000087837408 185233152 /nfs/dbraw/zinc/23/31/52/185233152.db2.gz QLIHMIBGGZAPPF-SECBINFHSA-N 0 1 309.167 1.832 10 0 DDAEMN Cc1ccc([C@H](C)NCC(=O)N[C@H](C)C(=O)N(C)C)cc1F ZINC000181342283 539237874 /nfs/dbraw/zinc/23/78/74/539237874.db2.gz JPCITSYGRUBFFZ-NWDGAFQWSA-N 0 1 309.385 1.378 10 0 DDAEMN COc1ccc(Br)c(NC(=O)[C@]2(N)CCOC2)c1 ZINC000088321189 185245372 /nfs/dbraw/zinc/24/53/72/185245372.db2.gz GVUYJRJLWNFLNJ-LBPRGKRZSA-N 0 1 315.167 1.514 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@H](c1ccccc1)C(C)C)C(C)C ZINC000183669135 539242864 /nfs/dbraw/zinc/24/28/64/539242864.db2.gz YGJNDFWRSZIEKM-DLBZAZTESA-N 0 1 319.449 1.860 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCCOCC2)o1 ZINC000088550667 185257412 /nfs/dbraw/zinc/25/74/12/185257412.db2.gz GSIQPLMGAXXIGQ-UHFFFAOYSA-N 0 1 302.396 1.189 10 0 DDAEMN CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(CNC)o1 ZINC000088544359 185256683 /nfs/dbraw/zinc/25/66/83/185256683.db2.gz MVOZTINTPKOBPA-QWRGUYRKSA-N 0 1 302.396 1.187 10 0 DDAEMN CCN(Cc1cccs1)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088887144 185269344 /nfs/dbraw/zinc/26/93/44/185269344.db2.gz FIBXOLHFMGQOOK-UHFFFAOYSA-N 0 1 315.420 1.483 10 0 DDAEMN Cc1noc(C)c1CNS(=O)(=O)c1ccc(CN)s1 ZINC000092339927 185313000 /nfs/dbraw/zinc/31/30/00/185313000.db2.gz XLOSTZGDFYYISR-UHFFFAOYSA-N 0 1 301.393 1.290 10 0 DDAEMN Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@H]1CC[N@H+](C)C1 ZINC000092557049 185325732 /nfs/dbraw/zinc/32/57/32/185325732.db2.gz HDNXBZQOAGNJSB-JTQLQIEISA-N 0 1 306.391 1.793 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1NC ZINC000092672933 185332866 /nfs/dbraw/zinc/33/28/66/185332866.db2.gz KYUJAFKPWXTOSJ-CYBMUJFWSA-N 0 1 311.451 1.833 10 0 DDAEMN C[C@@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1ccccc1Cl ZINC000092781406 185340516 /nfs/dbraw/zinc/34/05/16/185340516.db2.gz FNVQCCCRIUJKGU-RNCFNFMXSA-N 0 1 304.781 1.955 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1ccccc1Cl ZINC000092781403 185340628 /nfs/dbraw/zinc/34/06/28/185340628.db2.gz FNVQCCCRIUJKGU-ZANVPECISA-N 0 1 304.781 1.955 10 0 DDAEMN COc1cc2nc([C@@H](C)N3CCN(C)CC3)[nH]c2cc1OC ZINC000071675632 191004966 /nfs/dbraw/zinc/00/49/66/191004966.db2.gz YTPYBHVAAPOBIH-LLVKDONJSA-N 0 1 304.394 1.889 10 0 DDAEMN O[C@H]1COCC[C@H]1NCc1ccc(F)cc1Br ZINC000623766771 366045024 /nfs/dbraw/zinc/04/50/24/366045024.db2.gz LSYJOXHATQVYGY-NEPJUHHUSA-N 0 1 304.159 1.828 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cccnc3)C2=O)n(C)n1 ZINC000174344709 198322111 /nfs/dbraw/zinc/32/21/11/198322111.db2.gz RGAUNOPCCJYYFQ-ZFWWWQNUSA-N 0 1 313.405 1.970 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3cccnc3)C2=O)n(C)n1 ZINC000174344733 198322183 /nfs/dbraw/zinc/32/21/83/198322183.db2.gz RGAUNOPCCJYYFQ-HIFRSBDPSA-N 0 1 313.405 1.970 10 0 DDAEMN COC(=O)CCN1CCN(Cc2nccn2C(C)C)[C@@H](C)C1 ZINC000182104736 199387270 /nfs/dbraw/zinc/38/72/70/199387270.db2.gz MMPPFGHFMFGHNS-AWEZNQCLSA-N 0 1 308.426 1.533 10 0 DDAEMN CCc1nnc2n1CCN(C1CN(CCc3cccs3)C1)C2 ZINC000328647624 354559407 /nfs/dbraw/zinc/55/94/07/354559407.db2.gz UCYRQQSGHJIRDW-UHFFFAOYSA-N 0 1 317.462 1.645 10 0 DDAEMN Cn1c2cc(S(=O)(=O)Nc3ccccn3)ccc2oc1=O ZINC000074946161 191393978 /nfs/dbraw/zinc/39/39/78/191393978.db2.gz VHFRCWFAQXSQET-UHFFFAOYSA-N 0 1 305.315 1.327 10 0 DDAEMN O=C([O-])[C@H]1CCCCC[N@@H+]1CC(=O)NCCc1cccs1 ZINC000080992820 192210676 /nfs/dbraw/zinc/21/06/76/192210676.db2.gz VERDPNCZFBSTOH-CYBMUJFWSA-N 0 1 310.419 1.736 10 0 DDAEMN O=C([O-])[C@H]1CCCCC[N@H+]1CC(=O)NCCc1cccs1 ZINC000080992820 192210678 /nfs/dbraw/zinc/21/06/78/192210678.db2.gz VERDPNCZFBSTOH-CYBMUJFWSA-N 0 1 310.419 1.736 10 0 DDAEMN CNc1ncc(S(=O)(=O)NCCN2CCCC2)cc1Cl ZINC000081695057 192313905 /nfs/dbraw/zinc/31/39/05/192313905.db2.gz MGCGJEPWNOMVKL-UHFFFAOYSA-N 0 1 318.830 1.151 10 0 DDAEMN C[C@@H](NC(=O)C[NH+]1CC(CC(=O)[O-])C1)c1ccccc1Cl ZINC000081744438 192319583 /nfs/dbraw/zinc/31/95/83/192319583.db2.gz MQORLTMREAGNFN-SNVBAGLBSA-N 0 1 310.781 1.924 10 0 DDAEMN COCCNCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000237243160 202202264 /nfs/dbraw/zinc/20/22/64/202202264.db2.gz MTEZCVOMKYXISV-UHFFFAOYSA-N 0 1 322.796 1.759 10 0 DDAEMN COc1cc(OC)c(CNC(=O)c2coc(CN)c2)c(OC)c1 ZINC000187428857 200111196 /nfs/dbraw/zinc/11/11/96/200111196.db2.gz DDBGACDWIRKTCA-UHFFFAOYSA-N 0 1 320.345 1.694 10 0 DDAEMN N[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000237815831 202361440 /nfs/dbraw/zinc/36/14/40/202361440.db2.gz DJFCLWHNKFITKI-INIZCTEOSA-N 0 1 312.373 1.557 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000195178724 201353104 /nfs/dbraw/zinc/35/31/04/201353104.db2.gz OFMPCWGRKSMNNO-SJLPKXTDSA-N 0 1 321.465 1.938 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)NC2CCCC2)CC1 ZINC000091488149 193063445 /nfs/dbraw/zinc/06/34/45/193063445.db2.gz BRHXOYFHIZSKCI-UHFFFAOYSA-N 0 1 315.508 1.529 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850545 193317360 /nfs/dbraw/zinc/31/73/60/193317360.db2.gz MEQZVOPEJCJCTM-HZMBPMFUSA-N 0 1 310.423 1.520 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093850574 193318987 /nfs/dbraw/zinc/31/89/87/193318987.db2.gz JYUNHUVNIGVUKD-GXFFZTMASA-N 0 1 311.411 1.303 10 0 DDAEMN CCc1nn(CC)c(C[C@@H](O)[C@@H]2CN(C)CCN2C)c1Cl ZINC000093893703 193323505 /nfs/dbraw/zinc/32/35/05/193323505.db2.gz OUXNKPRLSAUHRN-UONOGXRCSA-N 0 1 314.861 1.268 10 0 DDAEMN CCN1CCO[C@H](c2noc(-c3csc([C@@H](C)N)n3)n2)C1 ZINC000093897180 193325274 /nfs/dbraw/zinc/32/52/74/193325274.db2.gz UCGVHBHQQURLHJ-SCZZXKLOSA-N 0 1 309.395 1.606 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)c1csc(/C=C/C(=O)[O-])c1 ZINC000093977438 193334022 /nfs/dbraw/zinc/33/40/22/193334022.db2.gz LNVGETLVRDGIHM-ONEGZZNKSA-N 0 1 312.391 1.154 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)N(C)CCN(C)C)cc1N ZINC000094639249 193388272 /nfs/dbraw/zinc/38/82/72/193388272.db2.gz FBXFPLHYIFVVSA-UHFFFAOYSA-N 0 1 305.831 1.413 10 0 DDAEMN C[C@@H]1CN2CCCC[C@@H]2CN1c1nc(Cl)nc(N(C)C)n1 ZINC000094442770 193369585 /nfs/dbraw/zinc/36/95/85/193369585.db2.gz PBVLLRCRVJDORV-GHMZBOCLSA-N 0 1 310.833 1.654 10 0 DDAEMN CC[C@H]1CN2CCCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094433326 193370235 /nfs/dbraw/zinc/37/02/35/193370235.db2.gz FYQDXOFATMXVSO-DZGCQCFKSA-N 0 1 300.468 1.512 10 0 DDAEMN COC(=O)[C@@H]1CS[C@@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000019364712 182119000 /nfs/dbraw/zinc/11/90/00/182119000.db2.gz NONQXKSFECDTES-GOEBONIOSA-N 0 1 306.431 1.857 10 0 DDAEMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN2CCC[C@H]2C1 ZINC000249403014 296230916 /nfs/dbraw/zinc/23/09/16/296230916.db2.gz VQKOJBALTFCATC-ZFWWWQNUSA-N 0 1 308.447 1.931 10 0 DDAEMN Cc1cccc(N)c1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000040771186 183131694 /nfs/dbraw/zinc/13/16/94/183131694.db2.gz YGTQVXIYCDTQGG-UHFFFAOYSA-N 0 1 311.451 1.587 10 0 DDAEMN C[C@@H](NCc1ccc(Br)cc1)C(=O)NC(N)=O ZINC000042240112 183245723 /nfs/dbraw/zinc/24/57/23/183245723.db2.gz RIXSPYANXVEOSO-SSDOTTSWSA-N 0 1 300.156 1.122 10 0 DDAEMN CCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1 ZINC000042782339 183308270 /nfs/dbraw/zinc/30/82/70/183308270.db2.gz HTDTYTQTLVKYAK-UHFFFAOYSA-N 0 1 302.343 1.780 10 0 DDAEMN CO[C@H]1C[C@@H](C(N)=O)N(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000284483802 218046411 /nfs/dbraw/zinc/04/64/11/218046411.db2.gz FRFKHAFEBXONJG-KBPBESRZSA-N 0 1 300.362 1.151 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000105825229 194138398 /nfs/dbraw/zinc/13/83/98/194138398.db2.gz HDSMXMUQBKXLJS-CZUORRHYSA-N 0 1 323.412 1.541 10 0 DDAEMN CC[C@H]1CN(Cc2nc(CCC(C)C)no2)CCN1C[C@@H](C)O ZINC000105827771 194138782 /nfs/dbraw/zinc/13/87/82/194138782.db2.gz YVCOTOGEDKLOEG-CABCVRRESA-N 0 1 324.469 1.935 10 0 DDAEMN CCOCCN1CCN(CC(=O)N2CCCCC2)C[C@H]1CC ZINC000105837797 194144760 /nfs/dbraw/zinc/14/47/60/194144760.db2.gz PGEZHQWKIYLEON-MRXNPFEDSA-N 0 1 311.470 1.432 10 0 DDAEMN Cc1ccc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105882981 194155246 /nfs/dbraw/zinc/15/52/46/194155246.db2.gz MTRXDLFGHGQPNS-OAHLLOKOSA-N 0 1 313.405 1.937 10 0 DDAEMN COC(=O)c1cccc(CN2CCC[C@H](n3cncn3)C2)c1 ZINC000105897983 194161554 /nfs/dbraw/zinc/16/15/54/194161554.db2.gz UPKPDLDLNXHTIB-HNNXBMFYSA-N 0 1 300.362 1.902 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105932728 194173487 /nfs/dbraw/zinc/17/34/87/194173487.db2.gz BVANXKADGWRJJC-LSDHHAIUSA-N 0 1 305.422 1.551 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)OC)o2)C[C@H]1CC ZINC000106119230 194188062 /nfs/dbraw/zinc/18/80/62/194188062.db2.gz MPWXZVMVSMXUOD-CQSZACIVSA-N 0 1 324.421 1.999 10 0 DDAEMN Cc1cc(OCCN[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000053559556 183906086 /nfs/dbraw/zinc/90/60/86/183906086.db2.gz QILHDJTUNGROCN-NSHDSACASA-N 0 1 303.811 1.804 10 0 DDAEMN COCCN(C)CCN[C@@H](c1cccs1)c1nccn1C ZINC000061376684 184169727 /nfs/dbraw/zinc/16/97/27/184169727.db2.gz IKMJVIHCPVBCSP-AWEZNQCLSA-N 0 1 308.451 1.739 10 0 DDAEMN CNC(=O)COc1c(Cl)cc(Cl)cc1CNCCOC ZINC000062733000 184251465 /nfs/dbraw/zinc/25/14/65/184251465.db2.gz SIEBYCZZIAMSIC-UHFFFAOYSA-N 0 1 321.204 1.854 10 0 DDAEMN Cc1cc(C)c(S(=O)(=O)NOCCN2CCCC2)c(C)c1 ZINC000062578384 184244467 /nfs/dbraw/zinc/24/44/67/184244467.db2.gz PNWZISVNOYGLER-UHFFFAOYSA-N 0 1 312.435 1.918 10 0 DDAEMN Nc1n[nH]cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062655918 184246593 /nfs/dbraw/zinc/24/65/93/184246593.db2.gz ZGKYIFMSGGDQBG-UHFFFAOYSA-N 0 1 324.259 1.951 10 0 DDAEMN CN(C)C[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CCO1 ZINC000116796301 194771211 /nfs/dbraw/zinc/77/12/11/194771211.db2.gz ILZJPUAFXYEOJK-OAHLLOKOSA-N 0 1 304.390 1.439 10 0 DDAEMN COCCn1cc2c(n1)[C@@H](CNCc1ccc(C)o1)OCC2 ZINC000096086884 257135609 /nfs/dbraw/zinc/13/56/09/257135609.db2.gz CBJGBYMJESZMBZ-OAHLLOKOSA-N 0 1 305.378 1.835 10 0 DDAEMN CCOCCONC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000184766586 286104951 /nfs/dbraw/zinc/10/49/51/286104951.db2.gz TWLFZGHCWOCLSZ-UKRRQHHQSA-N 0 1 324.352 1.429 10 0 DDAEMN CNC(=O)[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1 ZINC000170929426 407558046 /nfs/dbraw/zinc/55/80/46/407558046.db2.gz RDGFWJIBVOWSIP-HOTGVXAUSA-N 0 1 306.406 1.165 10 0 DDAEMN O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1CC1CC1 ZINC000008698721 406793717 /nfs/dbraw/zinc/79/37/17/406793717.db2.gz CTYLSEGZQOFUMN-OAHLLOKOSA-N 0 1 318.373 1.804 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2F)C1 ZINC000048841563 407109727 /nfs/dbraw/zinc/10/97/27/407109727.db2.gz BFOVBXZSKMVJHC-SNVBAGLBSA-N 0 1 304.362 1.727 10 0 DDAEMN O=S(=O)([N-]CC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000095073361 407206252 /nfs/dbraw/zinc/20/62/52/407206252.db2.gz WOSYLMPDTSNLHE-UHFFFAOYSA-N 0 1 311.432 1.574 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1csc(=O)[nH]1 ZINC000122881362 407313397 /nfs/dbraw/zinc/31/33/97/407313397.db2.gz AKTOONNISRUDJK-ZDUSSCGKSA-N 0 1 305.403 1.226 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(F)c(F)cc2F)CC1 ZINC000123607396 407334569 /nfs/dbraw/zinc/33/45/69/407334569.db2.gz OYEBQFXJLKVHNF-LBPRGKRZSA-N 0 1 302.340 1.992 10 0 DDAEMN Cc1n[nH]cc1CCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106914099 407366480 /nfs/dbraw/zinc/36/64/80/407366480.db2.gz YUZFRLLWOITSSS-QGZVFWFLSA-N 0 1 314.433 1.940 10 0 DDAEMN O=C(CN1CC[C@@H](CNc2ccccn2)C1)NCC1CCC1 ZINC000108858376 407392025 /nfs/dbraw/zinc/39/20/25/407392025.db2.gz IEMQTXBOYIDCQL-HNNXBMFYSA-N 0 1 302.422 1.732 10 0 DDAEMN CC[C@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)CCN1CCOC ZINC000109005476 407393883 /nfs/dbraw/zinc/39/38/83/407393883.db2.gz CYBWOSSQHOEYAN-KRWDZBQOSA-N 0 1 319.449 1.589 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000170873758 407540598 /nfs/dbraw/zinc/54/05/98/407540598.db2.gz KKAPDAOUFGXVGM-QMMMGPOBSA-N 0 1 308.325 1.429 10 0 DDAEMN CCC[C@@H](C(=O)OCC)N1CCN(CCOC)[C@H](CC)C1 ZINC000114802855 407618229 /nfs/dbraw/zinc/61/82/29/407618229.db2.gz JDHXRTCIFAOPRX-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN Cn1cc(CN2CCCN(Cc3cnc(N)s3)CC2)cn1 ZINC000262002412 407708928 /nfs/dbraw/zinc/70/89/28/407708928.db2.gz LKHDIZLFFCLOJR-UHFFFAOYSA-N 0 1 306.439 1.167 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000262038640 407720869 /nfs/dbraw/zinc/72/08/69/407720869.db2.gz FXYAUCZEDOBENV-DOMZBBRYSA-N 0 1 308.378 1.245 10 0 DDAEMN CCN(CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)C1CC1 ZINC000179164935 407740046 /nfs/dbraw/zinc/74/00/46/407740046.db2.gz PMHBCFQKYQEOQX-LBPRGKRZSA-N 0 1 305.426 1.317 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000262322428 407799258 /nfs/dbraw/zinc/79/92/58/407799258.db2.gz QNPKZZFNEDCRTC-HNNXBMFYSA-N 0 1 316.405 1.967 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H](C)CCOC)C[C@@H]1CC ZINC000117042506 407807156 /nfs/dbraw/zinc/80/71/56/407807156.db2.gz WGWNTNCIUYHMAK-GJZGRUSLSA-N 0 1 315.458 1.554 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000262354783 407809737 /nfs/dbraw/zinc/80/97/37/407809737.db2.gz UWEPCSCGFDDFSN-GFCCVEGCSA-N 0 1 307.394 1.892 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000262380679 407818858 /nfs/dbraw/zinc/81/88/58/407818858.db2.gz XTUZLJBEAVYLNX-VXGBXAGGSA-N 0 1 313.195 1.526 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccccn2)CCN1CCOC ZINC000117308130 407827417 /nfs/dbraw/zinc/82/74/17/407827417.db2.gz INBCMXUAVJEVJK-MRXNPFEDSA-N 0 1 305.422 1.583 10 0 DDAEMN CCOc1ccc(Br)cc1NC(=O)[C@@H](N)COC ZINC000262579560 407872259 /nfs/dbraw/zinc/87/22/59/407872259.db2.gz UGWFXPGWGCCFAL-VIFPVBQESA-N 0 1 317.183 1.760 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cnc(CC)s3)CCO2)n[nH]1 ZINC000173564845 407888380 /nfs/dbraw/zinc/88/83/80/407888380.db2.gz UVPGDKYDTYOUPK-SECBINFHSA-N 0 1 321.406 1.600 10 0 DDAEMN O=C([N-]CCC[NH+]1CCC(Cn2cccn2)CC1)C(F)(F)F ZINC000180619420 407905302 /nfs/dbraw/zinc/90/53/02/407905302.db2.gz ZZXHGEDOXYUJMS-UHFFFAOYSA-N 0 1 318.343 1.664 10 0 DDAEMN COC[C@H](C)CC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262719564 407907606 /nfs/dbraw/zinc/90/76/06/407907606.db2.gz OXZGIMCMSYPXNU-LMWSTFAQSA-N 0 1 312.410 1.103 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC(C2CC2)C2CC2)C1 ZINC000262916552 407969115 /nfs/dbraw/zinc/96/91/15/407969115.db2.gz FEHFJBLDTIJKBZ-UHFFFAOYSA-N 0 1 309.410 1.412 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)ccc2C)C1 ZINC000262769840 407923148 /nfs/dbraw/zinc/92/31/48/407923148.db2.gz HDMREQFOAULJAD-UHFFFAOYSA-N 0 1 304.390 1.971 10 0 DDAEMN C[C@H](O)CN1CCN([C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C ZINC000246051889 408129208 /nfs/dbraw/zinc/12/92/08/408129208.db2.gz WCWGCLGUEYRVOT-ZOBUZTSGSA-N 0 1 317.433 1.179 10 0 DDAEMN CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N[C@@H](C)C(=O)[O-])n1 ZINC000263403714 408130346 /nfs/dbraw/zinc/13/03/46/408130346.db2.gz JYYDJJMESPLMDI-DMDPSCGWSA-N 0 1 308.382 1.977 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@@H]1C ZINC000246080272 408136695 /nfs/dbraw/zinc/13/66/95/408136695.db2.gz GYFZKWKEXYKPFD-RYUDHWBXSA-N 0 1 319.380 1.834 10 0 DDAEMN COc1ccc([C@@H](C)C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000263443107 408140976 /nfs/dbraw/zinc/14/09/76/408140976.db2.gz XCGLAOKWGJMXRA-QWHCGFSZSA-N 0 1 322.405 1.710 10 0 DDAEMN CCn1nccc1CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263511877 408162189 /nfs/dbraw/zinc/16/21/89/408162189.db2.gz NPRSKIZRTVGDQN-UHFFFAOYSA-N 0 1 306.410 1.320 10 0 DDAEMN Cc1ccc2nc(CN3C[C@@H](C)[C@@H](N4CCOCC4)C3)cn2c1 ZINC000246205750 408175439 /nfs/dbraw/zinc/17/54/39/408175439.db2.gz XOUXZWHTWGSLFA-WBVHZDCISA-N 0 1 314.433 1.795 10 0 DDAEMN COC(=O)[C@@H](c1cccnc1)N1CCC(c2ccn[nH]2)CC1 ZINC000157985910 408324038 /nfs/dbraw/zinc/32/40/38/408324038.db2.gz YOLCYMDLMPXDGO-OAHLLOKOSA-N 0 1 300.362 1.898 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000173461120 162340686 /nfs/dbraw/zinc/34/06/86/162340686.db2.gz QAUHCWPCKLUDHK-HOTGVXAUSA-N 0 1 313.486 1.268 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)NC3CCC(C)CC3)CCO2)n[nH]1 ZINC000173661031 162353127 /nfs/dbraw/zinc/35/31/27/162353127.db2.gz HLMRXZCBOULEEU-UXUKBGGZSA-N 0 1 321.425 1.181 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nc(CCC(C)C)no3)CCO2)n[nH]1 ZINC000173658746 162353352 /nfs/dbraw/zinc/35/33/52/162353352.db2.gz NXOUOFSNILEYAF-LBPRGKRZSA-N 0 1 320.397 1.658 10 0 DDAEMN Cc1nc([C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n[nH]1 ZINC000173734430 162360737 /nfs/dbraw/zinc/36/07/37/162360737.db2.gz HEDUJSRRLMMZCN-CYBMUJFWSA-N 0 1 322.390 1.016 10 0 DDAEMN CCCC[C@@H](C(=O)OC)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247083091 408401625 /nfs/dbraw/zinc/40/16/25/408401625.db2.gz HCRNANXEIZONOT-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(CCOC)[C@@H](C)C1 ZINC000247495968 408480589 /nfs/dbraw/zinc/48/05/89/408480589.db2.gz HMYHRJXORINREB-RDJZCZTQSA-N 0 1 320.433 1.943 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2ccccc2C)C[C@@H]1C ZINC000247390508 408461540 /nfs/dbraw/zinc/46/15/40/408461540.db2.gz XBIFGEVFEJJJJB-IRXDYDNUSA-N 0 1 322.449 1.387 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CCN2CCCC[C@H]2C1)C1CC1 ZINC000248370983 408553236 /nfs/dbraw/zinc/55/32/36/408553236.db2.gz YDWHVCKGLDZGHX-PBHICJAKSA-N 0 1 305.466 1.946 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1N1CCOCC1 ZINC000177242383 408559905 /nfs/dbraw/zinc/55/99/05/408559905.db2.gz ZQIBIPQGGJDOTJ-CVEARBPZSA-N 0 1 309.454 1.042 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)C[C@@H]1CC ZINC000192584225 408613318 /nfs/dbraw/zinc/61/33/18/408613318.db2.gz DDUHBOJKXCGYGY-HRCADAONSA-N 0 1 312.454 1.618 10 0 DDAEMN CCCCCS(=O)(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000184597867 408651635 /nfs/dbraw/zinc/65/16/35/408651635.db2.gz AQFKXNXVQINXNJ-LLVKDONJSA-N 0 1 316.427 1.260 10 0 DDAEMN CCC[C@H](C(=O)Nc1cc(CSCCO)ccn1)N(C)C ZINC000162066478 408666869 /nfs/dbraw/zinc/66/68/69/408666869.db2.gz ZWQZGWPPWSDEAQ-CYBMUJFWSA-N 0 1 311.451 1.976 10 0 DDAEMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000249371743 408718768 /nfs/dbraw/zinc/71/87/68/408718768.db2.gz WZMHYVIDRXPCRS-CLROSIBMSA-N 0 1 320.433 1.242 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000252442873 408793192 /nfs/dbraw/zinc/79/31/92/408793192.db2.gz FBZUHJNUTOKEJI-QWHCGFSZSA-N 0 1 309.435 1.917 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CCn2ccnc2)CC1 ZINC000163021724 408754724 /nfs/dbraw/zinc/75/47/24/408754724.db2.gz VIQLPASWCMWJJW-UHFFFAOYSA-N 0 1 302.426 1.051 10 0 DDAEMN CC(C)CNC(=O)[C@@H](C)N1CC[C@H](CNc2ccccn2)C1 ZINC000195515826 163327235 /nfs/dbraw/zinc/32/72/35/163327235.db2.gz DPSYGPSBUPDVFY-HUUCEWRRSA-N 0 1 304.438 1.976 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000263005632 163902944 /nfs/dbraw/zinc/90/29/44/163902944.db2.gz NFVRUCRQCDKRQD-PNESKVBLSA-N 0 1 323.393 1.886 10 0 DDAEMN CC1(C)CN(C[C@@H](O)COCc2ccccc2)C[C@H](CO)O1 ZINC000309793080 164005166 /nfs/dbraw/zinc/00/51/66/164005166.db2.gz GEFIMRYOJZGDCL-HZPDHXFCSA-N 0 1 309.406 1.036 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000339987333 410597835 /nfs/dbraw/zinc/59/78/35/410597835.db2.gz FSWCVLKNQITIMR-VIFPVBQESA-N 0 1 315.215 1.397 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cc(C(N)=O)cs3)CCO2)n[nH]1 ZINC000129115188 196020870 /nfs/dbraw/zinc/02/08/70/196020870.db2.gz OVQRBYUPBACPOO-NSHDSACASA-N 0 1 321.406 1.101 10 0 DDAEMN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1nscc1Br ZINC000404803531 418772846 /nfs/dbraw/zinc/77/28/46/418772846.db2.gz LQLZALCVOWDDJD-MRVPVSSYSA-N 0 1 318.240 1.929 10 0 DDAEMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CC(=O)[O-] ZINC000635521448 422071490 /nfs/dbraw/zinc/07/14/90/422071490.db2.gz RMOSTAFISJKJTK-DZGCQCFKSA-N 0 1 319.405 1.481 10 0 DDAEMN CCN(CC)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630654818 422244197 /nfs/dbraw/zinc/24/41/97/422244197.db2.gz DOSGSMQXBFWUTC-CABCVRRESA-N 0 1 304.390 1.973 10 0 DDAEMN CCN(CC)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630654818 422244202 /nfs/dbraw/zinc/24/42/02/422244202.db2.gz DOSGSMQXBFWUTC-CABCVRRESA-N 0 1 304.390 1.973 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616602785 422515574 /nfs/dbraw/zinc/51/55/74/422515574.db2.gz QRFSFPXWKAZUHL-LBPRGKRZSA-N 0 1 309.414 1.899 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262308828 274049939 /nfs/dbraw/zinc/04/99/39/274049939.db2.gz OUHPXIZGSCHBPJ-OWCLPIDISA-N 0 1 306.406 1.553 10 0 DDAEMN CCc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105933584 281051498 /nfs/dbraw/zinc/05/14/98/281051498.db2.gz JESAPVFTRZULSA-XJKSGUPXSA-N 0 1 305.422 1.496 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCN1CCCC1=O ZINC000174235237 534890035 /nfs/dbraw/zinc/89/00/35/534890035.db2.gz UVPUOZRTLWYMNB-ZDUSSCGKSA-N 0 1 311.426 1.598 10 0 DDAEMN CC1(C)Cc2cccc(CN3CCC([C@@H](O)C(N)=O)CC3)c2O1 ZINC000299740905 527776920 /nfs/dbraw/zinc/77/69/20/527776920.db2.gz CCKCATQVBOQQBI-OAHLLOKOSA-N 0 1 318.417 1.458 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000174075415 697383855 /nfs/dbraw/zinc/38/38/55/697383855.db2.gz MDCHNOIRCQGDDS-ZWKOTPCHSA-N 0 1 306.450 1.725 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000183724257 697492331 /nfs/dbraw/zinc/49/23/31/697492331.db2.gz GRBIFANEZQIODQ-GUBZILKMSA-N 0 1 310.316 1.325 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000183730864 697492596 /nfs/dbraw/zinc/49/25/96/697492596.db2.gz FWZFCUMOBHUZGW-AXFHLTTASA-N 0 1 324.343 1.357 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H](C)COC[C@H]1C ZINC000183724276 697492602 /nfs/dbraw/zinc/49/26/02/697492602.db2.gz GRBIFANEZQIODQ-BBBLOLIVSA-N 0 1 310.316 1.325 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)c3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000246965253 698358400 /nfs/dbraw/zinc/35/84/00/698358400.db2.gz LKHKKTAUYNEPQN-ZIAGYGMSSA-N 0 1 324.331 1.498 10 0 DDAEMN COCc1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000248716298 698378721 /nfs/dbraw/zinc/37/87/21/698378721.db2.gz BMPABZZGISRVST-KGLIPLIRSA-N 0 1 321.421 1.752 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000261737861 698435437 /nfs/dbraw/zinc/43/54/37/698435437.db2.gz NTDKLFHMMYRMNC-PVUWLOKVSA-N 0 1 315.417 1.705 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000262220328 698459601 /nfs/dbraw/zinc/45/96/01/698459601.db2.gz FQXLRNCNFUPSIR-LDYMZIIASA-N 0 1 306.284 1.736 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262239825 698460653 /nfs/dbraw/zinc/46/06/53/698460653.db2.gz HQNFNPUZTRTUJY-QWRGUYRKSA-N 0 1 307.177 1.117 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262488480 698471378 /nfs/dbraw/zinc/47/13/78/698471378.db2.gz VUHYNQODKLUFAF-GFCCVEGCSA-N 0 1 313.442 1.161 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC3(C2)CCCCC3)C1 ZINC000263491985 698509796 /nfs/dbraw/zinc/50/97/96/698509796.db2.gz RLDFTZINPQXRHS-UHFFFAOYSA-N 0 1 323.437 1.900 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@@H](C)c2ccco2)C1 ZINC000263510130 698510963 /nfs/dbraw/zinc/51/09/63/698510963.db2.gz YNNGWAZFOHSVKG-HIFPTAJRSA-N 0 1 323.393 1.920 10 0 DDAEMN C[C@@H](Cc1ccccc1)CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263523682 698511680 /nfs/dbraw/zinc/51/16/80/698511680.db2.gz SGXCZWGZLSHPMK-RDJZCZTQSA-N 0 1 320.433 1.582 10 0 DDAEMN COC(=O)[C@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000309567036 698665252 /nfs/dbraw/zinc/66/52/52/698665252.db2.gz GQJNMHPQLUEUHA-HIFRSBDPSA-N 0 1 304.390 1.386 10 0 DDAEMN O=C(c1cc(Cl)ncc1Cl)N1CCC[C@H]1c1nn[nH]n1 ZINC000720620104 699306607 /nfs/dbraw/zinc/30/66/07/699306607.db2.gz WNXQBDMCODQBNP-QMMMGPOBSA-N 0 1 313.148 1.879 10 0 DDAEMN Cc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccn(C)c3C)C2)n1 ZINC000857343961 704582578 /nfs/dbraw/zinc/58/25/78/704582578.db2.gz RLMCJXLUGBBOHO-OUCADQQQSA-N 0 1 317.393 1.045 10 0 DDAEMN Cc1nnc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccn(C)c3C)C2)[nH]1 ZINC000857343961 704582579 /nfs/dbraw/zinc/58/25/79/704582579.db2.gz RLMCJXLUGBBOHO-OUCADQQQSA-N 0 1 317.393 1.045 10 0 DDAEMN CNc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2nn[nH]n2)c1 ZINC000900389071 709568253 /nfs/dbraw/zinc/56/82/53/709568253.db2.gz BTRXNCNVCINCJU-NSHDSACASA-N 0 1 306.757 1.872 10 0 DDAEMN COc1ccc2cc(C(=O)N3CCC[C@@H]3c3nn[nH]n3)[nH]c2c1 ZINC000900396851 709576175 /nfs/dbraw/zinc/57/61/75/709576175.db2.gz WBSRHWKORCEFCL-CYBMUJFWSA-N 0 1 312.333 1.667 10 0 DDAEMN O=C(c1cccc2nc(CO)[nH]c21)N1CCN2CCCC[C@H]2C1 ZINC000906437167 712324655 /nfs/dbraw/zinc/32/46/55/712324655.db2.gz OQSOYXHSTCKTGJ-LBPRGKRZSA-N 0 1 314.389 1.366 10 0 DDAEMN CC[C@H](CSC)NC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248504910 282088031 /nfs/dbraw/zinc/08/80/31/282088031.db2.gz VSMGPVNJWYHIPH-MJBXVCDLSA-N 0 1 317.499 1.615 10 0 DDAEMN CCCCOC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000248653819 282096733 /nfs/dbraw/zinc/09/67/33/282096733.db2.gz OUYRZDGQYHVHBB-ZBFHGGJFSA-N 0 1 324.421 1.538 10 0 DDAEMN CCCCOC[C@H](O)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000248653819 282096739 /nfs/dbraw/zinc/09/67/39/282096739.db2.gz OUYRZDGQYHVHBB-ZBFHGGJFSA-N 0 1 324.421 1.538 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)CCN1C ZINC000328640521 231277432 /nfs/dbraw/zinc/27/74/32/231277432.db2.gz XJRAKNUSFPSJMK-HNNXBMFYSA-N 0 1 324.388 1.425 10 0 DDAEMN O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000328672604 231301282 /nfs/dbraw/zinc/30/12/82/231301282.db2.gz OJZMZEOQEDTBCV-VXGBXAGGSA-N 0 1 305.382 1.800 10 0 DDAEMN COCc1nc(C2(C)CC2)[nH]c(=O)c1I ZINC000087548797 185227950 /nfs/dbraw/zinc/22/79/50/185227950.db2.gz CCJNUDOBDWIVFE-UHFFFAOYSA-N 0 1 320.130 1.572 10 0 DDAEMN CC[C@@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895114 185235470 /nfs/dbraw/zinc/23/54/70/185235470.db2.gz LBKIQVDRASNKBQ-MRVPVSSYSA-N 0 1 302.400 1.051 10 0 DDAEMN O=C1CNCCCN1Cc1cc(F)ccc1Br ZINC000087882167 185234355 /nfs/dbraw/zinc/23/43/55/185234355.db2.gz NFRMYGHGVBEQCZ-UHFFFAOYSA-N 0 1 301.159 1.910 10 0 DDAEMN Cc1cc(=O)[n-]c(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)n1 ZINC000088398307 185248344 /nfs/dbraw/zinc/24/83/44/185248344.db2.gz IDQIZBAIROMSQU-CHWSQXEVSA-N 0 1 305.403 1.101 10 0 DDAEMN CC[C@H](C(N)=S)S(=O)(=O)Nc1cc(OC)ccc1OC ZINC000088486994 185253486 /nfs/dbraw/zinc/25/34/86/185253486.db2.gz UKASODUORCOQIW-LLVKDONJSA-N 0 1 318.420 1.510 10 0 DDAEMN NCc1ccc(S(=O)(=O)NCc2ccccc2Cl)o1 ZINC000088542016 185256334 /nfs/dbraw/zinc/25/63/34/185256334.db2.gz DJRNNCPYAGIJML-UHFFFAOYSA-N 0 1 300.767 1.870 10 0 DDAEMN O=S(=O)(c1cccc(CO)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000088873250 185267670 /nfs/dbraw/zinc/26/76/70/185267670.db2.gz GIVHSGDAKRWAMZ-CQSZACIVSA-N 0 1 310.419 1.038 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1[C@H]1CCC(=O)NC1=O ZINC000090018295 185278350 /nfs/dbraw/zinc/27/83/50/185278350.db2.gz CXAGAXQUVFKTSM-QMMMGPOBSA-N 0 1 323.150 1.359 10 0 DDAEMN C[C@@](O)(CO)CNCc1cc2c(cc1Br)OCO2 ZINC000090284793 185289415 /nfs/dbraw/zinc/28/94/15/185289415.db2.gz AQIKENMNJMCSNF-LBPRGKRZSA-N 0 1 318.167 1.011 10 0 DDAEMN C[N@@H+](Cc1ccccc1OC(F)F)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388986 185293952 /nfs/dbraw/zinc/29/39/52/185293952.db2.gz CTWJHSJVVCZYLI-QWRGUYRKSA-N 0 1 301.289 1.819 10 0 DDAEMN COc1ccc(Cl)c(NC(=O)[C@@H]2Cc3nc[nH]c3CN2)c1 ZINC000092781867 185340192 /nfs/dbraw/zinc/34/01/92/185340192.db2.gz RTJYGJDXKSQZLR-LBPRGKRZSA-N 0 1 306.753 1.725 10 0 DDAEMN Cc1ccc(C[C@@H](C)NC(=O)[C@H]2Cc3nc[nH]c3CN2)s1 ZINC000092783259 185340782 /nfs/dbraw/zinc/34/07/82/185340782.db2.gz NIVYZHUBBDKDOY-NOZJJQNGSA-N 0 1 304.419 1.541 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1c1cnc[nH]1 ZINC000616646767 362767138 /nfs/dbraw/zinc/76/71/38/362767138.db2.gz AVRAYXUVDZOTCJ-CQSZACIVSA-N 0 1 307.375 1.562 10 0 DDAEMN CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CO[C@]12C[NH+]1CCC2CC1 ZINC000669379569 539561704 /nfs/dbraw/zinc/56/17/04/539561704.db2.gz FQOYHAOULCCFKT-ABAIWWIYSA-N 0 1 312.366 1.129 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N(C)C2CCN(C)CC2)cc1N ZINC000070484863 190900645 /nfs/dbraw/zinc/90/06/45/190900645.db2.gz QMINVZIPTVDREZ-UHFFFAOYSA-N 0 1 315.414 1.431 10 0 DDAEMN CS(=O)(=O)c1ccc([S@](=O)C[C@@H](N)c2ccccc2)cc1 ZINC000084055940 192398140 /nfs/dbraw/zinc/39/81/40/192398140.db2.gz FEVJEQKBBMAGHW-QRWLVFNGSA-N 0 1 323.439 1.898 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000139377589 186022157 /nfs/dbraw/zinc/02/21/57/186022157.db2.gz YDXIHODTPQODDF-CYBMUJFWSA-N 0 1 317.397 1.048 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCC(Cn2cccn2)CC1 ZINC000139377327 186022280 /nfs/dbraw/zinc/02/22/80/186022280.db2.gz QYNMYZKLALIIHC-UHFFFAOYSA-N 0 1 316.409 1.653 10 0 DDAEMN COCC(=O)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 ZINC000072384773 191143620 /nfs/dbraw/zinc/14/36/20/191143620.db2.gz SJOKYOZLXBNERN-LLVKDONJSA-N 0 1 314.349 1.320 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000173883263 198263655 /nfs/dbraw/zinc/26/36/55/198263655.db2.gz YIPQHLBPPGRSHE-YGRLFVJLSA-N 0 1 318.389 1.972 10 0 DDAEMN CC[C@@](C)(OC)c1ncc(I)c(=O)[nH]1 ZINC000159246841 354233117 /nfs/dbraw/zinc/23/31/17/354233117.db2.gz ZVANAJUTZUXYOE-SECBINFHSA-N 0 1 308.119 1.646 10 0 DDAEMN Cc1nnc([C@@H]2CN(C(=O)c3cc(CC(C)C)[nH]n3)CCO2)o1 ZINC000328615408 354546674 /nfs/dbraw/zinc/54/66/74/354546674.db2.gz YDNJHPWQEXXGNX-ZDUSSCGKSA-N 0 1 319.365 1.513 10 0 DDAEMN CCOc1cc(C)c(S(=O)(=O)NCCN(C)C)cc1C ZINC000074921848 191388343 /nfs/dbraw/zinc/38/83/43/191388343.db2.gz DVZVSRVJKAEHLO-UHFFFAOYSA-N 0 1 300.424 1.542 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccn1 ZINC000074932213 191389829 /nfs/dbraw/zinc/38/98/29/191389829.db2.gz WLFZIJONXIOXON-UHFFFAOYSA-N 0 1 317.370 1.710 10 0 DDAEMN CC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(N)=[NH2+] ZINC000079799096 191974410 /nfs/dbraw/zinc/97/44/10/191974410.db2.gz QKRFHBKQKSAXKL-LLVKDONJSA-N 0 1 309.313 1.487 10 0 DDAEMN CN(CC(=O)N1CCCC1)C[C@@H](C(N)=S)c1ccccc1 ZINC000080797154 192192004 /nfs/dbraw/zinc/19/20/04/192192004.db2.gz ZISHJPAZBQJQDX-CQSZACIVSA-N 0 1 305.447 1.611 10 0 DDAEMN CC(=O)c1csc(NS(=O)(=O)N2CCC(C)CC2)n1 ZINC000080835560 192193637 /nfs/dbraw/zinc/19/36/37/192193637.db2.gz BHJRZGMSBKEEOR-UHFFFAOYSA-N 0 1 303.409 1.734 10 0 DDAEMN NCc1occc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542712 192287297 /nfs/dbraw/zinc/28/72/97/192287297.db2.gz MWNMVYIRYOYNEL-UHFFFAOYSA-N 0 1 301.272 1.364 10 0 DDAEMN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H](N)c3ccccc3)C2)no1 ZINC000237772326 202351367 /nfs/dbraw/zinc/35/13/67/202351367.db2.gz MMWIGPMERFCHPS-BBRMVZONSA-N 0 1 314.389 1.859 10 0 DDAEMN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193410867 201047422 /nfs/dbraw/zinc/04/74/22/201047422.db2.gz CDSPXARQXFZPHS-CBAPKCEASA-N 0 1 308.325 1.380 10 0 DDAEMN CSC1(C(N)=S)CCN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000091489049 193063088 /nfs/dbraw/zinc/06/30/88/193063088.db2.gz WPINDTMHBFSXTB-LLVKDONJSA-N 0 1 317.524 1.631 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113508 193161367 /nfs/dbraw/zinc/16/13/67/193161367.db2.gz BWDYGXGLFJYOIW-NXEZZACHSA-N 0 1 300.428 1.104 10 0 DDAEMN Cc1n[nH]c(CNC2CC2)c1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113760 193161677 /nfs/dbraw/zinc/16/16/77/193161677.db2.gz XEHZDDAUSXULLE-AOOOYVTPSA-N 0 1 312.439 1.247 10 0 DDAEMN O=C([O-])CCN1CC[NH+](C[C@H]2CSc3ccccc32)CC1 ZINC000092289790 193185014 /nfs/dbraw/zinc/18/50/14/193185014.db2.gz ITDGKMDBTMNYIR-ZDUSSCGKSA-N 0 1 306.431 1.968 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093598410 193272260 /nfs/dbraw/zinc/27/22/60/193272260.db2.gz MXDODCOCJMVAIF-BXKDBHETSA-N 0 1 316.199 1.706 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780204 193307609 /nfs/dbraw/zinc/30/76/09/193307609.db2.gz WGVGTOHPPCUNIY-PRHODGIISA-N 0 1 316.452 1.509 10 0 DDAEMN CCN1CCC(NS(=O)(=O)c2c(C)cc(N)cc2C)CC1 ZINC000093648515 193283827 /nfs/dbraw/zinc/28/38/27/193283827.db2.gz NTAXDNHOMPGACI-UHFFFAOYSA-N 0 1 311.451 1.648 10 0 DDAEMN C[C@@H](Nc1nc2ccc(Br)cn2n1)c1nn[nH]n1 ZINC000094604990 193383505 /nfs/dbraw/zinc/38/35/05/193383505.db2.gz HMISBPSYRDMPNN-RXMQYKEDSA-N 0 1 309.131 1.178 10 0 DDAEMN CCC1(CC)CCN(S(=O)(=O)c2c(C)n[nH]c2CN)C1 ZINC000094815101 193399971 /nfs/dbraw/zinc/39/99/71/193399971.db2.gz CZKYRKRMKRXRSG-UHFFFAOYSA-N 0 1 300.428 1.378 10 0 DDAEMN [NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000021812203 182291987 /nfs/dbraw/zinc/29/19/87/182291987.db2.gz FNNWIISLQZOFOJ-UHFFFAOYSA-N 0 1 306.343 1.675 10 0 DDAEMN CNC(=O)CN1CCC(Cn2c(C)nc3ccccc32)CC1 ZINC000038535775 183001720 /nfs/dbraw/zinc/00/17/20/183001720.db2.gz ZIWDTMNHXQPMHK-UHFFFAOYSA-N 0 1 300.406 1.803 10 0 DDAEMN CCc1nc2n(n1)C(CC(=O)Nc1ccc(C)cc1F)C(=O)N2 ZINC000040375582 183057332 /nfs/dbraw/zinc/05/73/32/183057332.db2.gz PSXBGQGENAHKBE-LLVKDONJSA-N 0 1 317.324 1.810 10 0 DDAEMN CC(C)[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)s1)[NH+](C)C ZINC000040803524 183136215 /nfs/dbraw/zinc/13/62/15/183136215.db2.gz HRWAELPIMHDSCS-MRVPVSSYSA-N 0 1 311.860 1.661 10 0 DDAEMN Nc1cc(N)nc(SCC(=O)Nc2ccc(Cl)cc2N)n1 ZINC000041023420 183156460 /nfs/dbraw/zinc/15/64/60/183156460.db2.gz MUJFIQOBHXKLTF-UHFFFAOYSA-N 0 1 324.797 1.607 10 0 DDAEMN CNC(=O)[C@@H](C)NCc1ccc(OC)c(Br)c1 ZINC000042341890 183256562 /nfs/dbraw/zinc/25/65/62/183256562.db2.gz HMRISJKHPYOYCM-MRVPVSSYSA-N 0 1 301.184 1.682 10 0 DDAEMN O=C(NCCc1cccc(O)c1)N1CCN2CCCC[C@@H]2C1 ZINC000105230179 194087216 /nfs/dbraw/zinc/08/72/16/194087216.db2.gz YMRAABPVLAOEFC-OAHLLOKOSA-N 0 1 303.406 1.814 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105825987 194138000 /nfs/dbraw/zinc/13/80/00/194138000.db2.gz YGGUZTRVRUIJSJ-HZPDHXFCSA-N 0 1 313.486 1.412 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1C[C@@H](C)O ZINC000105825185 194138417 /nfs/dbraw/zinc/13/84/17/194138417.db2.gz GOYSUYLUABKQOL-CVEARBPZSA-N 0 1 313.486 1.409 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932584 194172207 /nfs/dbraw/zinc/17/22/07/194172207.db2.gz WTMISXDVWHIUPJ-JQWIXIFHSA-N 0 1 313.348 1.212 10 0 DDAEMN COc1ccc(CN2CCN(CC(N)=S)CC2)cc1OC ZINC000109442604 194263548 /nfs/dbraw/zinc/26/35/48/194263548.db2.gz DFVARRSMHPQFQV-UHFFFAOYSA-N 0 1 309.435 1.108 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2cscn2)CC1 ZINC000109465010 194266154 /nfs/dbraw/zinc/26/61/54/194266154.db2.gz TXTJRCRDHMZVCA-LLVKDONJSA-N 0 1 312.464 1.356 10 0 DDAEMN COCCNC(=O)CN(C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025271 183958204 /nfs/dbraw/zinc/95/82/04/183958204.db2.gz DRQPWOUAMWJJCF-ZDUSSCGKSA-N 0 1 309.435 1.098 10 0 DDAEMN CCc1cc(C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)sc1C ZINC000061144976 184163351 /nfs/dbraw/zinc/16/33/51/184163351.db2.gz NELTXKAUVORTOK-UHFFFAOYSA-N 0 1 310.419 1.851 10 0 DDAEMN COc1n[nH]c(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)n1 ZINC000299753600 533184722 /nfs/dbraw/zinc/18/47/22/533184722.db2.gz YTABVYOUCHXZTG-MRVPVSSYSA-N 0 1 304.354 1.403 10 0 DDAEMN Cc1noc(C)c1CN1C[C@H](C(=O)NC2CC2)C[C@@H]2OCC[C@@H]21 ZINC000248015163 257111809 /nfs/dbraw/zinc/11/18/09/257111809.db2.gz KDQNFGYZKOVWIG-KCXAZCMYSA-N 0 1 319.405 1.549 10 0 DDAEMN O=C(c1cccnc1-n1cccn1)N1CCN2CCCC[C@H]2C1 ZINC000071839839 406851742 /nfs/dbraw/zinc/85/17/42/406851742.db2.gz ZOCZETGQGMENHE-AWEZNQCLSA-N 0 1 311.389 1.578 10 0 DDAEMN CN1CCO[C@@H](CNCc2ccc(Br)cn2)C1 ZINC000078441498 407028412 /nfs/dbraw/zinc/02/84/12/407028412.db2.gz GNZZBXVARPTTNR-LBPRGKRZSA-N 0 1 300.200 1.264 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180164398 306694153 /nfs/dbraw/zinc/69/41/53/306694153.db2.gz HMFQJYRBEZJCIE-OAHLLOKOSA-N 0 1 308.470 1.606 10 0 DDAEMN CCCCC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818233 407355446 /nfs/dbraw/zinc/35/54/46/407355446.db2.gz YKIGANOCWHTLFE-INIZCTEOSA-N 0 1 311.470 1.430 10 0 DDAEMN CCCCC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105818233 407355448 /nfs/dbraw/zinc/35/54/48/407355448.db2.gz YKIGANOCWHTLFE-INIZCTEOSA-N 0 1 311.470 1.430 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H]2c2cnn(C)c2)n[nH]1 ZINC000124553106 407362051 /nfs/dbraw/zinc/36/20/51/407362051.db2.gz UUUJPBTXUSOIQN-NHYWBVRUSA-N 0 1 316.409 1.929 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000127223993 407431551 /nfs/dbraw/zinc/43/15/51/407431551.db2.gz SOVSSOCSJWZWAX-CYBMUJFWSA-N 0 1 322.405 1.966 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000112548500 407432259 /nfs/dbraw/zinc/43/22/59/407432259.db2.gz LGLMPLPBYBKMLU-RISCZKNCSA-N 0 1 311.813 1.587 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)c1n[nH]c3ccccc31)CC2 ZINC000114869305 407628456 /nfs/dbraw/zinc/62/84/56/407628456.db2.gz SXLYVJUENOGUQX-JTQLQIEISA-N 0 1 310.361 1.462 10 0 DDAEMN CCOC(=O)N1CCC([C@H](C)NCc2nnnn2C(C)C)CC1 ZINC000186432364 407666594 /nfs/dbraw/zinc/66/65/94/407666594.db2.gz SBWHUEXOSHPOGB-LBPRGKRZSA-N 0 1 324.429 1.601 10 0 DDAEMN NCC(=O)Nc1ccc(Cl)cc1I ZINC000232212165 407702195 /nfs/dbraw/zinc/70/21/95/407702195.db2.gz OJNCIOXZUQRGJK-UHFFFAOYSA-N 0 1 310.522 1.842 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(CCOCC)[C@@H](CC)C2)n[nH]1 ZINC000116767935 407774023 /nfs/dbraw/zinc/77/40/23/407774023.db2.gz PTVQQQSMDRKCEG-HNNXBMFYSA-N 0 1 322.453 1.935 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2ccncc2)C[C@H]1CC ZINC000116769946 407774359 /nfs/dbraw/zinc/77/43/59/407774359.db2.gz XQQRMKSGXZYPNA-QGZVFWFLSA-N 0 1 319.449 1.974 10 0 DDAEMN CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)ns3)C[C@@H]21 ZINC000153166412 407769192 /nfs/dbraw/zinc/76/91/92/407769192.db2.gz RSVQFQLUIIYAQT-QWHCGFSZSA-N 0 1 302.403 1.724 10 0 DDAEMN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCN2CCCC[C@@H]2C1 ZINC000171792456 407769253 /nfs/dbraw/zinc/76/92/53/407769253.db2.gz ZBMCNKQEUDSYMO-CQSZACIVSA-N 0 1 315.417 1.564 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279546 407781886 /nfs/dbraw/zinc/78/18/86/407781886.db2.gz LOYWYHZZFPJCSB-ZENOOKHLSA-N 0 1 321.421 1.208 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000262311908 407793950 /nfs/dbraw/zinc/79/39/50/407793950.db2.gz PDIMMUHZRTVNTH-ZDUSSCGKSA-N 0 1 302.334 1.490 10 0 DDAEMN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](N)COC)c1 ZINC000262300311 407787865 /nfs/dbraw/zinc/78/78/65/407787865.db2.gz NTWYPFNNESOOTA-RISCZKNCSA-N 0 1 307.394 1.261 10 0 DDAEMN CCOCCCNC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000117469189 407839219 /nfs/dbraw/zinc/83/92/19/407839219.db2.gz JWIFRIOAYMUJOE-AWEZNQCLSA-N 0 1 301.431 1.165 10 0 DDAEMN COCc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000180109214 407855736 /nfs/dbraw/zinc/85/57/36/407855736.db2.gz WZLJRTZGYDWYKU-OAHLLOKOSA-N 0 1 302.378 1.833 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ncccc2C)CCN1C[C@@H](C)O ZINC000173272596 407872154 /nfs/dbraw/zinc/87/21/54/407872154.db2.gz RKJFXWSYKQEODI-KGLIPLIRSA-N 0 1 306.410 1.699 10 0 DDAEMN CCOc1ccccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173522922 407885183 /nfs/dbraw/zinc/88/51/83/407885183.db2.gz HYOKKEDTCPYUDQ-AWEZNQCLSA-N 0 1 316.361 1.726 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H](C)SC)CCN1C[C@@H](C)O ZINC000182035487 408068425 /nfs/dbraw/zinc/06/84/25/408068425.db2.gz VJNYCMPQHDRRCB-JHJVBQTASA-N 0 1 303.472 1.225 10 0 DDAEMN Cc1ccc(N2CCCN([C@@H]3CCN(C(C)C)C3=O)CC2)nn1 ZINC000175186114 408069818 /nfs/dbraw/zinc/06/98/18/408069818.db2.gz YSNBINSENUJUFS-OAHLLOKOSA-N 0 1 317.437 1.306 10 0 DDAEMN CCOC(C)(C)CNC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263355511 408115854 /nfs/dbraw/zinc/11/58/54/408115854.db2.gz IVTRBFOYVKBKMG-UHFFFAOYSA-N 0 1 315.414 1.038 10 0 DDAEMN CCC1CCN(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)CC1 ZINC000263490498 408153527 /nfs/dbraw/zinc/15/35/27/408153527.db2.gz QZUYAUSWUHTYNQ-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN CCCN(CC1CC1)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263488468 408154005 /nfs/dbraw/zinc/15/40/05/408154005.db2.gz QFJINULHQFQGDT-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nccn3nc(C)cc23)C1 ZINC000263556957 408173073 /nfs/dbraw/zinc/17/30/73/408173073.db2.gz OZIDCIGLGCGNBU-UHFFFAOYSA-N 0 1 303.366 1.387 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ncccc3C)CCO2)n[nH]1 ZINC000175997277 408264040 /nfs/dbraw/zinc/26/40/40/408264040.db2.gz ISUMUZPNHVIUIO-LLVKDONJSA-N 0 1 302.338 1.422 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(Cl)cn2C)CCN1C[C@H](C)O ZINC000246749326 408329813 /nfs/dbraw/zinc/32/98/13/408329813.db2.gz GSHYQLOHMQFQMO-AAEUAGOBSA-N 0 1 313.829 1.596 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000183123367 408331741 /nfs/dbraw/zinc/33/17/41/408331741.db2.gz UDHMWRCANKHKPG-NEPJUHHUSA-N 0 1 303.366 1.770 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@H]2CCOC2)C[C@H]1CC ZINC000246577970 408296348 /nfs/dbraw/zinc/29/63/48/408296348.db2.gz VYRQARUKIUODKZ-JKSUJKDBSA-N 0 1 312.454 1.762 10 0 DDAEMN CCOC(=O)CCCCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000132981010 162049813 /nfs/dbraw/zinc/04/98/13/162049813.db2.gz BMHJSSWDYGDUAK-OAHLLOKOSA-N 0 1 309.410 1.626 10 0 DDAEMN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(C)noc1C ZINC000246816001 408347449 /nfs/dbraw/zinc/34/74/49/408347449.db2.gz CAKGCMGEXPUXJQ-OLZOCXBDSA-N 0 1 313.423 1.539 10 0 DDAEMN O[C@@H](CN1CC[C@@H](N2CCOCC2)C1)c1ccc(F)cc1F ZINC000246922576 408366535 /nfs/dbraw/zinc/36/65/35/408366535.db2.gz JCTBGLISPTWZRS-CJNGLKHVSA-N 0 1 312.360 1.405 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173354634 162334387 /nfs/dbraw/zinc/33/43/87/162334387.db2.gz CXNAICWGHSQHDW-GWCFXTLKSA-N 0 1 309.414 1.180 10 0 DDAEMN COc1ccccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173544368 162347018 /nfs/dbraw/zinc/34/70/18/162347018.db2.gz QXZMDZKKTNJCBJ-CYBMUJFWSA-N 0 1 302.334 1.335 10 0 DDAEMN Cc1cnn(CCCCCN2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173671231 162356395 /nfs/dbraw/zinc/35/63/95/162356395.db2.gz KRDMXKIOOFCKOA-HNNXBMFYSA-N 0 1 318.425 1.862 10 0 DDAEMN Cc1nc([C@@H]2CN(CCOc3cccc(F)c3)CCO2)n[nH]1 ZINC000173680157 162356439 /nfs/dbraw/zinc/35/64/39/162356439.db2.gz VZEZQPDLMGKQQL-AWEZNQCLSA-N 0 1 306.341 1.705 10 0 DDAEMN C[C@H](O)CN1CCN([C@H](C(=O)N(C)C)c2ccccc2)C[C@H]1C ZINC000247112939 408410110 /nfs/dbraw/zinc/41/01/10/408410110.db2.gz JBFBYFZLBCEHLQ-VYDXJSESSA-N 0 1 319.449 1.203 10 0 DDAEMN COCc1c(Br)cccc1NC(=O)[C@H](N)COC ZINC000159811542 408434777 /nfs/dbraw/zinc/43/47/77/408434777.db2.gz GDSPWGZIDUEPNW-SNVBAGLBSA-N 0 1 317.183 1.508 10 0 DDAEMN COc1ccc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000176940934 408480397 /nfs/dbraw/zinc/48/03/97/408480397.db2.gz SQJLAFFZYHLRBA-ZDUSSCGKSA-N 0 1 317.349 1.727 10 0 DDAEMN CC[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)CCN1C[C@H](C)O ZINC000248546187 408584895 /nfs/dbraw/zinc/58/48/95/408584895.db2.gz DRKQLJXZHWYOBU-QXAKKESOSA-N 0 1 320.477 1.757 10 0 DDAEMN CCCC[C@H](COC)NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248697708 408618909 /nfs/dbraw/zinc/61/89/09/408618909.db2.gz ZAZMIWYDAZFGNC-QLFBSQMISA-N 0 1 315.458 1.288 10 0 DDAEMN COC[C@@H]1CN(C[C@@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000251869412 408788623 /nfs/dbraw/zinc/78/86/23/408788623.db2.gz OXKMWAGHRGQOGQ-OIISXLGYSA-N 0 1 309.406 1.300 10 0 DDAEMN CSc1ccccc1NC(=O)CCN1CCCNC(=O)[C@H]1C ZINC000189316611 163095796 /nfs/dbraw/zinc/09/57/96/163095796.db2.gz QEJQWSURRXXBKG-GFCCVEGCSA-N 0 1 321.446 1.948 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccc(O)cc3)CCO2)n[nH]1 ZINC000134015832 196354406 /nfs/dbraw/zinc/35/44/06/196354406.db2.gz QXIFNZKNWCEWBR-ZDUSSCGKSA-N 0 1 316.361 1.215 10 0 DDAEMN CO[C@@H]1CCC[C@H](CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000375663508 418671221 /nfs/dbraw/zinc/67/12/21/418671221.db2.gz JVNBEJUIMRYBCG-BFHYXJOUSA-N 0 1 322.409 1.608 10 0 DDAEMN Cc1cncc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000302204461 230159317 /nfs/dbraw/zinc/15/93/17/230159317.db2.gz CPKRHUQJRQNPIY-INIZCTEOSA-N 0 1 319.453 1.016 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3cccc(O)c3)CCO2)n[nH]1 ZINC000492524567 420584702 /nfs/dbraw/zinc/58/47/02/420584702.db2.gz XZYFAJUWAAEMBZ-GXMNPTEKSA-N 0 1 314.345 1.432 10 0 DDAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccs1 ZINC000171699727 263346025 /nfs/dbraw/zinc/34/60/25/263346025.db2.gz ABVQBCVMMHCICB-STQMWFEESA-N 0 1 310.467 1.744 10 0 DDAEMN CN1c2cc(I)ccc2C(=O)CC1=O ZINC000238854938 276991536 /nfs/dbraw/zinc/99/15/36/276991536.db2.gz PRQFLCFUUHGWKW-UHFFFAOYSA-N 0 1 301.083 1.840 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cccc(OCC(=O)OC)c1)N(C)C ZINC000179635107 281837948 /nfs/dbraw/zinc/83/79/48/281837948.db2.gz BAWTVJGZEWJYOB-AWEZNQCLSA-N 0 1 308.378 1.907 10 0 DDAEMN CN(C)CC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176526451 282054977 /nfs/dbraw/zinc/05/49/77/282054977.db2.gz YQGSJJZKFUDMCL-CYBMUJFWSA-N 0 1 311.451 1.141 10 0 DDAEMN Cn1ccnc1[C@H]1CN(C(=O)c2cccc3[nH]cnc32)CCN1C ZINC000369521015 301192488 /nfs/dbraw/zinc/19/24/88/301192488.db2.gz RZMXTROOFUZXAC-CQSZACIVSA-N 0 1 324.388 1.425 10 0 DDAEMN CCNC(=O)c1ccc(=N[C@H](C)COCc2ccccc2)[nH]n1 ZINC000390670497 307293710 /nfs/dbraw/zinc/29/37/10/307293710.db2.gz ZJMYRPLSCGKPQA-CYBMUJFWSA-N 0 1 314.389 1.665 10 0 DDAEMN CN(C(=O)c1ccc(CN)o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000167890719 484088620 /nfs/dbraw/zinc/08/86/20/484088620.db2.gz AEOREFWMVHKXJK-LBPRGKRZSA-N 0 1 315.377 1.269 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000174075398 697383755 /nfs/dbraw/zinc/38/37/55/697383755.db2.gz MDCHNOIRCQGDDS-ROUUACIJSA-N 0 1 306.450 1.725 10 0 DDAEMN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CN2CCC1CC2 ZINC000222544868 697757615 /nfs/dbraw/zinc/75/76/15/697757615.db2.gz WFOUHUHIGDNGRK-SMDDNHRTSA-N 0 1 318.373 1.393 10 0 DDAEMN C[C@H](N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nnnn1C ZINC000248728602 698379307 /nfs/dbraw/zinc/37/93/07/698379307.db2.gz VHBMMWIAOOUVRL-SDDRHHMPSA-N 0 1 324.429 1.554 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000262241386 698460923 /nfs/dbraw/zinc/46/09/23/698460923.db2.gz HTSABINBLMNTDV-GXSJLCMTSA-N 0 1 320.311 1.563 10 0 DDAEMN CC[C@@H]1C[C@@H](C)CN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263473102 698508952 /nfs/dbraw/zinc/50/89/52/698508952.db2.gz LXHIYORXSXEXKQ-NELGMTEASA-N 0 1 311.426 1.754 10 0 DDAEMN CCNC(=O)c1ccc(NC2CC([N@@H+](CC)CC(=O)[O-])C2)nc1 ZINC000263561657 698513804 /nfs/dbraw/zinc/51/38/04/698513804.db2.gz SBALEMJTUDBKTG-UHFFFAOYSA-N 0 1 320.393 1.181 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])on1 ZINC000309896795 698669151 /nfs/dbraw/zinc/66/91/51/698669151.db2.gz NWWPFHMEFMFBDG-NSHDSACASA-N 0 1 317.345 1.623 10 0 DDAEMN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3[nH]cnc3c2F)N(C)C1 ZINC000897712564 708427730 /nfs/dbraw/zinc/42/77/30/708427730.db2.gz KMMNBDRFDRATPG-QWRGUYRKSA-N 0 1 320.368 1.493 10 0 DDAEMN CC(C)c1nsc(CN2CCC[C@@](O)(c3c[nH]nn3)C2)n1 ZINC000930392908 713823241 /nfs/dbraw/zinc/82/32/41/713823241.db2.gz WVTIHIVWYSQROZ-ZDUSSCGKSA-N 0 1 308.411 1.263 10 0 DDAEMN O=C([O-])[C@@H]1Cc2nc[nH]c2C[N@H+]1CCCOc1ccccc1 ZINC000095499778 185374597 /nfs/dbraw/zinc/37/45/97/185374597.db2.gz XWLVUQIUDZFQIC-HNNXBMFYSA-N 0 1 301.346 1.690 10 0 DDAEMN O=C([O-])[C@@H]1Cc2[nH]cnc2C[N@@H+]1CCCOc1ccccc1 ZINC000095499778 185374600 /nfs/dbraw/zinc/37/46/00/185374600.db2.gz XWLVUQIUDZFQIC-HNNXBMFYSA-N 0 1 301.346 1.690 10 0 DDAEMN O=C([O-])[C@@H]1Cc2[nH]cnc2C[N@H+]1CCCOc1ccccc1 ZINC000095499778 185374601 /nfs/dbraw/zinc/37/46/01/185374601.db2.gz XWLVUQIUDZFQIC-HNNXBMFYSA-N 0 1 301.346 1.690 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000081929881 192341476 /nfs/dbraw/zinc/34/14/76/192341476.db2.gz WHAMFVGPRUNQLH-ZDUSSCGKSA-N 0 1 313.419 1.789 10 0 DDAEMN CCCS(=O)(=O)C[C@H](NCC)c1ccc2c(c1)OCCO2 ZINC000081939419 192343260 /nfs/dbraw/zinc/34/32/60/192343260.db2.gz QHGHCYJANVRQIA-ZDUSSCGKSA-N 0 1 313.419 1.933 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081945159 192345468 /nfs/dbraw/zinc/34/54/68/192345468.db2.gz VEUCTEDBESMRSQ-AWEZNQCLSA-N 0 1 301.408 1.407 10 0 DDAEMN CNc1nc(CC(C)C)c(I)c(=O)[nH]1 ZINC000087522426 185227595 /nfs/dbraw/zinc/22/75/95/185227595.db2.gz NBPVKPJCIASWHU-UHFFFAOYSA-N 0 1 307.135 1.615 10 0 DDAEMN COC(=O)c1ccc(NS(=O)(=O)c2cccnc2N)cc1 ZINC000088070663 185238924 /nfs/dbraw/zinc/23/89/24/185238924.db2.gz RFNCMVVEYNUFCD-UHFFFAOYSA-N 0 1 307.331 1.251 10 0 DDAEMN CCNCc1nnnn1-c1ccc(Br)c(F)c1 ZINC000088085342 185239182 /nfs/dbraw/zinc/23/91/82/185239182.db2.gz BMFUWJIWBNZGHZ-UHFFFAOYSA-N 0 1 300.135 1.673 10 0 DDAEMN CC(C)NCc1nnnn1-c1c2nsnc2ccc1Cl ZINC000088127761 185240390 /nfs/dbraw/zinc/24/03/90/185240390.db2.gz VZEPMGJERMANTG-UHFFFAOYSA-N 0 1 309.786 1.818 10 0 DDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1[nH]nc2ccccc21 ZINC000088280692 185244557 /nfs/dbraw/zinc/24/45/57/185244557.db2.gz LXSNMRFNKJBZFO-CYBMUJFWSA-N 0 1 324.388 1.911 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)C(C)C ZINC000183653108 539242833 /nfs/dbraw/zinc/24/28/33/539242833.db2.gz KCYWPQFUPARMIH-SJORKVTESA-N 0 1 317.433 1.614 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](NC)c1cc(C)ccc1C ZINC000081977880 192349906 /nfs/dbraw/zinc/34/99/06/192349906.db2.gz UJJOYYSCWJARMY-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN CCC(CC)N(CCOC)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088891638 185269557 /nfs/dbraw/zinc/26/95/57/185269557.db2.gz VSNRGUJRDWIRCD-UHFFFAOYSA-N 0 1 319.427 1.036 10 0 DDAEMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cc(CN)oc1C ZINC000092344125 185313139 /nfs/dbraw/zinc/31/31/39/185313139.db2.gz RZXNVYQVIHOUKU-MRVPVSSYSA-N 0 1 313.379 1.691 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1cc(Cl)ccn1)N1CCNCC1 ZINC000092417123 185317072 /nfs/dbraw/zinc/31/70/72/185317072.db2.gz SHVXVJCMKHFRKH-AWEZNQCLSA-N 0 1 308.813 1.131 10 0 DDAEMN Cc1nn(C)c2c1nc(SCC(=O)[O-])n2[C@@H]1CC[N@@H+](C)C1 ZINC000092539476 185324883 /nfs/dbraw/zinc/32/48/83/185324883.db2.gz FTHFQEVTCNGSFU-SECBINFHSA-N 0 1 309.395 1.132 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(N)ccc1F ZINC000092622379 185329613 /nfs/dbraw/zinc/32/96/13/185329613.db2.gz PCSRYQRZBWVEAG-NSHDSACASA-N 0 1 301.387 1.123 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000092633984 185330222 /nfs/dbraw/zinc/33/02/22/185330222.db2.gz UJTJJELXLYKLBQ-CYBMUJFWSA-N 0 1 309.435 1.369 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC[C@H]1c1cccs1 ZINC000092780424 185340454 /nfs/dbraw/zinc/34/04/54/185340454.db2.gz BSGYFOOAHQUJPH-YPMHNXCESA-N 0 1 302.403 1.849 10 0 DDAEMN CC[C@@H]1CN(C(=O)NOCc2ccccc2)CCN1C[C@@H](C)O ZINC000181705064 199341803 /nfs/dbraw/zinc/34/18/03/199341803.db2.gz KBUBTDSJNDUAIG-GDBMZVCRSA-N 0 1 321.421 1.605 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1c[nH]nn1 ZINC000616644814 362767525 /nfs/dbraw/zinc/76/75/25/362767525.db2.gz FGJUYYUQWIBHQQ-GFCCVEGCSA-N 0 1 311.386 1.093 10 0 DDAEMN CC[C@@H](C[NH3+])[N-]S(=O)(=O)c1sccc1Br ZINC000083566319 192373147 /nfs/dbraw/zinc/37/31/47/192373147.db2.gz KLDIGONQTSVUBO-LURJTMIESA-N 0 1 313.242 1.526 10 0 DDAEMN CS(=O)(=O)c1ccc([S@](=O)C[C@H](N)c2ccccc2)cc1 ZINC000084055934 192398189 /nfs/dbraw/zinc/39/81/89/192398189.db2.gz FEVJEQKBBMAGHW-YWZLYKJASA-N 0 1 323.439 1.898 10 0 DDAEMN O[C@H]1COCC[C@H]1NCc1cccc(F)c1Br ZINC000623766334 366045388 /nfs/dbraw/zinc/04/53/88/366045388.db2.gz DPOICVPHZQNPSO-MNOVXSKESA-N 0 1 304.159 1.828 10 0 DDAEMN COC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000172617544 198125525 /nfs/dbraw/zinc/12/55/25/198125525.db2.gz AONAGCZVSWYLNV-CVEARBPZSA-N 0 1 306.406 1.033 10 0 DDAEMN CC(C)n1nccc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000173237329 198200003 /nfs/dbraw/zinc/20/00/03/198200003.db2.gz IGOZLGSDOADILW-CHWSQXEVSA-N 0 1 309.414 1.383 10 0 DDAEMN CCNC(=O)NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174389390 198329144 /nfs/dbraw/zinc/32/91/44/198329144.db2.gz FXYRQEIEOLYKDW-GJZGRUSLSA-N 0 1 319.405 1.420 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)n[nH]1 ZINC000112060828 353970601 /nfs/dbraw/zinc/97/06/01/353970601.db2.gz AYVCXKFJBQGTNA-AWEZNQCLSA-N 0 1 317.393 1.408 10 0 DDAEMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC(=O)[O-] ZINC000398025630 354655780 /nfs/dbraw/zinc/65/57/80/354655780.db2.gz JVFQVNPVNJNSDF-HNNXBMFYSA-N 0 1 321.421 1.869 10 0 DDAEMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccco2)s1 ZINC000074851634 191371637 /nfs/dbraw/zinc/37/16/37/191371637.db2.gz GGBLFNGRYAZIMR-LURJTMIESA-N 0 1 316.364 1.129 10 0 DDAEMN C[C@H](N)c1csc(NC(=O)[C@H]2COc3ccccc3O2)n1 ZINC000080862655 192196631 /nfs/dbraw/zinc/19/66/31/192196631.db2.gz PMBLQGLDWDJWOV-QPUJVOFHSA-N 0 1 305.359 1.941 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C(C)(Cl)Cl)CCO2)n[nH]1 ZINC000180483894 199165319 /nfs/dbraw/zinc/16/53/19/199165319.db2.gz QJOCHMJFVVSUFL-SSDOTTSWSA-N 0 1 307.181 1.461 10 0 DDAEMN Ic1ccc(NC[C@@H]2COCCN2)nc1 ZINC000600862607 358331305 /nfs/dbraw/zinc/33/13/05/358331305.db2.gz CRAIKPOGJHZEDR-SECBINFHSA-N 0 1 319.146 1.087 10 0 DDAEMN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCNCC1 ZINC000237855772 202371220 /nfs/dbraw/zinc/37/12/20/202371220.db2.gz GSTXKVKMHFGHRA-UHFFFAOYSA-N 0 1 322.258 1.935 10 0 DDAEMN O=C(NCCN1CCCOCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000189393385 200393058 /nfs/dbraw/zinc/39/30/58/200393058.db2.gz CMCYBSJEVZMIGW-UONOGXRCSA-N 0 1 324.371 1.907 10 0 DDAEMN CCCNC(=O)[C@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091487702 193063146 /nfs/dbraw/zinc/06/31/46/193063146.db2.gz WZETYPWDIWYLSN-JTQLQIEISA-N 0 1 303.497 1.385 10 0 DDAEMN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)[C@H]1C ZINC000625579380 367028218 /nfs/dbraw/zinc/02/82/18/367028218.db2.gz DHUFAJKFWYNDDE-XBRDJLCQSA-N 0 1 320.437 1.770 10 0 DDAEMN Cn1ncc(C(N)=S)c1NC(=O)c1ccc(O)c(Cl)c1 ZINC000093349540 193236382 /nfs/dbraw/zinc/23/63/82/193236382.db2.gz ZKXXKZDCVIZMSO-UHFFFAOYSA-N 0 1 310.766 1.666 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1c(C)cc(N)cc1C ZINC000093648691 193282959 /nfs/dbraw/zinc/28/29/59/193282959.db2.gz MDKIGAAESKKTOQ-UHFFFAOYSA-N 0 1 313.467 1.848 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c1 ZINC000094358047 193364559 /nfs/dbraw/zinc/36/45/59/193364559.db2.gz BBTXMVPKGZLSKE-UHFFFAOYSA-N 0 1 311.451 1.600 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cscc2C)CC1 ZINC000094247666 193354342 /nfs/dbraw/zinc/35/43/42/193354342.db2.gz GYSWFUCBHAFJJG-GFCCVEGCSA-N 0 1 311.476 1.879 10 0 DDAEMN CCCN[C@@H](c1cc(Cl)cnc1N)[C@H]1CN2CCN1CC2 ZINC000094510662 193376148 /nfs/dbraw/zinc/37/61/48/193376148.db2.gz URYGTYVHOKTQFR-KGLIPLIRSA-N 0 1 309.845 1.358 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000008203706 181535353 /nfs/dbraw/zinc/53/53/53/181535353.db2.gz PCBSKEHYGIAKNB-SECBINFHSA-N 0 1 306.790 1.804 10 0 DDAEMN COCCN1CCC[C@@H](c2ncc(C(=O)N(C)C)c(C)n2)C1 ZINC000019753091 182143662 /nfs/dbraw/zinc/14/36/62/182143662.db2.gz FMSKHHMKAFTKLA-CYBMUJFWSA-N 0 1 306.410 1.313 10 0 DDAEMN Cc1ccsc1C(=O)N1CCC[C@H]1C(=O)N1CCNCC1 ZINC000040508312 183086001 /nfs/dbraw/zinc/08/60/01/183086001.db2.gz VAPHPRXRJGWUET-LBPRGKRZSA-N 0 1 307.419 1.093 10 0 DDAEMN Nc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2N)n1 ZINC000041023444 183156934 /nfs/dbraw/zinc/15/69/34/183156934.db2.gz RPUFDJKLGANVHB-UHFFFAOYSA-N 0 1 324.797 1.607 10 0 DDAEMN C[C@H](Sc1nc2ccc(N)cc2[nH]1)C(=O)N1CCOCC1 ZINC000042142327 183234733 /nfs/dbraw/zinc/23/47/33/183234733.db2.gz BMWKIFNWRUAIBU-VIFPVBQESA-N 0 1 306.391 1.485 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000042162798 183237174 /nfs/dbraw/zinc/23/71/74/183237174.db2.gz MRTLDSPDQPJTSB-GFCCVEGCSA-N 0 1 311.407 1.955 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000042162798 183237177 /nfs/dbraw/zinc/23/71/77/183237177.db2.gz MRTLDSPDQPJTSB-GFCCVEGCSA-N 0 1 311.407 1.955 10 0 DDAEMN CC(C)N(CCO)[C@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000042479366 183275258 /nfs/dbraw/zinc/27/52/58/183275258.db2.gz KSYILNPUTACRNO-LLVKDONJSA-N 0 1 309.435 1.351 10 0 DDAEMN CC1CCC(N)(c2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000042332490 183255350 /nfs/dbraw/zinc/25/53/50/183255350.db2.gz DHZOFYMXNRYDIY-UHFFFAOYSA-N 0 1 300.449 1.978 10 0 DDAEMN O=C(Nc1cccc(Cl)c1-n1cccn1)[C@@H]1CNCCO1 ZINC000043709405 183382913 /nfs/dbraw/zinc/38/29/13/183382913.db2.gz WLRVZTYKZAKZOO-LBPRGKRZSA-N 0 1 306.753 1.453 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(c2ccnc(Cc3ccccc3)n2)C1 ZINC000284427401 218021808 /nfs/dbraw/zinc/02/18/08/218021808.db2.gz DKIHXILVXNLPJZ-KRWDZBQOSA-N 0 1 322.372 1.283 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105824229 194137503 /nfs/dbraw/zinc/13/75/03/194137503.db2.gz KZNXKYYHOXHOIQ-HRCADAONSA-N 0 1 313.486 1.266 10 0 DDAEMN Cc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n[nH]1 ZINC000105817516 194135933 /nfs/dbraw/zinc/13/59/33/194135933.db2.gz CVROEVVOANNEEI-INIZCTEOSA-N 0 1 314.389 1.210 10 0 DDAEMN CCCn1cc(CN2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000105870258 194151811 /nfs/dbraw/zinc/15/18/11/194151811.db2.gz ZQRCGQFOKQWGPT-UHFFFAOYSA-N 0 1 316.453 1.735 10 0 DDAEMN NC(=S)C[NH+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000109441615 194263444 /nfs/dbraw/zinc/26/34/44/194263444.db2.gz KMZWOZHWVVPKED-UHFFFAOYSA-N 0 1 313.810 1.090 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000109457878 194266139 /nfs/dbraw/zinc/26/61/39/194266139.db2.gz DQCZYWAJOSFLDR-CYBMUJFWSA-N 0 1 305.447 1.438 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000061642568 184180416 /nfs/dbraw/zinc/18/04/16/184180416.db2.gz QEJASWHHALUKGX-AWEZNQCLSA-N 0 1 311.451 1.546 10 0 DDAEMN C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062037597 184202803 /nfs/dbraw/zinc/20/28/03/184202803.db2.gz HEOGKYFQFWQIDX-VHSXEESVSA-N 0 1 304.362 1.631 10 0 DDAEMN [NH3+][C@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000063213869 184279025 /nfs/dbraw/zinc/27/90/25/184279025.db2.gz IXQWRDUAACVYIF-RYUDHWBXSA-N 0 1 304.362 1.903 10 0 DDAEMN COCCN1CCN([C@H](C(=O)OC)c2ccccc2C)C[C@H]1C ZINC000162937754 285052050 /nfs/dbraw/zinc/05/20/50/285052050.db2.gz REBHYLOSOPKTGO-WBVHZDCISA-N 0 1 320.433 1.862 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@]3(C)CCCO3)CCO2)n[nH]1 ZINC000120708320 195221451 /nfs/dbraw/zinc/22/14/51/195221451.db2.gz DBMCYTDGIOXFQB-NHYWBVRUSA-N 0 1 323.397 1.019 10 0 DDAEMN CNC(=O)[C@@H]1C[C@H]2CCN(Cc3ccc(OC)cc3)C[C@@H]2O1 ZINC000247925830 257114657 /nfs/dbraw/zinc/11/46/57/257114657.db2.gz ZIBBBWMNSZATAA-KBMXLJTQSA-N 0 1 304.390 1.421 10 0 DDAEMN Nc1nc(S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000008015661 406773977 /nfs/dbraw/zinc/77/39/77/406773977.db2.gz AXTYJQTXBVAIAH-UHFFFAOYSA-N 0 1 307.162 1.668 10 0 DDAEMN C[C@H]1O[C@@H](n2cc(F)c(=S)[nH]c2=O)[C@@H]2OC(C)(C)O[C@H]12 ZINC000044019764 407020630 /nfs/dbraw/zinc/02/06/30/407020630.db2.gz AARWAZRSHDSNLU-VPCXQMTMSA-N 0 1 302.327 1.895 10 0 DDAEMN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1F ZINC000085989251 407107590 /nfs/dbraw/zinc/10/75/90/407107590.db2.gz IAHNGDKVZMXNQW-CABZTGNLSA-N 0 1 305.346 1.794 10 0 DDAEMN O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1c(F)cc(F)cc1F ZINC000089165421 407124651 /nfs/dbraw/zinc/12/46/51/407124651.db2.gz GEQDJBHKWOEWQN-CPCISQLKSA-N 0 1 309.309 1.543 10 0 DDAEMN C[C@H]1CN(C(=O)CN2CCC(Cn3cccn3)CC2)C[C@H](C)O1 ZINC000090473433 407168702 /nfs/dbraw/zinc/16/87/02/407168702.db2.gz GPITWGAZVDDCCK-GJZGRUSLSA-N 0 1 320.437 1.231 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000123274953 407324384 /nfs/dbraw/zinc/32/43/84/407324384.db2.gz ZYYLVCSTHYWKHH-GOSISDBHSA-N 0 1 319.449 1.081 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCc1nccs1 ZINC000106913358 407366485 /nfs/dbraw/zinc/36/64/85/407366485.db2.gz UKNOURDUBNJXRY-CQSZACIVSA-N 0 1 303.431 1.975 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000195316340 407449078 /nfs/dbraw/zinc/44/90/78/407449078.db2.gz URXCBDJXAAOXOY-YPMHNXCESA-N 0 1 313.423 1.097 10 0 DDAEMN CC1(C)NC(=O)N(CCCN2CCCC[C@@H]2c2cn[nH]c2)C1=O ZINC000114201773 407551371 /nfs/dbraw/zinc/55/13/71/407551371.db2.gz QTMNOZBUJLKNQU-CYBMUJFWSA-N 0 1 319.409 1.657 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC(=O)CN2CCC(C)CC2)C12CCOCC2 ZINC000186460345 407670967 /nfs/dbraw/zinc/67/09/67/407670967.db2.gz JMFMJZRXINOJDX-HZPDHXFCSA-N 0 1 324.465 1.809 10 0 DDAEMN OC[C@H]1C[C@@H](O)CN1Cc1ccccc1OCC(F)(F)F ZINC000179180848 407748317 /nfs/dbraw/zinc/74/83/17/407748317.db2.gz JMXQADAMMNTIIG-VXGBXAGGSA-N 0 1 305.296 1.555 10 0 DDAEMN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C[C@@H]1COCCN1 ZINC000262277163 407781351 /nfs/dbraw/zinc/78/13/51/407781351.db2.gz WPUPWUBUGUSVLA-CVEARBPZSA-N 0 1 318.417 1.744 10 0 DDAEMN COC[C@H](N)C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000262264311 407778662 /nfs/dbraw/zinc/77/86/62/407778662.db2.gz JSCYJOMJDPDZBN-NSHDSACASA-N 0 1 313.785 1.067 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000262323187 407800329 /nfs/dbraw/zinc/80/03/29/407800329.db2.gz QQSBYPFZEBUMMU-CQSZACIVSA-N 0 1 319.336 1.603 10 0 DDAEMN COC[C@H](N)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000262364044 407812616 /nfs/dbraw/zinc/81/26/16/407812616.db2.gz VWSSRJAIAWAYCK-WFASDCNBSA-N 0 1 309.385 1.005 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccsc2)C1 ZINC000262688324 407900642 /nfs/dbraw/zinc/90/06/42/407900642.db2.gz BHUAOFKNYYXMHX-UHFFFAOYSA-N 0 1 310.419 1.734 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccccc2OC)C1 ZINC000262699481 407904263 /nfs/dbraw/zinc/90/42/63/407904263.db2.gz HJCAKSVOFKVABT-UHFFFAOYSA-N 0 1 320.389 1.291 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)CC[C@H]2CCOC2)C1 ZINC000262722835 407911094 /nfs/dbraw/zinc/91/10/94/407911094.db2.gz QSFPUCISGYJZGZ-NFOMZHRRSA-N 0 1 324.421 1.247 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000118856322 407954612 /nfs/dbraw/zinc/95/46/12/407954612.db2.gz HJWSOPZPYRZBFR-KRWDZBQOSA-N 0 1 323.481 1.309 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)cc(F)c2)C1 ZINC000262753776 407918167 /nfs/dbraw/zinc/91/81/67/407918167.db2.gz YJAIYOSBKPMLNT-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)C[C@@H]1C ZINC000245658808 408037466 /nfs/dbraw/zinc/03/74/66/408037466.db2.gz OZQHNVNYNLKOKT-VFQZCJPISA-N 0 1 323.824 1.662 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCSC)CCN1C[C@@H](C)O ZINC000181790302 408041175 /nfs/dbraw/zinc/04/11/75/408041175.db2.gz KGLZRDONUAVDPI-CHWSQXEVSA-N 0 1 303.472 1.226 10 0 DDAEMN C[C@@H](O)CN1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000181815739 408041813 /nfs/dbraw/zinc/04/18/13/408041813.db2.gz FKNYDUBFLSWPEE-LSDHHAIUSA-N 0 1 314.470 1.885 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCC[C@H](C)C2)C1 ZINC000262998076 407998888 /nfs/dbraw/zinc/99/88/88/407998888.db2.gz MMSDFEZMEBNNJA-FEPKRQSRSA-N 0 1 311.426 1.802 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000245583500 408022956 /nfs/dbraw/zinc/02/29/56/408022956.db2.gz JKCHQKZCDNWZKD-WFASDCNBSA-N 0 1 311.389 1.780 10 0 DDAEMN CCCn1c(C)nnc1CN1CCN(CCOCC)[C@@H](CC)C1 ZINC000245784453 408067291 /nfs/dbraw/zinc/06/72/91/408067291.db2.gz MPTSSGSJZQUWIO-INIZCTEOSA-N 0 1 323.485 1.929 10 0 DDAEMN Cc1ccc(N2CCCN([C@@H](C)C(=O)N(C)C(C)C)CC2)nn1 ZINC000175186307 408071617 /nfs/dbraw/zinc/07/16/17/408071617.db2.gz FDHJZAFWGOCQKZ-HNNXBMFYSA-N 0 1 319.453 1.552 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccsc3)CCO2)n[nH]1 ZINC000175365127 408115971 /nfs/dbraw/zinc/11/59/71/408115971.db2.gz XYPWLWSJVPPNGY-NSHDSACASA-N 0 1 307.379 1.458 10 0 DDAEMN Cc1cnn(CCNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1 ZINC000189899533 408131955 /nfs/dbraw/zinc/13/19/55/408131955.db2.gz SPCGORBFCHSSMP-JTQLQIEISA-N 0 1 320.315 1.011 10 0 DDAEMN C[C@@]1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CCCOC1 ZINC000263469848 408149056 /nfs/dbraw/zinc/14/90/56/408149056.db2.gz XNAIEUPJLDJQIG-MQBCKMQZSA-N 0 1 324.421 1.247 10 0 DDAEMN COc1cccc(CNC(=O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000246176119 408162563 /nfs/dbraw/zinc/16/25/63/408162563.db2.gz JXULEEKQXFKHHD-INIZCTEOSA-N 0 1 317.433 1.482 10 0 DDAEMN Cc1cnc(CNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000175591863 408170092 /nfs/dbraw/zinc/17/00/92/408170092.db2.gz OGEKFNPEBLGQNU-SNVBAGLBSA-N 0 1 322.394 1.161 10 0 DDAEMN COC(=O)c1coc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246509851 408277403 /nfs/dbraw/zinc/27/74/03/408277403.db2.gz QPSGUVAXKYDWLR-IUODEOHRSA-N 0 1 308.378 1.219 10 0 DDAEMN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000182998045 408303251 /nfs/dbraw/zinc/30/32/51/408303251.db2.gz LSGBPBRWPLATSU-HTQZYQBOSA-N 0 1 304.799 1.730 10 0 DDAEMN CCN(CC(=O)N1CCC(c2nncn2CC)CC1)C1CC1 ZINC000132284893 162034234 /nfs/dbraw/zinc/03/42/34/162034234.db2.gz DMPKOKBZQLYENH-UHFFFAOYSA-N 0 1 305.426 1.488 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCc3[nH]ncc31)CC2 ZINC000134357949 162077137 /nfs/dbraw/zinc/07/71/37/162077137.db2.gz HXDGIAQVOHSQJW-QWRGUYRKSA-N 0 1 314.393 1.115 10 0 DDAEMN O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000140525486 162132087 /nfs/dbraw/zinc/13/20/87/162132087.db2.gz GPDDPEYTIDATAW-MAUKXSAKSA-N 0 1 306.450 1.918 10 0 DDAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000140525486 162132089 /nfs/dbraw/zinc/13/20/89/162132089.db2.gz GPDDPEYTIDATAW-MAUKXSAKSA-N 0 1 306.450 1.918 10 0 DDAEMN CCOc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173532622 162346872 /nfs/dbraw/zinc/34/68/72/162346872.db2.gz DBGJCHJDNYNBIS-AWEZNQCLSA-N 0 1 316.361 1.726 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccccc3F)CCO2)n[nH]1 ZINC000173582360 162349421 /nfs/dbraw/zinc/34/94/21/162349421.db2.gz SQEYIFUBFLTMAN-GFCCVEGCSA-N 0 1 304.325 1.720 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1C[C@H](C)O ZINC000247072267 408403143 /nfs/dbraw/zinc/40/31/43/408403143.db2.gz GOYSUYLUABKQOL-HOTGVXAUSA-N 0 1 313.486 1.409 10 0 DDAEMN O=S(=O)(N[C@H]1CCCn2ncnc21)c1c(F)cccc1F ZINC000176749901 408431806 /nfs/dbraw/zinc/43/18/06/408431806.db2.gz XPVLSVAJOSKXEW-JTQLQIEISA-N 0 1 314.317 1.370 10 0 DDAEMN C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247237485 408435191 /nfs/dbraw/zinc/43/51/91/408435191.db2.gz XOXUQWWIXXIEBZ-MNAZLIDISA-N 0 1 323.481 1.476 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)CCc3ccccc3)CCO2)n[nH]1 ZINC000248600591 408595959 /nfs/dbraw/zinc/59/59/59/408595959.db2.gz UZMRNMOMOVBPDN-HOTGVXAUSA-N 0 1 316.405 1.480 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)N(C)C ZINC000161623577 408621128 /nfs/dbraw/zinc/62/11/28/408621128.db2.gz FTAXUFZKPADWHC-HNNXBMFYSA-N 0 1 305.422 1.986 10 0 DDAEMN O=c1[nH]ccnc1N1CCC[C@H](NCc2cnn3ccccc23)C1 ZINC000275715184 408657722 /nfs/dbraw/zinc/65/77/22/408657722.db2.gz YOWMNTBBRRYWLQ-AWEZNQCLSA-N 0 1 324.388 1.589 10 0 DDAEMN Cn1cc([C@H]2CCCN2C(=O)CCCCc2cn[nH]n2)cn1 ZINC000184750450 408683897 /nfs/dbraw/zinc/68/38/97/408683897.db2.gz CZCQDDQMTXSTLK-CQSZACIVSA-N 0 1 302.382 1.615 10 0 DDAEMN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000250205492 408777010 /nfs/dbraw/zinc/77/70/10/408777010.db2.gz QIFRLKVIVQQMCA-KBPBESRZSA-N 0 1 311.426 1.454 10 0 DDAEMN CCCOc1ccc([C@H](C)NC(=O)[C@H](N)COC)cc1OC ZINC000262222101 163789125 /nfs/dbraw/zinc/78/91/25/163789125.db2.gz FTBIYFXRTJAFDO-WCQYABFASA-N 0 1 310.394 1.635 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1C[C@H](OC)C[C@H]1CO ZINC000309883899 164005732 /nfs/dbraw/zinc/00/57/32/164005732.db2.gz YAIPHUVJPOZFCL-JKSUJKDBSA-N 0 1 306.406 1.117 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2scnc2C)CCN1C[C@@H](C)O ZINC000492663293 420620852 /nfs/dbraw/zinc/62/08/52/420620852.db2.gz OFYSDDXVKXEXAI-BYVUIAOWSA-N 0 1 323.462 1.768 10 0 DDAEMN COC(=O)Cc1cc(F)cc(O)c1I ZINC000575714302 422312836 /nfs/dbraw/zinc/31/28/36/422312836.db2.gz QFPXPTYRITYLLQ-UHFFFAOYSA-N 0 1 310.062 1.851 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000637930346 422486972 /nfs/dbraw/zinc/48/69/72/422486972.db2.gz VUOHRJDAXCSVAR-WMHQRMGPSA-N 0 1 306.406 1.603 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000068898083 263328158 /nfs/dbraw/zinc/32/81/58/263328158.db2.gz PYALIRGITJHXRJ-AWEZNQCLSA-N 0 1 300.399 1.729 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000068898085 263328196 /nfs/dbraw/zinc/32/81/96/263328196.db2.gz PYALIRGITJHXRJ-CQSZACIVSA-N 0 1 300.399 1.729 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccccc2O)CCN1C[C@H](C)O ZINC000246754041 282013217 /nfs/dbraw/zinc/01/32/17/282013217.db2.gz XQSAISSBACRZAA-UONOGXRCSA-N 0 1 322.405 1.075 10 0 DDAEMN Cc1cc[nH+]c(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC000095089785 302271861 /nfs/dbraw/zinc/27/18/61/302271861.db2.gz JRUQCFJTECYCTH-LBPRGKRZSA-N 0 1 321.377 1.900 10 0 DDAEMN OCCN1CCC[C@@H](NCc2ncc(Br)s2)C1 ZINC000679847417 486013309 /nfs/dbraw/zinc/01/33/09/486013309.db2.gz MPOXDIUZPNIXQG-SECBINFHSA-N 0 1 320.256 1.452 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000174075430 697383825 /nfs/dbraw/zinc/38/38/25/697383825.db2.gz MDCHNOIRCQGDDS-QZTJIDSGSA-N 0 1 306.450 1.725 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000183664178 697491387 /nfs/dbraw/zinc/49/13/87/697491387.db2.gz FHTYLOLNZAGITP-MXWKQRLJSA-N 0 1 324.343 1.357 10 0 DDAEMN CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H](N)COC ZINC000262249518 698461344 /nfs/dbraw/zinc/46/13/44/698461344.db2.gz SKHMWJZZOXNBCU-NSHDSACASA-N 0 1 316.785 1.668 10 0 DDAEMN COC[C@H](N)C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393569 698467313 /nfs/dbraw/zinc/46/73/13/698467313.db2.gz OLCORKQMRJOHNR-GJZGRUSLSA-N 0 1 320.368 1.081 10 0 DDAEMN CCOc1cc(Br)ccc1NC(=O)[C@H](N)COC ZINC000262496642 698472235 /nfs/dbraw/zinc/47/22/35/698472235.db2.gz IFABORPXELYRSO-SECBINFHSA-N 0 1 317.183 1.760 10 0 DDAEMN CC[C@@H]1CCC[C@@H](CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000263536736 698512292 /nfs/dbraw/zinc/51/22/92/698512292.db2.gz ZQUJIZRBNLLTLE-BZUAXINKSA-N 0 1 312.454 1.920 10 0 DDAEMN C/C(=C/C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1)c1ccco1 ZINC000862937346 705830627 /nfs/dbraw/zinc/83/06/27/705830627.db2.gz YQTGFFLNXLRNDY-CUSVYIHLSA-N 0 1 315.377 1.288 10 0 DDAEMN Cc1noc(COC2CN([C@@H]3CCCC34CCOCC4)C2)n1 ZINC000886097300 708697558 /nfs/dbraw/zinc/69/75/58/708697558.db2.gz QWRWAVNANXBGOK-CQSZACIVSA-N 0 1 307.394 1.928 10 0 DDAEMN O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1nn[nH]n1 ZINC000900396889 709576147 /nfs/dbraw/zinc/57/61/47/709576147.db2.gz WKUIGOYPHHNZJC-QWHCGFSZSA-N 0 1 312.333 1.381 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccn1 ZINC000074626580 185003861 /nfs/dbraw/zinc/00/38/61/185003861.db2.gz RAGRROBHTYHUMZ-UHFFFAOYSA-N 0 1 304.331 1.360 10 0 DDAEMN CC(C)[C@@H]1CCCN(S(=O)(=O)c2ccnc(NN)c2)CC1 ZINC000079357925 185166979 /nfs/dbraw/zinc/16/69/79/185166979.db2.gz FIPBXUYEBPQVKB-GFCCVEGCSA-N 0 1 312.439 1.814 10 0 DDAEMN C[C@@]1(NCc2ccc3nc(N)sc3c2)CCS(=O)(=O)C1 ZINC000087848148 185233441 /nfs/dbraw/zinc/23/34/41/185233441.db2.gz OLGCKTZBVVBSPI-CYBMUJFWSA-N 0 1 311.432 1.545 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](N)c1c(C)cc(C)cc1C ZINC000081976939 192347964 /nfs/dbraw/zinc/34/79/64/192347964.db2.gz YCESKAVUSLKEHA-CYBMUJFWSA-N 0 1 313.419 1.590 10 0 DDAEMN CCC[C@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N(C)C ZINC000179147751 539233733 /nfs/dbraw/zinc/23/37/33/539233733.db2.gz MVUCJYNKJNNGSG-OAHLLOKOSA-N 0 1 301.394 1.995 10 0 DDAEMN O=S(=O)(Nc1c2nsnc2ccc1Cl)c1cn[nH]c1 ZINC000088129424 185240396 /nfs/dbraw/zinc/24/03/96/185240396.db2.gz IQRBLLGNZPCNEW-UHFFFAOYSA-N 0 1 315.767 1.869 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)C(C)C ZINC000183675869 539243107 /nfs/dbraw/zinc/24/31/07/539243107.db2.gz IVUNEVRDSUHJKT-SUMWQHHRSA-N 0 1 317.433 1.715 10 0 DDAEMN CC(C)COC[C@@H](NC[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203456 539243898 /nfs/dbraw/zinc/24/38/98/539243898.db2.gz VNLCGGCOYCLZGU-HUUCEWRRSA-N 0 1 324.421 1.566 10 0 DDAEMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc2c(c1)OCCO2 ZINC000189068583 539253170 /nfs/dbraw/zinc/25/31/70/539253170.db2.gz BWKQDMACBMNUKQ-LLVKDONJSA-N 0 1 301.346 1.991 10 0 DDAEMN CC[N@H+]1CCN(C(=O)N(CC(=O)[O-])CC(F)(F)F)C[C@H]1C ZINC000092446133 185318990 /nfs/dbraw/zinc/31/89/90/185318990.db2.gz CLVOSWLAWPPQSV-SECBINFHSA-N 0 1 311.304 1.081 10 0 DDAEMN CC[C@H]1CN(C(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1C ZINC000092446137 185319067 /nfs/dbraw/zinc/31/90/67/185319067.db2.gz UZDFYSDNIVHEIP-VIFPVBQESA-N 0 1 311.304 1.081 10 0 DDAEMN COc1cc2c(cc1OC)N(N)C(O)=C(C(=O)OC(C)(C)C)C2 ZINC000616220749 362589996 /nfs/dbraw/zinc/58/99/96/362589996.db2.gz SISSEWZCGCJPOG-JTQLQIEISA-N 0 1 322.361 1.425 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@@H](c2nn[nH]n2)C1 ZINC000616628292 362763169 /nfs/dbraw/zinc/76/31/69/362763169.db2.gz DYWFEOTWHUWGRL-LLVKDONJSA-N 0 1 307.379 1.158 10 0 DDAEMN CC(C)NC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725271345 539570381 /nfs/dbraw/zinc/57/03/81/539570381.db2.gz DKVBIAQUZBLSSZ-ZYHUDNBSSA-N 0 1 311.455 1.643 10 0 DDAEMN O=S(=O)(NCCCc1nc[nH]n1)c1ccc(F)cc1Cl ZINC000080589761 192170409 /nfs/dbraw/zinc/17/04/09/192170409.db2.gz YRNGVNAZBYJXOH-UHFFFAOYSA-N 0 1 318.761 1.508 10 0 DDAEMN Cc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1C ZINC000262899567 186321437 /nfs/dbraw/zinc/32/14/37/186321437.db2.gz HWONQNPGDVWYLE-HNNXBMFYSA-N 0 1 320.389 1.161 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2F)CCN1C[C@@H](C)O ZINC000173271812 198204475 /nfs/dbraw/zinc/20/44/75/198204475.db2.gz WXVDCDOKGFSJGT-UKRRQHHQSA-N 0 1 323.412 1.812 10 0 DDAEMN Cc1nnc(SCC(=O)N[C@H](C)COCc2ccccc2)[nH]1 ZINC000173368563 198207068 /nfs/dbraw/zinc/20/70/68/198207068.db2.gz MQINRFSLUCXJQE-LLVKDONJSA-N 0 1 320.418 1.927 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N[C@H](C)COCc2ccccc2)n1 ZINC000173368563 198207069 /nfs/dbraw/zinc/20/70/69/198207069.db2.gz MQINRFSLUCXJQE-LLVKDONJSA-N 0 1 320.418 1.927 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000173578803 198230028 /nfs/dbraw/zinc/23/00/28/198230028.db2.gz IHQULNNEWLQDEJ-CYBMUJFWSA-N 0 1 318.352 1.649 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000173885478 198265305 /nfs/dbraw/zinc/26/53/05/198265305.db2.gz LJOJOKQYCKKWCP-FZMZJTMJSA-N 0 1 300.399 1.833 10 0 DDAEMN O=C([C@H]1NCCc2ccccc21)N1CCC[C@@H](n2cncn2)C1 ZINC000156395311 354219280 /nfs/dbraw/zinc/21/92/80/354219280.db2.gz IWSGEIRQRDQOOT-ZBFHGGJFSA-N 0 1 311.389 1.329 10 0 DDAEMN CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCOC1=O ZINC000328646883 354558204 /nfs/dbraw/zinc/55/82/04/354558204.db2.gz SVMRNIJCQJSNTF-ZJUUUORDSA-N 0 1 317.311 1.712 10 0 DDAEMN Cc1nnc([C@H]2CN(C(=O)c3cc(CC(C)C)[nH]n3)CCO2)o1 ZINC000328615407 354546701 /nfs/dbraw/zinc/54/67/01/354546701.db2.gz YDNJHPWQEXXGNX-CYBMUJFWSA-N 0 1 319.365 1.513 10 0 DDAEMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccn3)ccc21 ZINC000074932036 191390079 /nfs/dbraw/zinc/39/00/79/191390079.db2.gz LJUNYVBWWODEBR-UHFFFAOYSA-N 0 1 303.343 1.401 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)ccn1 ZINC000074946163 191393461 /nfs/dbraw/zinc/39/34/61/191393461.db2.gz GWLBHNKZURNPDR-UHFFFAOYSA-N 0 1 319.342 1.636 10 0 DDAEMN CC(C)Cc1nc2c(n1[C@]1(C)CCS(=O)(=O)C1)CCNC2 ZINC000085572919 192516858 /nfs/dbraw/zinc/51/68/58/192516858.db2.gz BAOMEMONACAJAH-OAHLLOKOSA-N 0 1 311.451 1.261 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000180690277 199197210 /nfs/dbraw/zinc/19/72/10/199197210.db2.gz MZGKTQJETRDGIA-UONOGXRCSA-N 0 1 324.421 1.824 10 0 DDAEMN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C)c(CN)s1 ZINC000089021604 192701239 /nfs/dbraw/zinc/70/12/39/192701239.db2.gz UCNMRCBSHJMZKC-UWVGGRQHSA-N 0 1 304.437 1.361 10 0 DDAEMN Cc1nc(NC(=O)[C@@H]2CNCCO2)ccc1Br ZINC000091507173 193066907 /nfs/dbraw/zinc/06/69/07/193066907.db2.gz RHUNXCSTVXZUMY-VIFPVBQESA-N 0 1 300.156 1.079 10 0 DDAEMN O=c1c2ccsc2[n-]c(=S)n1C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675647 193089042 /nfs/dbraw/zinc/08/90/42/193089042.db2.gz QAWFDDLOMZRESV-ZJUUUORDSA-N 0 1 323.443 1.984 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000093174120 193211484 /nfs/dbraw/zinc/21/14/84/193211484.db2.gz GRSMVBAZYYKRKG-GOEBONIOSA-N 0 1 303.406 1.403 10 0 DDAEMN C[C@@H](Cc1cccs1)N(C)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000093288956 193225335 /nfs/dbraw/zinc/22/53/35/193225335.db2.gz RGJGKHJJADUVRU-GXFFZTMASA-N 0 1 304.419 1.575 10 0 DDAEMN COc1nc(N(C)C)sc1CNCC(C)(C)S(C)(=O)=O ZINC000093520492 193262816 /nfs/dbraw/zinc/26/28/16/193262816.db2.gz MNFDXSCROOWHQR-UHFFFAOYSA-N 0 1 321.468 1.131 10 0 DDAEMN C[C@@H](N)c1nc(-c2nc([C@H]3CN(C)CCN3C)no2)cs1 ZINC000093892793 193324245 /nfs/dbraw/zinc/32/42/45/193324245.db2.gz PAWGHKHUTOLLOY-PSASIEDQSA-N 0 1 308.411 1.131 10 0 DDAEMN CCCN1CCO[C@@H](c2nc(C)c(Br)c(=O)[nH]2)C1 ZINC000093917378 193328677 /nfs/dbraw/zinc/32/86/77/193328677.db2.gz NQEXZSKABICMBM-SECBINFHSA-N 0 1 316.199 1.624 10 0 DDAEMN O=C([C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000094394279 193367963 /nfs/dbraw/zinc/36/79/63/193367963.db2.gz JVBUVQLCSCHKAQ-HGTKMLMNSA-N 0 1 311.447 1.721 10 0 DDAEMN CCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000020552950 182230882 /nfs/dbraw/zinc/23/08/82/182230882.db2.gz VJGDCONLDNIIGE-LLVKDONJSA-N 0 1 310.829 1.887 10 0 DDAEMN Nc1cc(N)nc(S[C@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000041023973 183157685 /nfs/dbraw/zinc/15/76/85/183157685.db2.gz QKGCTVFYZJEOBK-QMMMGPOBSA-N 0 1 308.388 1.262 10 0 DDAEMN COc1cc2nc(C[NH+](C)C)n(CCC(=O)[O-])c2cc1OC ZINC000041580041 183206299 /nfs/dbraw/zinc/20/62/99/183206299.db2.gz XSNOYJNBZDIUPF-UHFFFAOYSA-N 0 1 307.350 1.590 10 0 DDAEMN CCCN(CCOc1ccccc1C(N)=S)CC(=O)NC ZINC000042404984 183264455 /nfs/dbraw/zinc/26/44/55/183264455.db2.gz HDGOPILGIPGGSX-UHFFFAOYSA-N 0 1 309.435 1.158 10 0 DDAEMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(C(N)=S)ccc1F ZINC000042428949 183269147 /nfs/dbraw/zinc/26/91/47/183269147.db2.gz WAPXREXLHPPSGU-MWLCHTKSSA-N 0 1 309.410 1.546 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc[nH]c2C2CC2)C1 ZINC000284849873 218206019 /nfs/dbraw/zinc/20/60/19/218206019.db2.gz CSXLJCPSXCQBFV-YPMHNXCESA-N 0 1 315.377 1.921 10 0 DDAEMN COc1ccc(N2C(=O)[C@@H]3ON=C(c4ccccc4)[C@H]3C2=O)cc1 ZINC000105592318 194113154 /nfs/dbraw/zinc/11/31/54/194113154.db2.gz XSBLVCFDZHXPJR-GDBMZVCRSA-N 0 1 322.320 1.988 10 0 DDAEMN CN(CC(=O)NC(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802655 194132688 /nfs/dbraw/zinc/13/26/88/194132688.db2.gz WUZMLXKQSVEUGS-CYBMUJFWSA-N 0 1 305.426 1.292 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccccc2C)CCN1CCOC ZINC000105836009 194143259 /nfs/dbraw/zinc/14/32/59/194143259.db2.gz YPAMJRDJAMXLBD-INIZCTEOSA-N 0 1 319.449 1.976 10 0 DDAEMN COCCN1CCN(Cc2noc(-c3ccccc3)n2)C[C@@H]1C ZINC000105913814 194169944 /nfs/dbraw/zinc/16/99/44/194169944.db2.gz RUJVVSNGNFGLEC-AWEZNQCLSA-N 0 1 316.405 1.889 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000105932732 194173542 /nfs/dbraw/zinc/17/35/42/194173542.db2.gz BVANXKADGWRJJC-CABCVRRESA-N 0 1 305.422 1.551 10 0 DDAEMN Cc1nnc(SCc2nc3sccc3c(NN)n2)n1C ZINC000110116840 194311178 /nfs/dbraw/zinc/31/11/78/194311178.db2.gz DNWZZDRHOQPGBV-UHFFFAOYSA-N 0 1 307.408 1.706 10 0 DDAEMN CN1CCN(CC(=O)Nc2cc(Cl)ccc2N)CC1(C)C ZINC000110704329 194351332 /nfs/dbraw/zinc/35/13/32/194351332.db2.gz JGAFTCFHWJGACA-UHFFFAOYSA-N 0 1 310.829 1.887 10 0 DDAEMN CC(C)(C)S(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000111071989 194388629 /nfs/dbraw/zinc/38/86/29/194388629.db2.gz MJHYYSAMLFCKNJ-GFCCVEGCSA-N 0 1 318.439 1.128 10 0 DDAEMN CC[N@H+](CC(=O)N1CCc2sccc2C1)C[C@H](C)C(=O)[O-] ZINC000061218996 184166408 /nfs/dbraw/zinc/16/64/08/184166408.db2.gz GFOSVJGKSJPHID-NSHDSACASA-N 0 1 310.419 1.675 10 0 DDAEMN COCCNCc1c(Cl)cccc1N(CC(N)=O)C(C)C ZINC000062737569 184252197 /nfs/dbraw/zinc/25/21/97/184252197.db2.gz PFFBYWDKQRNYAN-UHFFFAOYSA-N 0 1 313.829 1.776 10 0 DDAEMN CC(C)OCCCNC(=O)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062875828 184258280 /nfs/dbraw/zinc/25/82/80/184258280.db2.gz YJQAWIHMRIDSRU-HNNXBMFYSA-N 0 1 300.399 1.104 10 0 DDAEMN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCN1CCc1ccccc1 ZINC000062691026 184247607 /nfs/dbraw/zinc/24/76/07/184247607.db2.gz FSCKMVALTSLMDH-WBVHZDCISA-N 0 1 302.418 1.941 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c(N)c1 ZINC000062975744 184264380 /nfs/dbraw/zinc/26/43/80/184264380.db2.gz XNLSLDNDSWMPMH-CYBMUJFWSA-N 0 1 309.435 1.436 10 0 DDAEMN CCCCNC(=O)c1cccc(NC(=O)CNCCOC)c1 ZINC000066224578 184398078 /nfs/dbraw/zinc/39/80/78/184398078.db2.gz YIIVBCMKYSZJSW-UHFFFAOYSA-N 0 1 307.394 1.391 10 0 DDAEMN O=C([C@@H]1C[C@H]2CCN(Cc3cccs3)C[C@@H]2O1)N1CCCO1 ZINC000247760750 257118113 /nfs/dbraw/zinc/11/81/13/257118113.db2.gz HETJVIAQNUYELC-SNPRPXQTSA-N 0 1 322.430 1.891 10 0 DDAEMN CCn1cnnc1C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000068488240 406643478 /nfs/dbraw/zinc/64/34/78/406643478.db2.gz HLMPRACQLKKQSU-UHFFFAOYSA-N 0 1 314.393 1.918 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000075979179 406948844 /nfs/dbraw/zinc/94/88/44/406948844.db2.gz DTCZBZCVDBTGDW-DOTOQJQBSA-N 0 1 316.449 1.906 10 0 DDAEMN CCCCN(C)S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000125522353 407390187 /nfs/dbraw/zinc/39/01/87/407390187.db2.gz XZKQYOFMWCOAJB-HNNXBMFYSA-N 0 1 313.467 1.856 10 0 DDAEMN CNC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000111635634 407412935 /nfs/dbraw/zinc/41/29/35/407412935.db2.gz SVORQXVOXNZCGE-JKSUJKDBSA-N 0 1 317.433 1.144 10 0 DDAEMN CC(=O)c1cccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000112548924 407431894 /nfs/dbraw/zinc/43/18/94/407431894.db2.gz ARURDEZGADYHJR-LRDDRELGSA-N 0 1 319.405 1.136 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000113271318 407488228 /nfs/dbraw/zinc/48/82/28/407488228.db2.gz BLZYUCJMPGFVBG-WDEREUQCSA-N 0 1 304.419 1.653 10 0 DDAEMN Cc1ccccc1CCNC(=O)[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178623245 407514105 /nfs/dbraw/zinc/51/41/05/407514105.db2.gz RKMSUKUUPDIJNM-SJLPKXTDSA-N 0 1 315.461 1.822 10 0 DDAEMN CCNc1ncc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000129367611 407603826 /nfs/dbraw/zinc/60/38/26/407603826.db2.gz BVWFIYXIRAYQOB-VIFPVBQESA-N 0 1 322.394 1.215 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000262067714 407729800 /nfs/dbraw/zinc/72/98/00/407729800.db2.gz BPGCWWXAJBLYNC-NSHDSACASA-N 0 1 305.334 1.049 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)NCc2n[nH]c(COc3ccccc3)n2)O1 ZINC000186676587 407741571 /nfs/dbraw/zinc/74/15/71/407741571.db2.gz IOKQEVAYZAOMHR-AAEUAGOBSA-N 0 1 316.361 1.567 10 0 DDAEMN CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116295784 407742127 /nfs/dbraw/zinc/74/21/27/407742127.db2.gz PCXAGGXTSUDRPD-LSDHHAIUSA-N 0 1 305.422 1.969 10 0 DDAEMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116310676 407742580 /nfs/dbraw/zinc/74/25/80/407742580.db2.gz CJMIPMJLMZBAOS-ZNMIVQPWSA-N 0 1 304.438 1.999 10 0 DDAEMN C[C@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc2O1 ZINC000171770653 407763443 /nfs/dbraw/zinc/76/34/43/407763443.db2.gz RFYMAXAYESFMKU-GXTWGEPZSA-N 0 1 322.430 1.479 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000262241304 407771368 /nfs/dbraw/zinc/77/13/68/407771368.db2.gz HTAWWKKIWFKYLU-RISCZKNCSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000262241304 407771375 /nfs/dbraw/zinc/77/13/75/407771375.db2.gz HTAWWKKIWFKYLU-RISCZKNCSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000262271333 407781185 /nfs/dbraw/zinc/78/11/85/407781185.db2.gz KKUSSLHKSPPKHG-OAHLLOKOSA-N 0 1 307.394 1.356 10 0 DDAEMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@H](c2nccs2)C1 ZINC000171855072 407785715 /nfs/dbraw/zinc/78/57/15/407785715.db2.gz ZBKIUZQPVJRXKF-LBPRGKRZSA-N 0 1 304.375 1.957 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000262315887 407796297 /nfs/dbraw/zinc/79/62/97/407796297.db2.gz PTTHXXDNPIDQCV-VIFPVBQESA-N 0 1 312.782 1.771 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000262335163 407803424 /nfs/dbraw/zinc/80/34/24/407803424.db2.gz SBCDRYGFFUXSGP-XDTLVQLUSA-N 0 1 300.786 1.506 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nc4ccccc4nc3C)CCO2)n[nH]1 ZINC000173655228 407891766 /nfs/dbraw/zinc/89/17/66/407891766.db2.gz OYXSUSXSDSHDGY-INIZCTEOSA-N 0 1 324.388 1.938 10 0 DDAEMN O=C([C@H]1CC(F)(F)CN1)N1CCCN(Cc2ccccc2)CC1 ZINC000262729581 407910593 /nfs/dbraw/zinc/91/05/93/407910593.db2.gz BJGLJAGJUIDPCY-OAHLLOKOSA-N 0 1 323.387 1.718 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@H]2CC=CCC2)C1 ZINC000262938425 407978092 /nfs/dbraw/zinc/97/80/92/407978092.db2.gz HDUODBCXOFBEHI-IYXRBSQSSA-N 0 1 309.410 1.579 10 0 DDAEMN CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](N)COC)oc21 ZINC000263113377 408028901 /nfs/dbraw/zinc/02/89/01/408028901.db2.gz FFWHBCLLCDKPSL-ZYHUDNBSSA-N 0 1 306.362 1.982 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000263193708 408053594 /nfs/dbraw/zinc/05/35/94/408053594.db2.gz GQGCKYGGXMSZBV-XGNXJENSSA-N 0 1 311.426 1.802 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NCc2cccc(F)c2)C[C@@H]1C ZINC000245854588 408080954 /nfs/dbraw/zinc/08/09/54/408080954.db2.gz GZUKLQSGVGBLRT-STQMWFEESA-N 0 1 309.385 1.422 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccnc(C)c3)CCO2)n[nH]1 ZINC000119587596 408099621 /nfs/dbraw/zinc/09/96/21/408099621.db2.gz NUVUNBIDLIPIRI-LBPRGKRZSA-N 0 1 316.365 1.676 10 0 DDAEMN CC[C@@H]1CN(C(=O)C2(CCOC)CCC2)CCN1C[C@H](C)O ZINC000245986982 408113803 /nfs/dbraw/zinc/11/38/03/408113803.db2.gz FLYIOPHRUHJSDL-LSDHHAIUSA-N 0 1 312.454 1.497 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000175392961 408118435 /nfs/dbraw/zinc/11/84/35/408118435.db2.gz DGHYJZSLBDYTJA-ZDUSSCGKSA-N 0 1 312.435 1.800 10 0 DDAEMN CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000263401488 408130238 /nfs/dbraw/zinc/13/02/38/408130238.db2.gz IGKVQOXTDUDAJL-CYBMUJFWSA-N 0 1 317.345 1.512 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccccn3)C2=O)n(C)n1 ZINC000182339379 408130871 /nfs/dbraw/zinc/13/08/71/408130871.db2.gz WABHQOXAZJNSHR-ZFWWWQNUSA-N 0 1 313.405 1.970 10 0 DDAEMN CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)CC(=O)[O-])n1 ZINC000263430366 408138279 /nfs/dbraw/zinc/13/82/79/408138279.db2.gz SNINTLWFCOHFPH-BXUZGUMPSA-N 0 1 308.382 1.613 10 0 DDAEMN C=Cn1cc(CNC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cn1 ZINC000263536557 408167844 /nfs/dbraw/zinc/16/78/44/408167844.db2.gz ZNLSPZDAOSDDDS-UHFFFAOYSA-N 0 1 304.394 1.401 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000246191052 408168805 /nfs/dbraw/zinc/16/88/05/408168805.db2.gz NZUBVMYYZQRHNC-GXFFZTMASA-N 0 1 318.389 1.972 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000150971993 408233680 /nfs/dbraw/zinc/23/36/80/408233680.db2.gz FRMQVRJMLQTMLC-QWHCGFSZSA-N 0 1 305.426 1.666 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@@H]2CCOC2)C[C@@H]1CC ZINC000176092642 408285516 /nfs/dbraw/zinc/28/55/16/408285516.db2.gz VYRQARUKIUODKZ-CVEARBPZSA-N 0 1 312.454 1.762 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246540435 408286510 /nfs/dbraw/zinc/28/65/10/408286510.db2.gz SQGBYDRGMCFVKX-KKUMJFAQSA-N 0 1 311.470 1.332 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCc3[nH]ncc31)CC2 ZINC000134357926 162078068 /nfs/dbraw/zinc/07/80/68/162078068.db2.gz HXDGIAQVOHSQJW-MNOVXSKESA-N 0 1 314.393 1.115 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2cccc(F)c2)CCN1C[C@H](C)O ZINC000247083744 408402417 /nfs/dbraw/zinc/40/24/17/408402417.db2.gz HDSMXMUQBKXLJS-BBRMVZONSA-N 0 1 323.412 1.541 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247109971 408409093 /nfs/dbraw/zinc/40/90/93/408409093.db2.gz IZABESOQVGLLLL-HRCADAONSA-N 0 1 313.486 1.458 10 0 DDAEMN C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247214803 408430575 /nfs/dbraw/zinc/43/05/75/408430575.db2.gz VPCYWLAYSSAKPF-GDBMZVCRSA-N 0 1 309.454 1.230 10 0 DDAEMN C[C@H](C(=O)NC1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247214803 408430580 /nfs/dbraw/zinc/43/05/80/408430580.db2.gz VPCYWLAYSSAKPF-GDBMZVCRSA-N 0 1 309.454 1.230 10 0 DDAEMN Cc1cc(N2CC[C@@H](N[C@H](CO)c3ccccc3)C2=O)n(C)n1 ZINC000183642225 408462000 /nfs/dbraw/zinc/46/20/00/408462000.db2.gz VAKAXSHUDIUAQO-HUUCEWRRSA-N 0 1 314.389 1.157 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N(CC)CC)C[C@@H]1CC ZINC000247404705 408464399 /nfs/dbraw/zinc/46/43/99/408464399.db2.gz YYBKLYVMKDTXJV-CVEARBPZSA-N 0 1 313.486 1.676 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)[C@H](C)CC)CCO2)n[nH]1 ZINC000247423620 408467305 /nfs/dbraw/zinc/46/73/05/408467305.db2.gz ZFUWVZDLSOPLCZ-UTUOFQBUSA-N 0 1 309.414 1.885 10 0 DDAEMN CCCCOCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248144501 408537668 /nfs/dbraw/zinc/53/76/68/408537668.db2.gz QAAZYVBSDLKWFC-DOTOQJQBSA-N 0 1 312.454 1.546 10 0 DDAEMN CCOC(=O)C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000177788149 408713837 /nfs/dbraw/zinc/71/38/37/408713837.db2.gz UDMFCUBFYYAREM-UKRRQHHQSA-N 0 1 306.406 1.617 10 0 DDAEMN CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O)N(C)C ZINC000162283928 408684644 /nfs/dbraw/zinc/68/46/44/408684644.db2.gz NRAUDHWZBQNXKL-CVEARBPZSA-N 0 1 317.433 1.947 10 0 DDAEMN CC(C)c1nnc2n1C[C@H](NC(=O)CN1CCC(C)CC1)CC2 ZINC000178071340 408769746 /nfs/dbraw/zinc/76/97/46/408769746.db2.gz QDKFXGDOMHKYRF-CQSZACIVSA-N 0 1 319.453 1.564 10 0 DDAEMN OC[C@H]1C[C@@H](O)CN1CCCc1ccccc1Br ZINC000185147171 408770285 /nfs/dbraw/zinc/77/02/85/408770285.db2.gz LTBUPCYJRQXLSC-CHWSQXEVSA-N 0 1 314.223 1.809 10 0 DDAEMN C[C@H]1OCCC[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000191925327 163209102 /nfs/dbraw/zinc/20/91/02/163209102.db2.gz SFIJEKSARCXKOW-GDBMZVCRSA-N 0 1 310.438 1.372 10 0 DDAEMN Cn1cc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cn1 ZINC000343467280 410474833 /nfs/dbraw/zinc/47/48/33/410474833.db2.gz WTPKMTOLNXRUIE-WBVHZDCISA-N 0 1 311.389 1.409 10 0 DDAEMN CN(C)[C@H](CNc1nccc(C(F)(F)F)n1)c1cnn(C)c1 ZINC000301261138 410687136 /nfs/dbraw/zinc/68/71/36/410687136.db2.gz CYWSCANKAVFALM-SNVBAGLBSA-N 0 1 314.315 1.944 10 0 DDAEMN CCc1nc(NC(=O)C(=O)N[C@H]2CCCN(CC)C2)sc1C ZINC000192738923 222134346 /nfs/dbraw/zinc/13/43/46/222134346.db2.gz CNMXCFDDWAVYIV-NSHDSACASA-N 0 1 324.450 1.553 10 0 DDAEMN NC(=O)c1cnccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302175848 230142954 /nfs/dbraw/zinc/14/29/54/230142954.db2.gz OIRXYVQIJFKWPI-UHFFFAOYSA-N 0 1 313.361 1.825 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(Br)cn1 ZINC000562311570 421351483 /nfs/dbraw/zinc/35/14/83/421351483.db2.gz OURFMFPBOYJKKW-JQWIXIFHSA-N 0 1 314.227 1.825 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@H]1CCC[C@H]1O ZINC000637966127 422515607 /nfs/dbraw/zinc/51/56/07/422515607.db2.gz XDWJNGUGESPFRN-LCGIIJARSA-N 0 1 306.406 1.196 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248427460 276292052 /nfs/dbraw/zinc/29/20/52/276292052.db2.gz OSDLHQUPJXSTJF-OWCLPIDISA-N 0 1 312.454 1.617 10 0 DDAEMN CN1CCN2CCN(c3cnc4ccc(Cl)cc4n3)C[C@@H]2C1 ZINC000065387591 277115688 /nfs/dbraw/zinc/11/56/88/277115688.db2.gz QECUKMNXTXPXEG-ZDUSSCGKSA-N 0 1 317.824 1.719 10 0 DDAEMN CN1CCO[C@H]2CN(c3nc(-c4ccccc4)ns3)C[C@H]21 ZINC000301674442 277132120 /nfs/dbraw/zinc/13/21/20/277132120.db2.gz RSVQFQLUIIYAQT-OLZOCXBDSA-N 0 1 302.403 1.724 10 0 DDAEMN Cc1cc(CS(C)(=O)=O)c(C)c(-c2cnnc(O)c2O)c1 ZINC000584630550 337376745 /nfs/dbraw/zinc/37/67/45/337376745.db2.gz TVOFKGAJUGEYKD-UHFFFAOYSA-N 0 1 308.359 1.716 10 0 DDAEMN Cc1noc(COCC(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)n1 ZINC000328733300 534417472 /nfs/dbraw/zinc/41/74/72/534417472.db2.gz JNSCEDRRSIOJRI-LLVKDONJSA-N 0 1 320.353 1.075 10 0 DDAEMN COC1(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)CCC1 ZINC000333694094 536626234 /nfs/dbraw/zinc/62/62/34/536626234.db2.gz MWHBLWPDHZFFJV-ZDUSSCGKSA-N 0 1 306.410 1.805 10 0 DDAEMN CCOc1cc(C)nc(N2CCN(CCC3OCCO3)CC2)n1 ZINC000124192805 696740210 /nfs/dbraw/zinc/74/02/10/696740210.db2.gz LUNXABPHLZGDNC-UHFFFAOYSA-N 0 1 322.409 1.069 10 0 DDAEMN COc1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)cc1OC ZINC000126903100 696766596 /nfs/dbraw/zinc/76/65/96/696766596.db2.gz AQFXKWNGGDEUPO-YPMHNXCESA-N 0 1 313.419 1.932 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(NC=O)cc2)CCN1C[C@@H](C)O ZINC000173361936 697377228 /nfs/dbraw/zinc/37/72/28/697377228.db2.gz AJDAEBYJBFEEER-CJNGLKHVSA-N 0 1 319.405 1.172 10 0 DDAEMN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccc(F)nc2)cc1 ZINC000189111903 697571218 /nfs/dbraw/zinc/57/12/18/697571218.db2.gz VUSIHQCBEJFZAM-HIFRSBDPSA-N 0 1 321.308 1.313 10 0 DDAEMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H]1CCCO[C@@H]1C ZINC000192194553 697622238 /nfs/dbraw/zinc/62/22/38/697622238.db2.gz LCWCNHPTEGUALV-HZSPNIEDSA-N 0 1 310.394 1.442 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC000262241390 698460670 /nfs/dbraw/zinc/46/06/70/698460670.db2.gz HTSABINBLMNTDV-MWLCHTKSSA-N 0 1 320.311 1.563 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2cscn2)C1 ZINC000702837234 699233389 /nfs/dbraw/zinc/23/33/89/699233389.db2.gz IZQYYMWYULRQJY-CMPLNLGQSA-N 0 1 313.423 1.461 10 0 DDAEMN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720637277 699307101 /nfs/dbraw/zinc/30/71/01/699307101.db2.gz MPXHYTMBTQVNJS-JTQLQIEISA-N 0 1 322.166 1.940 10 0 DDAEMN Cc1c(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C(N)=O)ccn1C ZINC000828187410 706134934 /nfs/dbraw/zinc/13/49/34/706134934.db2.gz WKRUVDOYWNCQJG-CYBMUJFWSA-N 0 1 315.377 1.523 10 0 DDAEMN O=C1COc2ccc(CN3CCCC[C@H]3c3nnc[nH]3)cc2N1 ZINC000895198026 711451083 /nfs/dbraw/zinc/45/10/83/711451083.db2.gz LUIZNYYSEBXZDB-ZDUSSCGKSA-N 0 1 313.361 1.863 10 0 DDAEMN CC[C@H](O)[C@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(COC)n1 ZINC000908251609 712720248 /nfs/dbraw/zinc/72/02/48/712720248.db2.gz IHBVYROXKRPBHF-SRVKXCTJSA-N 0 1 310.398 1.412 10 0 DDAEMN Cc1csc2nc(C)nc(N3C[C@H]4OCCN(C)[C@H]4C3)c12 ZINC000127198281 719460234 /nfs/dbraw/zinc/46/02/34/719460234.db2.gz JQQJCDCNTJYZNX-NWDGAFQWSA-N 0 1 304.419 1.827 10 0 DDAEMN CC[C@@H]1CN([C@H]2CCCN(C(C)C)C2=O)CCN1C[C@@H](C)O ZINC000248370815 282079999 /nfs/dbraw/zinc/07/99/99/282079999.db2.gz XZJBLUSGQWLAPB-OAGGEKHMSA-N 0 1 311.470 1.163 10 0 DDAEMN C[C@H](O)CN1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000248443134 282083160 /nfs/dbraw/zinc/08/31/60/282083160.db2.gz FKNYDUBFLSWPEE-GJZGRUSLSA-N 0 1 314.470 1.885 10 0 DDAEMN CC[C@H](C)S(=O)(=O)C[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000081938113 192342131 /nfs/dbraw/zinc/34/21/31/192342131.db2.gz WEFVAFIAAPFGTR-CMPLNLGQSA-N 0 1 301.408 1.917 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(c2nc(CC)ns2)CC1 ZINC000087639966 185229831 /nfs/dbraw/zinc/22/98/31/185229831.db2.gz IMSMNMWAFCEZEU-JTQLQIEISA-N 0 1 313.496 1.677 10 0 DDAEMN CCC(C)(C)N(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087900740 185236642 /nfs/dbraw/zinc/23/66/42/185236642.db2.gz SFXNRLICUPRCNB-UHFFFAOYSA-N 0 1 316.427 1.441 10 0 DDAEMN C[NH+]1CCN([C@H](C(=O)[O-])c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000088045395 185238058 /nfs/dbraw/zinc/23/80/58/185238058.db2.gz UJKATVQHVLFCBI-LBPRGKRZSA-N 0 1 312.753 1.442 10 0 DDAEMN CC1(C)CNCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000088139327 185240560 /nfs/dbraw/zinc/24/05/60/185240560.db2.gz BTCBYWQGPUQBLK-UHFFFAOYSA-N 0 1 306.790 1.852 10 0 DDAEMN CC(C)COC[C@@H](NC[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203416 539244043 /nfs/dbraw/zinc/24/40/43/539244043.db2.gz VNLCGGCOYCLZGU-LSDHHAIUSA-N 0 1 324.421 1.566 10 0 DDAEMN CCCCc1nnc(NC(=O)CN[C@@H](C)[C@@H]2CCCO2)s1 ZINC000183145975 539241213 /nfs/dbraw/zinc/24/12/13/539241213.db2.gz XEXXKFWJUWYITH-QWRGUYRKSA-N 0 1 312.439 1.976 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(C)C ZINC000183641138 539242837 /nfs/dbraw/zinc/24/28/37/539242837.db2.gz IIQJVXNLWRFRED-MLGOLLRUSA-N 0 1 323.412 1.705 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCOCC2(C)C)o1 ZINC000088544314 185256844 /nfs/dbraw/zinc/25/68/44/185256844.db2.gz AKOLUCRGQUPAGV-UHFFFAOYSA-N 0 1 302.396 1.189 10 0 DDAEMN C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389698 185293965 /nfs/dbraw/zinc/29/39/65/185293965.db2.gz BAHUWSMQFAHABE-GXSJLCMTSA-N 0 1 313.737 1.600 10 0 DDAEMN CCc1nc([C@H]2CN(c3nc(C(C)C)ns3)CCO2)n[nH]1 ZINC000301965455 529702622 /nfs/dbraw/zinc/70/26/22/529702622.db2.gz UVQPNMDYWWZKLN-SECBINFHSA-N 0 1 308.411 1.920 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cnccc1NC ZINC000092672979 185333216 /nfs/dbraw/zinc/33/32/16/185333216.db2.gz OQSQUUGEGLZUFV-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1sc(N)nc1C ZINC000092634013 185330255 /nfs/dbraw/zinc/33/02/55/185330255.db2.gz SNFBTYBMHZPESK-JTQLQIEISA-N 0 1 318.468 1.139 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC[C@H](C(F)(F)F)C1 ZINC000092780373 185340317 /nfs/dbraw/zinc/34/03/17/185340317.db2.gz NKDAVGVUSUCMFD-WPRPVWTQSA-N 0 1 302.300 1.225 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccccc2Cl)n[nH]1 ZINC000080526963 192164966 /nfs/dbraw/zinc/16/49/66/192164966.db2.gz BEQDAJOZSCKUTI-UHFFFAOYSA-N 0 1 300.771 1.587 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CC(C)(C)CC(C)=O)CCO2)n[nH]1 ZINC000191879649 186269359 /nfs/dbraw/zinc/26/93/59/186269359.db2.gz UXEULZFRYWCASG-LBPRGKRZSA-N 0 1 322.409 1.662 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc3c(c2)CCC3)CCO1 ZINC000262865810 186315850 /nfs/dbraw/zinc/31/58/50/186315850.db2.gz LVLADIXLAABAKV-KRWDZBQOSA-N 0 1 318.417 1.393 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(CCOC)[C@H](C)C1 ZINC000171929507 198009794 /nfs/dbraw/zinc/00/97/94/198009794.db2.gz HMYHRJXORINREB-WBVHZDCISA-N 0 1 320.433 1.943 10 0 DDAEMN Cc1ccccc1CNC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000172805726 198151829 /nfs/dbraw/zinc/15/18/29/198151829.db2.gz FUJZOQZKXRAOIN-QGZVFWFLSA-N 0 1 301.434 1.781 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3sccc3C)CCO2)n[nH]1 ZINC000173555531 198226204 /nfs/dbraw/zinc/22/62/04/198226204.db2.gz FXLPYZDHHNIJPK-SNVBAGLBSA-N 0 1 306.391 1.951 10 0 DDAEMN CCn1cc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000173853452 198261101 /nfs/dbraw/zinc/26/11/01/198261101.db2.gz BQNCLATVOAXCGO-AWEZNQCLSA-N 0 1 316.409 1.230 10 0 DDAEMN CC(=O)c1csc(NS(=O)(=O)N2CCC[C@@H](C)C2)n1 ZINC000080835565 192193919 /nfs/dbraw/zinc/19/39/19/192193919.db2.gz SPQBTNSSEFEOFZ-MRVPVSSYSA-N 0 1 303.409 1.734 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000080868836 192197170 /nfs/dbraw/zinc/19/71/70/192197170.db2.gz ZBCUJGCWKDUOPY-ZETCQYMHSA-N 0 1 315.424 1.266 10 0 DDAEMN O=C([O-])[C@@H]1CCCCC[N@@H+]1CC(=O)NCCc1cccs1 ZINC000080992821 192209905 /nfs/dbraw/zinc/20/99/05/192209905.db2.gz VERDPNCZFBSTOH-ZDUSSCGKSA-N 0 1 310.419 1.736 10 0 DDAEMN O=C([O-])[C@@H]1CCCCC[N@H+]1CC(=O)NCCc1cccs1 ZINC000080992821 192209907 /nfs/dbraw/zinc/20/99/07/192209907.db2.gz VERDPNCZFBSTOH-ZDUSSCGKSA-N 0 1 310.419 1.736 10 0 DDAEMN CC(C)OCCCNC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000080992876 192209952 /nfs/dbraw/zinc/20/99/52/192209952.db2.gz SHSUXASDIGXIGR-ZDUSSCGKSA-N 0 1 300.399 1.247 10 0 DDAEMN CC(C)OCCCNC(=O)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000080992876 192209955 /nfs/dbraw/zinc/20/99/55/192209955.db2.gz SHSUXASDIGXIGR-ZDUSSCGKSA-N 0 1 300.399 1.247 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCc1cn[nH]c1C ZINC000081528733 192283540 /nfs/dbraw/zinc/28/35/40/192283540.db2.gz VXWPYAMARXGKSY-ZDUSSCGKSA-N 0 1 317.397 1.385 10 0 DDAEMN COC(=O)c1cncc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000180586223 199180765 /nfs/dbraw/zinc/18/07/65/199180765.db2.gz DUIQZESHUFXUHJ-AWEZNQCLSA-N 0 1 318.377 1.570 10 0 DDAEMN CN(CC(C)(C)C)S(=O)(=O)c1n[nH]cc1CNC1CC1 ZINC000089013378 192698811 /nfs/dbraw/zinc/69/88/11/192698811.db2.gz OBJWRAMAZMFXDP-UHFFFAOYSA-N 0 1 300.428 1.328 10 0 DDAEMN CN1C(=O)CC[C@H](n2c(=O)c3ccccc3[nH]c2=S)C1=O ZINC000090032660 192920865 /nfs/dbraw/zinc/92/08/65/192920865.db2.gz CXWWJLXJEFYAHN-JTQLQIEISA-N 0 1 303.343 1.379 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000091219103 193022234 /nfs/dbraw/zinc/02/22/34/193022234.db2.gz VCXYTYKOMWSVEZ-RCOVLWMOSA-N 0 1 308.288 1.964 10 0 DDAEMN Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)[n-]c(=O)c1Br ZINC000091687345 193091453 /nfs/dbraw/zinc/09/14/53/193091453.db2.gz SJIIWWYDYMWWQI-BDAKNGLRSA-N 0 1 314.183 1.377 10 0 DDAEMN CC(C)c1nc([C@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687415 193091791 /nfs/dbraw/zinc/09/17/91/193091791.db2.gz GTLATJRHHHXEPM-MRVPVSSYSA-N 0 1 316.199 1.659 10 0 DDAEMN Cc1nc(N)sc1-c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686008 193092156 /nfs/dbraw/zinc/09/21/56/193092156.db2.gz PJNSEGPDWGWVPW-BDAKNGLRSA-N 0 1 307.379 1.619 10 0 DDAEMN CN[C@@H](C(=O)N1CCc2cc(OC)ccc21)c1cnn(C)c1 ZINC000262600417 203346596 /nfs/dbraw/zinc/34/65/96/203346596.db2.gz XRMZYMZWKBPFJN-OAHLLOKOSA-N 0 1 300.362 1.279 10 0 DDAEMN CCS(=O)(=O)[C@H]1CSCCN1c1cccc(F)c1CN ZINC000093395558 193243343 /nfs/dbraw/zinc/24/33/43/193243343.db2.gz NWKINKVEXWPKBN-ZDUSSCGKSA-N 0 1 318.439 1.598 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H]1CCn1cc(Br)cn1 ZINC000093598412 193273177 /nfs/dbraw/zinc/27/31/77/193273177.db2.gz MXDODCOCJMVAIF-JOYOIKCWSA-N 0 1 316.199 1.706 10 0 DDAEMN CN(CCS(C)(=O)=O)c1n[nH]c(=S)n1-c1ccccc1 ZINC000094299241 193358134 /nfs/dbraw/zinc/35/81/34/193358134.db2.gz NZAQDDCWIMZJSW-UHFFFAOYSA-N 0 1 312.420 1.411 10 0 DDAEMN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CCN1C ZINC000094335325 193360420 /nfs/dbraw/zinc/36/04/20/193360420.db2.gz IERBCAAHKGTDAH-QMMMGPOBSA-N 0 1 302.300 1.340 10 0 DDAEMN O=C([C@H]1CCCN1c1ncc(Cl)cc1F)N1CCNCC1 ZINC000094052497 193341962 /nfs/dbraw/zinc/34/19/62/193341962.db2.gz HBEFELZJJGQIEL-GFCCVEGCSA-N 0 1 312.776 1.275 10 0 DDAEMN NCc1sccc1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000094445245 193371901 /nfs/dbraw/zinc/37/19/01/193371901.db2.gz KFMXBHZSSRAXMU-LLVKDONJSA-N 0 1 315.464 1.066 10 0 DDAEMN COCCCN(CCOC)Cc1ccc(C(N)=S)cc1F ZINC000042422379 183268095 /nfs/dbraw/zinc/26/80/95/183268095.db2.gz ONFKZCYWHQORPF-UHFFFAOYSA-N 0 1 314.426 1.945 10 0 DDAEMN COc1ccc(C(=O)N[C@@H]2CCN(C)C2)cc1Br ZINC000042374809 183260554 /nfs/dbraw/zinc/26/05/54/183260554.db2.gz AMUTUXAHRWLWOF-SNVBAGLBSA-N 0 1 313.195 1.892 10 0 DDAEMN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccc(C(N)=O)cc1 ZINC000284740343 218157223 /nfs/dbraw/zinc/15/72/23/218157223.db2.gz UTCWGHHMHFTDSS-GVDBMIGSSA-N 0 1 318.417 1.801 10 0 DDAEMN COc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c(F)c1 ZINC000284723837 218150152 /nfs/dbraw/zinc/15/01/52/218150152.db2.gz SOMWAPUYDMKANU-AAEUAGOBSA-N 0 1 310.369 1.625 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000105821390 194136582 /nfs/dbraw/zinc/13/65/82/194136582.db2.gz LMSOTTNLIWNUII-JKSUJKDBSA-N 0 1 319.449 1.032 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000105823251 194137176 /nfs/dbraw/zinc/13/71/76/194137176.db2.gz FZMKUOUXIYGUTE-JKSUJKDBSA-N 0 1 314.433 1.759 10 0 DDAEMN CC(C)CNC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802686 194131668 /nfs/dbraw/zinc/13/16/68/194131668.db2.gz PDGNPHSOEGIKBK-CQSZACIVSA-N 0 1 305.426 1.149 10 0 DDAEMN CCCc1nc(CN2CCN(CCOCC)[C@H](CC)C2)no1 ZINC000105838535 194144297 /nfs/dbraw/zinc/14/42/97/194144297.db2.gz ALPATKPVSZEHMW-CQSZACIVSA-N 0 1 310.442 1.955 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932587 194172881 /nfs/dbraw/zinc/17/28/81/194172881.db2.gz WTMISXDVWHIUPJ-PWSUYJOCSA-N 0 1 313.348 1.212 10 0 DDAEMN CCC1CCC(NC(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000106538579 194227202 /nfs/dbraw/zinc/22/72/02/194227202.db2.gz RAENTTLZTYZIKN-QQFBHYJXSA-N 0 1 310.486 1.890 10 0 DDAEMN Cc1cccc(N)c1S(=O)(=O)N[C@@H](CC(C)C)CN(C)C ZINC000049554592 183741136 /nfs/dbraw/zinc/74/11/36/183741136.db2.gz GJPHZOYUTMEMGT-ZDUSSCGKSA-N 0 1 313.467 1.832 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000060510931 184151065 /nfs/dbraw/zinc/15/10/65/184151065.db2.gz BRNCURYIEBIGAO-CQSZACIVSA-N 0 1 300.399 1.729 10 0 DDAEMN CCN(CC(F)(F)F)C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061146180 184163159 /nfs/dbraw/zinc/16/31/59/184163159.db2.gz GOQPBKAQSQCRLG-UHFFFAOYSA-N 0 1 311.304 1.083 10 0 DDAEMN CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C[C@H](C)C(=O)[O-] ZINC000061221312 184166457 /nfs/dbraw/zinc/16/64/57/184166457.db2.gz YBMKLSQASBMIRF-VIFPVBQESA-N 0 1 300.305 1.946 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(N)c1 ZINC000061642473 184180407 /nfs/dbraw/zinc/18/04/07/184180407.db2.gz FGOMJTMVSCMWOM-SNVBAGLBSA-N 0 1 301.387 1.123 10 0 DDAEMN C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccnc(NN)c1 ZINC000062190486 184217658 /nfs/dbraw/zinc/21/76/58/184217658.db2.gz NXTNJHVBQFZWTQ-LLVKDONJSA-N 0 1 306.391 1.277 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000062937783 184261078 /nfs/dbraw/zinc/26/10/78/184261078.db2.gz MLDGGGGOHWZYGX-WFASDCNBSA-N 0 1 300.399 1.104 10 0 DDAEMN CCCc1cc(=O)[n-]c(SCC[C@@H]([NH2+]C(C)C)C(N)=O)n1 ZINC000062599216 184244974 /nfs/dbraw/zinc/24/49/74/184244974.db2.gz RAEXUPOCGROQGS-LLVKDONJSA-N 0 1 312.439 1.057 10 0 DDAEMN O=S(=O)(c1ccc2c(c1)CCC2)N1CCc2nc[nH]c2C1 ZINC000065164423 184313307 /nfs/dbraw/zinc/31/33/07/184313307.db2.gz CGWGWUGOZNKVAM-UHFFFAOYSA-N 0 1 303.387 1.645 10 0 DDAEMN CCOC(=O)[C@@](C)(N)C[C@@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000068642600 184495489 /nfs/dbraw/zinc/49/54/89/184495489.db2.gz BAKQBUNRNGVTOV-RNCFNFMXSA-N 0 1 316.427 1.304 10 0 DDAEMN CCc1nc(CN2CCC(N(C)c3cccnn3)CC2)n[nH]1 ZINC000158329676 197263342 /nfs/dbraw/zinc/26/33/42/197263342.db2.gz UUHDLRRZWSPCPJ-UHFFFAOYSA-N 0 1 301.398 1.258 10 0 DDAEMN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000157748126 197212531 /nfs/dbraw/zinc/21/25/31/197212531.db2.gz MUUDNZMOZDHUQG-MNOVXSKESA-N 0 1 310.419 1.408 10 0 DDAEMN CN(C)C(=O)CO[C@@H]1CCOC2(CN(CC3CCCCC3)C2)C1 ZINC000247948190 257114141 /nfs/dbraw/zinc/11/41/41/257114141.db2.gz BLLKCMHGMMDVAY-MRXNPFEDSA-N 0 1 324.465 1.905 10 0 DDAEMN c1cnc(NC[C@@H]2CO[C@H]3CN(Cc4ccncc4)C[C@@H]23)nc1 ZINC000247829111 257117460 /nfs/dbraw/zinc/11/74/60/257117460.db2.gz KLAAUSFEDXISOW-PMPSAXMXSA-N 0 1 311.389 1.431 10 0 DDAEMN O=C(C[C@@H]1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2O1)N1CCCC1 ZINC000247756332 257117912 /nfs/dbraw/zinc/11/79/12/257117912.db2.gz DQAUUQFUGVSBTD-PVAVHDDUSA-N 0 1 315.417 1.683 10 0 DDAEMN c1cc(CN2C[C@@H]3OC[C@@H](CNc4ncccn4)[C@@H]3C2)co1 ZINC000253477732 257105486 /nfs/dbraw/zinc/10/54/86/257105486.db2.gz HIJLSJOGTKNJDV-ILXRZTDVSA-N 0 1 300.362 1.629 10 0 DDAEMN Cc1nnc(C[C@@H]2OC[C@H]3CN(c4ncc(F)cn4)CC[C@@H]32)[nH]1 ZINC000503717425 257209870 /nfs/dbraw/zinc/20/98/70/257209870.db2.gz NKGXZUZTIKMSOJ-WXHSDQCUSA-N 0 1 318.356 1.126 10 0 DDAEMN Cc1nc(C[C@@H]2OC[C@H]3CN(c4ncc(F)cn4)CC[C@@H]32)n[nH]1 ZINC000503717425 257209872 /nfs/dbraw/zinc/20/98/72/257209872.db2.gz NKGXZUZTIKMSOJ-WXHSDQCUSA-N 0 1 318.356 1.126 10 0 DDAEMN CCCC(=O)OC[C@@H](O)CN(CCOC)Cc1ccc(C)o1 ZINC000036097591 406976086 /nfs/dbraw/zinc/97/60/86/406976086.db2.gz NHUZTUKGFNCMJP-AWEZNQCLSA-N 0 1 313.394 1.741 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000075518349 406934263 /nfs/dbraw/zinc/93/42/63/406934263.db2.gz YBLVARUIMMASFY-SKDRFNHKSA-N 0 1 303.387 1.974 10 0 DDAEMN COC(=O)c1cc2n(n1)CCN(C[C@@H]1CCOC(C)(C)C1)C2 ZINC000065455442 407243034 /nfs/dbraw/zinc/24/30/34/407243034.db2.gz UZITYKJRXKHKGH-GFCCVEGCSA-N 0 1 307.394 1.691 10 0 DDAEMN Cc1cc(CC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)[nH]n1 ZINC000122841752 407312300 /nfs/dbraw/zinc/31/23/00/407312300.db2.gz XOOHNYNUXQPCLW-NSHDSACASA-N 0 1 302.382 1.107 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 ZINC000105884868 407356348 /nfs/dbraw/zinc/35/63/48/407356348.db2.gz SWGICEJANPVKEY-INIZCTEOSA-N 0 1 319.453 1.619 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCN(C[C@H](O)CC)CC1 ZINC000123627450 407335210 /nfs/dbraw/zinc/33/52/10/407335210.db2.gz KAMSQCBGQHWUNP-CQSZACIVSA-N 0 1 308.470 1.433 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCCn3nc(C)nc32)n[nH]1 ZINC000124895608 407373307 /nfs/dbraw/zinc/37/33/07/407373307.db2.gz AMNSFFYFVUONKC-TVQRCGJNSA-N 0 1 317.397 1.383 10 0 DDAEMN CN1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119426 407394796 /nfs/dbraw/zinc/39/47/96/407394796.db2.gz MUYBFCHRQXFKKQ-ZIAGYGMSSA-N 0 1 323.387 1.432 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000112548496 407432004 /nfs/dbraw/zinc/43/20/04/407432004.db2.gz LGLMPLPBYBKMLU-BXUZGUMPSA-N 0 1 311.813 1.587 10 0 DDAEMN Cc1nc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)sc1C ZINC000112548542 407432220 /nfs/dbraw/zinc/43/22/20/407432220.db2.gz MOQNJCASNZSRHT-CMPLNLGQSA-N 0 1 312.439 1.007 10 0 DDAEMN C[N@@H+](Cc1cnc(N)s1)C1CCN(CCn2cccn2)CC1 ZINC000261688474 407580992 /nfs/dbraw/zinc/58/09/92/407580992.db2.gz ASAPDHLMSNBBIR-UHFFFAOYSA-N 0 1 320.466 1.518 10 0 DDAEMN Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000170873607 407542581 /nfs/dbraw/zinc/54/25/81/407542581.db2.gz AEPLWMGHGKDYDU-GFCCVEGCSA-N 0 1 302.827 1.973 10 0 DDAEMN CONS(=O)(=O)c1cc(Br)cnc1Cl ZINC000226370081 407618165 /nfs/dbraw/zinc/61/81/65/407618165.db2.gz IHWJDFGIHDKMHX-UHFFFAOYSA-N 0 1 301.549 1.337 10 0 DDAEMN O=C(NCc1ccc(CO)c(F)c1)N1CCN2CCCC[C@H]2C1 ZINC000171673329 407738265 /nfs/dbraw/zinc/73/82/65/407738265.db2.gz YSWGUWBHTASJQW-HNNXBMFYSA-N 0 1 321.396 1.698 10 0 DDAEMN Cn1cc([C@H]2CCN(Cc3nc(N)c4ccccc4n3)C2)cn1 ZINC000116316255 407743413 /nfs/dbraw/zinc/74/34/13/407743413.db2.gz GCYYKJNHTVTPRO-LBPRGKRZSA-N 0 1 308.389 1.935 10 0 DDAEMN O=S(=O)(c1c(F)cccc1F)N1CCN2CCC[C@@H]2C1 ZINC000171770568 407763548 /nfs/dbraw/zinc/76/35/48/407763548.db2.gz KGBFRNQTTONGKJ-SNVBAGLBSA-N 0 1 302.346 1.434 10 0 DDAEMN COC[C@H](N)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000262253514 407775499 /nfs/dbraw/zinc/77/54/99/407775499.db2.gz IULSOYQBDTYFKT-NSHDSACASA-N 0 1 313.195 1.528 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000262333242 407803494 /nfs/dbraw/zinc/80/34/94/407803494.db2.gz DWGQMPXJLIVHGX-CQSZACIVSA-N 0 1 319.405 1.580 10 0 DDAEMN CCOc1cc(C)nc(N2CCN(C[C@@H](C)COC)CC2)n1 ZINC000187231182 407834248 /nfs/dbraw/zinc/83/42/48/407834248.db2.gz RBKLJOSHUYARJW-CYBMUJFWSA-N 0 1 308.426 1.588 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2)CCN1CCOC ZINC000117399318 407836545 /nfs/dbraw/zinc/83/65/45/407836545.db2.gz BCMXWSRMBCZNCC-MRXNPFEDSA-N 0 1 305.422 1.939 10 0 DDAEMN O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262655388 407891922 /nfs/dbraw/zinc/89/19/22/407891922.db2.gz LLWNWWRGBWDQNC-PRJMDXOYSA-N 0 1 303.288 1.683 10 0 DDAEMN CN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173937437 407905865 /nfs/dbraw/zinc/90/58/65/407905865.db2.gz XAZHUNCCLQPFLA-DLBZAZTESA-N 0 1 317.433 1.222 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173994662 407909060 /nfs/dbraw/zinc/90/90/60/407909060.db2.gz MKHFLJOEMYOQAZ-HOTGVXAUSA-N 0 1 311.470 1.286 10 0 DDAEMN O=C(Nc1cnn(CC2CC2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000174450144 407947783 /nfs/dbraw/zinc/94/77/83/407947783.db2.gz SCLORZCNYKNJEZ-OAHLLOKOSA-N 0 1 303.410 1.995 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000262945581 407979495 /nfs/dbraw/zinc/97/94/95/407979495.db2.gz OBIODRBRMZFKAA-UHFFFAOYSA-N 0 1 322.380 1.766 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC2CCCCCC2)C1 ZINC000263093323 408024595 /nfs/dbraw/zinc/02/45/95/408024595.db2.gz VULQECFMKJFPRY-UHFFFAOYSA-N 0 1 311.426 1.946 10 0 DDAEMN C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000263148478 408040271 /nfs/dbraw/zinc/04/02/71/408040271.db2.gz HGLSJAXSNWHYBG-UPJWGTAASA-N 0 1 320.393 1.615 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)N[C@H]3CCCOCC3)CCO2)n[nH]1 ZINC000181828001 408045270 /nfs/dbraw/zinc/04/52/70/408045270.db2.gz DXUYHJGZBXPFJI-NWDGAFQWSA-N 0 1 323.397 1.019 10 0 DDAEMN COC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(F)c1 ZINC000245691800 408046701 /nfs/dbraw/zinc/04/67/01/408046701.db2.gz XKGXDOKSWVPVDP-OLZOCXBDSA-N 0 1 324.396 1.499 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cccc(C3CC3)c2)CCO1 ZINC000263351770 408114729 /nfs/dbraw/zinc/11/47/29/408114729.db2.gz PYUFJGMWYQMVCX-QGZVFWFLSA-N 0 1 318.417 1.781 10 0 DDAEMN CCOCC[N@H+]1CCN(c2cccc(C(=O)[O-])n2)C[C@H]1CC ZINC000263434137 408138970 /nfs/dbraw/zinc/13/89/70/408138970.db2.gz UTDBKHIHFJGIDI-CYBMUJFWSA-N 0 1 307.394 1.717 10 0 DDAEMN COc1ccc([C@H](C)C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000263443096 408140202 /nfs/dbraw/zinc/14/02/02/408140202.db2.gz XCGLAOKWGJMXRA-CHWSQXEVSA-N 0 1 322.405 1.710 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000246257815 408195225 /nfs/dbraw/zinc/19/52/25/408195225.db2.gz TYENGAINZCPQSR-GXFFZTMASA-N 0 1 318.389 1.972 10 0 DDAEMN COc1ccc(CN2CC[C@H](N3CCOCC3)C2)c(OC)c1 ZINC000120950757 408150659 /nfs/dbraw/zinc/15/06/59/408150659.db2.gz DNJYUHSZHXQSFH-HNNXBMFYSA-N 0 1 306.406 1.610 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccccn3)CCO2)n[nH]1 ZINC000151106290 408256872 /nfs/dbraw/zinc/25/68/72/408256872.db2.gz SDCPAYNDLGCVFA-GFCCVEGCSA-N 0 1 316.365 1.045 10 0 DDAEMN CCCCc1nc(CN2CCN(CCOC)[C@@H](CC)C2)no1 ZINC000246310168 408215396 /nfs/dbraw/zinc/21/53/96/408215396.db2.gz AIKUSTSUQZJDAN-AWEZNQCLSA-N 0 1 310.442 1.955 10 0 DDAEMN CCOCCN1CCN(c2cncc(OCC)n2)C[C@@H]1CC ZINC000131777452 162022765 /nfs/dbraw/zinc/02/27/65/162022765.db2.gz STZMFYZUMSQWER-AWEZNQCLSA-N 0 1 308.426 1.812 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246794727 408341042 /nfs/dbraw/zinc/34/10/42/408341042.db2.gz ARWRLMYXSGRXLF-DGCLKSJQSA-N 0 1 309.414 1.181 10 0 DDAEMN O=C(NC[C@@H]1CSCCS1)N1CCN2CCCC[C@@H]2C1 ZINC000132355522 162035429 /nfs/dbraw/zinc/03/54/29/162035429.db2.gz WNHDJHUGDBJILR-CHWSQXEVSA-N 0 1 315.508 1.715 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCCCSC)CCO2)n[nH]1 ZINC000141330118 162133871 /nfs/dbraw/zinc/13/38/71/162133871.db2.gz XLFYYSHHMJJIJQ-SNVBAGLBSA-N 0 1 313.427 1.203 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCc2ccccn2)C[C@@H]1C ZINC000246822424 408346821 /nfs/dbraw/zinc/34/68/21/408346821.db2.gz SPNOVNQZTANCRQ-GJZGRUSLSA-N 0 1 305.422 1.318 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246998326 408384216 /nfs/dbraw/zinc/38/42/16/408384216.db2.gz NRTWKFCOOAEKRQ-CMPLNLGQSA-N 0 1 309.414 1.180 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C)ccc3F)CCO2)n[nH]1 ZINC000173532085 162344873 /nfs/dbraw/zinc/34/48/73/162344873.db2.gz WABPLYVYOCQWSP-ZDUSSCGKSA-N 0 1 304.325 1.774 10 0 DDAEMN CCCCSCCC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173528903 162345938 /nfs/dbraw/zinc/34/59/38/162345938.db2.gz TWMVRYUWSIJMBJ-GFCCVEGCSA-N 0 1 312.439 1.936 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n[nH]1 ZINC000173533964 162346889 /nfs/dbraw/zinc/34/68/89/162346889.db2.gz DTOKSVLZGRJQMR-CQSZACIVSA-N 0 1 311.345 1.808 10 0 DDAEMN Cc1nc(C[C@H]2CCC[N@@H+](CCCN3CCOCC3)C2)no1 ZINC000173645319 162353417 /nfs/dbraw/zinc/35/34/17/162353417.db2.gz XDIVRFVBOPVXRA-OAHLLOKOSA-N 0 1 308.426 1.355 10 0 DDAEMN Cc1nc([C@@H]2CN(CCCOc3ccccc3)CCO2)n[nH]1 ZINC000173666021 162355399 /nfs/dbraw/zinc/35/53/99/162355399.db2.gz NIVDUWIBGLYUPF-HNNXBMFYSA-N 0 1 302.378 1.956 10 0 DDAEMN CC[C@H]1CCCCN1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173942766 162381045 /nfs/dbraw/zinc/38/10/45/162381045.db2.gz QRLUPBFTCRBAAF-HOTGVXAUSA-N 0 1 309.454 1.184 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173942747 162381094 /nfs/dbraw/zinc/38/10/94/162381094.db2.gz QRLUPBFTCRBAAF-CVEARBPZSA-N 0 1 309.454 1.184 10 0 DDAEMN COc1ccccc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000174005551 162385165 /nfs/dbraw/zinc/38/51/65/162385165.db2.gz BZIHEKVFWZNNNB-OLZOCXBDSA-N 0 1 312.435 1.702 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000158991357 408376410 /nfs/dbraw/zinc/37/64/10/408376410.db2.gz ZNOUCZRTPOHSTR-SOUVJXGZSA-N 0 1 309.454 1.480 10 0 DDAEMN COCCCOC1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000176504991 408382422 /nfs/dbraw/zinc/38/24/22/408382422.db2.gz FZTOLFOUCMELMQ-QGZVFWFLSA-N 0 1 320.433 1.423 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCCCCC2)CCN1C[C@H](C)O ZINC000247127844 408412342 /nfs/dbraw/zinc/41/23/42/408412342.db2.gz KEVPKJKOSJPMNP-HOTGVXAUSA-N 0 1 311.470 1.166 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3oc(C)cc3C)CCO2)n[nH]1 ZINC000176948101 408482526 /nfs/dbraw/zinc/48/25/26/408482526.db2.gz QJJDEQAKFCYRBI-LLVKDONJSA-N 0 1 304.350 1.791 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000247520623 408487699 /nfs/dbraw/zinc/48/76/99/408487699.db2.gz NJTUCOIRZXTZMZ-KGLIPLIRSA-N 0 1 322.796 1.873 10 0 DDAEMN CCCCOCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248144502 408536395 /nfs/dbraw/zinc/53/63/95/408536395.db2.gz QAAZYVBSDLKWFC-RDJZCZTQSA-N 0 1 312.454 1.546 10 0 DDAEMN Cn1cc(N2CCC[C@@H](N3CCN4CCCC[C@@H]4C3)C2=O)cn1 ZINC000177765450 408705671 /nfs/dbraw/zinc/70/56/71/408705671.db2.gz SPVCRYIDSZQRSZ-GDBMZVCRSA-N 0 1 317.437 1.086 10 0 DDAEMN O=c1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)[n-]c2ccsc21 ZINC000177763550 408706406 /nfs/dbraw/zinc/70/64/06/408706406.db2.gz IEAYYEGUFNYZBN-LLVKDONJSA-N 0 1 304.419 1.655 10 0 DDAEMN O=c1nc(CN2CC[N@H+]3CCCC[C@@H]3C2)[n-]c2ccsc21 ZINC000177763550 408706414 /nfs/dbraw/zinc/70/64/14/408706414.db2.gz IEAYYEGUFNYZBN-LLVKDONJSA-N 0 1 304.419 1.655 10 0 DDAEMN CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000194150089 408767800 /nfs/dbraw/zinc/76/78/00/408767800.db2.gz JWYFKSHNZJDNGY-CYBMUJFWSA-N 0 1 319.405 1.624 10 0 DDAEMN Cn1cc(C[N@@H+]2CCCN(CCOCC(F)F)CC2)cn1 ZINC000189198255 163088096 /nfs/dbraw/zinc/08/80/96/163088096.db2.gz LNSCLYDNKLUPIS-UHFFFAOYSA-N 0 1 302.369 1.210 10 0 DDAEMN Cn1cc(CN2CCCN(CCOCC(F)F)CC2)cn1 ZINC000189198255 163088100 /nfs/dbraw/zinc/08/81/00/163088100.db2.gz LNSCLYDNKLUPIS-UHFFFAOYSA-N 0 1 302.369 1.210 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000189338391 163096246 /nfs/dbraw/zinc/09/62/46/163096246.db2.gz MBKDJLLGUDJCDR-LLVKDONJSA-N 0 1 309.797 1.879 10 0 DDAEMN Cc1csc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000190105151 163129644 /nfs/dbraw/zinc/12/96/44/163129644.db2.gz QYVYASMBJUSMRI-WDEREUQCSA-N 0 1 308.407 1.085 10 0 DDAEMN O=C(CN1CCCCCCC1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195055230 163304394 /nfs/dbraw/zinc/30/43/94/163304394.db2.gz NBPLLLKNZSNZTO-OAHLLOKOSA-N 0 1 307.438 1.476 10 0 DDAEMN O=C(CN1CCCCCCC1=O)N1CCN2CCCC[C@@H]2C1 ZINC000195055230 163304395 /nfs/dbraw/zinc/30/43/95/163304395.db2.gz NBPLLLKNZSNZTO-OAHLLOKOSA-N 0 1 307.438 1.476 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1OCc1cscn1 ZINC000262355576 163812881 /nfs/dbraw/zinc/81/28/81/163812881.db2.gz JPWPXVYTFANLOH-LLVKDONJSA-N 0 1 307.375 1.634 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393563 163822450 /nfs/dbraw/zinc/82/24/50/163822450.db2.gz OLCORKQMRJOHNR-CABCVRRESA-N 0 1 320.368 1.081 10 0 DDAEMN Cc1cccnc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262732804 163871486 /nfs/dbraw/zinc/87/14/86/163871486.db2.gz UUDAOWBKMDPDPX-UHFFFAOYSA-N 0 1 317.389 1.447 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C)[C@H](C)C2)C1 ZINC000262953826 163896644 /nfs/dbraw/zinc/89/66/44/163896644.db2.gz BCBGRAHLPGXNLD-IWMBGFJWSA-N 0 1 311.426 1.611 10 0 DDAEMN CO[C@@H]1C[C@@H](CO)N(CCOc2ccc(F)cc2Cl)C1 ZINC000284473343 409345692 /nfs/dbraw/zinc/34/56/92/409345692.db2.gz BMDWWRSJIZRAIZ-NWDGAFQWSA-N 0 1 303.761 1.940 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccc(Cl)s1 ZINC000311907624 409796039 /nfs/dbraw/zinc/79/60/39/409796039.db2.gz GVQMMCYDFUJRLL-BDAKNGLRSA-N 0 1 324.855 1.370 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000313304804 409803617 /nfs/dbraw/zinc/80/36/17/409803617.db2.gz HPHXRTXOIOLEBB-GWCFXTLKSA-N 0 1 318.826 1.309 10 0 DDAEMN COC[C@@H]1C[C@@H](OC)CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000344347722 411095122 /nfs/dbraw/zinc/09/51/22/411095122.db2.gz GMSYZTOZKKAZEX-JKSUJKDBSA-N 0 1 306.406 1.624 10 0 DDAEMN CCc1nc([C@H]2CN(c3ccc4nccnc4n3)CCO2)n[nH]1 ZINC000131557638 196179755 /nfs/dbraw/zinc/17/97/55/196179755.db2.gz FWKREFKXPKUTNH-LLVKDONJSA-N 0 1 311.349 1.283 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2ccnc(Cl)c2)CC1 ZINC000132976661 196301479 /nfs/dbraw/zinc/30/14/79/196301479.db2.gz HCAMNXNMVCVZPM-XGACYXMMSA-N 0 1 323.824 1.663 10 0 DDAEMN CCOCCN1CCN(CCO[C@@H]2CCCCO2)C[C@@H]1C ZINC000193050383 222142498 /nfs/dbraw/zinc/14/24/98/222142498.db2.gz LKFABCYBTZSWMC-JKSUJKDBSA-N 0 1 300.443 1.572 10 0 DDAEMN CCn1cc(CN2CCCN(c3cncc(C)n3)CC2)cn1 ZINC000302240603 230196727 /nfs/dbraw/zinc/19/67/27/230196727.db2.gz XMSDLUUKTVOIMS-UHFFFAOYSA-N 0 1 300.410 1.714 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2cccc(O)c2)C[C@H]1C ZINC000492521611 420582520 /nfs/dbraw/zinc/58/25/20/420582520.db2.gz NAIOQAIEDUWLOQ-WJDZFGBRSA-N 0 1 304.390 1.319 10 0 DDAEMN COCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630675244 422261232 /nfs/dbraw/zinc/26/12/32/422261232.db2.gz SWNBAWGRCQJMHC-LSDHHAIUSA-N 0 1 320.389 1.209 10 0 DDAEMN COCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630675244 422261240 /nfs/dbraw/zinc/26/12/40/422261240.db2.gz SWNBAWGRCQJMHC-LSDHHAIUSA-N 0 1 320.389 1.209 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CCN1C[C@@H](C)O ZINC000182058897 263371398 /nfs/dbraw/zinc/37/13/98/263371398.db2.gz LXFYROKOKYXDKL-BCBDKAHJSA-N 0 1 319.405 1.104 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000167800239 274044021 /nfs/dbraw/zinc/04/40/21/274044021.db2.gz QERSLAMJWKQKTG-GHMZBOCLSA-N 0 1 300.811 1.967 10 0 DDAEMN CCN(C(=O)[C@H](C)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000105933661 281051572 /nfs/dbraw/zinc/05/15/72/281051572.db2.gz LMPPIQPVHPNYAZ-GOEBONIOSA-N 0 1 305.422 1.348 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)CCN1C[C@H](C)O ZINC000246680616 282006779 /nfs/dbraw/zinc/00/67/79/282006779.db2.gz AVIDJGOLVBINFR-KJJZUGDZSA-N 0 1 321.396 1.538 10 0 DDAEMN CCOc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(C)c1 ZINC000247225515 282039011 /nfs/dbraw/zinc/03/90/11/282039011.db2.gz CJPKBUIUNVUIHA-AWEZNQCLSA-N 0 1 324.446 1.862 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2CCn3ccnc3C2)n[nH]1 ZINC000328676893 293362137 /nfs/dbraw/zinc/36/21/37/293362137.db2.gz LSRFCYKDLQIWJI-OLZOCXBDSA-N 0 1 314.393 1.626 10 0 DDAEMN Cc1nnc([C@H]2CCCCN2C(=O)CN(C)[C@H]2CCSC2)[nH]1 ZINC000328693076 293382716 /nfs/dbraw/zinc/38/27/16/293382716.db2.gz RYBXVNWJININHJ-QWHCGFSZSA-N 0 1 323.466 1.604 10 0 DDAEMN C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000309886582 484379512 /nfs/dbraw/zinc/37/95/12/484379512.db2.gz LIBUNAIEHXIPEO-OLZOCXBDSA-N 0 1 307.394 1.527 10 0 DDAEMN CC[C@@H](O)CN1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000157615777 522998830 /nfs/dbraw/zinc/99/88/30/522998830.db2.gz DQUZQUXIPXSGPX-CQSZACIVSA-N 0 1 302.378 1.630 10 0 DDAEMN CC[C@@H]1CN(CN2C[C@H](C(C)C)CC2=O)CCN1CCOC ZINC000117324274 696670267 /nfs/dbraw/zinc/67/02/67/696670267.db2.gz BGMVXKDMJVAZBT-HZPDHXFCSA-N 0 1 311.470 1.491 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)C1CCOCC1 ZINC000179666953 697440276 /nfs/dbraw/zinc/44/02/76/697440276.db2.gz VSTXJPPGUAGXSM-JMJZKYOTSA-N 0 1 323.311 1.802 10 0 DDAEMN COc1ccc([C@@H](C)NCC(=O)N2CCO[C@H](C)C2)cc1OC ZINC000180884064 697453284 /nfs/dbraw/zinc/45/32/84/697453284.db2.gz KVAFNVJOPPXKNW-CHWSQXEVSA-N 0 1 322.405 1.602 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)n[nH]1 ZINC000191770827 697614268 /nfs/dbraw/zinc/61/42/68/697614268.db2.gz HQPMQMMYZWDWRC-OAHLLOKOSA-N 0 1 317.393 1.792 10 0 DDAEMN O=S(=O)(/C=C\c1ccccc1)NC[C@H](O)CN1CCCCC1 ZINC000255405749 698417732 /nfs/dbraw/zinc/41/77/32/698417732.db2.gz ZGWMMGVVBVJQGK-CKDIWJPDSA-N 0 1 324.446 1.424 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(F)cc1Br ZINC000262250319 698461434 /nfs/dbraw/zinc/46/14/34/698461434.db2.gz IPCLQFZIAUVBDT-JTQLQIEISA-N 0 1 305.147 1.178 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000262675163 698477811 /nfs/dbraw/zinc/47/78/11/698477811.db2.gz AEHKOKFYLRATEO-UHFFFAOYSA-N 0 1 316.467 1.916 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H](C)[C@H]2C)C1 ZINC000262946119 698485008 /nfs/dbraw/zinc/48/50/08/698485008.db2.gz AGNROPSYBXZJKI-IWMBGFJWSA-N 0 1 311.426 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@](C)(F)C2)C1 ZINC000263442049 698507036 /nfs/dbraw/zinc/50/70/36/698507036.db2.gz DTXNEXVQTVGIPU-QOZQQMKHSA-N 0 1 315.389 1.458 10 0 DDAEMN C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379617018 699059379 /nfs/dbraw/zinc/05/93/79/699059379.db2.gz MVYOTZMSHXCUBJ-UKRRQHHQSA-N 0 1 319.405 1.813 10 0 DDAEMN Cn1cc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(Br)n1 ZINC000714081029 699269110 /nfs/dbraw/zinc/26/91/10/699269110.db2.gz HPPCFHFDVARGDE-NHCYSSNCSA-N 0 1 314.227 1.775 10 0 DDAEMN CC(C)(NC(=O)[C@H]1C[C@@]12CCOc1ccccc12)c1c[nH]nn1 ZINC000734403716 699649568 /nfs/dbraw/zinc/64/95/68/699649568.db2.gz KOEPUOHGNKOBOH-SJKOYZFVSA-N 0 1 312.373 1.896 10 0 DDAEMN COc1ccc2c(c1)[C@H](C(=O)N1CCC[C@@H]1c1nn[nH]n1)CC2 ZINC000900391266 709571426 /nfs/dbraw/zinc/57/14/26/709571426.db2.gz BYPIBOKLUCZDIC-TZMCWYRMSA-N 0 1 313.361 1.602 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000248638789 282095126 /nfs/dbraw/zinc/09/51/26/282095126.db2.gz BCZIEKFOBNXHEI-KBPBESRZSA-N 0 1 308.413 1.825 10 0 DDAEMN C[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccc2c(c1)NC(=O)CO2 ZINC000081902384 192336949 /nfs/dbraw/zinc/33/69/49/192336949.db2.gz SIHWGLQYWCJLRN-VHSXEESVSA-N 0 1 312.391 1.101 10 0 DDAEMN C[C@H](C(=O)c1ccc(F)cc1)[S@](=O)CCS(C)(=O)=O ZINC000081910273 192338420 /nfs/dbraw/zinc/33/84/20/192338420.db2.gz KBQYLQRKIPVMSV-LZVRBXCZSA-N 0 1 306.380 1.190 10 0 DDAEMN CCCCS(=O)(=O)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000081974177 192348116 /nfs/dbraw/zinc/34/81/16/192348116.db2.gz ZDPFBTLRJWYXGY-CYBMUJFWSA-N 0 1 313.419 1.933 10 0 DDAEMN Cc1ccc([C@H](C)NCC(=O)NCC(=O)N2CCCC2)cc1F ZINC000181352855 539237889 /nfs/dbraw/zinc/23/78/89/539237889.db2.gz NZQGMCIVPHQXRI-ZDUSSCGKSA-N 0 1 321.396 1.523 10 0 DDAEMN CCc1nn(C)cc1CN1CCCN(Cc2noc(C)n2)CC1 ZINC000183395618 539242038 /nfs/dbraw/zinc/24/20/38/539242038.db2.gz SKOPAARVIJPRBK-UHFFFAOYSA-N 0 1 318.425 1.382 10 0 DDAEMN COC[C@@H]1CN(C[C@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000251869417 282205805 /nfs/dbraw/zinc/20/58/05/282205805.db2.gz OXKMWAGHRGQOGQ-PVAVHDDUSA-N 0 1 309.406 1.300 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCOC[C@H]2CC)o1 ZINC000088543940 185256639 /nfs/dbraw/zinc/25/66/39/185256639.db2.gz ZGNVQCQEPUIGOI-LLVKDONJSA-N 0 1 302.396 1.189 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](N)c1ccc(OCC)cc1 ZINC000081977837 192348787 /nfs/dbraw/zinc/34/87/87/192348787.db2.gz XSYLZVPSMXXRRZ-CYBMUJFWSA-N 0 1 315.391 1.063 10 0 DDAEMN Cc1csc([C@@H](C)NS(=O)(=O)c2c(C)[nH]nc2CO)n1 ZINC000088902743 185270670 /nfs/dbraw/zinc/27/06/70/185270670.db2.gz IOQLZSAQKRUDCD-MRVPVSSYSA-N 0 1 316.408 1.015 10 0 DDAEMN CCN[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990541 192350597 /nfs/dbraw/zinc/35/05/97/192350597.db2.gz RZSNICJVIHPTFG-HZPDHXFCSA-N 0 1 309.431 1.856 10 0 DDAEMN Nc1cnc2ccc(Br)cc2c1NC[C@H](O)CO ZINC000090282677 185289265 /nfs/dbraw/zinc/28/92/65/185289265.db2.gz ICSNBPUKIHVFPB-QMMMGPOBSA-N 0 1 312.167 1.345 10 0 DDAEMN C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389699 185293904 /nfs/dbraw/zinc/29/39/04/185293904.db2.gz BAHUWSMQFAHABE-ONGXEEELSA-N 0 1 313.737 1.600 10 0 DDAEMN C[N@@H+](Cc1ccccc1OC(F)F)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388985 185293989 /nfs/dbraw/zinc/29/39/89/185293989.db2.gz CTWJHSJVVCZYLI-WDEREUQCSA-N 0 1 301.289 1.819 10 0 DDAEMN Cc1nn(C)c(C)c1CNC(=O)c1cnc(NN)c(Cl)c1 ZINC000092342930 185313271 /nfs/dbraw/zinc/31/32/71/185313271.db2.gz BUWPNKHPZNNNLD-UHFFFAOYSA-N 0 1 308.773 1.301 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1 ZINC000092445308 185319093 /nfs/dbraw/zinc/31/90/93/185319093.db2.gz JKQCWSNAWZKCJF-SECBINFHSA-N 0 1 311.304 1.129 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)cccc1N ZINC000092622708 185329647 /nfs/dbraw/zinc/32/96/47/185329647.db2.gz FULBDSRSVKMRRO-CYBMUJFWSA-N 0 1 311.451 1.682 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccnc1Cl ZINC000092627890 185330289 /nfs/dbraw/zinc/33/02/89/185330289.db2.gz BTVOTXSEKJFVOO-NSHDSACASA-N 0 1 317.842 1.840 10 0 DDAEMN CC(C)[C@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1cccs1 ZINC000092780273 185340303 /nfs/dbraw/zinc/34/03/03/185340303.db2.gz LUPVKAMZYUOXML-RISCZKNCSA-N 0 1 304.419 1.999 10 0 DDAEMN Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2Cc3nc[nH]c3CN2)s1 ZINC000092781190 185340334 /nfs/dbraw/zinc/34/03/34/185340334.db2.gz HANARNZLMHCFKJ-KWQFWETISA-N 0 1 305.407 1.375 10 0 DDAEMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000092940883 185350138 /nfs/dbraw/zinc/35/01/38/185350138.db2.gz QQLBMSZDXUCKFT-ONGXEEELSA-N 0 1 311.407 1.069 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000183956537 282307427 /nfs/dbraw/zinc/30/74/27/282307427.db2.gz WQGAMRQGXIKMNY-SUMWQHHRSA-N 0 1 303.406 1.915 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000286808385 219176952 /nfs/dbraw/zinc/17/69/52/219176952.db2.gz ICHQXRKMXDOMCZ-MRVPVSSYSA-N 0 1 307.778 1.199 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186030853 186233541 /nfs/dbraw/zinc/23/35/41/186233541.db2.gz AQOYEFMSYQJTSW-FUHWJXTLSA-N 0 1 318.417 1.177 10 0 DDAEMN COc1ccc(CNC(=O)CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172801000 198151028 /nfs/dbraw/zinc/15/10/28/198151028.db2.gz FQHQMZLCSGNHGY-MRXNPFEDSA-N 0 1 317.433 1.482 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000072910756 191250621 /nfs/dbraw/zinc/25/06/21/191250621.db2.gz RYIPJANXCROYTK-GXFFZTMASA-N 0 1 324.402 1.315 10 0 DDAEMN Cc1nnc(SCC(=O)N2CCCC[C@H]2c2cn[nH]c2)[nH]1 ZINC000174853613 198392850 /nfs/dbraw/zinc/39/28/50/198392850.db2.gz PMCMENYFXWKSBC-NSHDSACASA-N 0 1 306.395 1.682 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000174853613 198392851 /nfs/dbraw/zinc/39/28/51/198392851.db2.gz PMCMENYFXWKSBC-NSHDSACASA-N 0 1 306.395 1.682 10 0 DDAEMN CCn1cnnc1[C@@H]1CN(Cc2cnccc2N(C)C)CCO1 ZINC000328623341 354549697 /nfs/dbraw/zinc/54/96/97/354549697.db2.gz BWYMYHIUZSSEJF-HNNXBMFYSA-N 0 1 316.409 1.333 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000403979125 354671138 /nfs/dbraw/zinc/67/11/38/354671138.db2.gz DMALRBKUUSNYJN-IRXDYDNUSA-N 0 1 317.433 1.098 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000080868246 192196452 /nfs/dbraw/zinc/19/64/52/192196452.db2.gz KTIMCHKNIQCFAI-RKDXNWHRSA-N 0 1 305.425 1.344 10 0 DDAEMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081680830 192313473 /nfs/dbraw/zinc/31/34/73/192313473.db2.gz IYTCYDQBICSKDI-SECBINFHSA-N 0 1 318.830 1.080 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)NCC1CCCCCCC1 ZINC000237319768 202230053 /nfs/dbraw/zinc/23/00/53/202230053.db2.gz RGZKPUVOMNQUME-CYBMUJFWSA-N 0 1 304.456 1.225 10 0 DDAEMN O=C(NCCN1CCCOCC1)N[C@@H]1COc2ccccc21 ZINC000187077812 200057931 /nfs/dbraw/zinc/05/79/31/200057931.db2.gz VHRVSGHWQMDINH-CQSZACIVSA-N 0 1 305.378 1.142 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)cn1 ZINC000195464517 201392030 /nfs/dbraw/zinc/39/20/30/201392030.db2.gz ANKDXALSMRPKEX-GFCCVEGCSA-N 0 1 315.439 1.345 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091989372 193138363 /nfs/dbraw/zinc/13/83/63/193138363.db2.gz FKBZRRQURAOMNX-STQMWFEESA-N 0 1 312.483 1.521 10 0 DDAEMN CNC(=O)[C@@H]1CCCN1Cc1ccccc1N1CCOCC1 ZINC000092099657 193158888 /nfs/dbraw/zinc/15/88/88/193158888.db2.gz VZQOOXYGAKHHBQ-INIZCTEOSA-N 0 1 303.406 1.234 10 0 DDAEMN Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C2CC2)C(=O)[O-])[nH]1 ZINC000093630041 193276854 /nfs/dbraw/zinc/27/68/54/193276854.db2.gz ARKJEEZESQUDEU-QMTHXVAHSA-N 0 1 310.423 1.971 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093779646 193306261 /nfs/dbraw/zinc/30/62/61/193306261.db2.gz AVFJSLDMCQBCGH-RNCFNFMXSA-N 0 1 314.411 1.058 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852128 193319249 /nfs/dbraw/zinc/31/92/49/193319249.db2.gz ZVFQXAZZQQIFQD-AMIZOPFISA-N 0 1 307.379 1.258 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000094177719 193347230 /nfs/dbraw/zinc/34/72/30/193347230.db2.gz NFVVRHZSBSFGIA-JHJVBQTASA-N 0 1 313.467 1.010 10 0 DDAEMN C[C@@H](NCc1ccc(O)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000094209340 193349452 /nfs/dbraw/zinc/34/94/52/193349452.db2.gz KXGXEMLIFCYMEW-SNVBAGLBSA-N 0 1 307.375 1.285 10 0 DDAEMN CC[N@H+]1CC[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094225034 193351815 /nfs/dbraw/zinc/35/18/15/193351815.db2.gz FJRCQQSQTRKZFV-KCJUWKMLSA-N 0 1 311.304 1.033 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)NCCN(C)C1CC1 ZINC000094360557 193366037 /nfs/dbraw/zinc/36/60/37/193366037.db2.gz SZMXBSXXYHJZNU-UHFFFAOYSA-N 0 1 301.387 1.089 10 0 DDAEMN C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(O)ccc1Br ZINC000282462089 217013520 /nfs/dbraw/zinc/01/35/20/217013520.db2.gz UAOGRTSCJNORAS-UFBFGSQYSA-N 0 1 313.195 1.911 10 0 DDAEMN FC(F)c1nnc2ccc(N3CCC[C@H](c4nc[nH]n4)C3)nn21 ZINC000333512650 249006850 /nfs/dbraw/zinc/00/68/50/249006850.db2.gz FLHVYYGJBXPBOP-QMMMGPOBSA-N 0 1 320.307 1.564 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000040503077 183084464 /nfs/dbraw/zinc/08/44/64/183084464.db2.gz WBKDJORNIIETLC-LBPRGKRZSA-N 0 1 312.391 1.147 10 0 DDAEMN Nc1cc(N)nc(SCc2cc3c(cc2N)OCCO3)n1 ZINC000041023504 183156467 /nfs/dbraw/zinc/15/64/67/183156467.db2.gz VHNYJVPGPNSKLU-UHFFFAOYSA-N 0 1 305.363 1.287 10 0 DDAEMN CCN(c1ccccc1C)S(=O)(=O)c1cnc(NN)nc1 ZINC000041071018 183162355 /nfs/dbraw/zinc/16/23/55/183162355.db2.gz KCRVFQNCKMYAOR-UHFFFAOYSA-N 0 1 307.379 1.286 10 0 DDAEMN Nc1csc(S(=O)(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000041068400 183162663 /nfs/dbraw/zinc/16/26/63/183162663.db2.gz LBFHQTXLOPOQCT-LBPRGKRZSA-N 0 1 315.464 1.579 10 0 DDAEMN Cc1cc(C)n(CCCNC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000105076664 194070863 /nfs/dbraw/zinc/07/08/63/194070863.db2.gz PXURMPTYGYSHOH-INIZCTEOSA-N 0 1 319.453 1.770 10 0 DDAEMN CC[C@H]1CN(Cc2nc(-c3ccco3)no2)CCN1CCOC ZINC000105836842 194142922 /nfs/dbraw/zinc/14/29/22/194142922.db2.gz FJJVGEACJNBCIA-ZDUSSCGKSA-N 0 1 320.393 1.872 10 0 DDAEMN CCn1cnnc1C1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000105929018 194172179 /nfs/dbraw/zinc/17/21/79/194172179.db2.gz KAWRQHSPQCRKEI-UHFFFAOYSA-N 0 1 313.405 1.777 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000109465526 194266173 /nfs/dbraw/zinc/26/61/73/194266173.db2.gz PCHWAJUEANDEFU-UHFFFAOYSA-N 0 1 309.410 1.648 10 0 DDAEMN CCN1CCN(Cc2nc3c(cnn3C)c(Cl)n2)C[C@@H]1C ZINC000110717551 194354161 /nfs/dbraw/zinc/35/41/61/194354161.db2.gz LFWIXJXBZZKSGA-JTQLQIEISA-N 0 1 308.817 1.543 10 0 DDAEMN CN1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1(C)C ZINC000110704345 194351272 /nfs/dbraw/zinc/35/12/72/194351272.db2.gz LGHUQRXDXRHITL-UHFFFAOYSA-N 0 1 310.829 1.887 10 0 DDAEMN Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000111043317 194386208 /nfs/dbraw/zinc/38/62/08/194386208.db2.gz WFHNWMRHQPQAIE-UHFFFAOYSA-N 0 1 308.315 1.595 10 0 DDAEMN CC(C)N1CCN(C(=O)[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000061616188 184178586 /nfs/dbraw/zinc/17/85/86/184178586.db2.gz VJMPQNKQNJTNJA-CQSZACIVSA-N 0 1 305.447 1.609 10 0 DDAEMN CCNC(=O)CN(C)c1cccc(Cl)c1CNCCOC ZINC000062737474 184252100 /nfs/dbraw/zinc/25/21/00/184252100.db2.gz IMNSFYFKTFNCSW-UHFFFAOYSA-N 0 1 313.829 1.648 10 0 DDAEMN CS(=O)(=O)Nc1cccc(-c2c[nH+]c(N)cc2C(=O)[O-])c1 ZINC000065349058 184326599 /nfs/dbraw/zinc/32/65/99/184326599.db2.gz JJWLNDBFEVKJOK-UHFFFAOYSA-N 0 1 307.331 1.401 10 0 DDAEMN COc1ccnc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)c1 ZINC000159055959 197323004 /nfs/dbraw/zinc/32/30/04/197323004.db2.gz IFRGJRLUIUFQAP-CQSZACIVSA-N 0 1 307.394 1.146 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1CC ZINC000155238633 197035407 /nfs/dbraw/zinc/03/54/07/197035407.db2.gz SMWBBFDTZKVGME-OAHLLOKOSA-N 0 1 308.426 1.220 10 0 DDAEMN Cc1ccc(CN2C[C@@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@@H]3C2)o1 ZINC000096185738 257133221 /nfs/dbraw/zinc/13/32/21/257133221.db2.gz CAGFHMDAUSQFND-USXIJHARSA-N 0 1 317.433 1.619 10 0 DDAEMN O=C1CCCN1CC[C@H]1CCOC12CN(C1CCOCC1)C2 ZINC000253616726 257104755 /nfs/dbraw/zinc/10/47/55/257104755.db2.gz BBMQDYMMXVEHRU-AWEZNQCLSA-N 0 1 308.422 1.269 10 0 DDAEMN C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCO1 ZINC000068414044 406641074 /nfs/dbraw/zinc/64/10/74/406641074.db2.gz XWESJRMQUXNUBW-DZGCQCFKSA-N 0 1 318.421 1.131 10 0 DDAEMN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)N(C)C ZINC000036817582 406984486 /nfs/dbraw/zinc/98/44/86/406984486.db2.gz FXIQEJVNXHGSJZ-UHFFFAOYSA-N 0 1 306.409 1.760 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cn3)CCO2)n[nH]1 ZINC000123287028 407325097 /nfs/dbraw/zinc/32/50/97/407325097.db2.gz OXGNCUSQWXVVHZ-JTQLQIEISA-N 0 1 320.328 1.507 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NCC(C)C)C2)n1 ZINC000105884732 407356654 /nfs/dbraw/zinc/35/66/54/407356654.db2.gz ZKQNQDZHYPJAGV-HNNXBMFYSA-N 0 1 307.442 1.379 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105822669 407355984 /nfs/dbraw/zinc/35/59/84/407355984.db2.gz HWSUKWYOTOVNFC-BZUAXINKSA-N 0 1 311.470 1.164 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105822669 407355985 /nfs/dbraw/zinc/35/59/85/407355985.db2.gz HWSUKWYOTOVNFC-BZUAXINKSA-N 0 1 311.470 1.164 10 0 DDAEMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(Cn2cccn2)CC1 ZINC000105920168 407357193 /nfs/dbraw/zinc/35/71/93/407357193.db2.gz XHSLYCPMECVZGJ-GDBMZVCRSA-N 0 1 320.437 1.279 10 0 DDAEMN Cc1noc(C)c1CCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000107395467 407375030 /nfs/dbraw/zinc/37/50/30/407375030.db2.gz BIBRBNZOPBEVSF-AWEZNQCLSA-N 0 1 306.410 1.714 10 0 DDAEMN CC[C@H]1CN(C(=O)/C=C/c2ccc(O)cc2)CCN1CCOC ZINC000125457927 407389249 /nfs/dbraw/zinc/38/92/49/407389249.db2.gz MTJBDSUTWPEJOF-FSNWXROXSA-N 0 1 318.417 1.975 10 0 DDAEMN CCn1nccc1CNCc1n[nH]c(COc2ccccc2)n1 ZINC000185755874 407494821 /nfs/dbraw/zinc/49/48/21/407494821.db2.gz XUYBLQDMXLIYDG-UHFFFAOYSA-N 0 1 312.377 1.890 10 0 DDAEMN CC(C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000195337895 407451983 /nfs/dbraw/zinc/45/19/83/407451983.db2.gz KBHXKSICQHTYST-VQHPVUNQSA-N 0 1 323.481 1.427 10 0 DDAEMN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000171064144 407585411 /nfs/dbraw/zinc/58/54/11/407585411.db2.gz RKYSZQHNBYIHKC-LLVKDONJSA-N 0 1 317.341 1.884 10 0 DDAEMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000171064144 407585419 /nfs/dbraw/zinc/58/54/19/407585419.db2.gz RKYSZQHNBYIHKC-LLVKDONJSA-N 0 1 317.341 1.884 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000186158440 407590409 /nfs/dbraw/zinc/59/04/09/407590409.db2.gz KHWKIAVQIHKPQO-CHWSQXEVSA-N 0 1 318.339 1.541 10 0 DDAEMN C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000170859472 407536169 /nfs/dbraw/zinc/53/61/69/407536169.db2.gz OGQNGBNBURWWEB-SNVBAGLBSA-N 0 1 313.195 1.931 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000170873757 407540762 /nfs/dbraw/zinc/54/07/62/407540762.db2.gz KKAPDAOUFGXVGM-MRVPVSSYSA-N 0 1 308.325 1.429 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccccn3)CCO2)n[nH]1 ZINC000130024827 407645809 /nfs/dbraw/zinc/64/58/09/407645809.db2.gz IRSPYBHGFSUAIX-JTQLQIEISA-N 0 1 302.338 1.368 10 0 DDAEMN C[C@@H](O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000261963216 407692810 /nfs/dbraw/zinc/69/28/10/407692810.db2.gz YBJJJNPUQZNRCX-WBMJQRKESA-N 0 1 315.417 1.657 10 0 DDAEMN CC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000171663516 407731878 /nfs/dbraw/zinc/73/18/78/407731878.db2.gz JYUVOPUSGGOCEL-QGZVFWFLSA-N 0 1 317.433 1.240 10 0 DDAEMN CCc1c(C(=O)N2CCO[C@H](CN(C)C)C2)[nH]c(C)c1C(C)=O ZINC000116783725 407772817 /nfs/dbraw/zinc/77/28/17/407772817.db2.gz MIVYEWSIRXPSDX-CYBMUJFWSA-N 0 1 321.421 1.491 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2ccccn2)C[C@H]1CC ZINC000116767778 407774467 /nfs/dbraw/zinc/77/44/67/407774467.db2.gz KKHFEQBKOGAQRQ-QGZVFWFLSA-N 0 1 319.449 1.974 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000262311905 407794607 /nfs/dbraw/zinc/79/46/07/407794607.db2.gz PDIMMUHZRTVNTH-CYBMUJFWSA-N 0 1 302.334 1.490 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000262512088 407852882 /nfs/dbraw/zinc/85/28/82/407852882.db2.gz JSBPONGKAZPKHJ-SOUVJXGZSA-N 0 1 308.378 1.281 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCc3ccccn3)CCO2)n[nH]1 ZINC000173526014 407884432 /nfs/dbraw/zinc/88/44/32/407884432.db2.gz XJDFRQHAGZANSY-CYBMUJFWSA-N 0 1 301.350 1.041 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(C)c2)CCN1C[C@@H](C)O ZINC000174637905 407973379 /nfs/dbraw/zinc/97/33/79/407973379.db2.gz SHFCVRLNGGDCHY-WBVHZDCISA-N 0 1 304.434 1.841 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccnc(C)c2)C1 ZINC000263140249 408037543 /nfs/dbraw/zinc/03/75/43/408037543.db2.gz ZKWLDAFJVPWPDD-UHFFFAOYSA-N 0 1 306.366 1.449 10 0 DDAEMN CCc1cccc(CC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000156425176 408255093 /nfs/dbraw/zinc/25/50/93/408255093.db2.gz JGBHLZCGOFUKKS-LSDHHAIUSA-N 0 1 304.434 1.705 10 0 DDAEMN CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2)CCN1C[C@H](C)O ZINC000246679547 408315667 /nfs/dbraw/zinc/31/56/67/408315667.db2.gz IZCBTYGRAWXFOW-UAGQMJEPSA-N 0 1 320.433 1.678 10 0 DDAEMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000246723112 408326147 /nfs/dbraw/zinc/32/61/47/408326147.db2.gz GOQMGFWTGBHIQS-BBRMVZONSA-N 0 1 318.465 1.912 10 0 DDAEMN CC[C@@H]1CN(C(=O)COCc2ccccc2)CCN1C[C@H](C)O ZINC000246739646 408330176 /nfs/dbraw/zinc/33/01/76/408330176.db2.gz GBCRRKZTOCOBLN-DOTOQJQBSA-N 0 1 320.433 1.507 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccccc2)CCN1C[C@H](C)O ZINC000246839659 408350281 /nfs/dbraw/zinc/35/02/81/408350281.db2.gz MIGFACZWTHEPGO-DOTOQJQBSA-N 0 1 304.434 1.923 10 0 DDAEMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000246830110 408351646 /nfs/dbraw/zinc/35/16/46/408351646.db2.gz CJMIPMJLMZBAOS-RBSFLKMASA-N 0 1 304.438 1.999 10 0 DDAEMN CC(C)(C)C(=O)NCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171674307 162235044 /nfs/dbraw/zinc/23/50/44/162235044.db2.gz USHBKYQOBYNAAI-CYBMUJFWSA-N 0 1 310.442 1.028 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000246931458 408370131 /nfs/dbraw/zinc/37/01/31/408370131.db2.gz IYXFDUKGMOXQPW-GVDBMIGSSA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CSc3ccccc3)CCO2)n[nH]1 ZINC000173527980 162346023 /nfs/dbraw/zinc/34/60/23/162346023.db2.gz WZJQPMKLMWYDJR-ZDUSSCGKSA-N 0 1 318.402 1.805 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cscc3C)CCO2)n[nH]1 ZINC000176947885 408481276 /nfs/dbraw/zinc/48/12/76/408481276.db2.gz BYEYPNMKAVQGJK-NSHDSACASA-N 0 1 306.391 1.951 10 0 DDAEMN CCN(CC1CC1)S(=O)(=O)N1CCC(c2ccn[nH]2)CC1 ZINC000183908703 408506374 /nfs/dbraw/zinc/50/63/74/408506374.db2.gz ZKMDHOLDHWCQER-UHFFFAOYSA-N 0 1 312.439 1.566 10 0 DDAEMN COCCN1CCN(Cc2ccc(-n3ccnc3)nc2)C[C@H]1C ZINC000177130820 408526660 /nfs/dbraw/zinc/52/66/60/408526660.db2.gz ZZJKBZSPMXZZBD-OAHLLOKOSA-N 0 1 315.421 1.420 10 0 DDAEMN C[C@H](CCNC(=O)CCc1nc[nH]n1)NC(=O)OC(C)(C)C ZINC000177187095 408547837 /nfs/dbraw/zinc/54/78/37/408547837.db2.gz UUIUHTPUSJIFCG-SNVBAGLBSA-N 0 1 311.386 1.157 10 0 DDAEMN C[C@H]1CN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC000177280139 408569621 /nfs/dbraw/zinc/56/96/21/408569621.db2.gz IBCKCRVWMABQTJ-VVLHAWIVSA-N 0 1 323.481 1.143 10 0 DDAEMN CCOC(=O)N1CC[C@H](NC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000248555136 408583438 /nfs/dbraw/zinc/58/34/38/408583438.db2.gz AXIQYHBXCHEZBZ-KBPBESRZSA-N 0 1 324.425 1.097 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cnc(C(C)C)s3)CCO2)n[nH]1 ZINC000162117087 408672239 /nfs/dbraw/zinc/67/22/39/408672239.db2.gz QCLZCKDOMQAMIF-JTQLQIEISA-N 0 1 321.406 1.907 10 0 DDAEMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCO1 ZINC000248860439 408649248 /nfs/dbraw/zinc/64/92/48/408649248.db2.gz DCRRLJKXJAZHTI-TUVASFSCSA-N 0 1 313.442 1.352 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCCCC(C)C)CCO2)n[nH]1 ZINC000177931365 408740823 /nfs/dbraw/zinc/74/08/23/408740823.db2.gz XTPWWYVLHFTPSM-GFCCVEGCSA-N 0 1 309.414 1.886 10 0 DDAEMN CC[C@H]1CN([C@@H]2CCCN(C(C)C)C2=O)CCN1CCOC ZINC000177710154 408690571 /nfs/dbraw/zinc/69/05/71/408690571.db2.gz COSZJNXRIPZBBP-JKSUJKDBSA-N 0 1 311.470 1.428 10 0 DDAEMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC000165004933 408806008 /nfs/dbraw/zinc/80/60/08/408806008.db2.gz AALMYQWVPCEJJG-QWHCGFSZSA-N 0 1 319.405 1.625 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000192045060 163214589 /nfs/dbraw/zinc/21/45/89/163214589.db2.gz MINYVSSBVPBIIF-ZIAGYGMSSA-N 0 1 300.443 1.495 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000338081245 409703203 /nfs/dbraw/zinc/70/32/03/409703203.db2.gz ZCLHBKMTCXABAJ-IRXDYDNUSA-N 0 1 319.380 1.652 10 0 DDAEMN C[C@@H]1C[N@H+](Cc2c(Br)cnn2C)C[C@H]1C(=O)[O-] ZINC000328430099 409929033 /nfs/dbraw/zinc/92/90/33/409929033.db2.gz MBKOCHCTXRMLMF-HTQZYQBOSA-N 0 1 302.172 1.335 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2c(Br)cnn2C)C[C@H]1C(=O)[O-] ZINC000328430099 409929034 /nfs/dbraw/zinc/92/90/34/409929034.db2.gz MBKOCHCTXRMLMF-HTQZYQBOSA-N 0 1 302.172 1.335 10 0 DDAEMN COC(=O)c1sc(N2C[C@H]3OCCN(C)[C@@H]3C2)nc1Cl ZINC000301678163 410769003 /nfs/dbraw/zinc/76/90/03/410769003.db2.gz UARLMVHNJMZRPZ-HTQZYQBOSA-N 0 1 317.798 1.102 10 0 DDAEMN O=C1CCC(=O)N1C1CCC(Nc2ncnc3[nH]cnc32)CC1 ZINC000301850987 410814137 /nfs/dbraw/zinc/81/41/37/410814137.db2.gz PGMCWODTCUHTDN-UHFFFAOYSA-N 0 1 314.349 1.225 10 0 DDAEMN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](CO)c1ccccc1 ZINC000182916910 275896056 /nfs/dbraw/zinc/89/60/56/275896056.db2.gz BQFIDILNBAGNEZ-GXTWGEPZSA-N 0 1 307.394 1.180 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000163031106 276643846 /nfs/dbraw/zinc/64/38/46/276643846.db2.gz GYWKDIPVILDXME-DOTOQJQBSA-N 0 1 320.433 1.598 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000247134335 278294507 /nfs/dbraw/zinc/29/45/07/278294507.db2.gz KNZYLAFHURKLAL-WCVJEAGWSA-N 0 1 311.470 1.163 10 0 DDAEMN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)N2CCNCC2)C1 ZINC000253574744 278442717 /nfs/dbraw/zinc/44/27/17/278442717.db2.gz TUHVZXUVDMLADP-LBPRGKRZSA-N 0 1 312.414 1.001 10 0 DDAEMN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000333560605 278520037 /nfs/dbraw/zinc/52/00/37/278520037.db2.gz LIDNCSRDJZJQDJ-DGCLKSJQSA-N 0 1 310.442 1.073 10 0 DDAEMN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000127191789 281267609 /nfs/dbraw/zinc/26/76/09/281267609.db2.gz YGEOIRIXLIIINN-LLVKDONJSA-N 0 1 302.827 1.973 10 0 DDAEMN C[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)O1 ZINC000123791166 696735025 /nfs/dbraw/zinc/73/50/25/696735025.db2.gz CXBCPQLATYPPAW-CZUORRHYSA-N 0 1 303.406 1.944 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(Cc3cccc(Br)c3)no2)C1 ZINC000132270739 696813591 /nfs/dbraw/zinc/81/35/91/696813591.db2.gz GAZURBMHNOKKJV-GHMZBOCLSA-N 0 1 324.178 1.818 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)c3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173658214 697380608 /nfs/dbraw/zinc/38/06/08/697380608.db2.gz GHFYFLTYURUTER-HOTGVXAUSA-N 0 1 316.405 1.837 10 0 DDAEMN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(C[C@H]1CCOC1)C1CC1 ZINC000249701436 698396526 /nfs/dbraw/zinc/39/65/26/698396526.db2.gz IDUBBCXPTJALHY-BPLDGKMQSA-N 0 1 304.390 1.396 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@@H]2CCSC2)C1 ZINC000263480969 698509471 /nfs/dbraw/zinc/50/94/71/698509471.db2.gz NXTWUCDOMWQPTL-MOENNCHZSA-N 0 1 315.439 1.071 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(Cc3cocn3)C2)ccn1 ZINC000886068764 708692062 /nfs/dbraw/zinc/69/20/62/708692062.db2.gz PWVNGAQAGYVINU-INIZCTEOSA-N 0 1 302.378 1.785 10 0 DDAEMN Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2ccn(C)c2C)n[nH]1 ZINC000888093831 709211185 /nfs/dbraw/zinc/21/11/85/709211185.db2.gz WLAQXCKPEBHMPO-AAEUAGOBSA-N 0 1 303.366 1.268 10 0 DDAEMN Cc1ccc(CO[C@H](C)C(=O)N2CCC[C@H]2c2nn[nH]n2)cc1 ZINC000900390058 709569589 /nfs/dbraw/zinc/56/95/89/709569589.db2.gz ZVUOLOWWGNLPFQ-OCCSQVGLSA-N 0 1 315.377 1.777 10 0 DDAEMN CCc1nc[nH]c1C(=O)N1CCCC[C@@H]1c1n[nH]c(COC)n1 ZINC000908252079 712720777 /nfs/dbraw/zinc/72/07/77/712720777.db2.gz XZXCFENJNHJVIP-LLVKDONJSA-N 0 1 318.381 1.604 10 0 DDAEMN COCc1cc([C@H](C)N[C@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901886 192336806 /nfs/dbraw/zinc/33/68/06/192336806.db2.gz UTBASCZFGRKORN-NEPJUHHUSA-N 0 1 315.435 1.925 10 0 DDAEMN CCCN[C@@H](CS(=O)(=O)CCOC)c1ccccc1OC ZINC000081944144 192343805 /nfs/dbraw/zinc/34/38/05/192343805.db2.gz GGYGGDLRPREMPA-AWEZNQCLSA-N 0 1 315.435 1.797 10 0 DDAEMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2CC)c1S(N)(=O)=O ZINC000087894506 185235175 /nfs/dbraw/zinc/23/51/75/185235175.db2.gz ZZRFDMSUALVENF-SECBINFHSA-N 0 1 314.411 1.024 10 0 DDAEMN CCCc1[nH]nc(C(=O)N2CCC[C@H]2CC)c1S(N)(=O)=O ZINC000087898262 185235856 /nfs/dbraw/zinc/23/58/56/185235856.db2.gz RAJWMGHFFLPELC-SECBINFHSA-N 0 1 314.411 1.024 10 0 DDAEMN CCc1nn(C)cc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000180111661 539235360 /nfs/dbraw/zinc/23/53/60/539235360.db2.gz DSPSVVRVPDZGPG-UHFFFAOYSA-N 0 1 316.453 1.424 10 0 DDAEMN CC(C)(C)[C@H](CCNC(=O)[C@@H]1COCC[NH2+]1)CCC(=O)[O-] ZINC000088372598 185247341 /nfs/dbraw/zinc/24/73/41/185247341.db2.gz YDZAOZRXJMOQFK-RYUDHWBXSA-N 0 1 300.399 1.008 10 0 DDAEMN COC(=O)[C@@H](CCN1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435415 185250613 /nfs/dbraw/zinc/25/06/13/185250613.db2.gz HPTVKFFIJBPBEM-GFCCVEGCSA-N 0 1 308.344 1.944 10 0 DDAEMN Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cnc[nH]1 ZINC000088750487 185264101 /nfs/dbraw/zinc/26/41/01/185264101.db2.gz JPYUJGDBPAOLAE-UHFFFAOYSA-N 0 1 321.189 1.777 10 0 DDAEMN C[C@](O)(CO)CNCc1cc2c(cc1Br)OCO2 ZINC000090284792 185289438 /nfs/dbraw/zinc/28/94/38/185289438.db2.gz AQIKENMNJMCSNF-GFCCVEGCSA-N 0 1 318.167 1.011 10 0 DDAEMN CCC[N@H+](Cc1c(C)nn(C)c1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090526902 185300793 /nfs/dbraw/zinc/30/07/93/185300793.db2.gz ACCCYFZFEOGXHM-RYUDHWBXSA-N 0 1 315.801 1.694 10 0 DDAEMN CCC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090526902 185300794 /nfs/dbraw/zinc/30/07/94/185300794.db2.gz ACCCYFZFEOGXHM-RYUDHWBXSA-N 0 1 315.801 1.694 10 0 DDAEMN Cc1cccc(Cl)c1NS(=O)(=O)c1cnc(NN)nc1 ZINC000090538197 185301539 /nfs/dbraw/zinc/30/15/39/185301539.db2.gz SOPQGOBZGGUDRA-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2cnc(NN)c(Cl)c2)ccn1 ZINC000092364848 185314006 /nfs/dbraw/zinc/31/40/06/185314006.db2.gz NEPLCUQDNFIDPY-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000092621891 185329870 /nfs/dbraw/zinc/32/98/70/185329870.db2.gz IONAQCXRDCJQLL-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC[C@H]1c1ccsc1 ZINC000092780544 185340270 /nfs/dbraw/zinc/34/02/70/185340270.db2.gz LVVMMUQIBMWAHY-OCCSQVGLSA-N 0 1 302.403 1.849 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2cccc(F)c2)C[C@H]1C ZINC000255587484 282267654 /nfs/dbraw/zinc/26/76/54/282267654.db2.gz GCBOBXQJSVLVSL-WJDZFGBRSA-N 0 1 306.381 1.752 10 0 DDAEMN CCc1noc([C@@H](C)N2CCN(Cc3n[nH]c(CC)n3)CC2)n1 ZINC000181690650 199339278 /nfs/dbraw/zinc/33/92/78/199339278.db2.gz XZZYABZEYPMUBX-LLVKDONJSA-N 0 1 319.413 1.191 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(N)cc(C)c2C)n[nH]1 ZINC000080511093 192163075 /nfs/dbraw/zinc/16/30/75/192163075.db2.gz WELFSZXINHVVKA-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN CCOC(=O)[C@@H](c1ccccc1)N1CCN(CCOC)[C@H](C)C1 ZINC000171929506 198010032 /nfs/dbraw/zinc/01/00/32/198010032.db2.gz HMYHRJXORINREB-NVXWUHKLSA-N 0 1 320.433 1.943 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCN1CCOC ZINC000172309690 198077123 /nfs/dbraw/zinc/07/71/23/198077123.db2.gz LGDLSUGXGVMVFE-AWEZNQCLSA-N 0 1 308.426 1.138 10 0 DDAEMN COC[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000172617548 198125657 /nfs/dbraw/zinc/12/56/57/198125657.db2.gz AONAGCZVSWYLNV-HZPDHXFCSA-N 0 1 306.406 1.033 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000174003355 198279428 /nfs/dbraw/zinc/27/94/28/198279428.db2.gz QPKXXPGKVNBRBQ-ZJUUUORDSA-N 0 1 320.846 1.081 10 0 DDAEMN CC(C)[N@@H+]1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000174003355 198279429 /nfs/dbraw/zinc/27/94/29/198279429.db2.gz QPKXXPGKVNBRBQ-ZJUUUORDSA-N 0 1 320.846 1.081 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cccc(Cl)n2)CCN1C[C@@H](C)O ZINC000174644900 198364597 /nfs/dbraw/zinc/36/45/97/198364597.db2.gz KSBVCKSGFUTLGG-NEPJUHHUSA-N 0 1 311.813 1.652 10 0 DDAEMN CCCCc1nc2c(I)n[nH]c2c(=O)[nH]1 ZINC000148684869 354170335 /nfs/dbraw/zinc/17/03/35/354170335.db2.gz CVPGOKDXMOBZQO-UHFFFAOYSA-N 0 1 318.118 1.593 10 0 DDAEMN COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](c2cccc(Cl)c2F)N1 ZINC000168356608 354250343 /nfs/dbraw/zinc/25/03/43/354250343.db2.gz HLOPSGPRMGMMRU-JQWIXIFHSA-N 0 1 309.728 1.979 10 0 DDAEMN C[C@H]1Oc2ccc(S(=O)(=O)Nc3ccccn3)cc2NC1=O ZINC000074936371 191391623 /nfs/dbraw/zinc/39/16/23/191391623.db2.gz WUEOQKUINWNXTR-SECBINFHSA-N 0 1 319.342 1.602 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000080868683 192196334 /nfs/dbraw/zinc/19/63/34/192196334.db2.gz BHOZZRKZWSVNFN-ZETCQYMHSA-N 0 1 316.383 1.758 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)CCCOC)n1 ZINC000080869006 192196635 /nfs/dbraw/zinc/19/66/35/192196635.db2.gz NRADFZDLQBXOGO-VIFPVBQESA-N 0 1 307.441 1.592 10 0 DDAEMN CCNCc1c(C)oc(C)c1S(=O)(=O)N(C)CCCOC ZINC000089027988 192709051 /nfs/dbraw/zinc/70/90/51/192709051.db2.gz VMWKJXCSSGBNER-UHFFFAOYSA-N 0 1 318.439 1.663 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)cn1 ZINC000191791871 200764274 /nfs/dbraw/zinc/76/42/74/200764274.db2.gz SCJUXAOTGYHNJL-HNNXBMFYSA-N 0 1 319.336 1.961 10 0 DDAEMN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193290810 201021117 /nfs/dbraw/zinc/02/11/17/201021117.db2.gz LWLPURUNBCSOSH-KCJUWKMLSA-N 0 1 306.790 1.885 10 0 DDAEMN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193396726 201043915 /nfs/dbraw/zinc/04/39/15/201043915.db2.gz VLYCZPNSQPSUIM-WRWORJQWSA-N 0 1 308.325 1.380 10 0 DDAEMN C[C@H](CCO)SC[C@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000091267098 193028090 /nfs/dbraw/zinc/02/80/90/193028090.db2.gz PQSSDKUBKYAVIB-MLGOLLRUSA-N 0 1 308.447 1.623 10 0 DDAEMN C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)N(C)CC1CC(O)C1 ZINC000091462886 193059795 /nfs/dbraw/zinc/05/97/95/193059795.db2.gz AHRHRBRGRHMWGU-GRZMOONWSA-N 0 1 311.813 1.952 10 0 DDAEMN CC[N@@H+]1CCO[C@H](CN(CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000092059585 193149436 /nfs/dbraw/zinc/14/94/36/193149436.db2.gz WAYNVERJXRWPOY-AWEZNQCLSA-N 0 1 312.797 1.952 10 0 DDAEMN CC[N@H+]1CCO[C@H](CN(CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000092059585 193149438 /nfs/dbraw/zinc/14/94/38/193149438.db2.gz WAYNVERJXRWPOY-AWEZNQCLSA-N 0 1 312.797 1.952 10 0 DDAEMN COC(=O)[C@@H]1CCC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000093171183 193210294 /nfs/dbraw/zinc/21/02/94/193210294.db2.gz XKCGFFJRFJLQJC-CQSZACIVSA-N 0 1 306.362 1.119 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@@H]1[NH3+] ZINC000094340015 193361796 /nfs/dbraw/zinc/36/17/96/193361796.db2.gz ORZVVRXWIDCPKW-KCJUWKMLSA-N 0 1 313.195 1.964 10 0 DDAEMN Cc1cc(NC(=O)[C@@]2(N)CCOC2)ncc1Br ZINC000094063508 193342485 /nfs/dbraw/zinc/34/24/85/193342485.db2.gz YFWDNANOYBCESH-LLVKDONJSA-N 0 1 300.156 1.209 10 0 DDAEMN CN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NN)C1 ZINC000094596577 193382156 /nfs/dbraw/zinc/38/21/56/193382156.db2.gz WLHNCDGAOGOADR-SECBINFHSA-N 0 1 302.300 1.425 10 0 DDAEMN NNc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000020430032 182216540 /nfs/dbraw/zinc/21/65/40/182216540.db2.gz IHHXTNDBFBMHDT-UHFFFAOYSA-N 0 1 316.745 1.961 10 0 DDAEMN CCOCCN1CCN(C(=O)CC2(O)CCCC2)C[C@H]1CC ZINC000174919622 248386931 /nfs/dbraw/zinc/38/69/31/248386931.db2.gz ZHDRISUYTZTXSK-OAHLLOKOSA-N 0 1 312.454 1.641 10 0 DDAEMN CCCS(=O)(=O)N1CCN(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000038554247 183002132 /nfs/dbraw/zinc/00/21/32/183002132.db2.gz CAWGGOSDBLNNLE-UHFFFAOYSA-N 0 1 322.434 1.733 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(c2cnc3c(n2)CCCC3)C1 ZINC000333520485 249009513 /nfs/dbraw/zinc/00/95/13/249009513.db2.gz KNTZEYQMYRPHAW-MFKMUULPSA-N 0 1 300.366 1.440 10 0 DDAEMN CC(C)(C)c1nc(CN2CCN(Cc3ccon3)CC2)n[nH]1 ZINC000333501838 249003559 /nfs/dbraw/zinc/00/35/59/249003559.db2.gz VWBHSNSZRSHJAI-UHFFFAOYSA-N 0 1 304.398 1.408 10 0 DDAEMN CC(C)c1ccccc1NS(=O)(=O)c1cnc(NN)nc1 ZINC000041071049 183162679 /nfs/dbraw/zinc/16/26/79/183162679.db2.gz JGCCCQDQRXUONR-UHFFFAOYSA-N 0 1 307.379 1.686 10 0 DDAEMN CSc1nc2ccc(NC(=O)[C@@H]3CNCCO3)cc2s1 ZINC000043708545 183382938 /nfs/dbraw/zinc/38/29/38/183382938.db2.gz WRROXAUYPANJSB-JTQLQIEISA-N 0 1 309.416 1.945 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000105264101 194089474 /nfs/dbraw/zinc/08/94/74/194089474.db2.gz CYQUQACJDOIVHJ-KBPBESRZSA-N 0 1 324.469 1.559 10 0 DDAEMN COc1ccc(N2C(=O)C3ON=C(c4ccccc4)[C@@H]3C2=O)cc1 ZINC000105592316 194113027 /nfs/dbraw/zinc/11/30/27/194113027.db2.gz XSBLVCFDZHXPJR-GOEBONIOSA-N 0 1 322.320 1.988 10 0 DDAEMN CC[C@H]1CN([C@H](C(N)=O)c2ccccc2)CCN1CCOC ZINC000105836602 194142298 /nfs/dbraw/zinc/14/22/98/194142298.db2.gz LQYWPNQBISZEPF-HOTGVXAUSA-N 0 1 305.422 1.256 10 0 DDAEMN CCOCCN1CCN([C@@H](C)C(=O)N(CC)CC)C[C@@H]1CC ZINC000105838161 194144478 /nfs/dbraw/zinc/14/44/78/194144478.db2.gz YYBKLYVMKDTXJV-HOTGVXAUSA-N 0 1 313.486 1.676 10 0 DDAEMN CCCCCCNC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105883420 194158153 /nfs/dbraw/zinc/15/81/53/194158153.db2.gz FGSBNTUQZCXHMC-OAHLLOKOSA-N 0 1 307.442 1.687 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)cc1C ZINC000105932822 194173558 /nfs/dbraw/zinc/17/35/58/194173558.db2.gz WRFYWCPHGOWEPJ-HOCLYGCPSA-N 0 1 305.422 1.551 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CCN1CCOC ZINC000106116273 194187930 /nfs/dbraw/zinc/18/79/30/194187930.db2.gz RSBSYQFBIKOZDS-CQSZACIVSA-N 0 1 324.421 1.917 10 0 DDAEMN CN[C@H]1C(=O)Nc2cc(-n3cc(Br)cn3)ccc21 ZINC000109572949 194275058 /nfs/dbraw/zinc/27/50/58/194275058.db2.gz ZJBXEQGRTHYWSV-LLVKDONJSA-N 0 1 307.151 1.847 10 0 DDAEMN Cc1ccc(NC(=O)N2CCN([C@H](C)C(N)=S)CC2)cc1 ZINC000109466511 194267250 /nfs/dbraw/zinc/26/72/50/194267250.db2.gz UAJGGRMVLPFXLY-GFCCVEGCSA-N 0 1 306.435 1.819 10 0 DDAEMN O=C([O-])c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000110345541 194324203 /nfs/dbraw/zinc/32/42/03/194324203.db2.gz CAYFIQYATNXKPS-LLVKDONJSA-N 0 1 311.769 1.344 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(N)c2)CCN1C ZINC000110703269 194351978 /nfs/dbraw/zinc/35/19/78/194351978.db2.gz UEEXFDYQFHZIGX-GFCCVEGCSA-N 0 1 310.829 1.887 10 0 DDAEMN COc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(N)c1 ZINC000061682405 184182639 /nfs/dbraw/zinc/18/26/39/184182639.db2.gz USMRQFMEPGZCQV-UHFFFAOYSA-N 0 1 310.379 1.856 10 0 DDAEMN CN1CC[C@@H](Nc2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000061985880 184199623 /nfs/dbraw/zinc/19/96/23/184199623.db2.gz AVEBYWKDTCHHKU-SNVBAGLBSA-N 0 1 303.815 1.828 10 0 DDAEMN CCNS(=O)(=O)NC[C@H](c1ccco1)N1CCCCCC1 ZINC000062356685 184232298 /nfs/dbraw/zinc/23/22/98/184232298.db2.gz YBKXLLQOVXTBDR-CYBMUJFWSA-N 0 1 315.439 1.641 10 0 DDAEMN Cc1cccc(N)c1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062975749 184264181 /nfs/dbraw/zinc/26/41/81/184264181.db2.gz CLKXGFVWPHXTAU-ZDUSSCGKSA-N 0 1 309.435 1.436 10 0 DDAEMN CCN(CC)CC(=O)Nc1ccc(C(=O)NCCOC)cc1 ZINC000066212131 184396995 /nfs/dbraw/zinc/39/69/95/184396995.db2.gz AMJZQKHAYQUPLT-UHFFFAOYSA-N 0 1 307.394 1.343 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)o1 ZINC000120758696 195231143 /nfs/dbraw/zinc/23/11/43/195231143.db2.gz WMCMQQPZFMMXAO-ZIAGYGMSSA-N 0 1 324.421 1.733 10 0 DDAEMN COCCN1CCN(Cc2cccc(OC)c2OC)C[C@H]1C ZINC000120819991 195244034 /nfs/dbraw/zinc/24/40/34/195244034.db2.gz LHLKOFMCDLKSSW-CQSZACIVSA-N 0 1 308.422 1.856 10 0 DDAEMN Cc1noc(C[C@@H]2C[C@@H]3CN(Cc4scnc4C)C[C@@H]3O2)n1 ZINC000247957741 257112631 /nfs/dbraw/zinc/11/26/31/257112631.db2.gz MSRRDEWXAMALPD-AGIUHOORSA-N 0 1 320.418 1.975 10 0 DDAEMN COc1ncccc1CN1CC[C@@H]2[C@@H]1CCN2c1ncccn1 ZINC000247829261 257117537 /nfs/dbraw/zinc/11/75/37/257117537.db2.gz GYYADBMBWZANAW-LSDHHAIUSA-N 0 1 311.389 1.733 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccoc2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247803929 257118377 /nfs/dbraw/zinc/11/83/77/257118377.db2.gz XOIMZOCETUYWEP-KFWWJZLASA-N 0 1 306.362 1.280 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccccn2)C1)N1CCCO1 ZINC000247804412 257118465 /nfs/dbraw/zinc/11/84/65/257118465.db2.gz XYYAAYOWGJOQRK-KBMXLJTQSA-N 0 1 317.389 1.225 10 0 DDAEMN COc1ccccc1CN(CCO)C[C@@H](O)COC(C)(C)C ZINC000103228548 407333755 /nfs/dbraw/zinc/33/37/55/407333755.db2.gz XTABZFYLFDMKOQ-OAHLLOKOSA-N 0 1 311.422 1.666 10 0 DDAEMN CN(C)C(=O)CCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106910874 407366515 /nfs/dbraw/zinc/36/65/15/407366515.db2.gz VWRWGPQAUJPYLQ-HNNXBMFYSA-N 0 1 305.422 1.144 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000125065765 407378106 /nfs/dbraw/zinc/37/81/06/407378106.db2.gz MMKXIWMLQNBCDN-AWEZNQCLSA-N 0 1 323.462 1.394 10 0 DDAEMN CNC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000111635636 407412983 /nfs/dbraw/zinc/41/29/83/407412983.db2.gz SVORQXVOXNZCGE-CVEARBPZSA-N 0 1 317.433 1.144 10 0 DDAEMN CC(C)(O)CN1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000151529978 407453018 /nfs/dbraw/zinc/45/30/18/407453018.db2.gz HLBYINJWBSJGJM-CQSZACIVSA-N 0 1 319.405 1.218 10 0 DDAEMN COC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000114074204 407537404 /nfs/dbraw/zinc/53/74/04/407537404.db2.gz IDWPRTGRAPYSJQ-KBPBESRZSA-N 0 1 308.353 1.640 10 0 DDAEMN Cc1ncc(CN2CCN(C(=O)c3ccc(CN)o3)CC2)s1 ZINC000178883535 407639563 /nfs/dbraw/zinc/63/95/63/407639563.db2.gz RNQXEIUXWYSKDU-UHFFFAOYSA-N 0 1 320.418 1.461 10 0 DDAEMN N[C@H]1CN(c2ccc(Cl)cc2I)C1=O ZINC000232261104 407702057 /nfs/dbraw/zinc/70/20/57/407702057.db2.gz PCNPDLABZRHVLI-ZETCQYMHSA-N 0 1 322.533 1.619 10 0 DDAEMN [NH3+][C@H](C(=O)N1CCN(CC2CCCCC2)CC1)C1CCOCC1 ZINC000261984306 407702836 /nfs/dbraw/zinc/70/28/36/407702836.db2.gz MIICWGRFFJJIDU-KRWDZBQOSA-N 0 1 323.481 1.465 10 0 DDAEMN CN[C@](C)(C(N)=O)c1ccc(I)cc1 ZINC000234493835 407708009 /nfs/dbraw/zinc/70/80/09/407708009.db2.gz NJZJZUIRMGIURE-JTQLQIEISA-N 0 1 304.131 1.211 10 0 DDAEMN CC(C)c1nc([C@@H]2CCCN2CCC(=O)N2CCNCC2)no1 ZINC000262098838 407738936 /nfs/dbraw/zinc/73/89/36/407738936.db2.gz LXUGHEYYPXKDAV-ZDUSSCGKSA-N 0 1 321.425 1.152 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000262266736 407777949 /nfs/dbraw/zinc/77/79/49/407777949.db2.gz JXWXRJVJVAEPFK-MRXNPFEDSA-N 0 1 306.406 1.416 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1nc(-c2ccccc2)c(C)s1 ZINC000262319279 407797173 /nfs/dbraw/zinc/79/71/73/407797173.db2.gz QBNPDYJOSLKQMZ-CYBMUJFWSA-N 0 1 319.430 1.751 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000262319356 407798299 /nfs/dbraw/zinc/79/82/99/407798299.db2.gz QDUCLCWDAAWIQG-LLVKDONJSA-N 0 1 303.189 1.852 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000262512090 407853132 /nfs/dbraw/zinc/85/31/32/407853132.db2.gz JSBPONGKAZPKHJ-ZNMIVQPWSA-N 0 1 308.378 1.281 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC000262511240 407853388 /nfs/dbraw/zinc/85/33/88/407853388.db2.gz JQWAXMVAMYJZMV-JTQLQIEISA-N 0 1 324.381 1.623 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cnc4ccc(C)cn34)CCO2)n[nH]1 ZINC000180119800 407856101 /nfs/dbraw/zinc/85/61/01/407856101.db2.gz HVRAQJLFQYXRMU-CQSZACIVSA-N 0 1 312.377 1.643 10 0 DDAEMN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000262759135 407919060 /nfs/dbraw/zinc/91/90/60/407919060.db2.gz IWPOFWUTVJOBRU-VXNVDRBHSA-N 0 1 308.325 1.380 10 0 DDAEMN O=S(=O)([N-]CC[C@H]1CC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000262761217 407920161 /nfs/dbraw/zinc/92/01/61/407920161.db2.gz RSVTZHICEFXIDX-MRVPVSSYSA-N 0 1 308.325 1.382 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(OC)CCC2)CCN1CCOC ZINC000181808098 408040927 /nfs/dbraw/zinc/04/09/27/408040927.db2.gz QWGSUCUKQUMNKV-CQSZACIVSA-N 0 1 313.442 1.308 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000175186869 408071334 /nfs/dbraw/zinc/07/13/34/408071334.db2.gz GOJLWYPTUQQRMO-CYBMUJFWSA-N 0 1 305.426 1.608 10 0 DDAEMN CCOCCN1CCN([C@@H]2CCN(C(C)C)C2=O)C[C@H]1CC ZINC000175190595 408074228 /nfs/dbraw/zinc/07/42/28/408074228.db2.gz GCKCRWLQJSMZJE-HZPDHXFCSA-N 0 1 311.470 1.428 10 0 DDAEMN CC[C@H](CSC)NC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000245869563 408084814 /nfs/dbraw/zinc/08/48/14/408084814.db2.gz KWERRJXGBGWHPU-KGLIPLIRSA-N 0 1 317.499 1.880 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000263465658 408147132 /nfs/dbraw/zinc/14/71/32/408147132.db2.gz JZMJFTPIHFGTBA-PPWQZUPISA-N 0 1 323.437 1.898 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246134043 408149845 /nfs/dbraw/zinc/14/98/45/408149845.db2.gz FSYFZVPQOIIHGJ-QWHCGFSZSA-N 0 1 324.421 1.516 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000246146909 408153348 /nfs/dbraw/zinc/15/33/48/408153348.db2.gz YSNQRCCXCNBWGW-KBPBESRZSA-N 0 1 319.453 1.707 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)Nc1cccnc1Cl ZINC000246249901 408191829 /nfs/dbraw/zinc/19/18/29/408191829.db2.gz WKCLXDRWRUBFPY-LBPRGKRZSA-N 0 1 308.813 1.844 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246458326 408262429 /nfs/dbraw/zinc/26/24/29/408262429.db2.gz NGCOCKVRTSKZJY-PMPSAXMXSA-N 0 1 311.470 1.334 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000246298515 408207416 /nfs/dbraw/zinc/20/74/16/408207416.db2.gz XHVCSRRXZJPNOD-NSHDSACASA-N 0 1 316.373 1.742 10 0 DDAEMN CCO[C@H](C)c1noc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000246714527 408323496 /nfs/dbraw/zinc/32/34/96/408323496.db2.gz HNUOQWKEVUAKIK-YNEHKIRRSA-N 0 1 312.414 1.054 10 0 DDAEMN CC[C@H]1CN(Cc2nccc(OC)c2OC)CCN1CCOC ZINC000190523889 408268458 /nfs/dbraw/zinc/26/84/58/408268458.db2.gz GLIWLZZUWWKDSL-AWEZNQCLSA-N 0 1 323.437 1.641 10 0 DDAEMN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190532906 408271331 /nfs/dbraw/zinc/27/13/31/408271331.db2.gz YYTDYQBTJMRLBC-GFCCVEGCSA-N 0 1 321.446 1.711 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCN1C[C@H](C)O ZINC000246814205 408348150 /nfs/dbraw/zinc/34/81/50/408348150.db2.gz KUGIXRCIILHUTF-XJKSGUPXSA-N 0 1 308.397 1.672 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CCO2)n[nH]1 ZINC000136968479 162124106 /nfs/dbraw/zinc/12/41/06/162124106.db2.gz WLQGXUYRYLZFHC-SRVKXCTJSA-N 0 1 323.397 1.018 10 0 DDAEMN CC(C)c1nnc(CN2CCC(N3CCO[C@H](C)C3)CC2)o1 ZINC000171145533 162206904 /nfs/dbraw/zinc/20/69/04/162206904.db2.gz DMODROORTSFALW-CYBMUJFWSA-N 0 1 308.426 1.878 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(CO)c1 ZINC000171618806 162230478 /nfs/dbraw/zinc/23/04/78/162230478.db2.gz OZVQRRYHUWNXGX-GOSISDBHSA-N 0 1 312.413 1.968 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1c(F)cccc1F ZINC000171645551 162233420 /nfs/dbraw/zinc/23/34/20/162233420.db2.gz CJAJIJWJNPUTAK-GHMZBOCLSA-N 0 1 313.348 1.212 10 0 DDAEMN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000172603440 162285754 /nfs/dbraw/zinc/28/57/54/162285754.db2.gz HSMYZCRRQWJNEB-OUAUKWLOSA-N 0 1 316.448 1.091 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)n[nH]1 ZINC000173532343 162345220 /nfs/dbraw/zinc/34/52/20/162345220.db2.gz KDLHQFDIKAVOQR-CYBMUJFWSA-N 0 1 304.325 1.395 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)n[nH]1 ZINC000173515777 162345452 /nfs/dbraw/zinc/34/54/52/162345452.db2.gz CSTFMCFVIQLKMI-CQSZACIVSA-N 0 1 324.344 1.270 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc(F)c3F)CCO2)n[nH]1 ZINC000173516800 162345487 /nfs/dbraw/zinc/34/54/87/162345487.db2.gz YUSGVUHMOHAXIR-LLVKDONJSA-N 0 1 308.288 1.605 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000173523392 162345962 /nfs/dbraw/zinc/34/59/62/162345962.db2.gz PFSWAAFQBFYDJO-VBROQKIQSA-N 0 1 316.336 1.866 10 0 DDAEMN CCCCCCNC(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173656880 162353698 /nfs/dbraw/zinc/35/36/98/162353698.db2.gz JHNXSPCCBUFBJA-ZDUSSCGKSA-N 0 1 309.414 1.183 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n[nH]1 ZINC000173673665 162355100 /nfs/dbraw/zinc/35/51/00/162355100.db2.gz FSQCBXDDYZAVFC-CQSZACIVSA-N 0 1 321.425 1.278 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nc(CC(C)C)no3)CCO2)n[nH]1 ZINC000173680378 162356286 /nfs/dbraw/zinc/35/62/86/162356286.db2.gz NDTPTADRTVLABM-NSHDSACASA-N 0 1 306.370 1.268 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(C)cc3O)CCO2)n[nH]1 ZINC000173754845 162361720 /nfs/dbraw/zinc/36/17/20/162361720.db2.gz ZIBKGFAOIXODQU-ZDUSSCGKSA-N 0 1 302.334 1.341 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173942799 162381159 /nfs/dbraw/zinc/38/11/59/162381159.db2.gz ZKDQRLJPZFPKGT-QGZVFWFLSA-N 0 1 317.433 1.052 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2nc3ccccc3n2C)C[C@@H]1C ZINC000247238789 408436357 /nfs/dbraw/zinc/43/63/57/408436357.db2.gz SCRXEFRHIXTJFL-KBPBESRZSA-N 0 1 302.422 1.460 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2ncccc2C)CC1 ZINC000183549807 408438875 /nfs/dbraw/zinc/43/88/75/408438875.db2.gz BNBOMQPBRVMGCK-LFAOLKIESA-N 0 1 303.406 1.318 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000177702471 408691876 /nfs/dbraw/zinc/69/18/76/408691876.db2.gz KDFASYMCFQDSSE-NSHDSACASA-N 0 1 306.435 1.901 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(Br)o2)CC1 ZINC000191346465 163182640 /nfs/dbraw/zinc/18/26/40/163182640.db2.gz POZYEXSWTIUUNC-LLVKDONJSA-N 0 1 317.227 1.931 10 0 DDAEMN CCOC[C@H](NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)C(C)C ZINC000191821692 163204451 /nfs/dbraw/zinc/20/44/51/163204451.db2.gz SMKHGKHXJHRGPO-KFWWJZLASA-N 0 1 315.458 1.144 10 0 DDAEMN O=C(c1cnc(-c2ncccn2)s1)N1CCN2CCC[C@H]2C1 ZINC000195190488 163312191 /nfs/dbraw/zinc/31/21/91/163312191.db2.gz BXGFULYWBWQRAF-NSHDSACASA-N 0 1 315.402 1.520 10 0 DDAEMN CCn1nc(C)c([C@@H](C)NCCS(=O)(=O)N(C)C)c1C ZINC000230990103 163348989 /nfs/dbraw/zinc/34/89/89/163348989.db2.gz ZHZHWTGVOLDEIG-SNVBAGLBSA-N 0 1 302.444 1.062 10 0 DDAEMN NC(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)nn1 ZINC000301715517 410779158 /nfs/dbraw/zinc/77/91/58/410779158.db2.gz JTLFHZWYWIAHLV-UHFFFAOYSA-N 0 1 300.297 1.246 10 0 DDAEMN C[C@]1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397876488 418762169 /nfs/dbraw/zinc/76/21/69/418762169.db2.gz KCSUWZZIUDSFLN-RLFYNMQTSA-N 0 1 316.401 1.878 10 0 DDAEMN Cc1ncccc1CN1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000548022520 421391095 /nfs/dbraw/zinc/39/10/95/421391095.db2.gz WVPZHGPXSPZDSP-HNNXBMFYSA-N 0 1 308.389 1.541 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(c2nc3cc(F)ccc3o2)C1 ZINC000583616787 422200703 /nfs/dbraw/zinc/20/07/03/422200703.db2.gz CMMLKQTUNLZHLE-CQSZACIVSA-N 0 1 303.297 1.573 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(c2ncnc3cccc(F)c32)C1 ZINC000583616890 422201193 /nfs/dbraw/zinc/20/11/93/422201193.db2.gz UQJQBDMDNWRENQ-HNNXBMFYSA-N 0 1 314.324 1.375 10 0 DDAEMN COc1cccc(OCCN2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000583618001 422201618 /nfs/dbraw/zinc/20/16/18/422201618.db2.gz SHQLYNXABZRLFD-INIZCTEOSA-N 0 1 318.377 1.176 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)NCCCCF)[N@@H+]1Cc1ccccc1 ZINC000630650326 422239322 /nfs/dbraw/zinc/23/93/22/422239322.db2.gz OCYXWFDKQXSLRU-HUUCEWRRSA-N 0 1 322.380 1.970 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)NCCCCF)[N@H+]1Cc1ccccc1 ZINC000630650326 422239326 /nfs/dbraw/zinc/23/93/26/422239326.db2.gz OCYXWFDKQXSLRU-HUUCEWRRSA-N 0 1 322.380 1.970 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC(c2cc(N)n[nH]2)CC1 ZINC000616620393 422516145 /nfs/dbraw/zinc/51/61/45/422516145.db2.gz ZHWDKDWEZOKROD-UHFFFAOYSA-N 0 1 309.414 1.696 10 0 DDAEMN C[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1cccs1 ZINC000171699739 263345904 /nfs/dbraw/zinc/34/59/04/263345904.db2.gz ABVQBCVMMHCICB-QWHCGFSZSA-N 0 1 310.467 1.744 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cn(C(C)(C)C)nn2)n[nH]1 ZINC000328728043 279105667 /nfs/dbraw/zinc/10/56/67/279105667.db2.gz GPHSHJYRVDDFLP-LBPRGKRZSA-N 0 1 317.397 1.827 10 0 DDAEMN CCc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105933580 281051612 /nfs/dbraw/zinc/05/16/12/281051612.db2.gz JESAPVFTRZULSA-CZUORRHYSA-N 0 1 305.422 1.496 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@@H](COC)C2CC2)CCN1CCOC ZINC000120085420 281112437 /nfs/dbraw/zinc/11/24/37/281112437.db2.gz MRCVNVDFEUMGMP-GJZGRUSLSA-N 0 1 313.442 1.164 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NC3CCSCC3)CCO2)n[nH]1 ZINC000175478532 293125714 /nfs/dbraw/zinc/12/57/14/293125714.db2.gz RONDWUOEUCZQIW-LLVKDONJSA-N 0 1 311.411 1.092 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@@H](C)COC)C[C@@H]1CC ZINC000172491693 298250213 /nfs/dbraw/zinc/25/02/13/298250213.db2.gz LIWZQMIVYDFSEL-CABCVRRESA-N 0 1 315.458 1.411 10 0 DDAEMN O=S1(=O)CC[C@H](CCN2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000677692959 486525539 /nfs/dbraw/zinc/52/55/39/486525539.db2.gz LRYLZSNIAOXNTQ-KKUMJFAQSA-N 0 1 301.452 1.438 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)C1CCOCC1 ZINC000179666979 697440202 /nfs/dbraw/zinc/44/02/02/697440202.db2.gz VSTXJPPGUAGXSM-INTQDDNPSA-N 0 1 323.311 1.802 10 0 DDAEMN CCOCCN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000193411053 697664405 /nfs/dbraw/zinc/66/44/05/697664405.db2.gz YWEFHRIYTYAGGD-LBPRGKRZSA-N 0 1 308.382 1.724 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)/C=C\c1ccccc1 ZINC000255057212 698411438 /nfs/dbraw/zinc/41/14/38/698411438.db2.gz ZKJQJBRXOLGYED-JEMSNHSXSA-N 0 1 323.462 1.213 10 0 DDAEMN CCc1ccnc(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)c1 ZINC000263459351 698508218 /nfs/dbraw/zinc/50/82/18/698508218.db2.gz VIADJBUBQCWUCR-UHFFFAOYSA-N 0 1 305.378 1.311 10 0 DDAEMN Cc1cc(C)c(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1C ZINC000263459252 698508376 /nfs/dbraw/zinc/50/83/76/698508376.db2.gz BIXFJKUNSBITEA-QGZVFWFLSA-N 0 1 320.433 1.829 10 0 DDAEMN CCN1CC[C@@H](NC(=O)c2cc(Br)cnc2F)C1 ZINC000700887214 699224418 /nfs/dbraw/zinc/22/44/18/699224418.db2.gz MNJVHVKAWKZIRE-SECBINFHSA-N 0 1 316.174 1.807 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)ccn1 ZINC000886094945 708697286 /nfs/dbraw/zinc/69/72/86/708697286.db2.gz IJIXKYAONAAQRN-CQSZACIVSA-N 0 1 315.377 1.160 10 0 DDAEMN CCOC(=O)c1cnc(CC)nc1N1CCN2CCCC[C@H]2C1 ZINC000891762554 710288355 /nfs/dbraw/zinc/28/83/55/710288355.db2.gz HMBIAIAFTKUJPJ-ZDUSSCGKSA-N 0 1 318.421 1.890 10 0 DDAEMN Cc1ncsc1C[N@H+](C)C[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000248645229 282095519 /nfs/dbraw/zinc/09/55/19/282095519.db2.gz GBELWMHRGKISGN-KBPBESRZSA-N 0 1 322.478 1.436 10 0 DDAEMN COC(=O)C[C@@H](N[C@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900053 192334952 /nfs/dbraw/zinc/33/49/52/192334952.db2.gz OJWWSFIIYKIYFF-NXEZZACHSA-N 0 1 305.421 1.375 10 0 DDAEMN CCn1cnnc1C1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000328645456 231282697 /nfs/dbraw/zinc/28/26/97/231282697.db2.gz GWZFYADHIKRKFJ-CQSZACIVSA-N 0 1 303.410 1.241 10 0 DDAEMN CC(C)NCc1nnc(-n2cc(Br)cn2)s1 ZINC000087698575 185230742 /nfs/dbraw/zinc/23/07/42/185230742.db2.gz QDIDSDRGNSBMEL-UHFFFAOYSA-N 0 1 302.201 1.984 10 0 DDAEMN Nc1nc2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2s1 ZINC000087847149 185233308 /nfs/dbraw/zinc/23/33/08/185233308.db2.gz VPABXAQVSOGZEM-GFCCVEGCSA-N 0 1 302.403 1.703 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000081977616 192348011 /nfs/dbraw/zinc/34/80/11/192348011.db2.gz LWSOCYBMIZEMBO-IINYFYTJSA-N 0 1 315.391 1.061 10 0 DDAEMN C[C@@H](NCC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182198477 539239143 /nfs/dbraw/zinc/23/91/43/539239143.db2.gz MNAMRGRDSCIRMT-GFCCVEGCSA-N 0 1 324.446 1.657 10 0 DDAEMN CN(CCC(F)(F)F)S(=O)(=O)c1ccc(CN)s1 ZINC000088432989 185249848 /nfs/dbraw/zinc/24/98/48/185249848.db2.gz POYLCGYRIYGHLH-UHFFFAOYSA-N 0 1 302.343 1.780 10 0 DDAEMN CCN(CC(F)(F)F)S(=O)(=O)c1ccc(CNC)o1 ZINC000088544057 185256872 /nfs/dbraw/zinc/25/68/72/185256872.db2.gz PTPNADRPZNBMKA-UHFFFAOYSA-N 0 1 300.302 1.572 10 0 DDAEMN CCC(CC)N(CCOC)S(=O)(=O)c1ccc(CNC)o1 ZINC000088544400 185256563 /nfs/dbraw/zinc/25/65/63/185256563.db2.gz WSANITUETRUULM-UHFFFAOYSA-N 0 1 318.439 1.825 10 0 DDAEMN CCN1CN(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000190054460 539254781 /nfs/dbraw/zinc/25/47/81/539254781.db2.gz HQVMQWQPNCUAHI-AWEZNQCLSA-N 0 1 318.421 1.338 10 0 DDAEMN Nc1c2nccnc2sc1C(=O)N[C@H]1CN2CCC1CC2 ZINC000088639553 185260431 /nfs/dbraw/zinc/26/04/31/185260431.db2.gz ZDRIDWYMAZLAJW-VIFPVBQESA-N 0 1 303.391 1.098 10 0 DDAEMN C[C@@H](N[C@H]1CC(=O)N(C)C1=O)c1ccc(Br)s1 ZINC000088774669 185265273 /nfs/dbraw/zinc/26/52/73/185265273.db2.gz OYRZMHLUBBZPKL-RQJHMYQMSA-N 0 1 317.208 1.919 10 0 DDAEMN O=C([C@H]1CCCN1Cc1ccncc1Cl)N1CCNCC1 ZINC000088782489 185265704 /nfs/dbraw/zinc/26/57/04/185265704.db2.gz BGVAEMNPGPAYDQ-CQSZACIVSA-N 0 1 308.813 1.131 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000088887507 185269367 /nfs/dbraw/zinc/26/93/67/185269367.db2.gz KCALYLFLQIDZPD-ONGXEEELSA-N 0 1 301.412 1.410 10 0 DDAEMN Cc1cc(C(=O)Nc2c(F)cc(S(N)(=O)=O)cc2F)no1 ZINC000090253929 185288240 /nfs/dbraw/zinc/28/82/40/185288240.db2.gz VHXMQKPGXSTHBK-UHFFFAOYSA-N 0 1 317.273 1.161 10 0 DDAEMN C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388927 185294139 /nfs/dbraw/zinc/29/41/39/185294139.db2.gz MBZDZOLJYCTULR-NWDGAFQWSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388927 185294140 /nfs/dbraw/zinc/29/41/40/185294140.db2.gz MBZDZOLJYCTULR-NWDGAFQWSA-N 0 1 312.753 1.310 10 0 DDAEMN Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H]1CC[N@H+](C)C1 ZINC000092557046 185325735 /nfs/dbraw/zinc/32/57/35/185325735.db2.gz HDNXBZQOAGNJSB-SNVBAGLBSA-N 0 1 306.391 1.793 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622129 185329785 /nfs/dbraw/zinc/32/97/85/185329785.db2.gz LKPQLTBDRSJGLM-LLVKDONJSA-N 0 1 301.387 1.123 10 0 DDAEMN COc1ccc(Cl)cc1NC(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092779502 185340136 /nfs/dbraw/zinc/34/01/36/185340136.db2.gz TUBAWDJSBVLKRQ-LLVKDONJSA-N 0 1 306.753 1.725 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\SCc2ccco2)C[C@@H]1C ZINC000255862873 282281733 /nfs/dbraw/zinc/28/17/33/282281733.db2.gz XTQMPSHUNIBYIQ-UXCCSRGFSA-N 0 1 324.446 1.940 10 0 DDAEMN C[C@H]1CC[C@@H](n2nnc(CN)c2I)C1 ZINC000675051953 539562716 /nfs/dbraw/zinc/56/27/16/539562716.db2.gz YIWROCSWZXMWSX-NKWVEPMBSA-N 0 1 306.151 1.703 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2c(F)cc(F)cc2F)n[nH]1 ZINC000080526907 192165234 /nfs/dbraw/zinc/16/52/34/192165234.db2.gz HCQKLIDFQKFHHU-UHFFFAOYSA-N 0 1 320.296 1.351 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N(C)Cc1n[nH]c(C)n1 ZINC000080511159 192164201 /nfs/dbraw/zinc/16/42/01/192164201.db2.gz IWXCEXHKCLEOJJ-UHFFFAOYSA-N 0 1 309.395 1.078 10 0 DDAEMN COCCN1CCN(Cc2cc(C(=O)OC)ccc2F)C[C@H]1C ZINC000181924169 186220063 /nfs/dbraw/zinc/22/00/63/186220063.db2.gz ACQZHBRSPIXDPJ-CYBMUJFWSA-N 0 1 324.396 1.765 10 0 DDAEMN Oc1cccc(CN[C@@H]2CCOC[C@@H]2O)c1Br ZINC000623767497 366046022 /nfs/dbraw/zinc/04/60/22/366046022.db2.gz XBJOZPTUOCDUSW-KOLCDFICSA-N 0 1 302.168 1.394 10 0 DDAEMN Oc1cccc(CN[C@H]2CCOC[C@@H]2O)c1Br ZINC000623767499 366046065 /nfs/dbraw/zinc/04/60/65/366046065.db2.gz XBJOZPTUOCDUSW-ONGXEEELSA-N 0 1 302.168 1.394 10 0 DDAEMN Cc1ncsc1/C=C\C1=C(C(=O)[O-])N2C(=O)[C@@H]([NH3+])[C@@H]2SC1 ZINC000035995408 352294387 /nfs/dbraw/zinc/29/43/87/352294387.db2.gz SDEIKNWRVHSKQN-QBQLBGLSSA-N 0 1 323.399 1.046 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2)CCN1C[C@@H](C)O ZINC000173272830 198204070 /nfs/dbraw/zinc/20/40/70/198204070.db2.gz PHJBSNFJPUIXJT-ZBFHGGJFSA-N 0 1 305.422 1.673 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000173578792 198230166 /nfs/dbraw/zinc/23/01/66/198230166.db2.gz IHQULNNEWLQDEJ-ZDUSSCGKSA-N 0 1 318.352 1.649 10 0 DDAEMN Cc1ccc(C)c(CC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174305675 198317051 /nfs/dbraw/zinc/31/70/51/198317051.db2.gz LRPDHCZSPUCSSK-HZPDHXFCSA-N 0 1 304.434 1.759 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000174620055 198360674 /nfs/dbraw/zinc/36/06/74/198360674.db2.gz KUGIXRCIILHUTF-CZUORRHYSA-N 0 1 308.397 1.672 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2F)CCN1C[C@@H](C)O ZINC000174640080 198363587 /nfs/dbraw/zinc/36/35/87/198363587.db2.gz KDEQFNRNTNTNPL-HIFRSBDPSA-N 0 1 308.397 1.672 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000135614417 354115389 /nfs/dbraw/zinc/11/53/89/354115389.db2.gz MOLVYAKOSMQSEG-OAHLLOKOSA-N 0 1 324.396 1.501 10 0 DDAEMN COc1cccc(C(=O)Nc2cnc(-n3cccn3)[nH]c2=O)c1 ZINC000167559761 354250697 /nfs/dbraw/zinc/25/06/97/354250697.db2.gz DITKEFZOOAMKQC-UHFFFAOYSA-N 0 1 311.301 1.629 10 0 DDAEMN C[C@@H](O)[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000080738557 192186690 /nfs/dbraw/zinc/18/66/90/192186690.db2.gz GRKNESVTAGTJQZ-UHNVWZDZSA-N 0 1 319.235 1.041 10 0 DDAEMN COC(=O)c1cnc([C@@H](C)NCC2(O)CCSCC2)s1 ZINC000595550439 356545479 /nfs/dbraw/zinc/54/54/79/356545479.db2.gz QFBJAJUYORTEJU-SECBINFHSA-N 0 1 316.448 1.838 10 0 DDAEMN CN(Cc1cc(Br)cs1)C(=O)[C@@]1(N)CCOC1 ZINC000085877475 192538716 /nfs/dbraw/zinc/53/87/16/192538716.db2.gz SGOIXGURZSNWMI-LLVKDONJSA-N 0 1 319.224 1.587 10 0 DDAEMN CCn1nc(C)c(Br)c1CNC[C@H]1COCCO1 ZINC000089276688 192756659 /nfs/dbraw/zinc/75/66/59/192756659.db2.gz VEOBRXPGFBOPHE-JTQLQIEISA-N 0 1 318.215 1.479 10 0 DDAEMN OC[C@@H]1CN(Cc2cn3cccnc3n2)C[C@H]1c1ccsc1 ZINC000188084196 200191350 /nfs/dbraw/zinc/19/13/50/200191350.db2.gz HOYAUFZJPSSPPY-ZFWWWQNUSA-N 0 1 314.414 1.999 10 0 DDAEMN CCN(C)C(=O)[C@@H](C)NCc1cnc2c(cnn2C(C)C)c1 ZINC000188891046 200317710 /nfs/dbraw/zinc/31/77/10/200317710.db2.gz JMMOWQVDXUEYGB-GFCCVEGCSA-N 0 1 303.410 1.969 10 0 DDAEMN Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccccc1 ZINC000006859733 181398755 /nfs/dbraw/zinc/39/87/55/181398755.db2.gz ZYYZYRMLOQMXBR-UHFFFAOYSA-N 0 1 321.383 1.865 10 0 DDAEMN O=C1N(Cc2ccc(Br)s2)C[C@@H]2CNCCN12 ZINC000091751097 193101964 /nfs/dbraw/zinc/10/19/64/193101964.db2.gz NKOGUMIAYDJRQI-QMMMGPOBSA-N 0 1 316.224 1.720 10 0 DDAEMN Cc1ccc(OCCCS(C)(=O)=O)c(CNC(C)C)n1 ZINC000091995445 193138338 /nfs/dbraw/zinc/13/83/38/193138338.db2.gz CLBOHAZTGUEHCR-UHFFFAOYSA-N 0 1 300.424 1.702 10 0 DDAEMN CC(C)NCc1nc(CN(C)CCS(C)(=O)=O)cs1 ZINC000094300902 193359037 /nfs/dbraw/zinc/35/90/37/193359037.db2.gz DYDIYPVYUIAXAW-UHFFFAOYSA-N 0 1 305.469 1.118 10 0 DDAEMN CCN1CCC(NS(=O)(=O)c2cc(C)cc(N)c2C)CC1 ZINC000094358456 193364203 /nfs/dbraw/zinc/36/42/03/193364203.db2.gz DLSSKTJRWIEDFX-UHFFFAOYSA-N 0 1 311.451 1.648 10 0 DDAEMN CN[C@@H](c1cscc1Br)[C@H]1CN2CCN1CC2 ZINC000094509051 193375414 /nfs/dbraw/zinc/37/54/14/193375414.db2.gz NVUXZNKOJUFAKN-NEPJUHHUSA-N 0 1 316.268 1.771 10 0 DDAEMN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(CN)o2)c1 ZINC000094570280 193380919 /nfs/dbraw/zinc/38/09/19/193380919.db2.gz RRNNUJRLCIGKMT-UHFFFAOYSA-N 0 1 309.347 1.362 10 0 DDAEMN O=c1[nH]nc2n1CCN(Cc1cnc(C(F)(F)F)s1)C2 ZINC000333716106 249080054 /nfs/dbraw/zinc/08/00/54/249080054.db2.gz NCVAYDDRGKRFAB-UHFFFAOYSA-N 0 1 305.285 1.475 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)NCCN2CCCCCC2)c1 ZINC000040767270 183131531 /nfs/dbraw/zinc/13/15/31/183131531.db2.gz CGBGSHGORXIPMY-UHFFFAOYSA-N 0 1 311.451 1.732 10 0 DDAEMN Cc1n[nH]cc1S(=O)(=O)Nc1cccnc1N1CCCC1 ZINC000040824527 183137677 /nfs/dbraw/zinc/13/76/77/183137677.db2.gz UQKJPGMMTOLXNX-UHFFFAOYSA-N 0 1 307.379 1.514 10 0 DDAEMN CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(CN)s1 ZINC000042594167 183289754 /nfs/dbraw/zinc/28/97/54/183289754.db2.gz DUVDWQKATIIMRQ-SNVBAGLBSA-N 0 1 306.453 1.642 10 0 DDAEMN CCCCN([C@@H](C)CC)S(=O)(=O)c1cnc(NN)nc1 ZINC000042611304 183291558 /nfs/dbraw/zinc/29/15/58/183291558.db2.gz OJRPGLSXTAZPFC-JTQLQIEISA-N 0 1 301.416 1.352 10 0 DDAEMN C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1nn[nH]n1 ZINC000044931340 183459540 /nfs/dbraw/zinc/45/95/40/183459540.db2.gz SAGNDEJEHGAXMC-LURJTMIESA-N 0 1 321.284 1.666 10 0 DDAEMN CC[C@H]1CN(CC(=O)NCc2ccccc2)CCN1CCOC ZINC000105836094 194141426 /nfs/dbraw/zinc/14/14/26/194141426.db2.gz WUVOVXNWOOIJDS-KRWDZBQOSA-N 0 1 319.449 1.345 10 0 DDAEMN CC(C)CCNC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000105883923 194157069 /nfs/dbraw/zinc/15/70/69/194157069.db2.gz IUVYMRPRSLHFJK-CABCVRRESA-N 0 1 307.442 1.541 10 0 DDAEMN COCCCNC(=O)[C@H](C)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105895544 194161757 /nfs/dbraw/zinc/16/17/57/194161757.db2.gz HJHGNJFYRUXLKK-LSDHHAIUSA-N 0 1 322.453 1.715 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000106430055 194213704 /nfs/dbraw/zinc/21/37/04/194213704.db2.gz LRZCXWDQBTXYEE-MRXNPFEDSA-N 0 1 318.417 1.525 10 0 DDAEMN Cc1nc(CN)sc1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000110790859 194359028 /nfs/dbraw/zinc/35/90/28/194359028.db2.gz MCFOEBOPAOYYMB-UHFFFAOYSA-N 0 1 322.415 1.857 10 0 DDAEMN CN(Cc1cccs1)C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145693 184163112 /nfs/dbraw/zinc/16/31/12/184163112.db2.gz ISYGULKWUBLGTG-UHFFFAOYSA-N 0 1 311.407 1.392 10 0 DDAEMN CCC1(CC)CCN(S(=O)(=O)c2cnc(NN)nc2)CC1 ZINC000062960036 184262318 /nfs/dbraw/zinc/26/23/18/184262318.db2.gz DTHQVUYMYFXYGW-UHFFFAOYSA-N 0 1 313.427 1.353 10 0 DDAEMN O=C([O-])c1c(N2CCC[N@H+]3CCC[C@@H]3C2)nc2sccn21 ZINC000062941097 184261523 /nfs/dbraw/zinc/26/15/23/184261523.db2.gz YJVLXRUDMRSWJE-SNVBAGLBSA-N 0 1 306.391 1.769 10 0 DDAEMN CNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 ZINC000247985379 257113057 /nfs/dbraw/zinc/11/30/57/257113057.db2.gz YWIUPHBSQBTJFS-YDHLFZDLSA-N 0 1 318.373 1.283 10 0 DDAEMN Cc1cccc(CN2C[C@@H]3OC[C@@H](CN4CCCC4=O)[C@@H]3C2)n1 ZINC000247901483 257114998 /nfs/dbraw/zinc/11/49/98/257114998.db2.gz ZBRLBZFDRRQMDA-PVAVHDDUSA-N 0 1 315.417 1.459 10 0 DDAEMN Cc1ccc(N2C[C@H]3CN(Cc4ccoc4)CCO[C@H]3C2)nn1 ZINC000247901471 257115343 /nfs/dbraw/zinc/11/53/43/257115343.db2.gz IRLWRRZNDSCZQY-CVEARBPZSA-N 0 1 314.389 1.715 10 0 DDAEMN Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)o1 ZINC000096216907 257133320 /nfs/dbraw/zinc/13/33/20/257133320.db2.gz JOKSPRGUGWEBAA-APHBMKBZSA-N 0 1 304.390 1.846 10 0 DDAEMN O=C1CCCN1CC[C@@H]1CCOC12CN(C1CCOCC1)C2 ZINC000253616727 257104406 /nfs/dbraw/zinc/10/44/06/257104406.db2.gz BBMQDYMMXVEHRU-CQSZACIVSA-N 0 1 308.422 1.269 10 0 DDAEMN Fc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccnc4)C[C@@H]3C2)nc1 ZINC000503715773 257209327 /nfs/dbraw/zinc/20/93/27/257209327.db2.gz AZCHWOHVIGFKOP-HIFRSBDPSA-N 0 1 315.352 1.353 10 0 DDAEMN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000121671181 195327057 /nfs/dbraw/zinc/32/70/57/195327057.db2.gz FMZLBFKVGOVDPT-QWRGUYRKSA-N 0 1 306.332 1.962 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NCCCOC)C12CCCC2 ZINC000125648244 286245813 /nfs/dbraw/zinc/24/58/13/286245813.db2.gz TYCXUZRXSJXSPW-HUUCEWRRSA-N 0 1 312.454 1.809 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000008203709 406781137 /nfs/dbraw/zinc/78/11/37/406781137.db2.gz PCBSKEHYGIAKNB-VIFPVBQESA-N 0 1 306.790 1.804 10 0 DDAEMN NC[C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000008037378 406776964 /nfs/dbraw/zinc/77/69/64/406776964.db2.gz FIQDPXDHPJKUKC-OAHLLOKOSA-N 0 1 305.355 1.889 10 0 DDAEMN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035018986 406966447 /nfs/dbraw/zinc/96/64/47/406966447.db2.gz YJKXBNYVSIKXDL-RYUDHWBXSA-N 0 1 312.435 1.655 10 0 DDAEMN Cc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(C)C)cc2)c1 ZINC000029313877 406922429 /nfs/dbraw/zinc/92/24/29/406922429.db2.gz DCLROICWINVSJN-UHFFFAOYSA-N 0 1 323.360 1.888 10 0 DDAEMN C[C@H](NC(=O)C(=O)N1CCNCC1)c1ccc(Cl)s1 ZINC000049148294 407116807 /nfs/dbraw/zinc/11/68/07/407116807.db2.gz ZIPVBWIIPNUNQG-QMMMGPOBSA-N 0 1 301.799 1.011 10 0 DDAEMN COC(=O)CCNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000102688044 407326312 /nfs/dbraw/zinc/32/63/12/407326312.db2.gz WVJVEWQXGKOHMO-VIFPVBQESA-N 0 1 300.305 1.295 10 0 DDAEMN CSCCc1nc([C@H]2CCCCC[N@@H+]2C)n(CC(=O)[O-])n1 ZINC000097785657 407303400 /nfs/dbraw/zinc/30/34/00/407303400.db2.gz BNSNKELTMOCGCA-LLVKDONJSA-N 0 1 312.439 1.815 10 0 DDAEMN CSCCc1nc([C@H]2CCCCC[N@H+]2C)n(CC(=O)[O-])n1 ZINC000097785657 407303401 /nfs/dbraw/zinc/30/34/01/407303401.db2.gz BNSNKELTMOCGCA-LLVKDONJSA-N 0 1 312.439 1.815 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)NCCCOC)C12CCCC2 ZINC000125647816 407394383 /nfs/dbraw/zinc/39/43/83/407394383.db2.gz TYCXUZRXSJXSPW-LSDHHAIUSA-N 0 1 312.454 1.809 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1F ZINC000113306189 407494881 /nfs/dbraw/zinc/49/48/81/407494881.db2.gz PIXVFFKASPXCCF-ZYHUDNBSSA-N 0 1 316.373 1.822 10 0 DDAEMN CCc1nnc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)n1C ZINC000152157420 407572998 /nfs/dbraw/zinc/57/29/98/407572998.db2.gz IUFJGMXQZXBEJK-GFCCVEGCSA-N 0 1 315.425 1.753 10 0 DDAEMN CCc1nnc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1C ZINC000152157420 407573006 /nfs/dbraw/zinc/57/30/06/407573006.db2.gz IUFJGMXQZXBEJK-GFCCVEGCSA-N 0 1 315.425 1.753 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000170873438 407542025 /nfs/dbraw/zinc/54/20/25/407542025.db2.gz DPZJBAGOBDBVBM-SNVBAGLBSA-N 0 1 320.361 1.613 10 0 DDAEMN Cc1oncc1CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000128537391 407547978 /nfs/dbraw/zinc/54/79/78/407547978.db2.gz IRALEDLMZFPUQL-KRWDZBQOSA-N 0 1 322.453 1.210 10 0 DDAEMN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000171182098 407617398 /nfs/dbraw/zinc/61/73/98/407617398.db2.gz CAJADWYWUAESET-QWRGUYRKSA-N 0 1 300.318 1.528 10 0 DDAEMN CCc1nnc(CSc2nc(-c3cccnc3)n[nH]2)n1C ZINC000171290734 407651602 /nfs/dbraw/zinc/65/16/02/407651602.db2.gz WQMWEXKISDHZQE-UHFFFAOYSA-N 0 1 301.379 1.850 10 0 DDAEMN COC[C@@H](N)C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000262192484 407763045 /nfs/dbraw/zinc/76/30/45/407763045.db2.gz CJFRYJUMAOIBPG-IAGOWNOFSA-N 0 1 320.433 1.519 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000262363048 407811273 /nfs/dbraw/zinc/81/12/73/407811273.db2.gz VUOGXUDXDKGMHF-GFCCVEGCSA-N 0 1 317.345 1.753 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000262363926 407812836 /nfs/dbraw/zinc/81/28/36/407812836.db2.gz VWBOCUGNWGZHMB-JQWIXIFHSA-N 0 1 305.403 1.961 10 0 DDAEMN COCC[N@@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C ZINC000117425034 407833665 /nfs/dbraw/zinc/83/36/65/407833665.db2.gz HEWOEFQZWHXORT-JTQLQIEISA-N 0 1 314.332 1.463 10 0 DDAEMN COCC[N@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C ZINC000117425034 407833668 /nfs/dbraw/zinc/83/36/68/407833668.db2.gz HEWOEFQZWHXORT-JTQLQIEISA-N 0 1 314.332 1.463 10 0 DDAEMN CCO[C@H]1C[C@H](NCc2cc(C(N)=O)co2)C12CCOCC2 ZINC000187711642 407881390 /nfs/dbraw/zinc/88/13/90/407881390.db2.gz LORFQPXORRQZEP-KBPBESRZSA-N 0 1 308.378 1.442 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000187728344 407885108 /nfs/dbraw/zinc/88/51/08/407885108.db2.gz AAXQBOJFELCBNU-ZIAGYGMSSA-N 0 1 315.458 1.288 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000187728360 407885389 /nfs/dbraw/zinc/88/53/89/407885389.db2.gz AAXQBOJFELCBNU-KGLIPLIRSA-N 0 1 315.458 1.288 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173547105 407888790 /nfs/dbraw/zinc/88/87/90/407888790.db2.gz ZRFVIKWOTBCPMM-CQSZACIVSA-N 0 1 300.362 1.564 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000118857329 407955732 /nfs/dbraw/zinc/95/57/32/407955732.db2.gz HEPRPHQXPJPOFJ-RDJZCZTQSA-N 0 1 319.449 1.080 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCCOC(C)C)C1 ZINC000262957249 407982046 /nfs/dbraw/zinc/98/20/46/407982046.db2.gz IRCOPWAHVPJMKX-UHFFFAOYSA-N 0 1 315.414 1.038 10 0 DDAEMN CCCCc1noc([C@@H](C)N2CCN(C[C@H](O)CC)CC2)n1 ZINC000174083726 407914784 /nfs/dbraw/zinc/91/47/84/407914784.db2.gz LKVBFOQOYSOKQR-ZIAGYGMSSA-N 0 1 310.442 1.862 10 0 DDAEMN CCOCCN1CC[N@H+](CCO[C@@H]2CCCCO2)C[C@@H]1CC ZINC000181689362 408026845 /nfs/dbraw/zinc/02/68/45/408026845.db2.gz MUIOAJYEWCCPHV-DLBZAZTESA-N 0 1 314.470 1.962 10 0 DDAEMN CCNC(=O)c1ccc(N2CCN(CCOCC)[C@H](C)C2)nc1 ZINC000174735592 407987444 /nfs/dbraw/zinc/98/74/44/407987444.db2.gz IQVYBACVOAQBAV-CQSZACIVSA-N 0 1 320.437 1.378 10 0 DDAEMN Cc1ccc(N2CCCN([C@H]3CCN(C(C)C)C3=O)CC2)nn1 ZINC000245481803 407996982 /nfs/dbraw/zinc/99/69/82/407996982.db2.gz YSNBINSENUJUFS-HNNXBMFYSA-N 0 1 317.437 1.306 10 0 DDAEMN C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1N1CCOCC1 ZINC000245754713 408059980 /nfs/dbraw/zinc/05/99/80/408059980.db2.gz OJZZHPCNNPMHFN-GOEBONIOSA-N 0 1 306.454 1.791 10 0 DDAEMN CN1CCO[C@@H](CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000175223735 408084746 /nfs/dbraw/zinc/08/47/46/408084746.db2.gz ULLHCFBNGUADJZ-LSDHHAIUSA-N 0 1 323.824 1.366 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCCOC3CCCC3)CCO2)n[nH]1 ZINC000175420788 408127591 /nfs/dbraw/zinc/12/75/91/408127591.db2.gz IMVPJWKDSBLQLY-CYBMUJFWSA-N 0 1 323.397 1.155 10 0 DDAEMN CC1CCN(CC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000137076279 408139610 /nfs/dbraw/zinc/13/96/10/408139610.db2.gz XDACCFVDLDNFDB-CYBMUJFWSA-N 0 1 309.435 1.775 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3nccs3)CCO2)n[nH]1 ZINC000137111256 408142592 /nfs/dbraw/zinc/14/25/92/408142592.db2.gz WZTBAYBPDFJTPH-VIFPVBQESA-N 0 1 322.394 1.107 10 0 DDAEMN CC(C)C[C@@H](Nc1nc(N[C@@H]2CCCOC2)cc[nH+]1)C(=O)[O-] ZINC000263526955 408163939 /nfs/dbraw/zinc/16/39/39/408163939.db2.gz ULWARQHBPBHOQU-VXGBXAGGSA-N 0 1 308.382 1.979 10 0 DDAEMN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000150858637 408215406 /nfs/dbraw/zinc/21/54/06/408215406.db2.gz GYZZUZOUVPKLSL-RISCZKNCSA-N 0 1 314.389 1.382 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000150858637 408215410 /nfs/dbraw/zinc/21/54/10/408215410.db2.gz GYZZUZOUVPKLSL-RISCZKNCSA-N 0 1 314.389 1.382 10 0 DDAEMN Cc1c([C@H](C)N[C@@H]2CCNC2=O)cnn1-c1ccc(F)cc1 ZINC000182857393 408265507 /nfs/dbraw/zinc/26/55/07/408265507.db2.gz KCEUCEYBNYAXFW-ZUZCIYMTSA-N 0 1 302.353 1.859 10 0 DDAEMN CC(C)COC[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000176354878 408347029 /nfs/dbraw/zinc/34/70/29/408347029.db2.gz WVBKSZJQARKFRW-DLBZAZTESA-N 0 1 322.449 1.309 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)CCN1C[C@H](C)O ZINC000246848573 408353167 /nfs/dbraw/zinc/35/31/67/408353167.db2.gz MVMBFHSXUFLDHN-YWPYICTPSA-N 0 1 323.437 1.699 10 0 DDAEMN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](N)c3ccccc3)CCO2)c1 ZINC000168238971 162178739 /nfs/dbraw/zinc/17/87/39/162178739.db2.gz NJHGGKGWPXBSFD-JKSUJKDBSA-N 0 1 314.389 1.119 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)n[nH]1 ZINC000173582346 162348880 /nfs/dbraw/zinc/34/88/80/162348880.db2.gz SQEYIFUBFLTMAN-LBPRGKRZSA-N 0 1 304.325 1.720 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)N(C)c3ccccc3)CCO2)n[nH]1 ZINC000173662657 162355107 /nfs/dbraw/zinc/35/51/07/162355107.db2.gz OBYOGRFPGMVZRN-CQSZACIVSA-N 0 1 315.377 1.149 10 0 DDAEMN CN(C)CC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176526435 408387865 /nfs/dbraw/zinc/38/78/65/408387865.db2.gz YQGSJJZKFUDMCL-ZDUSSCGKSA-N 0 1 311.451 1.141 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2nccn2-c2ccccc2)C[C@@H]1C ZINC000191336091 408408719 /nfs/dbraw/zinc/40/87/19/408408719.db2.gz KOTHVDKCLKFMBR-JKSUJKDBSA-N 0 1 314.433 1.759 10 0 DDAEMN COC(=O)c1ccc(N2CCN3CCCC[C@@H]3C2)nc1OC ZINC000274707379 408502654 /nfs/dbraw/zinc/50/26/54/408502654.db2.gz WSJLBQWYCCBPRV-GFCCVEGCSA-N 0 1 305.378 1.551 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247395651 408464181 /nfs/dbraw/zinc/46/41/81/408464181.db2.gz XSDVWXRXCCWBEB-JKSUJKDBSA-N 0 1 321.469 1.883 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000247395651 408464185 /nfs/dbraw/zinc/46/41/85/408464185.db2.gz XSDVWXRXCCWBEB-JKSUJKDBSA-N 0 1 321.469 1.883 10 0 DDAEMN CCCC[C@H](C(=O)OC)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247400345 408465405 /nfs/dbraw/zinc/46/54/05/408465405.db2.gz YHZPLFIBILROJO-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN O[C@H](COc1ccccc1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247397346 408466197 /nfs/dbraw/zinc/46/61/97/408466197.db2.gz XYQCHYYXHDGTPP-CABCVRRESA-N 0 1 302.378 1.355 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)c3c(O)cccc3F)CCO2)cn1 ZINC000191725889 408477989 /nfs/dbraw/zinc/47/79/89/408477989.db2.gz UXGMUCUELBKUIT-AWEZNQCLSA-N 0 1 319.336 1.961 10 0 DDAEMN Cc1cccc(CNC(=O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000248326309 408548488 /nfs/dbraw/zinc/54/84/88/408548488.db2.gz BVFURMJWYNRHNX-KRWDZBQOSA-N 0 1 301.434 1.781 10 0 DDAEMN C[C@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC000177249103 408563406 /nfs/dbraw/zinc/56/34/06/408563406.db2.gz ONFXRWUNJSHSIU-LTIDMASMSA-N 0 1 323.481 1.334 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(C(=O)CCCCc3cn[nH]n3)C2)c1 ZINC000184759303 408683927 /nfs/dbraw/zinc/68/39/27/408683927.db2.gz SDSCNXRJRSPRKD-OAHLLOKOSA-N 0 1 316.409 1.886 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2cccnc2)CCN1C[C@@H](C)O ZINC000184797557 408691617 /nfs/dbraw/zinc/69/16/17/408691617.db2.gz DHZSOJLGZSPPHX-GDBMZVCRSA-N 0 1 320.437 1.111 10 0 DDAEMN CN1CCO[C@@H](CN[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000252442960 408793572 /nfs/dbraw/zinc/79/35/72/408793572.db2.gz KPBDBQGKWNESRI-JSGCOSHPSA-N 0 1 323.824 1.366 10 0 DDAEMN CCOCCN1CC[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CC ZINC000252321792 408793884 /nfs/dbraw/zinc/79/38/84/408793884.db2.gz ZAFQTCCCVZBYMC-HZPDHXFCSA-N 0 1 302.459 1.205 10 0 DDAEMN C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[N@H+]3CCCC[C@@H]3C1)CS2 ZINC000195068251 408810373 /nfs/dbraw/zinc/81/03/73/408810373.db2.gz AQQSERPWEVFKDK-WWGRRREGSA-N 0 1 323.462 1.137 10 0 DDAEMN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN3CCCC[C@@H]3C1)CS2 ZINC000195068251 408810377 /nfs/dbraw/zinc/81/03/77/408810377.db2.gz AQQSERPWEVFKDK-WWGRRREGSA-N 0 1 323.462 1.137 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H](C)C(C)C)CCO2)n[nH]1 ZINC000178150939 408780810 /nfs/dbraw/zinc/78/08/10/408780810.db2.gz YTNKOBMUAVMJJH-RYUDHWBXSA-N 0 1 309.414 1.742 10 0 DDAEMN Cn1ccnc1[C@H]1CN(C[C@@H](O)Cc2ccccc2)CCN1C ZINC000280176348 409264242 /nfs/dbraw/zinc/26/42/42/409264242.db2.gz SSYNMBNJQDXNIL-DLBZAZTESA-N 0 1 314.433 1.312 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@H]2CC[C@@H](C)C2)C1 ZINC000263343455 163953614 /nfs/dbraw/zinc/95/36/14/163953614.db2.gz FZVNRJZZUQGFPK-IWMBGFJWSA-N 0 1 311.426 1.659 10 0 DDAEMN CCc1nc([C@@H]2CN(c3cc(Cl)nc(C)n3)CCO2)n[nH]1 ZINC000131648278 196187304 /nfs/dbraw/zinc/18/73/04/196187304.db2.gz RHEYTLDNEJPVMO-VIFPVBQESA-N 0 1 308.773 1.697 10 0 DDAEMN O[C@@H]1CN[C@H](c2nc(-c3cccc(Br)c3)no2)C1 ZINC000131711856 196192989 /nfs/dbraw/zinc/19/29/89/196192989.db2.gz WZXQGPRQSWRASM-UWVGGRQHSA-N 0 1 310.151 1.894 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190403646 222077908 /nfs/dbraw/zinc/07/79/08/222077908.db2.gz QWJUDLXRBOFSEO-LLVKDONJSA-N 0 1 324.450 1.806 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630673846 422262662 /nfs/dbraw/zinc/26/26/62/422262662.db2.gz WUEYGYACCIBEON-RZFFKMDDSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630673846 422262668 /nfs/dbraw/zinc/26/26/68/422262668.db2.gz WUEYGYACCIBEON-RZFFKMDDSA-N 0 1 302.374 1.629 10 0 DDAEMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CNC(=O)C1 ZINC000194875605 263528488 /nfs/dbraw/zinc/52/84/88/263528488.db2.gz RMTZWEFIHRSBPY-VIFPVBQESA-N 0 1 310.313 1.898 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000344664056 272084271 /nfs/dbraw/zinc/08/42/71/272084271.db2.gz WUMVTGHLBCGAHV-IRXDYDNUSA-N 0 1 318.417 1.259 10 0 DDAEMN CC(C)NC1(Cc2cc(C(=O)N3CCCCC3)on2)COC1 ZINC000067898517 277662329 /nfs/dbraw/zinc/66/23/29/277662329.db2.gz WDXIKMODTFSCMU-UHFFFAOYSA-N 0 1 307.394 1.610 10 0 DDAEMN C[C@@H](C[S@](C)=O)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000161870391 278296472 /nfs/dbraw/zinc/29/64/72/278296472.db2.gz RFOKTUVDSJLHQV-RNODOKPDSA-N 0 1 300.443 1.956 10 0 DDAEMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H](N2CCOCC2)C1 ZINC000173944000 279232060 /nfs/dbraw/zinc/23/20/60/279232060.db2.gz FGDXNVJNKOZSJE-NCOADZHNSA-N 0 1 323.481 1.476 10 0 DDAEMN O=C(c1occc1Br)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000573848893 304618877 /nfs/dbraw/zinc/61/88/77/304618877.db2.gz KNIIVYYNHPNDDN-UWVGGRQHSA-N 0 1 315.167 1.245 10 0 DDAEMN CN1CC[C@H]([N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423160 300394301 /nfs/dbraw/zinc/39/43/01/300394301.db2.gz OYJGFHSBAWPSBO-ONGXEEELSA-N 0 1 316.327 1.839 10 0 DDAEMN CN1CC[C@H](N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423160 300394304 /nfs/dbraw/zinc/39/43/04/300394304.db2.gz OYJGFHSBAWPSBO-ONGXEEELSA-N 0 1 316.327 1.839 10 0 DDAEMN Cc1ccnc(NC[C@@H]2CCN(c3ncnc4nc[nH]c43)C2)c1 ZINC000377541463 307272305 /nfs/dbraw/zinc/27/23/05/307272305.db2.gz DAYKPSSEQMCQCL-LBPRGKRZSA-N 0 1 309.377 1.995 10 0 DDAEMN COCCN1CCN(Cn2cnc(-c3ccccc3)n2)C[C@H]1C ZINC000117864246 696671596 /nfs/dbraw/zinc/67/15/96/696671596.db2.gz USXAENNQHZNONB-OAHLLOKOSA-N 0 1 315.421 1.555 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177169520 697410533 /nfs/dbraw/zinc/41/05/33/697410533.db2.gz LKXSDEYYKGFSQJ-OUCADQQQSA-N 0 1 311.426 1.499 10 0 DDAEMN CCOC1CC(CC(=O)N2CCN(CCOC)[C@@H](CC)C2)C1 ZINC000191739216 697613254 /nfs/dbraw/zinc/61/32/54/697613254.db2.gz XMFTUBDDEORAKG-PCKAHOCUSA-N 0 1 312.454 1.761 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000262352862 698466037 /nfs/dbraw/zinc/46/60/37/698466037.db2.gz JIAQBSXAZRLUEI-GUTXKFCHSA-N 0 1 321.421 1.208 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c(C)noc2C(C)C)C1 ZINC000262720066 698478696 /nfs/dbraw/zinc/47/86/96/698478696.db2.gz PFZPAAWVTCXVRV-UHFFFAOYSA-N 0 1 323.393 1.774 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC000263202766 698496001 /nfs/dbraw/zinc/49/60/01/698496001.db2.gz VIPPPKMAJMKMKP-LRVUVFPRSA-N 0 1 306.406 1.787 10 0 DDAEMN CC(C)(C)S(=O)(=O)CCCN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000718784850 699295347 /nfs/dbraw/zinc/29/53/47/699295347.db2.gz IIZPATSHEDNAAO-MELADBBJSA-N 0 1 303.468 1.683 10 0 DDAEMN Cc1n[nH]cc1CN1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818188110 702601352 /nfs/dbraw/zinc/60/13/52/702601352.db2.gz MDIWUKAUBLYYOX-INIZCTEOSA-N 0 1 317.393 1.548 10 0 DDAEMN O=C(C/C=C\c1ccc(F)cc1)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000886038058 708686892 /nfs/dbraw/zinc/68/68/92/708686892.db2.gz BEQYOIJAMGROSQ-AIMAZDRCSA-N 0 1 316.336 1.467 10 0 DDAEMN CCN1C(=O)N=NC1[C@@H]1C[C@@H](O)[C@@H](CNc2ncccc2F)C1 ZINC000888097917 709213188 /nfs/dbraw/zinc/21/31/88/709213188.db2.gz SZQBREAUXZDUGZ-HOSYDEDBSA-N 0 1 321.356 1.504 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000900902472 709819930 /nfs/dbraw/zinc/81/99/30/709819930.db2.gz XLDHPNZERVHWKB-STQMWFEESA-N 0 1 316.405 1.758 10 0 DDAEMN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900902472 709819935 /nfs/dbraw/zinc/81/99/35/709819935.db2.gz XLDHPNZERVHWKB-STQMWFEESA-N 0 1 316.405 1.758 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900902472 709819941 /nfs/dbraw/zinc/81/99/41/709819941.db2.gz XLDHPNZERVHWKB-STQMWFEESA-N 0 1 316.405 1.758 10 0 DDAEMN CCCCOC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000248653816 282096997 /nfs/dbraw/zinc/09/69/97/282096997.db2.gz OUYRZDGQYHVHBB-HOCLYGCPSA-N 0 1 324.421 1.538 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000248653816 282097002 /nfs/dbraw/zinc/09/70/02/282097002.db2.gz OUYRZDGQYHVHBB-HOCLYGCPSA-N 0 1 324.421 1.538 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134480359 282098846 /nfs/dbraw/zinc/09/88/46/282098846.db2.gz HUIVHPXRTQFOFJ-MFKMUULPSA-N 0 1 300.366 1.381 10 0 DDAEMN CCN(CC)CCn1cc(N[C@@H](C)CS(C)(=O)=O)cn1 ZINC000081900686 192335105 /nfs/dbraw/zinc/33/51/05/192335105.db2.gz ICKBFFAQRYMWAH-LBPRGKRZSA-N 0 1 302.444 1.070 10 0 DDAEMN COc1ccc(CN(C)C)cc1N[C@H](C)CS(C)(=O)=O ZINC000081899671 192336001 /nfs/dbraw/zinc/33/60/01/192336001.db2.gz GUYLQODQFGAENX-LLVKDONJSA-N 0 1 300.424 1.602 10 0 DDAEMN CC[C@@H](C)S(=O)(=O)C[C@H](N)c1ccc(OC)c(OC)c1 ZINC000081938101 192342766 /nfs/dbraw/zinc/34/27/66/192342766.db2.gz WEFVAFIAAPFGTR-PWSUYJOCSA-N 0 1 301.408 1.917 10 0 DDAEMN Cc1nnc(C(=O)NCc2ccc(Br)s2)[nH]1 ZINC000087447460 185225323 /nfs/dbraw/zinc/22/53/23/185225323.db2.gz GOEFSZOCIDMVNH-UHFFFAOYSA-N 0 1 301.169 1.867 10 0 DDAEMN Cc1nc([C@H]2CCCCN2S(=O)(=O)N2CC[C@@H](C)C2)n[nH]1 ZINC000328738319 231324645 /nfs/dbraw/zinc/32/46/45/231324645.db2.gz MCJLSFFLATYQBJ-ZYHUDNBSSA-N 0 1 313.427 1.227 10 0 DDAEMN Cc1nn(Cc2nnc(NN)s2)c(C)c1Br ZINC000087693828 185230522 /nfs/dbraw/zinc/23/05/22/185230522.db2.gz RZJZCUUBVSZCFQ-UHFFFAOYSA-N 0 1 303.189 1.448 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1C[C@H]1CCC(=O)N1 ZINC000087837694 185233066 /nfs/dbraw/zinc/23/30/66/185233066.db2.gz GCRPMEJWNKYBRI-MRVPVSSYSA-N 0 1 309.167 1.660 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)cc1 ZINC000081974908 192348246 /nfs/dbraw/zinc/34/82/46/192348246.db2.gz CAMDTOJUJFECMQ-CQSZACIVSA-N 0 1 313.419 1.624 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cnc4ccccn34)CCO2)n[nH]1 ZINC000177338411 539230448 /nfs/dbraw/zinc/23/04/48/539230448.db2.gz HSWNPVBIWQPUPN-ZDUSSCGKSA-N 0 1 312.377 1.588 10 0 DDAEMN CC[C@H](C)N1CCN(S(=O)(=O)c2ccc(CNC)o2)CC1 ZINC000088544476 185257225 /nfs/dbraw/zinc/25/72/25/185257225.db2.gz BSHZMVDTMSIHEZ-LBPRGKRZSA-N 0 1 315.439 1.104 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)o1 ZINC000088544471 185257244 /nfs/dbraw/zinc/25/72/44/185257244.db2.gz JMADSTKULRZBPM-UHFFFAOYSA-N 0 1 312.366 1.959 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3coc(C4CCC4)n3)CCO2)n[nH]1 ZINC000192648483 539260307 /nfs/dbraw/zinc/26/03/07/539260307.db2.gz SGYBHLQLVMKMQU-GFCCVEGCSA-N 0 1 317.349 1.582 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1ccncc1Cl)N1CCNCC1 ZINC000088782490 185265699 /nfs/dbraw/zinc/26/56/99/185265699.db2.gz BGVAEMNPGPAYDQ-AWEZNQCLSA-N 0 1 308.813 1.131 10 0 DDAEMN Nc1nc2cc(Br)ccc2n1[C@H]1CCC(=O)NC1=O ZINC000090018254 185278463 /nfs/dbraw/zinc/27/84/63/185278463.db2.gz IWABAGOAZAWJOO-VIFPVBQESA-N 0 1 323.150 1.359 10 0 DDAEMN Cc1cn2c(CN[C@@H]3CCC(=O)N(C)C3=O)c(C)nc2s1 ZINC000090023865 185278749 /nfs/dbraw/zinc/27/87/49/185278749.db2.gz VKDAFSIJTIFEHL-SNVBAGLBSA-N 0 1 306.391 1.250 10 0 DDAEMN COCCC[S@](=O)C[C@@H](N)c1ccc(OC)cc1OC ZINC000081998143 192352461 /nfs/dbraw/zinc/35/24/61/192352461.db2.gz ANIRVTKGNUEVSV-ZUOKHONESA-N 0 1 301.408 1.489 10 0 DDAEMN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1csc(CN)c1 ZINC000092344047 185313186 /nfs/dbraw/zinc/31/31/86/185313186.db2.gz UCYNADKUYNOZDO-QMMMGPOBSA-N 0 1 315.420 1.851 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092444093 185318865 /nfs/dbraw/zinc/31/88/65/185318865.db2.gz CANPMOSDSALULO-SECBINFHSA-N 0 1 311.304 1.129 10 0 DDAEMN Cc1ccnc2c1nc(SCC(=O)[O-])n2[C@@H]1CC[N@H+](C)C1 ZINC000092549820 185325570 /nfs/dbraw/zinc/32/55/70/185325570.db2.gz KOKGZURUPBDTHN-SNVBAGLBSA-N 0 1 306.391 1.793 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)C(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092661435 185331829 /nfs/dbraw/zinc/33/18/29/185331829.db2.gz MLZRATLEGNBLNW-SECBINFHSA-N 0 1 311.304 1.081 10 0 DDAEMN CCNc1ccccc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092672302 185333024 /nfs/dbraw/zinc/33/30/24/185333024.db2.gz QJTVZFNRCHXDGP-CYBMUJFWSA-N 0 1 311.451 1.833 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)cs1 ZINC000092622718 185329949 /nfs/dbraw/zinc/32/99/49/185329949.db2.gz GAIAFHWGBNYEIQ-LLVKDONJSA-N 0 1 303.453 1.435 10 0 DDAEMN O=C(Nc1ccccc1Br)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092779558 185340106 /nfs/dbraw/zinc/34/01/06/185340106.db2.gz FRPGCRSRPSFMDA-NSHDSACASA-N 0 1 321.178 1.825 10 0 DDAEMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000092924526 185349414 /nfs/dbraw/zinc/34/94/14/185349414.db2.gz VOGAGOITSRHQEK-PWSUYJOCSA-N 0 1 308.403 1.428 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1c[nH]nn1 ZINC000616647320 362767094 /nfs/dbraw/zinc/76/70/94/362767094.db2.gz FGJUYYUQWIBHQQ-LBPRGKRZSA-N 0 1 311.386 1.093 10 0 DDAEMN O=S(=O)(c1ccccc1NCCc1nc[nH]n1)C(F)(F)F ZINC000080590149 192169891 /nfs/dbraw/zinc/16/98/91/192169891.db2.gz GNEDGERVHYVGTC-UHFFFAOYSA-N 0 1 320.296 1.753 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000183877912 186226676 /nfs/dbraw/zinc/22/66/76/186226676.db2.gz RKYYFFFYTBSEPE-HNNXBMFYSA-N 0 1 319.430 1.802 10 0 DDAEMN O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172399160 198091195 /nfs/dbraw/zinc/09/11/95/198091195.db2.gz CXXLIWSIBOHJSG-LLVKDONJSA-N 0 1 300.366 1.431 10 0 DDAEMN COC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000172617534 198125962 /nfs/dbraw/zinc/12/59/62/198125962.db2.gz AONAGCZVSWYLNV-HOTGVXAUSA-N 0 1 306.406 1.033 10 0 DDAEMN CCn1cc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000173853439 198261392 /nfs/dbraw/zinc/26/13/92/198261392.db2.gz BQNCLATVOAXCGO-CQSZACIVSA-N 0 1 316.409 1.230 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000174091778 198290270 /nfs/dbraw/zinc/29/02/70/198290270.db2.gz ZUAHAQPPSAWJKB-HNNXBMFYSA-N 0 1 314.433 1.827 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCN1C[C@@H](C)O ZINC000174595785 198356835 /nfs/dbraw/zinc/35/68/35/198356835.db2.gz JLSVRJDKMKDDAY-IIAWOOMASA-N 0 1 318.417 1.466 10 0 DDAEMN COc1cccc(OC)c1CN1CC[C@@H](NC(C)=O)[C@@H](CO)C1 ZINC000075876348 353383320 /nfs/dbraw/zinc/38/33/20/353383320.db2.gz BMQWQMKUTBISLG-UKRRQHHQSA-N 0 1 322.405 1.023 10 0 DDAEMN Cc1ccc(S(=O)(=O)CCCN2CCN3CCC[C@@H]3C2)cc1 ZINC000180623931 199186850 /nfs/dbraw/zinc/18/68/50/199186850.db2.gz VCZVXPJCIAXTOO-MRXNPFEDSA-N 0 1 322.474 1.939 10 0 DDAEMN Cc1nn(CCO)c2ncc(C(=O)c3cc(F)ccc3O)cc12 ZINC000005938929 181298320 /nfs/dbraw/zinc/29/83/20/181298320.db2.gz GEGTVUGVEXVHBJ-UHFFFAOYSA-N 0 1 315.304 1.808 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCOCC(F)F ZINC000188736565 200297191 /nfs/dbraw/zinc/29/71/91/200297191.db2.gz JGNFZTICXNZRJU-ZDUSSCGKSA-N 0 1 300.349 1.557 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)Nc3nncs3)CC2)CCO1 ZINC000193436018 201051781 /nfs/dbraw/zinc/05/17/81/201051781.db2.gz TYQTWURUUSEEPC-JTQLQIEISA-N 0 1 311.411 1.255 10 0 DDAEMN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193462125 201055283 /nfs/dbraw/zinc/05/52/83/201055283.db2.gz OGMLYQJVHJHAEW-LDYMZIIASA-N 0 1 306.790 1.898 10 0 DDAEMN CC(C)N[C@](CS[C@@H](C)CCO)(C(N)=O)c1ccccc1 ZINC000091267218 193028299 /nfs/dbraw/zinc/02/82/99/193028299.db2.gz ZDLCDCSYRJCBOY-BBRMVZONSA-N 0 1 310.463 1.869 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Br)nc1 ZINC000091447012 193057084 /nfs/dbraw/zinc/05/70/84/193057084.db2.gz QAPBLLGQJIHYMK-LLVKDONJSA-N 0 1 310.195 1.668 10 0 DDAEMN O=C(C[C@@H]1COCCN1)Nc1nc(CN2CCCCC2)cs1 ZINC000262359952 203272994 /nfs/dbraw/zinc/27/29/94/203272994.db2.gz KEXRBDLRYPINEY-GFCCVEGCSA-N 0 1 324.450 1.446 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)NC[C@@H]1CCCCN1C ZINC000093648655 193283486 /nfs/dbraw/zinc/28/34/86/193283486.db2.gz LZXLCUZRXZYNPA-AWEZNQCLSA-N 0 1 311.451 1.648 10 0 DDAEMN CCOC(=O)[C@]1(NC2CC2)CC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC000093851943 193318657 /nfs/dbraw/zinc/31/86/57/193318657.db2.gz KCCLAFGKBIHHBY-RISCZKNCSA-N 0 1 310.423 1.812 10 0 DDAEMN COc1ccc2nc(S[C@@H]3CC[C@@]([NH3+])(C(=O)[O-])C3)[nH]c2c1 ZINC000093850571 193318817 /nfs/dbraw/zinc/31/88/17/193318817.db2.gz QEVZFNNUZRORBN-OTYXRUKQSA-N 0 1 307.375 1.998 10 0 DDAEMN Cc1nc([C@@H]2CN(C(C)C)CCO2)[nH]c(=O)c1Br ZINC000093923513 193328319 /nfs/dbraw/zinc/32/83/19/193328319.db2.gz FGHPERDAXFSHKM-VIFPVBQESA-N 0 1 316.199 1.623 10 0 DDAEMN O=C1NCCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000093982200 193333528 /nfs/dbraw/zinc/33/35/28/193333528.db2.gz HBLNIDPZYUNENF-LLVKDONJSA-N 0 1 301.159 1.956 10 0 DDAEMN CN1CCC[C@@H](NC(=O)c2ccc(Br)cc2N)C1 ZINC000094045054 193341034 /nfs/dbraw/zinc/34/10/34/193341034.db2.gz ZLAFFGYIWLOLCW-SNVBAGLBSA-N 0 1 312.211 1.855 10 0 DDAEMN CC(C)C[N@H+]1CCO[C@H](CN[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094229290 193352560 /nfs/dbraw/zinc/35/25/60/193352560.db2.gz KSLCBDFMOUDGPG-PWSUYJOCSA-N 0 1 312.332 1.338 10 0 DDAEMN CN(C)[C@H](CNC(=O)[C@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236638 193353336 /nfs/dbraw/zinc/35/33/36/193353336.db2.gz GTLILSWSBMFNKG-KCJUWKMLSA-N 0 1 309.357 1.747 10 0 DDAEMN CCCN1CCC(O)([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094639139 193387781 /nfs/dbraw/zinc/38/77/81/193387781.db2.gz TWJQOAIYSGEQHK-KGLIPLIRSA-N 0 1 303.468 1.827 10 0 DDAEMN CC(C)NCc1cn([C@H]2CCC[C@H](S(C)(=O)=O)C2)nn1 ZINC000094645168 193389703 /nfs/dbraw/zinc/38/97/03/193389703.db2.gz GBHXOEAGLQTLAW-STQMWFEESA-N 0 1 300.428 1.304 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000094779925 193397385 /nfs/dbraw/zinc/39/73/85/193397385.db2.gz AKQLPMDTOOBXHO-NSHDSACASA-N 0 1 315.414 1.431 10 0 DDAEMN COC(=O)[C@H](c1ccccc1F)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245453826 284305509 /nfs/dbraw/zinc/30/55/09/284305509.db2.gz RLNALUWIAAHCGI-XEZPLFJOSA-N 0 1 324.396 1.427 10 0 DDAEMN Cc1c(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(N)nn1C ZINC000097830009 193762085 /nfs/dbraw/zinc/76/20/85/193762085.db2.gz OJUYOPJAFKADLN-UHFFFAOYSA-N 0 1 320.296 1.529 10 0 DDAEMN CCS(=O)(=O)N1CCN(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000038554245 183002318 /nfs/dbraw/zinc/00/23/18/183002318.db2.gz PSPSBZNLUMDAAT-UHFFFAOYSA-N 0 1 308.407 1.343 10 0 DDAEMN CN1CCN(CCNc2ncc(Br)cc2N)CC1 ZINC000040713846 183121661 /nfs/dbraw/zinc/12/16/61/183121661.db2.gz PUTWMQNUKSWGIJ-UHFFFAOYSA-N 0 1 314.231 1.086 10 0 DDAEMN COc1cc(OC)c([C@@H](N)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000043300086 183352369 /nfs/dbraw/zinc/35/23/69/183352369.db2.gz NJYNOZFTRVHQNS-OTYXRUKQSA-N 0 1 315.391 1.147 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2nc(-c3ccsc3)no2)C[C@H]1C ZINC000105822906 194137510 /nfs/dbraw/zinc/13/75/10/194137510.db2.gz IEFIZUXGZAFLBV-VXGBXAGGSA-N 0 1 322.434 1.685 10 0 DDAEMN Cc1ccc(N2CCCN(CCOCC(F)(F)F)CC2)nn1 ZINC000105801696 194131647 /nfs/dbraw/zinc/13/16/47/194131647.db2.gz PDLBVXKEGDZWSF-UHFFFAOYSA-N 0 1 318.343 1.876 10 0 DDAEMN C[C@@H](C(=O)NC(C)(C)C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806606 194133460 /nfs/dbraw/zinc/13/34/60/194133460.db2.gz UEFWDQJRORJDID-ZDUSSCGKSA-N 0 1 319.453 1.680 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2nccs2)CCN1CCOC ZINC000105836628 194142568 /nfs/dbraw/zinc/14/25/68/194142568.db2.gz NMJRZRRYDLORBA-LBPRGKRZSA-N 0 1 312.439 1.124 10 0 DDAEMN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](N(C)C)C3)ccc2O1 ZINC000106229638 194191076 /nfs/dbraw/zinc/19/10/76/194191076.db2.gz XGRDPUFAFKKECQ-YPMHNXCESA-N 0 1 310.419 1.335 10 0 DDAEMN C[C@@H](CN1CCCC1)NS(=O)(=O)c1cccnc1Cl ZINC000048552846 183665518 /nfs/dbraw/zinc/66/55/18/183665518.db2.gz KJECQWPXAJVICX-JTQLQIEISA-N 0 1 303.815 1.498 10 0 DDAEMN CCCOCCC(=O)N1CCN([C@H](CC)C(N)=S)CC1 ZINC000109462071 194266095 /nfs/dbraw/zinc/26/60/95/194266095.db2.gz LFVACCUJEKSYLW-GFCCVEGCSA-N 0 1 301.456 1.012 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000109460523 194266106 /nfs/dbraw/zinc/26/61/06/194266106.db2.gz DUFUGOJEHRHWAT-AWEZNQCLSA-N 0 1 305.447 1.818 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2ncnc3ccsc32)CC1 ZINC000109471166 194266693 /nfs/dbraw/zinc/26/66/93/194266693.db2.gz WKDTZXVXSSBTGB-VIFPVBQESA-N 0 1 307.448 1.488 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109471131 194266723 /nfs/dbraw/zinc/26/67/23/194266723.db2.gz ACOLLADWMVHJIY-SECBINFHSA-N 0 1 318.368 1.897 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109471129 194267060 /nfs/dbraw/zinc/26/70/60/194267060.db2.gz ACOLLADWMVHJIY-VIFPVBQESA-N 0 1 318.368 1.897 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(c2ncnc3ccsc32)CC1 ZINC000109471805 194267305 /nfs/dbraw/zinc/26/73/05/194267305.db2.gz CLGXYIHVXBAWEO-UHFFFAOYSA-N 0 1 321.475 1.878 10 0 DDAEMN C[C@H](CCNC(=O)[C@@H](N)CCS(C)(=O)=O)c1ccccc1 ZINC000061911029 184194563 /nfs/dbraw/zinc/19/45/63/184194563.db2.gz PUTYSDUCDDCHJB-OCCSQVGLSA-N 0 1 312.435 1.058 10 0 DDAEMN CCCNc1ccccc1S(=O)(=O)NCCN(C)C1CC1 ZINC000062011814 184201404 /nfs/dbraw/zinc/20/14/04/184201404.db2.gz DMNJJPMJUOVULI-UHFFFAOYSA-N 0 1 311.451 1.881 10 0 DDAEMN CNS(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000062362043 184233218 /nfs/dbraw/zinc/23/32/18/184233218.db2.gz VNSHBLJZUFKDPK-OAHLLOKOSA-N 0 1 311.451 1.576 10 0 DDAEMN Nc1cccc(F)c1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062975724 184264316 /nfs/dbraw/zinc/26/43/16/184264316.db2.gz JPRSIZQILIABEC-LLVKDONJSA-N 0 1 313.398 1.267 10 0 DDAEMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000065164223 184313141 /nfs/dbraw/zinc/31/31/41/184313141.db2.gz RQICTLRLCKARLK-UHFFFAOYSA-N 0 1 300.318 1.787 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000157912336 197226434 /nfs/dbraw/zinc/22/64/34/197226434.db2.gz LGEUHNYIQVXTCF-CQSZACIVSA-N 0 1 302.382 1.994 10 0 DDAEMN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000121671015 195327191 /nfs/dbraw/zinc/32/71/91/195327191.db2.gz FMZLBFKVGOVDPT-MNOVXSKESA-N 0 1 306.332 1.962 10 0 DDAEMN CCOCCN1CCN(C(=O)/C=C\c2ccc[nH]2)C[C@@H]1CC ZINC000491970936 286082635 /nfs/dbraw/zinc/08/26/35/286082635.db2.gz FHQGFQMWBMMIQC-PTZVLDCSSA-N 0 1 305.422 1.987 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000075979174 406948489 /nfs/dbraw/zinc/94/84/89/406948489.db2.gz DTCZBZCVDBTGDW-WBVHZDCISA-N 0 1 316.449 1.906 10 0 DDAEMN C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCO1 ZINC000048840512 407108187 /nfs/dbraw/zinc/10/81/87/407108187.db2.gz PLKPTGWXJJGPCA-HQJQHLMTSA-N 0 1 309.309 1.950 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2c(F)cccc2F)C1 ZINC000048841560 407109750 /nfs/dbraw/zinc/10/97/50/407109750.db2.gz BFOVBXZSKMVJHC-JTQLQIEISA-N 0 1 304.362 1.727 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000105825266 407355792 /nfs/dbraw/zinc/35/57/92/407355792.db2.gz KEVPKJKOSJPMNP-CVEARBPZSA-N 0 1 311.470 1.166 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCCCCC2)CCN1C[C@@H](C)O ZINC000105825266 407355793 /nfs/dbraw/zinc/35/57/93/407355793.db2.gz KEVPKJKOSJPMNP-CVEARBPZSA-N 0 1 311.470 1.166 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cc(F)ccc1F ZINC000105932576 407358290 /nfs/dbraw/zinc/35/82/90/407358290.db2.gz DZEGMBPWZGOFNN-JQWIXIFHSA-N 0 1 313.348 1.212 10 0 DDAEMN COC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000106915917 407366285 /nfs/dbraw/zinc/36/62/85/407366285.db2.gz CYFVIWBNNMNJSJ-HOTGVXAUSA-N 0 1 318.417 1.571 10 0 DDAEMN CN(C)C[C@@H](NC(=O)C(=O)Nc1cccnc1)c1ccccc1 ZINC000125072302 407377725 /nfs/dbraw/zinc/37/77/25/407377725.db2.gz ANGOHPATBCZXKG-OAHLLOKOSA-N 0 1 312.373 1.439 10 0 DDAEMN Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO ZINC000257176844 407481930 /nfs/dbraw/zinc/48/19/30/407481930.db2.gz ARKNYDTWHIZFLN-JKSUJKDBSA-N 0 1 313.401 1.248 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1ccccc1 ZINC000113267817 407485286 /nfs/dbraw/zinc/48/52/86/407485286.db2.gz ZELUDRVHOSPPIM-LSDHHAIUSA-N 0 1 308.447 1.629 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000113305895 407494686 /nfs/dbraw/zinc/49/46/86/407494686.db2.gz WGXDSYIHGRVPDA-CMPLNLGQSA-N 0 1 316.373 1.822 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2F)C1 ZINC000185585570 407456925 /nfs/dbraw/zinc/45/69/25/407456925.db2.gz AFYGNWDWANVYSC-LBPRGKRZSA-N 0 1 307.369 1.673 10 0 DDAEMN CCOC(=O)N1CC[C@@H](NC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000185922460 407538986 /nfs/dbraw/zinc/53/89/86/407538986.db2.gz AXIQYHBXCHEZBZ-ZIAGYGMSSA-N 0 1 324.425 1.097 10 0 DDAEMN CCN(CC(=O)N1CCC(N(C)c2cccnn2)CC1)C1CC1 ZINC000152267011 407598721 /nfs/dbraw/zinc/59/87/21/407598721.db2.gz VWLDBRSEVHYIBW-UHFFFAOYSA-N 0 1 317.437 1.388 10 0 DDAEMN CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000186454752 407670642 /nfs/dbraw/zinc/67/06/42/407670642.db2.gz LZQMVHPWHLMLEV-UONOGXRCSA-N 0 1 307.394 1.351 10 0 DDAEMN Cc1ccc(C)c(CC(=O)N2CCC([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000186621491 407720575 /nfs/dbraw/zinc/72/05/75/407720575.db2.gz VGWUITDNXJFBBJ-UHFFFAOYSA-N 0 1 318.417 1.853 10 0 DDAEMN Cn1cc([C@H]2CC[N@H+](Cc3nc(=O)c4sccc4[n-]3)C2)cn1 ZINC000116311558 407742232 /nfs/dbraw/zinc/74/22/32/407742232.db2.gz IOQQCDFABXPQFS-JTQLQIEISA-N 0 1 315.402 1.708 10 0 DDAEMN Cn1cc([C@H]2CC[N@@H+](Cc3nc(=O)c4sccc4[n-]3)C2)cn1 ZINC000116311558 407742236 /nfs/dbraw/zinc/74/22/36/407742236.db2.gz IOQQCDFABXPQFS-JTQLQIEISA-N 0 1 315.402 1.708 10 0 DDAEMN Cn1cc([C@H]2CCN(CC(=O)N3CCc4ccccc43)C2)cn1 ZINC000116316839 407742953 /nfs/dbraw/zinc/74/29/53/407742953.db2.gz CZEPEHUONROUJK-HNNXBMFYSA-N 0 1 310.401 1.799 10 0 DDAEMN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN2CCC[C@@H]2C1 ZINC000171771164 407765631 /nfs/dbraw/zinc/76/56/31/407765631.db2.gz RIOJFQFKEHLULL-OAHLLOKOSA-N 0 1 306.431 1.644 10 0 DDAEMN CC(C)[C@@H](O)CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179339138 407770671 /nfs/dbraw/zinc/77/06/71/407770671.db2.gz ABNNIZNMEKWOSE-OLZOCXBDSA-N 0 1 306.410 1.795 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000262242579 407771955 /nfs/dbraw/zinc/77/19/55/407771955.db2.gz HVYLVPYYGQHUTO-OAHLLOKOSA-N 0 1 301.346 1.573 10 0 DDAEMN COC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238025 407773182 /nfs/dbraw/zinc/77/31/82/407773182.db2.gz HNBPWPNCRMONRX-QWHCGFSZSA-N 0 1 316.760 1.353 10 0 DDAEMN CC[C@H](NC(=O)[C@H](N)COC)c1nc(C(F)(F)F)cs1 ZINC000262214690 407767873 /nfs/dbraw/zinc/76/78/73/407767873.db2.gz FFIVLIBBRMIOFU-RQJHMYQMSA-N 0 1 311.329 1.703 10 0 DDAEMN O=C(c1cnc([C@H]2CCCO2)s1)N1CCN2CCC[C@@H]2C1 ZINC000179400209 407782572 /nfs/dbraw/zinc/78/25/72/407782572.db2.gz AQEYDXYDYCAQGS-VXGBXAGGSA-N 0 1 307.419 1.915 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3C)CCO2)n[nH]1 ZINC000153223866 407779487 /nfs/dbraw/zinc/77/94/87/407779487.db2.gz PYPWMGXALMTHLJ-ZDUSSCGKSA-N 0 1 304.325 1.774 10 0 DDAEMN C[C@@H](NC(=O)C[C@H]1COCCN1)c1cccc(-n2ccnc2)c1 ZINC000262304641 407791299 /nfs/dbraw/zinc/79/12/99/407791299.db2.gz CCLRFGTWPCGKBJ-HIFRSBDPSA-N 0 1 314.389 1.428 10 0 DDAEMN COC[C@@H](N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C1CC1 ZINC000179814388 407835451 /nfs/dbraw/zinc/83/54/51/407835451.db2.gz HJHAJVBLINIILR-VXGBXAGGSA-N 0 1 320.397 1.957 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187844558 407896819 /nfs/dbraw/zinc/89/68/19/407896819.db2.gz ROKAQFAPFXVWBR-OAHLLOKOSA-N 0 1 315.373 1.168 10 0 DDAEMN CSCCCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262686374 407901568 /nfs/dbraw/zinc/90/15/68/407901568.db2.gz CNLZVOLOEOLKET-UHFFFAOYSA-N 0 1 314.451 1.573 10 0 DDAEMN CCc1ocnc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262729316 407911063 /nfs/dbraw/zinc/91/10/63/407911063.db2.gz UFMNTAMRQCXNNE-UHFFFAOYSA-N 0 1 321.377 1.294 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc3n[nH]cc32)C1 ZINC000262842438 407953154 /nfs/dbraw/zinc/95/31/54/407953154.db2.gz UWNQXFFURIJTRP-UHFFFAOYSA-N 0 1 316.361 1.230 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000118856724 407955753 /nfs/dbraw/zinc/95/57/53/407955753.db2.gz OSIRTTKMAOUSHR-HOTGVXAUSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc2c1CCCCC2 ZINC000188131849 407918598 /nfs/dbraw/zinc/91/85/98/407918598.db2.gz OLURTIFAXZIDAW-CYBMUJFWSA-N 0 1 314.393 1.843 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000174292416 407930142 /nfs/dbraw/zinc/93/01/42/407930142.db2.gz RDNXRGGXWPJLRX-HUUCEWRRSA-N 0 1 316.445 1.631 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@@H](C)c2cccnc2)CCN1CCOC ZINC000174957971 408017719 /nfs/dbraw/zinc/01/77/19/408017719.db2.gz VZWMRMUAHOJDCL-HOCLYGCPSA-N 0 1 305.422 1.754 10 0 DDAEMN CCN(C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)[C@H](C)C(C)C ZINC000263376446 408121818 /nfs/dbraw/zinc/12/18/18/408121818.db2.gz BYHWWFDAZCXMFQ-IYXRBSQSSA-N 0 1 313.442 2.000 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C2CC2)C2CCC2)C1 ZINC000263391621 408127494 /nfs/dbraw/zinc/12/74/94/408127494.db2.gz QNHJSFSARRHKKC-XUJLQICISA-N 0 1 323.437 1.802 10 0 DDAEMN CC1(C)[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)[C@@H]2CCO[C@@H]21 ZINC000120727295 408141310 /nfs/dbraw/zinc/14/13/10/408141310.db2.gz PAVSFMSFWSMRLV-BARDWOONSA-N 0 1 307.438 1.680 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CCN1C[C@H](C)O ZINC000246113256 408143128 /nfs/dbraw/zinc/14/31/28/408143128.db2.gz QETSXMYQTXZUIO-BFHYXJOUSA-N 0 1 320.437 1.133 10 0 DDAEMN c1cc(N2CCCC2)ncc1CN1CC[C@H](N2CCOCC2)C1 ZINC000121003507 408148567 /nfs/dbraw/zinc/14/85/67/408148567.db2.gz POIOBZPYZPGJQP-KRWDZBQOSA-N 0 1 316.449 1.588 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000263471735 408148955 /nfs/dbraw/zinc/14/89/55/408148955.db2.gz DROCJTDWVDYOPQ-BBWFWOEESA-N 0 1 318.417 1.507 10 0 DDAEMN CC[C@H]1CC[C@H](C)N1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263486859 408153458 /nfs/dbraw/zinc/15/34/58/408153458.db2.gz PQLGDSCEVAZCOV-AHPWVWPOSA-N 0 1 311.426 1.896 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCO[C@H](C)CC(C)C)CCO2)n[nH]1 ZINC000121299264 408179722 /nfs/dbraw/zinc/17/97/22/408179722.db2.gz DQNFIJNUHMUONA-OCCSQVGLSA-N 0 1 324.425 1.854 10 0 DDAEMN CC[C@H]1CN([C@@H](C(=O)OC)c2cccnc2)CCN1CCOC ZINC000246305877 408212388 /nfs/dbraw/zinc/21/23/88/408212388.db2.gz AVKGCEKENVNIAA-JKSUJKDBSA-N 0 1 321.421 1.338 10 0 DDAEMN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cncnc2)CC1 ZINC000190581317 408281785 /nfs/dbraw/zinc/28/17/85/408281785.db2.gz QQWWDHGKLMXGNB-UHFFFAOYSA-N 0 1 320.437 1.715 10 0 DDAEMN C[C@H]1CN(Cc2cn3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246557664 408292273 /nfs/dbraw/zinc/29/22/73/408292273.db2.gz UQPFPXGHRCGGDI-GOEBONIOSA-N 0 1 300.406 1.487 10 0 DDAEMN CCOC(=O)CCCCN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000132962976 162049796 /nfs/dbraw/zinc/04/97/96/162049796.db2.gz WMGDCAUMKJNOMU-ZDUSSCGKSA-N 0 1 324.425 1.790 10 0 DDAEMN O=C(CN1CC[C@@H](CNc2ccccn2)C1)NC1CCOCC1 ZINC000171138926 162206224 /nfs/dbraw/zinc/20/62/24/162206224.db2.gz GEJOHFLJRNEBCU-AWEZNQCLSA-N 0 1 318.421 1.111 10 0 DDAEMN CCC[C@@H](C)CS(=O)(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246902598 408364840 /nfs/dbraw/zinc/36/48/40/408364840.db2.gz HSXQAXSCKLRSAC-ZYHUDNBSSA-N 0 1 316.427 1.252 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)COc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173528726 162345828 /nfs/dbraw/zinc/34/58/28/162345828.db2.gz LLQJYSFAMSBZOZ-AWEZNQCLSA-N 0 1 316.361 1.400 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Cc3ccccc3)CCO2)n[nH]1 ZINC000173536550 162347195 /nfs/dbraw/zinc/34/71/95/162347195.db2.gz PYNZOMBDHVWBCU-IUODEOHRSA-N 0 1 314.389 1.892 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)COc3cccc(C)c3)CCO2)n[nH]1 ZINC000173547747 162347950 /nfs/dbraw/zinc/34/79/50/162347950.db2.gz LZHJFQTVNFDIST-AWEZNQCLSA-N 0 1 316.361 1.400 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc4cc[nH]c43)CCO2)n[nH]1 ZINC000173601469 162351465 /nfs/dbraw/zinc/35/14/65/162351465.db2.gz DGYZNGVAQNBBQR-ZDUSSCGKSA-N 0 1 311.345 1.808 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)Cc3ccccc3)CCO2)n[nH]1 ZINC000173665813 162356095 /nfs/dbraw/zinc/35/60/95/162356095.db2.gz IORZJGYTMSRECV-HUUCEWRRSA-N 0 1 302.378 1.090 10 0 DDAEMN CN(CC1CCCCC1)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173953468 162381060 /nfs/dbraw/zinc/38/10/60/162381060.db2.gz FJCXGKKJPRBCKW-QGZVFWFLSA-N 0 1 323.481 1.432 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247203272 408426435 /nfs/dbraw/zinc/42/64/35/408426435.db2.gz PBIXQPYFYYYMMJ-KGLIPLIRSA-N 0 1 321.421 1.021 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176741498 408429655 /nfs/dbraw/zinc/42/96/55/408429655.db2.gz IFKIVCIIVPQSCU-VHSXEESVSA-N 0 1 309.370 1.239 10 0 DDAEMN COc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c(OC)c1 ZINC000180104144 162749266 /nfs/dbraw/zinc/74/92/66/162749266.db2.gz OEKAUPYGJWQTJU-HNNXBMFYSA-N 0 1 318.377 1.704 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCCCOC)CCN1C[C@@H](C)O ZINC000184984239 408728908 /nfs/dbraw/zinc/72/89/08/408728908.db2.gz RNXDKESUIWQKKT-CABCVRRESA-N 0 1 315.458 1.290 10 0 DDAEMN Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)CCN1CCCC1 ZINC000192945100 408674785 /nfs/dbraw/zinc/67/47/85/408674785.db2.gz UBDCGZFQCKQDHA-HNNXBMFYSA-N 0 1 324.446 1.834 10 0 DDAEMN CC(C)N1CCC[C@H](N2CCCN(c3cccnn3)CC2)C1=O ZINC000177708268 408690286 /nfs/dbraw/zinc/69/02/86/408690286.db2.gz JIBFHGMRIKBRDL-HNNXBMFYSA-N 0 1 317.437 1.388 10 0 DDAEMN C[C@H](CN1C[C@@H](CO)[C@@H](c2ccsc2)C1)CS(C)(=O)=O ZINC000249590812 408747658 /nfs/dbraw/zinc/74/76/58/408747658.db2.gz VJCVVZDXJCRILT-KWCYVHTRSA-N 0 1 317.476 1.437 10 0 DDAEMN CC(C)C(=O)N1CCC(C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000195065482 163305353 /nfs/dbraw/zinc/30/53/53/163305353.db2.gz CUUDYCDMWSPYJA-INIZCTEOSA-N 0 1 321.465 1.578 10 0 DDAEMN CCCCOC[C@H](O)CN1CCCN(C(=O)OCC)CC1 ZINC000195173633 163310096 /nfs/dbraw/zinc/31/00/96/163310096.db2.gz HAFHETFLQUGSIX-CQSZACIVSA-N 0 1 302.415 1.328 10 0 DDAEMN O=C(CC1CCCCC1)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195368719 163318257 /nfs/dbraw/zinc/31/82/57/163318257.db2.gz XIILAQISXYUNQO-MRXNPFEDSA-N 0 1 321.465 1.770 10 0 DDAEMN CC1(C)CN(C[C@@H](O)COCc2ccccc2)C[C@@H](CO)O1 ZINC000309793078 164005251 /nfs/dbraw/zinc/00/52/51/164005251.db2.gz GEFIMRYOJZGDCL-CVEARBPZSA-N 0 1 309.406 1.036 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccccc1Cl ZINC000380767203 418728208 /nfs/dbraw/zinc/72/82/08/418728208.db2.gz PNCXTJSFOJJATF-GHMZBOCLSA-N 0 1 318.826 1.309 10 0 DDAEMN CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)C1CC1 ZINC000630657489 422246651 /nfs/dbraw/zinc/24/66/51/422246651.db2.gz MQAQFFAARQSDEN-CABCVRRESA-N 0 1 302.374 1.725 10 0 DDAEMN CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)C1CC1 ZINC000630657489 422246654 /nfs/dbraw/zinc/24/66/54/422246654.db2.gz MQAQFFAARQSDEN-CABCVRRESA-N 0 1 302.374 1.725 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@H](c2nc[nH]n2)C1 ZINC000616603677 422516316 /nfs/dbraw/zinc/51/63/16/422516316.db2.gz UIEKXESOYUIGAB-LBPRGKRZSA-N 0 1 306.391 1.763 10 0 DDAEMN CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)NC1CCCC1 ZINC000096112943 277006396 /nfs/dbraw/zinc/00/63/96/277006396.db2.gz DPPDVWYRJTZFKL-LSDHHAIUSA-N 0 1 309.454 1.670 10 0 DDAEMN CN1CCO[C@H]2CN(c3nn4cc(C(C)(C)C)nc4s3)C[C@@H]21 ZINC000301649499 277132414 /nfs/dbraw/zinc/13/24/14/277132414.db2.gz JCQLQUBCIIRKBS-QWRGUYRKSA-N 0 1 321.450 1.608 10 0 DDAEMN Cc1ccc(C)c(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000105933197 281051690 /nfs/dbraw/zinc/05/16/90/281051690.db2.gz KBQIRUZPJWBKDG-LSDHHAIUSA-N 0 1 305.422 1.551 10 0 DDAEMN CC[N@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000390034023 307293389 /nfs/dbraw/zinc/29/33/89/307293389.db2.gz ZTPSPAOJMXWEQO-SNVBAGLBSA-N 0 1 313.195 1.979 10 0 DDAEMN CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000390034023 307293390 /nfs/dbraw/zinc/29/33/90/307293390.db2.gz ZTPSPAOJMXWEQO-SNVBAGLBSA-N 0 1 313.195 1.979 10 0 DDAEMN O=C(c1coc(Br)c1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404070483 307297839 /nfs/dbraw/zinc/29/78/39/307297839.db2.gz LGJFSYJQMSCWHV-NXEZZACHSA-N 0 1 315.167 1.245 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1C1CC1 ZINC000663228924 484752999 /nfs/dbraw/zinc/75/29/99/484752999.db2.gz HYFAYMYNSUXYFR-CABCVRRESA-N 0 1 317.389 1.129 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1C1CC1 ZINC000663228924 484753004 /nfs/dbraw/zinc/75/30/04/484753004.db2.gz HYFAYMYNSUXYFR-CABCVRRESA-N 0 1 317.389 1.129 10 0 DDAEMN O=c1cc(CN2CCN(Cc3ccccc3F)CC2)cc[nH]1 ZINC000075552138 490591028 /nfs/dbraw/zinc/59/10/28/490591028.db2.gz NENFTXPLSXOPKV-UHFFFAOYSA-N 0 1 301.365 1.832 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000154703273 522032974 /nfs/dbraw/zinc/03/29/74/522032974.db2.gz CGIWKFLUGAXQIR-WMZOPIPTSA-N 0 1 302.418 1.798 10 0 DDAEMN CCN(CC)[C@@H](C)CNC(=O)N(CCS(C)(=O)=O)C(C)C ZINC000129723490 696791320 /nfs/dbraw/zinc/79/13/20/696791320.db2.gz LWLSIDINPGKOMH-ZDUSSCGKSA-N 0 1 321.487 1.181 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])c2cccs2)C1 ZINC000130055376 696793979 /nfs/dbraw/zinc/79/39/79/696793979.db2.gz IGFRNDRPLKITJO-JQWIXIFHSA-N 0 1 311.407 1.657 10 0 DDAEMN COCCN1[C@H](C)C[N@H+](C[C@](C)(O)c2ccccc2)C[C@@H]1C ZINC000130552196 696799186 /nfs/dbraw/zinc/79/91/86/696799186.db2.gz LXXDWSZQIDZXLE-JZXOWHBKSA-N 0 1 306.450 1.935 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091599 697384046 /nfs/dbraw/zinc/38/40/46/697384046.db2.gz OTEVHZCQUCIGSP-XJKSGUPXSA-N 0 1 314.376 1.387 10 0 DDAEMN C[C@@]1(C(=O)N[C@@H]2CN3CCC2CC3)CC(c2ccccc2)=NO1 ZINC000222582718 697757975 /nfs/dbraw/zinc/75/79/75/697757975.db2.gz YMMYBETXZIQRQD-AEFFLSMTSA-N 0 1 313.401 1.780 10 0 DDAEMN C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379617017 699059590 /nfs/dbraw/zinc/05/95/90/699059590.db2.gz MVYOTZMSHXCUBJ-HIFRSBDPSA-N 0 1 319.405 1.813 10 0 DDAEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)no1 ZINC000079427324 185171187 /nfs/dbraw/zinc/17/11/87/185171187.db2.gz GDWNHJIACBQGGL-LBPRGKRZSA-N 0 1 308.382 1.700 10 0 DDAEMN CCC[C@H](CNC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000087502367 185227332 /nfs/dbraw/zinc/22/73/32/185227332.db2.gz JYFXOWVOJJPHHV-CYBMUJFWSA-N 0 1 301.431 1.907 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000087545437 185228078 /nfs/dbraw/zinc/22/80/78/185228078.db2.gz JHVSEYLRMAXUAI-UHFFFAOYSA-N 0 1 319.308 1.950 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000081976332 192347568 /nfs/dbraw/zinc/34/75/68/192347568.db2.gz HBKUVBWAOGWQMV-ZDUSSCGKSA-N 0 1 313.419 1.572 10 0 DDAEMN CC[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087898248 185235799 /nfs/dbraw/zinc/23/57/99/185235799.db2.gz WULHNBBIFVAZDK-VIFPVBQESA-N 0 1 314.411 1.195 10 0 DDAEMN COC(=O)[C@H](CCN1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435416 185250376 /nfs/dbraw/zinc/25/03/76/185250376.db2.gz HPTVKFFIJBPBEM-LBPRGKRZSA-N 0 1 308.344 1.944 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CC[C@@H](COC)C2)o1 ZINC000088551386 185257307 /nfs/dbraw/zinc/25/73/07/185257307.db2.gz MTIJMQBRWCDPNA-LLVKDONJSA-N 0 1 302.396 1.046 10 0 DDAEMN COc1cc(Br)c([C@@H]2COC(=N)N2)cc1OC ZINC000088532387 185254927 /nfs/dbraw/zinc/25/49/27/185254927.db2.gz PCXRKRRKOUXPCH-QMMMGPOBSA-N 0 1 301.140 1.852 10 0 DDAEMN NCc1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)o1 ZINC000088542647 185256264 /nfs/dbraw/zinc/25/62/64/185256264.db2.gz IKOKGOSLRHIVLN-GFCCVEGCSA-N 0 1 308.359 1.020 10 0 DDAEMN Cc1cc(C)c2c(N)c(C(=O)N[C@@H]3CCN(C)C3)sc2n1 ZINC000088641679 185261134 /nfs/dbraw/zinc/26/11/34/185261134.db2.gz WAJLSHJCNNWVNR-SNVBAGLBSA-N 0 1 304.419 1.929 10 0 DDAEMN CCNc1ncc(Br)cc1C(=O)NCc1cnc[nH]1 ZINC000088752843 185263990 /nfs/dbraw/zinc/26/39/90/185263990.db2.gz AZPFECYVQOPFFF-UHFFFAOYSA-N 0 1 324.182 1.929 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCCO2)CCN1C[C@@H](C)O ZINC000248458745 539272042 /nfs/dbraw/zinc/27/20/42/539272042.db2.gz QPQYRYNYRCTBNB-KBUPBQIOSA-N 0 1 313.442 1.041 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(CO)s1 ZINC000088892498 185269768 /nfs/dbraw/zinc/26/97/68/185269768.db2.gz YIKDIZCSBNLGJU-UHFFFAOYSA-N 0 1 320.480 1.449 10 0 DDAEMN COc1ccc([C@@H](N)[C@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990160 192350748 /nfs/dbraw/zinc/35/07/48/192350748.db2.gz MVURSHUVWTXBOM-NHYWBVRUSA-N 0 1 313.419 1.677 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000253552342 282216956 /nfs/dbraw/zinc/21/69/56/282216956.db2.gz GYZZUZOUVPKLSL-SMDDNHRTSA-N 0 1 314.389 1.794 10 0 DDAEMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000253552342 282216958 /nfs/dbraw/zinc/21/69/58/282216958.db2.gz GYZZUZOUVPKLSL-SMDDNHRTSA-N 0 1 314.389 1.794 10 0 DDAEMN CC(C)[C@H](CO)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000092392127 185315588 /nfs/dbraw/zinc/31/55/88/185315588.db2.gz BZMHKIGZBIBNIT-STQMWFEESA-N 0 1 301.383 1.651 10 0 DDAEMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccc(CN)s1 ZINC000092339879 185313050 /nfs/dbraw/zinc/31/30/50/185313050.db2.gz YIIUHJHYCUEKSV-MRVPVSSYSA-N 0 1 315.420 1.851 10 0 DDAEMN CC(C)[N@@H+](C)CCn1c2ccncc2nc1SCC(=O)[O-] ZINC000092514959 185323576 /nfs/dbraw/zinc/32/35/76/185323576.db2.gz SXZLUJWTUAKRIQ-UHFFFAOYSA-N 0 1 308.407 1.948 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCSc2ccccc21 ZINC000092781438 185340042 /nfs/dbraw/zinc/34/00/42/185340042.db2.gz SSLOCKVGOIIVOH-LLVKDONJSA-N 0 1 300.387 1.563 10 0 DDAEMN CC(C)(C)c1csc(NC(=O)[C@@H]2Cc3nc[nH]c3CN2)n1 ZINC000092781714 185340294 /nfs/dbraw/zinc/34/02/94/185340294.db2.gz GJLIDBLPHVFNQG-VIFPVBQESA-N 0 1 305.407 1.817 10 0 DDAEMN C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780832 185340385 /nfs/dbraw/zinc/34/03/85/185340385.db2.gz VTURNMFDRWZNEY-BXKDBHETSA-N 0 1 302.403 1.631 10 0 DDAEMN COc1ccc2c(c1)[C@@H](N)[C@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859301 185347013 /nfs/dbraw/zinc/34/70/13/185347013.db2.gz DBWGFOANEJOQTE-HUUCEWRRSA-N 0 1 311.403 1.214 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(Cl)ccc2N)n[nH]1 ZINC000080511134 192163914 /nfs/dbraw/zinc/16/39/14/192163914.db2.gz POUPSJSUISOQGO-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN CCNCc1nnnn1Cc1cc(Br)cs1 ZINC000070600873 190908149 /nfs/dbraw/zinc/90/81/49/190908149.db2.gz ZWXXBPHWYKJJMD-UHFFFAOYSA-N 0 1 302.201 1.655 10 0 DDAEMN CC[C@@H](C)NC(=O)Cn1c2ccc(OC)cc2nc1[C@@H](C)N ZINC000071667929 191001348 /nfs/dbraw/zinc/00/13/48/191001348.db2.gz QYIYTLXHWQTDPU-GHMZBOCLSA-N 0 1 304.394 1.979 10 0 DDAEMN COc1ccc2c(c1)nc([C@@H](C)N)n2CC(=O)N1CCCC1 ZINC000071667922 191001983 /nfs/dbraw/zinc/00/19/83/191001983.db2.gz MGUNQFZTZUDZBY-LLVKDONJSA-N 0 1 302.378 1.687 10 0 DDAEMN C[C@H](N)c1nc(CC(=O)Nc2ccccc2C(N)=O)cs1 ZINC000071695560 191009143 /nfs/dbraw/zinc/00/91/43/191009143.db2.gz IHQDSQBDGRUKAV-QMMMGPOBSA-N 0 1 304.375 1.443 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000172805457 198151676 /nfs/dbraw/zinc/15/16/76/198151676.db2.gz PXQOFBLYRUMZHB-MRXNPFEDSA-N 0 1 305.397 1.612 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3ccc(C(=O)OC)o3)CCO2)n[nH]1 ZINC000173688319 198241067 /nfs/dbraw/zinc/24/10/67/198241067.db2.gz RKLOXKSPHVZGGV-GFCCVEGCSA-N 0 1 320.349 1.320 10 0 DDAEMN CC(C)OC(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173674570 198238908 /nfs/dbraw/zinc/23/89/08/198238908.db2.gz ILIUFBVKLSVTOW-QGZVFWFLSA-N 0 1 320.433 1.679 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccccc2F)CCN1C[C@@H](C)O ZINC000174640281 198363708 /nfs/dbraw/zinc/36/37/08/198363708.db2.gz QVBTUYIRHAQKST-KGLIPLIRSA-N 0 1 324.396 1.508 10 0 DDAEMN Nc1nc(-c2ccco2)c(I)c(=O)[nH]1 ZINC000003653746 181044091 /nfs/dbraw/zinc/04/40/91/181044091.db2.gz UFAYJIFWNGBGPT-UHFFFAOYSA-N 0 1 303.059 1.217 10 0 DDAEMN NS(=O)(=O)c1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1 ZINC000216507760 354312911 /nfs/dbraw/zinc/31/29/11/354312911.db2.gz KZXSSJFRTCWISC-UHFFFAOYSA-N 0 1 301.331 1.181 10 0 DDAEMN C[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000309844263 354475189 /nfs/dbraw/zinc/47/51/89/354475189.db2.gz RWCYVWAOXPNELP-WBVHZDCISA-N 0 1 307.390 1.751 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1CC[C@H]2OCCN[C@H]2C1 ZINC000403979123 354671507 /nfs/dbraw/zinc/67/15/07/354671507.db2.gz DMALRBKUUSNYJN-DLBZAZTESA-N 0 1 317.433 1.098 10 0 DDAEMN Cc1cnoc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000073402186 191311995 /nfs/dbraw/zinc/31/19/95/191311995.db2.gz CPRQQVZPAUABQL-UHFFFAOYSA-N 0 1 300.362 1.987 10 0 DDAEMN O[C@@H](CN1CCN(CC2=CCCOC2)CC1)c1ccccc1 ZINC000179504912 199047638 /nfs/dbraw/zinc/04/76/38/199047638.db2.gz PJPUQLNLBNQVRL-SFHVURJKSA-N 0 1 302.418 1.684 10 0 DDAEMN CN(Cc1cnc[nH]1)C[C@H](c1cccs1)N1CCOCC1 ZINC000179527758 199050808 /nfs/dbraw/zinc/05/08/08/199050808.db2.gz IRDRKYYTVSQQSG-CQSZACIVSA-N 0 1 306.435 1.977 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccsc2CN)cs1 ZINC000089011194 192696808 /nfs/dbraw/zinc/69/68/08/192696808.db2.gz SJKTXNLKHSCDSG-UHFFFAOYSA-N 0 1 317.461 1.792 10 0 DDAEMN CCc1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n[nH]1 ZINC000187720991 200149430 /nfs/dbraw/zinc/14/94/30/200149430.db2.gz JVZBTRNCCPMZHW-AAEUAGOBSA-N 0 1 305.403 1.882 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccncc2C)CCN1C[C@@H](C)O ZINC000188307771 200224932 /nfs/dbraw/zinc/22/49/32/200224932.db2.gz KKTQCVAOIXNGJX-GDBMZVCRSA-N 0 1 320.437 1.377 10 0 DDAEMN CSc1nc(C)c(CCC(=O)N2CCN[C@H](C)C2)c(C)n1 ZINC000189007509 200335064 /nfs/dbraw/zinc/33/50/64/200335064.db2.gz JTQCXXCCOUTWHA-SNVBAGLBSA-N 0 1 308.451 1.568 10 0 DDAEMN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193462152 201055623 /nfs/dbraw/zinc/05/56/23/201055623.db2.gz OGMLYQJVHJHAEW-KCJUWKMLSA-N 0 1 306.790 1.898 10 0 DDAEMN O=c1c2ccsc2[n-]c(=S)n1C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675650 193088849 /nfs/dbraw/zinc/08/88/49/193088849.db2.gz QAWFDDLOMZRESV-NXEZZACHSA-N 0 1 323.443 1.984 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091989374 193138288 /nfs/dbraw/zinc/13/82/88/193138288.db2.gz FKBZRRQURAOMNX-QWHCGFSZSA-N 0 1 312.483 1.521 10 0 DDAEMN C[C@H]1CCCN(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000091989389 193138828 /nfs/dbraw/zinc/13/88/28/193138828.db2.gz HAHKABKWNYSKDN-LBPRGKRZSA-N 0 1 312.483 1.521 10 0 DDAEMN Cn1nccc1CNCc1cnc2cnc(Br)cn12 ZINC000092050039 193148543 /nfs/dbraw/zinc/14/85/43/193148543.db2.gz SRNGPHLFRDQOKW-UHFFFAOYSA-N 0 1 321.182 1.515 10 0 DDAEMN CNC(=O)[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000092100103 193158433 /nfs/dbraw/zinc/15/84/33/193158433.db2.gz ULQHXOZQPAHLLO-HNNXBMFYSA-N 0 1 314.389 1.796 10 0 DDAEMN CC[N@@H+](CC(=O)[N-]C(=O)c1ccccc1Cl)CC(C)(C)O ZINC000092982211 193191958 /nfs/dbraw/zinc/19/19/58/193191958.db2.gz WFVWIGMKNABOHF-UHFFFAOYSA-N 0 1 312.797 1.689 10 0 DDAEMN Cc1nsc(NC(=O)c2csc([C@H](C)[NH3+])n2)c1C(=O)[O-] ZINC000093015176 193194840 /nfs/dbraw/zinc/19/48/40/193194840.db2.gz OTEQTTRBYYFCSI-BYPYZUCNSA-N 0 1 312.376 1.878 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N[C@H]2C=CS(=O)(=O)C2)C1 ZINC000093208827 193216038 /nfs/dbraw/zinc/21/60/38/193216038.db2.gz IBLOBEUWJLZWKB-TUAOUCFPSA-N 0 1 316.423 1.333 10 0 DDAEMN CS(=O)(=O)[C@H]1CSCCN1c1cccc(F)c1CN ZINC000093395556 193243560 /nfs/dbraw/zinc/24/35/60/193243560.db2.gz BJKRFIVHRPVVLV-LBPRGKRZSA-N 0 1 304.412 1.208 10 0 DDAEMN CC(C)(Cn1c(=O)c2ccccc2[nH]c1=S)S(C)(=O)=O ZINC000093524808 193264177 /nfs/dbraw/zinc/26/41/77/193264177.db2.gz RMMSALWYFVKPDS-UHFFFAOYSA-N 0 1 312.416 1.882 10 0 DDAEMN NC(=S)[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CCO1 ZINC000093934086 193329359 /nfs/dbraw/zinc/32/93/59/193329359.db2.gz ZORZGAASNFNUAK-SNVBAGLBSA-N 0 1 300.767 1.173 10 0 DDAEMN CN1CCC[C@H](NC(=O)c2ccc(Br)cc2N)C1 ZINC000094045053 193340873 /nfs/dbraw/zinc/34/08/73/193340873.db2.gz ZLAFFGYIWLOLCW-JTQLQIEISA-N 0 1 312.211 1.855 10 0 DDAEMN CC(C)NCc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644057 193389445 /nfs/dbraw/zinc/38/94/45/193389445.db2.gz YUQIKYGANYUZBS-NEPJUHHUSA-N 0 1 300.428 1.304 10 0 DDAEMN C[C@@H](Nc1nc2c(Br)cccn2n1)c1nn[nH]n1 ZINC000094604996 193383911 /nfs/dbraw/zinc/38/39/11/193383911.db2.gz CNWBCAZKFRNUBE-RXMQYKEDSA-N 0 1 309.131 1.178 10 0 DDAEMN COC(=O)[C@H]1CS[C@@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000022860852 182338055 /nfs/dbraw/zinc/33/80/55/182338055.db2.gz NONQXKSFECDTES-GDBMZVCRSA-N 0 1 306.431 1.857 10 0 DDAEMN Nc1cc(N)nc(SCC(=O)Nc2ccc(F)c(N)c2)n1 ZINC000041023416 183156570 /nfs/dbraw/zinc/15/65/70/183156570.db2.gz UHEYEHYKYGYQGW-UHFFFAOYSA-N 0 1 308.342 1.093 10 0 DDAEMN NNc1ncc(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC000041071337 183163276 /nfs/dbraw/zinc/16/32/76/183163276.db2.gz SMZDZVWVLKTHRR-PWSUYJOCSA-N 0 1 311.411 1.106 10 0 DDAEMN Cc1csc2nc(C[N@H+]3CCC[C@@H]3CC(=O)[O-])cc(=O)n12 ZINC000042162591 183237203 /nfs/dbraw/zinc/23/72/03/183237203.db2.gz HJSSJULJXKHDFE-LLVKDONJSA-N 0 1 307.375 1.504 10 0 DDAEMN COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000042707120 183299317 /nfs/dbraw/zinc/29/93/17/183299317.db2.gz XVWXOHZQIADDSC-VIFPVBQESA-N 0 1 314.769 1.940 10 0 DDAEMN NC(=O)c1cccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000105131372 194077621 /nfs/dbraw/zinc/07/76/21/194077621.db2.gz RIHNLIHBHDYUJM-OAHLLOKOSA-N 0 1 316.405 1.165 10 0 DDAEMN COc1cc(CNC(=O)N2CCN3CCCC[C@@H]3C2)ccc1O ZINC000105107993 194074976 /nfs/dbraw/zinc/07/49/76/194074976.db2.gz SUMQWNHODVOSMK-CQSZACIVSA-N 0 1 319.405 1.781 10 0 DDAEMN COc1cccc(CNC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000105211551 194084826 /nfs/dbraw/zinc/08/48/26/194084826.db2.gz PHLUXPCNSJVHEQ-AWEZNQCLSA-N 0 1 304.394 1.470 10 0 DDAEMN O=C(c1ccc2ccccc2n1)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284836080 218200128 /nfs/dbraw/zinc/20/01/28/218200128.db2.gz PHMXPGQUDSFTQE-MRXNPFEDSA-N 0 1 309.329 1.087 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000105620744 194115198 /nfs/dbraw/zinc/11/51/98/194115198.db2.gz NCQGHIZUIJEYPP-MRVPVSSYSA-N 0 1 308.325 1.429 10 0 DDAEMN CCOCCN1CCN(CC(=O)NCc2ccco2)C[C@@H]1CC ZINC000105837675 194144829 /nfs/dbraw/zinc/14/48/29/194144829.db2.gz CNRXVYUZRYOBBM-HNNXBMFYSA-N 0 1 323.437 1.329 10 0 DDAEMN Cc1cccc(C)c1NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000105932612 194173688 /nfs/dbraw/zinc/17/36/88/194173688.db2.gz MJDKMLISTHLNPJ-HUUCEWRRSA-N 0 1 305.422 1.551 10 0 DDAEMN Cc1nnc(N2CCN(CC(N)=S)CC2)c2ccccc12 ZINC000109442880 194263436 /nfs/dbraw/zinc/26/34/36/194263436.db2.gz IKEMYCRICDPOHK-UHFFFAOYSA-N 0 1 301.419 1.346 10 0 DDAEMN Cc1ccc(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)cn1 ZINC000109465357 194266159 /nfs/dbraw/zinc/26/61/59/194266159.db2.gz RBWKRJBESNOSNC-UHFFFAOYSA-N 0 1 306.435 1.213 10 0 DDAEMN CC[N@H+](CC(=O)Nc1cc(F)ccc1F)C[C@H](C)C(=O)[O-] ZINC000061219447 184166400 /nfs/dbraw/zinc/16/64/00/184166400.db2.gz IGHFJDYXGRPFPE-VIFPVBQESA-N 0 1 300.305 1.946 10 0 DDAEMN CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062876526 184258028 /nfs/dbraw/zinc/25/80/28/184258028.db2.gz UPADTILBVYHKPV-HNNXBMFYSA-N 0 1 310.419 1.893 10 0 DDAEMN C[C@H]1CN(C(=O)[C@@H]2CCCO2)CCN1CCc1ccccc1 ZINC000062691027 184247507 /nfs/dbraw/zinc/24/75/07/184247507.db2.gz FSCKMVALTSLMDH-RDJZCZTQSA-N 0 1 302.418 1.941 10 0 DDAEMN CC[C@H](O)c1cccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000062983761 184264720 /nfs/dbraw/zinc/26/47/20/184264720.db2.gz GEUMMXUKOBHKLV-ZFWWWQNUSA-N 0 1 312.435 1.455 10 0 DDAEMN CCCNc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)ccn1 ZINC000062984612 184264945 /nfs/dbraw/zinc/26/49/45/184264945.db2.gz VPIGBYXOWOBBTC-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CCCNc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cn1 ZINC000062984587 184265140 /nfs/dbraw/zinc/26/51/40/184265140.db2.gz XWCKEOOCGOBBFD-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN Cc1cc(Br)ccc1OCC(=O)N1CCNCC1 ZINC000063061996 184268911 /nfs/dbraw/zinc/26/89/11/184268911.db2.gz UYIPEXBLBYUCCV-UHFFFAOYSA-N 0 1 313.195 1.568 10 0 DDAEMN Cc1ccc(N)c(C)c1S(=O)(=O)N(C)CCN1CCCC1 ZINC000063051383 184268916 /nfs/dbraw/zinc/26/89/16/184268916.db2.gz AKHXLEBQXGMVNT-UHFFFAOYSA-N 0 1 311.451 1.602 10 0 DDAEMN O=S1(=O)CC[C@@H](Cc2nc(CCc3ccccc3)n[nH]2)C1 ZINC000065461185 184349038 /nfs/dbraw/zinc/34/90/38/184349038.db2.gz OAIHOIIOKGIHHF-ZDUSSCGKSA-N 0 1 305.403 1.567 10 0 DDAEMN CC[N@@H+]1CCO[C@@H](CNC(=O)CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000262114624 285357459 /nfs/dbraw/zinc/35/74/59/285357459.db2.gz KWPQUTUMJVTLPO-YOEHRIQHSA-N 0 1 320.389 1.429 10 0 DDAEMN CC[N@H+]1CCO[C@@H](CNC(=O)CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000262114624 285357461 /nfs/dbraw/zinc/35/74/61/285357461.db2.gz KWPQUTUMJVTLPO-YOEHRIQHSA-N 0 1 320.389 1.429 10 0 DDAEMN CCOC(=O)CCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000171613937 285704825 /nfs/dbraw/zinc/70/48/25/285704825.db2.gz KRSCJJWDPDNWLL-HNNXBMFYSA-N 0 1 306.406 1.571 10 0 DDAEMN O=C(c1cc(F)c(F)c([O-])c1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000186052717 407569917 /nfs/dbraw/zinc/56/99/17/407569917.db2.gz CPLOYGGODCRXNY-QMMMGPOBSA-N 0 1 300.280 1.730 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H](C)O1 ZINC000068367906 406637030 /nfs/dbraw/zinc/63/70/30/406637030.db2.gz YMNJUGXOBQXXAR-ZIAGYGMSSA-N 0 1 318.421 1.083 10 0 DDAEMN CNC(=O)NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107074 406956299 /nfs/dbraw/zinc/95/62/99/406956299.db2.gz XSSHSQYZIKNIAM-KGLIPLIRSA-N 0 1 305.378 1.030 10 0 DDAEMN CC1(C)C(=O)N(c2ncc(CO)c3nc[nH]c32)C(=O)C1(C)C ZINC000089203271 407126269 /nfs/dbraw/zinc/12/62/69/407126269.db2.gz QGXNZUHXLWGTJF-UHFFFAOYSA-N 0 1 302.334 1.376 10 0 DDAEMN CC(C)CN(C(=O)CN1CCC[C@H](Cn2cncn2)C1)C1CC1 ZINC000105884201 407356487 /nfs/dbraw/zinc/35/64/87/407356487.db2.gz RNTGZXZPKOZIHN-HNNXBMFYSA-N 0 1 319.453 1.637 10 0 DDAEMN O=C(CN1CCC(Cn2cccn2)CC1)NCc1cccnc1 ZINC000111229231 407401777 /nfs/dbraw/zinc/40/17/77/407401777.db2.gz VMXNSJDMFYSUDJ-UHFFFAOYSA-N 0 1 313.405 1.307 10 0 DDAEMN CCN1CCC[C@H]1CN(C)C(=O)C(=O)c1ccccc1OC ZINC000186095173 407574458 /nfs/dbraw/zinc/57/44/58/407574458.db2.gz IEOLBBILOIRIOU-ZDUSSCGKSA-N 0 1 304.390 1.821 10 0 DDAEMN CCC[C@@H](C(=O)N[C@H](C)C(=O)NCc1ccccc1)N(C)C ZINC000178652408 407531955 /nfs/dbraw/zinc/53/19/55/407531955.db2.gz LDKAFBARETVJLS-HIFRSBDPSA-N 0 1 305.422 1.538 10 0 DDAEMN O=C1CCCN1C[C@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186216105 407610910 /nfs/dbraw/zinc/61/09/10/407610910.db2.gz HNLFGEITZIIIMK-OAHLLOKOSA-N 0 1 300.402 1.517 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000130045055 407647090 /nfs/dbraw/zinc/64/70/90/407647090.db2.gz PJIMXOKZDPYRCT-GFCCVEGCSA-N 0 1 301.350 1.973 10 0 DDAEMN O[C@@H](CN1CCC[C@H](n2cncn2)C1)c1cc(F)ccc1F ZINC000171619397 407719106 /nfs/dbraw/zinc/71/91/06/407719106.db2.gz BTPLALGUADSLJH-WFASDCNBSA-N 0 1 308.332 1.927 10 0 DDAEMN O=C(c1ccc(OCC(F)F)nc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179133833 407732137 /nfs/dbraw/zinc/73/21/37/407732137.db2.gz AXXCTSAWRNWJLL-GFCCVEGCSA-N 0 1 311.332 1.646 10 0 DDAEMN CC(C)CN1CCC[C@@H]1CNC1=NS(=O)(=O)c2ccccc21 ZINC000131470408 407735831 /nfs/dbraw/zinc/73/58/31/407735831.db2.gz JGKVIJKSCJTFAD-CYBMUJFWSA-N 0 1 321.446 1.846 10 0 DDAEMN Cn1cc([C@H]2CCN(CC(=O)N3CCc4ccccc4C3)C2)cn1 ZINC000116321915 407742851 /nfs/dbraw/zinc/74/28/51/407742851.db2.gz MIWOIJNWRCIAJY-KRWDZBQOSA-N 0 1 324.428 1.794 10 0 DDAEMN CCCNC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(CC)cc1 ZINC000153076151 407747562 /nfs/dbraw/zinc/74/75/62/407747562.db2.gz FFNBXXVTQURBNA-CQSZACIVSA-N 0 1 319.449 1.884 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2cnn(C)c2)C[C@H]1CC ZINC000116771279 407773748 /nfs/dbraw/zinc/77/37/48/407773748.db2.gz WRMGUFSCXMGPGT-MRXNPFEDSA-N 0 1 322.453 1.312 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000262248994 407776484 /nfs/dbraw/zinc/77/64/84/407776484.db2.gz ILTCVGPPQBODSJ-WBVHZDCISA-N 0 1 313.401 1.764 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000262312952 407794114 /nfs/dbraw/zinc/79/41/14/407794114.db2.gz PJBDLIUHQVGERL-AWEZNQCLSA-N 0 1 319.336 1.603 10 0 DDAEMN CCOCCN1CCN(C(=O)CC2CCOCC2)C[C@H]1CC ZINC000117261586 407818959 /nfs/dbraw/zinc/81/89/59/407818959.db2.gz VAWVPQJCBPUSFL-MRXNPFEDSA-N 0 1 312.454 1.762 10 0 DDAEMN CCO[C@H]1C[C@H](NC(=O)CN(CC)C2CC2)C12CCOCC2 ZINC000187095801 407820985 /nfs/dbraw/zinc/82/09/85/407820985.db2.gz GWGCXEBYEHNCEL-GJZGRUSLSA-N 0 1 310.438 1.561 10 0 DDAEMN CC(=O)Nc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000180109779 407857234 /nfs/dbraw/zinc/85/72/34/407857234.db2.gz ZXAXASBNEKIUSO-OAHLLOKOSA-N 0 1 315.377 1.645 10 0 DDAEMN Cc1cnn(CCNS(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000117927770 407872203 /nfs/dbraw/zinc/87/22/03/407872203.db2.gz NIHMKDZFKSSFRO-UHFFFAOYSA-N 0 1 319.308 1.587 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3nccn3c2)C1 ZINC000262700907 407905114 /nfs/dbraw/zinc/90/51/14/407905114.db2.gz IAOOFZRSQKFHLF-UHFFFAOYSA-N 0 1 316.361 1.002 10 0 DDAEMN CCc1ccc(CCN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000262766417 407922148 /nfs/dbraw/zinc/92/21/48/407922148.db2.gz AUXVRGNZSAHADB-KRWDZBQOSA-N 0 1 320.433 1.509 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccc(C)cc2)C1 ZINC000263138407 408034090 /nfs/dbraw/zinc/03/40/90/408034090.db2.gz ZKLOPXDCAAMNHR-UHFFFAOYSA-N 0 1 319.405 1.732 10 0 DDAEMN CCOCCN1CCN(Cc2cccc3c2OCO3)C[C@H]1C ZINC000245683355 408041306 /nfs/dbraw/zinc/04/13/06/408041306.db2.gz AADHPRWUEDYRQT-CQSZACIVSA-N 0 1 306.406 1.958 10 0 DDAEMN COc1ccc(NC(=O)CC[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000263158211 408042033 /nfs/dbraw/zinc/04/20/33/408042033.db2.gz QHCVWICLVHGABQ-NSHDSACASA-N 0 1 306.362 1.961 10 0 DDAEMN CCC(CC)CC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262954254 407983744 /nfs/dbraw/zinc/98/37/44/407983744.db2.gz PEDYWKWCCHCYFZ-CYBMUJFWSA-N 0 1 300.399 1.057 10 0 DDAEMN CCC[C@H](C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262963089 407985800 /nfs/dbraw/zinc/98/58/00/407985800.db2.gz QMYPDAQKWIDHAQ-STQMWFEESA-N 0 1 300.399 1.057 10 0 DDAEMN CCOC(=O)[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000175148082 408062150 /nfs/dbraw/zinc/06/21/50/408062150.db2.gz OLXRMNJIWDZKSZ-UKRRQHHQSA-N 0 1 306.406 1.475 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(C3CC3)CC2)CCN1C[C@@H](C)O ZINC000182038826 408066935 /nfs/dbraw/zinc/06/69/35/408066935.db2.gz RPGCZUAOMSGDCF-HIFRSBDPSA-N 0 1 309.454 1.663 10 0 DDAEMN COC(=O)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)s1 ZINC000119431086 408067440 /nfs/dbraw/zinc/06/74/40/408067440.db2.gz PNUYEEIIFXOHRH-GFCCVEGCSA-N 0 1 310.419 1.441 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(OC)c(O)c2)C[C@H]1C ZINC000245811978 408069904 /nfs/dbraw/zinc/06/99/04/408069904.db2.gz ZNAARKMAKBVZSM-CQSZACIVSA-N 0 1 308.422 1.943 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000182195937 408088925 /nfs/dbraw/zinc/08/89/25/408088925.db2.gz VLZKNPAEXQCKDU-STQMWFEESA-N 0 1 310.398 1.464 10 0 DDAEMN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000175266959 408090122 /nfs/dbraw/zinc/09/01/22/408090122.db2.gz UHVPAVRIJIPZQO-GFCCVEGCSA-N 0 1 324.396 1.696 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCCc3ccccc3)CCO2)n[nH]1 ZINC000175287483 408097115 /nfs/dbraw/zinc/09/71/15/408097115.db2.gz FCLVDMVGZHOBIR-AWEZNQCLSA-N 0 1 315.377 1.439 10 0 DDAEMN CC[C@H]1CN(c2nc(CCOC)ns2)CCN1C[C@H](C)O ZINC000246142401 408154644 /nfs/dbraw/zinc/15/46/44/408154644.db2.gz GPWFYKLUQMIEBP-RYUDHWBXSA-N 0 1 314.455 1.008 10 0 DDAEMN CCOc1cncc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263559582 408176121 /nfs/dbraw/zinc/17/61/21/408176121.db2.gz QMCYYHHMBJBBSV-UHFFFAOYSA-N 0 1 320.393 1.615 10 0 DDAEMN CCCN(C[C@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246346214 408225993 /nfs/dbraw/zinc/22/59/93/408225993.db2.gz WEDLEUAUBRSIDO-STQMWFEESA-N 0 1 307.456 1.062 10 0 DDAEMN C[C@@H](C(=O)NCc1ccccc1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246795452 408340856 /nfs/dbraw/zinc/34/08/56/408340856.db2.gz ARXIZTXHQAKENW-GOEBONIOSA-N 0 1 312.417 1.914 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)CC(C)C)CCO2)n[nH]1 ZINC000133312960 162055798 /nfs/dbraw/zinc/05/57/98/162055798.db2.gz UQUCTPPAVFATEW-NEPJUHHUSA-N 0 1 309.414 1.885 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCc2ccccn2)C[C@H]1C ZINC000246822395 408349025 /nfs/dbraw/zinc/34/90/25/408349025.db2.gz SPNOVNQZTANCRQ-CABCVRRESA-N 0 1 305.422 1.318 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)CSC)CCO2)n[nH]1 ZINC000141384346 162133823 /nfs/dbraw/zinc/13/38/23/162133823.db2.gz LHGFPJHVMSQOAV-UWVGGRQHSA-N 0 1 313.427 1.202 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000172801760 162305627 /nfs/dbraw/zinc/30/56/27/162305627.db2.gz SCMNZGPANFXDFO-OAHLLOKOSA-N 0 1 322.453 1.315 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000173272306 162330379 /nfs/dbraw/zinc/33/03/79/162330379.db2.gz AFIXJUBMHQFWAN-KGLIPLIRSA-N 0 1 323.441 1.602 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)CCO2)n[nH]1 ZINC000173612442 162351374 /nfs/dbraw/zinc/35/13/74/162351374.db2.gz AQQJAKVDQMCZIC-CHWSQXEVSA-N 0 1 321.425 1.141 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)CCO2)n[nH]1 ZINC000173612442 162351377 /nfs/dbraw/zinc/35/13/77/162351377.db2.gz AQQJAKVDQMCZIC-CHWSQXEVSA-N 0 1 321.425 1.141 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n[nH]1 ZINC000173661541 162352644 /nfs/dbraw/zinc/35/26/44/162352644.db2.gz WUSYEECZGRENLZ-JSGCOSHPSA-N 0 1 323.441 1.520 10 0 DDAEMN Cc1nc([C@@H]2CN(CCOc3ccccc3F)CCO2)n[nH]1 ZINC000173666641 162356504 /nfs/dbraw/zinc/35/65/04/162356504.db2.gz PKVYGMVHXUDCQH-AWEZNQCLSA-N 0 1 306.341 1.705 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000247186204 408425048 /nfs/dbraw/zinc/42/50/48/408425048.db2.gz LDTLQHISELIZMZ-QWRGUYRKSA-N 0 1 316.373 1.822 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000183930945 408511702 /nfs/dbraw/zinc/51/17/02/408511702.db2.gz PHYQCVGQTLBMJB-CQSZACIVSA-N 0 1 312.373 1.836 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(C)s1 ZINC000247471690 408474258 /nfs/dbraw/zinc/47/42/58/408474258.db2.gz HECMRAOWCAGPLK-LBPRGKRZSA-N 0 1 300.449 1.834 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(CCOC)[C@@H](C)C1 ZINC000248410345 408561396 /nfs/dbraw/zinc/56/13/96/408561396.db2.gz DDYBXSAWBDNBJL-GJZGRUSLSA-N 0 1 300.443 1.617 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)CCN1C[C@H](C)O ZINC000248444329 408568831 /nfs/dbraw/zinc/56/88/31/408568831.db2.gz BMOUQSYZUKMZLQ-UONOGXRCSA-N 0 1 320.437 1.065 10 0 DDAEMN O=S(=O)(Cc1noc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000248716145 408621238 /nfs/dbraw/zinc/62/12/38/408621238.db2.gz FTBJTYNWOGYXHH-LBPRGKRZSA-N 0 1 321.402 1.438 10 0 DDAEMN CCC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C)CCN1CCOC ZINC000249393088 408723670 /nfs/dbraw/zinc/72/36/70/408723670.db2.gz GGCCSSCIEIHEEM-ARFHVFGLSA-N 0 1 312.454 1.761 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccsc2)CCN1C[C@@H](C)O ZINC000184820234 408696913 /nfs/dbraw/zinc/69/69/13/408696913.db2.gz IPHFPMLEOSXQQX-TZMCWYRMSA-N 0 1 311.451 1.735 10 0 DDAEMN CC(C)COCCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185265630 408788854 /nfs/dbraw/zinc/78/88/54/408788854.db2.gz JLEHVKCTJOBLCK-HUUCEWRRSA-N 0 1 315.458 1.146 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NC(C)(C)CC)CCN1CCOC ZINC000252321455 408793327 /nfs/dbraw/zinc/79/33/27/408793327.db2.gz AOVSUXRPEUPWQW-HUUCEWRRSA-N 0 1 313.486 1.722 10 0 DDAEMN CN(C)C(=O)N1CCC(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000195060122 408810340 /nfs/dbraw/zinc/81/03/40/408810340.db2.gz QHRJFRCDLHQNTK-HNNXBMFYSA-N 0 1 322.453 1.077 10 0 DDAEMN CN(C)C(=O)N1CCC(C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000195060122 408810344 /nfs/dbraw/zinc/81/03/44/408810344.db2.gz QHRJFRCDLHQNTK-HNNXBMFYSA-N 0 1 322.453 1.077 10 0 DDAEMN CO[C@]1(C(=O)N2CCCN(Cc3ccccc3)CC2)CCOC1 ZINC000276521639 408875420 /nfs/dbraw/zinc/87/54/20/408875420.db2.gz ZYTZTKXRANXMRL-GOSISDBHSA-N 0 1 318.417 1.526 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3c[nH]nc3C(C)C)CCO2)n[nH]1 ZINC000189450645 163101762 /nfs/dbraw/zinc/10/17/62/163101762.db2.gz LCXZYSJJTSKBDM-LLVKDONJSA-N 0 1 304.354 1.173 10 0 DDAEMN O=S(=O)(c1ccc(F)c(F)c1)N1CCN2CCC[C@H]2C1 ZINC000247222061 163553854 /nfs/dbraw/zinc/55/38/54/163553854.db2.gz BZIXAQANBIESTI-JTQLQIEISA-N 0 1 302.346 1.434 10 0 DDAEMN CCc1ccc(CN(C)c2cc(C3CC(O)C3)nc(N)n2)nc1 ZINC000223959385 418564399 /nfs/dbraw/zinc/56/43/99/418564399.db2.gz QNBOBZWMJPSJSL-UHFFFAOYSA-N 0 1 313.405 1.891 10 0 DDAEMN NC(=O)[C@@H]1CN(Cc2cnn3ccccc23)C[C@H]1C(F)(F)F ZINC000299742741 229379220 /nfs/dbraw/zinc/37/92/20/229379220.db2.gz IUBDXLPBFTUCRK-GHMZBOCLSA-N 0 1 312.295 1.430 10 0 DDAEMN CN1CCO[C@@H](CNc2ncnc3[nH]cnc32)[C@@H]1c1ccccc1 ZINC000583617494 422201684 /nfs/dbraw/zinc/20/16/84/422201684.db2.gz DWHTUWYBFADYQQ-ZFWWWQNUSA-N 0 1 324.388 1.788 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653697 422243953 /nfs/dbraw/zinc/24/39/53/422243953.db2.gz UUABSQJTIWSKKM-QEJZJMRPSA-N 0 1 322.380 1.969 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653697 422243959 /nfs/dbraw/zinc/24/39/59/422243959.db2.gz UUABSQJTIWSKKM-QEJZJMRPSA-N 0 1 322.380 1.969 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000637966124 422516506 /nfs/dbraw/zinc/51/65/06/422516506.db2.gz XDWJNGUGESPFRN-ARLBYUKCSA-N 0 1 306.406 1.196 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2F)CC1 ZINC000173452274 280208006 /nfs/dbraw/zinc/20/80/06/280208006.db2.gz RIRRVJJERLGJLE-CZUORRHYSA-N 0 1 324.396 1.428 10 0 DDAEMN O=C1[C@H](N2CCC[C@H](n3cccn3)C2)CCN1C1CCOCC1 ZINC000328613065 280323190 /nfs/dbraw/zinc/32/31/90/280323190.db2.gz PZPZRGIZWJMXIZ-JKSUJKDBSA-N 0 1 318.421 1.300 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2nnc(C)s2)CCN1C[C@H](C)O ZINC000247552510 282059199 /nfs/dbraw/zinc/05/91/99/282059199.db2.gz QCDCZWGFTKZNDC-GXSJLCMTSA-N 0 1 313.427 1.155 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000262232989 293118104 /nfs/dbraw/zinc/11/81/04/293118104.db2.gz GZNAFGVPLAARMQ-ADEWGFFLSA-N 0 1 302.296 1.651 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCCCC2=O)n[nH]1 ZINC000328729499 534553143 /nfs/dbraw/zinc/55/31/43/534553143.db2.gz HLAJEXLWKFQUAV-ZDUSSCGKSA-N 0 1 319.409 1.569 10 0 DDAEMN O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000328838068 534687268 /nfs/dbraw/zinc/68/72/68/534687268.db2.gz NORZFJGQQWJFIL-ZDUSSCGKSA-N 0 1 323.360 1.405 10 0 DDAEMN O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000328838061 534687296 /nfs/dbraw/zinc/68/72/96/534687296.db2.gz NORZFJGQQWJFIL-CYBMUJFWSA-N 0 1 323.360 1.405 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCN2CCCC[C@H]2C1 ZINC000111563181 696644648 /nfs/dbraw/zinc/64/46/48/696644648.db2.gz NUDNOPKQFGOCKL-LBPRGKRZSA-N 0 1 312.373 1.233 10 0 DDAEMN Fc1cc2ncn(CN3CC[C@@H](N4CCOCC4)C3)c2cc1F ZINC000172960818 697374592 /nfs/dbraw/zinc/37/45/92/697374592.db2.gz ILWDSXMBVOEINM-GFCCVEGCSA-N 0 1 322.359 1.679 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCC1(C)OCCO1 ZINC000185527767 697519627 /nfs/dbraw/zinc/51/96/27/697519627.db2.gz WQCYOLBDNPTFAK-OAHLLOKOSA-N 0 1 306.406 1.429 10 0 DDAEMN C=CCc1cc(OC)cc(CN2CCCNC(=O)[C@H]2C)c1O ZINC000190700992 697594876 /nfs/dbraw/zinc/59/48/76/697594876.db2.gz RWWDAPDFAWKRFV-GFCCVEGCSA-N 0 1 304.390 1.840 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000194147834 697694112 /nfs/dbraw/zinc/69/41/12/697694112.db2.gz BDWGPJIZHUUHSW-CQSZACIVSA-N 0 1 318.421 1.292 10 0 DDAEMN O=C([O-])[C@@H](CC[NH+]1CCOCC1)NC(=O)OCc1ccccc1 ZINC000214063051 697751916 /nfs/dbraw/zinc/75/19/16/697751916.db2.gz ULQLXNWYGQMZCC-CQSZACIVSA-N 0 1 322.361 1.088 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@H](C(=O)N(CCO)Cc1ccccc1)C2 ZINC000220573428 697755183 /nfs/dbraw/zinc/75/51/83/697755183.db2.gz OBICMSKADJJSBL-HNNXBMFYSA-N 0 1 313.401 1.844 10 0 DDAEMN COC[C@@H](N)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000262227713 698460361 /nfs/dbraw/zinc/46/03/61/698460361.db2.gz GLTMLSZWOSDHJR-NXEZZACHSA-N 0 1 307.177 1.117 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3c(c2)COC3)C1 ZINC000262698502 698477981 /nfs/dbraw/zinc/47/79/81/698477981.db2.gz HEDQOZVRIBIIGH-UHFFFAOYSA-N 0 1 318.373 1.384 10 0 DDAEMN O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000700770796 699222387 /nfs/dbraw/zinc/22/23/87/699222387.db2.gz IBFSZKLXPKXFDY-VHSXEESVSA-N 0 1 316.188 1.591 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@@H](CNCc2nccs2)[C@H](O)C1 ZINC000702842395 699234030 /nfs/dbraw/zinc/23/40/30/699234030.db2.gz WUBKVONCODEDJD-GHMZBOCLSA-N 0 1 313.423 1.461 10 0 DDAEMN CC(C)(C)S(=O)(=O)CCCN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000718784849 699295319 /nfs/dbraw/zinc/29/53/19/699295319.db2.gz IIZPATSHEDNAAO-IHRRRGAJSA-N 0 1 303.468 1.683 10 0 DDAEMN CC(C)Oc1cncc(C(=O)N2CCC[C@@H]2c2nn[nH]n2)c1 ZINC000900390256 709570606 /nfs/dbraw/zinc/57/06/06/709570606.db2.gz AZLVGUWJPJDJIF-GFCCVEGCSA-N 0 1 302.338 1.359 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1C[C@H](C)O ZINC000248464675 282086075 /nfs/dbraw/zinc/08/60/75/282086075.db2.gz YQANBYLCVBFHCE-SWLSCSKDSA-N 0 1 309.454 1.662 10 0 DDAEMN COCc1cc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901887 192336550 /nfs/dbraw/zinc/33/65/50/192336550.db2.gz UTBASCZFGRKORN-NWDGAFQWSA-N 0 1 315.435 1.925 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(c2nc(C(C)C)ns2)CC1 ZINC000087639952 185229667 /nfs/dbraw/zinc/22/96/67/185229667.db2.gz DMOIJZYEJBOZND-JTQLQIEISA-N 0 1 313.496 1.848 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)CC)c1S(N)(=O)=O ZINC000087895645 185235529 /nfs/dbraw/zinc/23/55/29/185235529.db2.gz XNYKAFSSTLMIAK-VIFPVBQESA-N 0 1 316.427 1.128 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1I ZINC000088002576 185238038 /nfs/dbraw/zinc/23/80/38/185238038.db2.gz UGARXRPLGVGTJW-QMMMGPOBSA-N 0 1 320.130 1.203 10 0 DDAEMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccnc2N)cc1 ZINC000088070469 185238733 /nfs/dbraw/zinc/23/87/33/185238733.db2.gz GHOIVLIWHUDYND-UHFFFAOYSA-N 0 1 306.347 1.423 10 0 DDAEMN Nc1nc2ccc(C(=O)NCCCc3nc[nH]n3)cc2s1 ZINC000087847824 185233329 /nfs/dbraw/zinc/23/33/29/185233329.db2.gz GGNYSYHDSOYWEB-UHFFFAOYSA-N 0 1 302.363 1.359 10 0 DDAEMN CCCOc1ccc([C@@H](N)CS(=O)(=O)CC(=O)OC)cc1 ZINC000081976260 192348535 /nfs/dbraw/zinc/34/85/35/192348535.db2.gz ISQLCBAPUCACSS-ZDUSSCGKSA-N 0 1 315.391 1.063 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(Cc1ccc(C)o1)C1CC1)C(C)C ZINC000183635887 539242661 /nfs/dbraw/zinc/24/26/61/539242661.db2.gz GWQDJKKSZKDNRM-MRXNPFEDSA-N 0 1 321.421 1.439 10 0 DDAEMN CCOc1ccc(OCC)c(NS(=O)(=O)CC(N)=S)c1 ZINC000088486913 185253220 /nfs/dbraw/zinc/25/32/20/185253220.db2.gz ZBIVUWPMINNRON-UHFFFAOYSA-N 0 1 318.420 1.512 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000088432951 185249664 /nfs/dbraw/zinc/24/96/64/185249664.db2.gz LGDJZQNWEQOHDP-QMMMGPOBSA-N 0 1 324.328 1.330 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCCO[C@H](C)C2)o1 ZINC000088544559 185257067 /nfs/dbraw/zinc/25/70/67/185257067.db2.gz UXEAQHCMOWNNLU-GFCCVEGCSA-N 0 1 316.423 1.577 10 0 DDAEMN CCN([C@@H](C)COC)S(=O)(=O)c1ccc(CNC(C)C)o1 ZINC000088544096 185256711 /nfs/dbraw/zinc/25/67/11/185256711.db2.gz WFMHSVZFIWHTHI-LBPRGKRZSA-N 0 1 318.439 1.823 10 0 DDAEMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C ZINC000246259204 539269844 /nfs/dbraw/zinc/26/98/44/539269844.db2.gz UMWWZHWKSQHXAD-ZJUUUORDSA-N 0 1 314.332 1.198 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C ZINC000246259204 539269846 /nfs/dbraw/zinc/26/98/46/539269846.db2.gz UMWWZHWKSQHXAD-ZJUUUORDSA-N 0 1 314.332 1.198 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1NN ZINC000092633914 185330516 /nfs/dbraw/zinc/33/05/16/185330516.db2.gz XBVCUYKULHJTQG-GFCCVEGCSA-N 0 1 312.439 1.077 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC[C@@H]1c1cccs1 ZINC000092780425 185340209 /nfs/dbraw/zinc/34/02/09/185340209.db2.gz BSGYFOOAHQUJPH-DGCLKSJQSA-N 0 1 302.403 1.849 10 0 DDAEMN C[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1Cl)CC(C)(C)O ZINC000092969188 185350567 /nfs/dbraw/zinc/35/05/67/185350567.db2.gz JHTRWOHXFMZUGU-UHFFFAOYSA-N 0 1 314.769 1.679 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)N(C)C1 ZINC000346575748 539374852 /nfs/dbraw/zinc/37/48/52/539374852.db2.gz SRWHVMAXNSJWCE-HOTGVXAUSA-N 0 1 303.406 1.507 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc1 ZINC000124022177 185867557 /nfs/dbraw/zinc/86/75/57/185867557.db2.gz CIEWURNBXKFPFU-NHYWBVRUSA-N 0 1 310.419 1.460 10 0 DDAEMN Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000287016777 219271834 /nfs/dbraw/zinc/27/18/34/219271834.db2.gz UTKPTYIXFVVSKC-SNVBAGLBSA-N 0 1 303.815 1.368 10 0 DDAEMN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000071663225 191000131 /nfs/dbraw/zinc/00/01/31/191000131.db2.gz ANGPBMZVRDAXJM-UHFFFAOYSA-N 0 1 307.327 1.599 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173578773 198229654 /nfs/dbraw/zinc/22/96/54/198229654.db2.gz WAWOLAYEDMXCQW-GFCCVEGCSA-N 0 1 322.315 1.859 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)n[nH]1 ZINC000173575367 198228788 /nfs/dbraw/zinc/22/87/88/198228788.db2.gz VMGIFYKEFOSMRA-GFCCVEGCSA-N 0 1 322.315 1.859 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000173883275 198263714 /nfs/dbraw/zinc/26/37/14/198263714.db2.gz YIPQHLBPPGRSHE-HZMBPMFUSA-N 0 1 318.389 1.972 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000174093205 198289758 /nfs/dbraw/zinc/28/97/58/198289758.db2.gz IUTZOZHVBGBXAR-OAHLLOKOSA-N 0 1 316.405 1.625 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174174335 198301812 /nfs/dbraw/zinc/30/18/12/198301812.db2.gz XVGYQQJLERJKRE-JTQLQIEISA-N 0 1 309.370 1.020 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247229888 354364292 /nfs/dbraw/zinc/36/42/92/354364292.db2.gz DBPYZIVYDTXWOB-STQMWFEESA-N 0 1 309.414 1.212 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSCC(=O)[O-] ZINC000309870915 354475350 /nfs/dbraw/zinc/47/53/50/354475350.db2.gz GQFBCIOCZYMUAD-LBPRGKRZSA-N 0 1 310.419 1.441 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)NCCN(C)C)cc1Cl ZINC000074935509 191390071 /nfs/dbraw/zinc/39/00/71/191390071.db2.gz ZEAJPAPCROQJDM-UHFFFAOYSA-N 0 1 320.842 1.967 10 0 DDAEMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@H](n2cncn2)C1 ZINC000179471940 199040966 /nfs/dbraw/zinc/04/09/66/199040966.db2.gz XWBVZZBUWMUMHK-AWEZNQCLSA-N 0 1 323.360 1.541 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)CC(=O)[N-]OCc1ccccc1 ZINC000180527578 199171935 /nfs/dbraw/zinc/17/19/35/199171935.db2.gz WDNOKZWXUXHYGC-INIZCTEOSA-N 0 1 305.422 1.651 10 0 DDAEMN CNCc1[nH]nc(C)c1S(=O)(=O)N1CCC(C)(C)CC1 ZINC000089027099 192707322 /nfs/dbraw/zinc/70/73/22/192707322.db2.gz FVYCWQFGJLRVRP-UHFFFAOYSA-N 0 1 300.428 1.248 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000091219104 193021581 /nfs/dbraw/zinc/02/15/81/193021581.db2.gz VCXYTYKOMWSVEZ-HZGVNTEJSA-N 0 1 308.288 1.964 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)N(C)C2CC2)CC1 ZINC000091478542 193062517 /nfs/dbraw/zinc/06/25/17/193062517.db2.gz GEUQRTTUXRVPFU-UHFFFAOYSA-N 0 1 301.481 1.091 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H]1CCn1cc(Br)cn1 ZINC000093598411 193272131 /nfs/dbraw/zinc/27/21/31/193272131.db2.gz MXDODCOCJMVAIF-CABZTGNLSA-N 0 1 316.199 1.706 10 0 DDAEMN CC(C)[N@@H+](CCCC(=O)[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698187 193292620 /nfs/dbraw/zinc/29/26/20/193292620.db2.gz CBIBJHLZSTZMEV-ZDUSSCGKSA-N 0 1 320.455 1.233 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093779645 193306424 /nfs/dbraw/zinc/30/64/24/193306424.db2.gz AVFJSLDMCQBCGH-TVQRCGJNSA-N 0 1 314.411 1.058 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)CN1CCCC1 ZINC000093648595 193282990 /nfs/dbraw/zinc/28/29/90/193282990.db2.gz LGMDLYXEXRCBJJ-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N(C)CCN1CCCC1 ZINC000093648771 193284700 /nfs/dbraw/zinc/28/47/00/193284700.db2.gz XVYRYRFHSOBZFD-UHFFFAOYSA-N 0 1 311.451 1.602 10 0 DDAEMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CCN1C ZINC000094336195 193360808 /nfs/dbraw/zinc/36/08/08/193360808.db2.gz CYFHZTSZYBZWKF-MRVPVSSYSA-N 0 1 318.368 1.875 10 0 DDAEMN CCCN[C@H](C)c1csc(N2C(=O)C(C)(C)S2(=O)=O)n1 ZINC000094344209 193362890 /nfs/dbraw/zinc/36/28/90/193362890.db2.gz VFXBNKFEVLWMPW-MRVPVSSYSA-N 0 1 317.436 1.659 10 0 DDAEMN Cc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)n1 ZINC000094359272 193364782 /nfs/dbraw/zinc/36/47/82/193364782.db2.gz CZWPVYDNJQPXSD-UHFFFAOYSA-N 0 1 310.354 1.924 10 0 DDAEMN C[C@H](CNS(=O)(=O)c1cccc2cc(N)ccc21)N(C)C ZINC000094787203 193398803 /nfs/dbraw/zinc/39/88/03/193398803.db2.gz YJZQHRKINWSMFI-LLVKDONJSA-N 0 1 307.419 1.650 10 0 DDAEMN COCCNC(=O)CSc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000021649555 182282174 /nfs/dbraw/zinc/28/21/74/182282174.db2.gz JXLSWJNWRKFQJH-UHFFFAOYSA-N 0 1 310.354 1.466 10 0 DDAEMN OCc1nc2cc(Cl)ccc2n1CCCN1CCOCC1 ZINC000040405988 183062176 /nfs/dbraw/zinc/06/21/76/183062176.db2.gz NYVSHCSNMQAZGY-UHFFFAOYSA-N 0 1 309.797 1.904 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)c(N)c2)C1 ZINC000040501842 183083310 /nfs/dbraw/zinc/08/33/10/183083310.db2.gz HGTKEJDRJMBROP-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN CN1CCC[C@H](Nc2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000040673425 183116357 /nfs/dbraw/zinc/11/63/57/183116357.db2.gz BVCLILCHYGMHEL-ZDUSSCGKSA-N 0 1 309.435 1.633 10 0 DDAEMN CC(C)N(CCO)[C@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000042479362 183275396 /nfs/dbraw/zinc/27/53/96/183275396.db2.gz VFUCORUCXAJVRQ-LLVKDONJSA-N 0 1 309.435 1.351 10 0 DDAEMN C[C@@H](C[N@@H+](C)CC(=O)N(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000042706569 183299830 /nfs/dbraw/zinc/29/98/30/183299830.db2.gz JHLHAVDVSUXMKX-NSHDSACASA-N 0 1 312.797 1.951 10 0 DDAEMN COc1cc(OC)c([C@H](N)[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000043300087 183352620 /nfs/dbraw/zinc/35/26/20/183352620.db2.gz NJYNOZFTRVHQNS-LKFCYVNXSA-N 0 1 315.391 1.147 10 0 DDAEMN CC[C@H]1CN(CC(=O)NCc2ccccc2)CCN1C[C@@H](C)O ZINC000105825486 194137394 /nfs/dbraw/zinc/13/73/94/194137394.db2.gz VFIUYXGFKRCIIA-WBVHZDCISA-N 0 1 319.449 1.080 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccccc2F)CCN1C[C@@H](C)O ZINC000105825647 194137867 /nfs/dbraw/zinc/13/78/67/194137867.db2.gz BIQSTQXHRMDAHU-KGLIPLIRSA-N 0 1 323.412 1.541 10 0 DDAEMN Cc1ccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105882980 194156046 /nfs/dbraw/zinc/15/60/46/194156046.db2.gz MTRXDLFGHGQPNS-HNNXBMFYSA-N 0 1 313.405 1.937 10 0 DDAEMN c1ncn([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000105899167 194163843 /nfs/dbraw/zinc/16/38/43/194163843.db2.gz YHOBKMQSACKSJV-CQSZACIVSA-N 0 1 300.362 1.886 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901066 194164086 /nfs/dbraw/zinc/16/40/86/194164086.db2.gz ADTHVBYPHNCHPN-CVEARBPZSA-N 0 1 322.453 1.760 10 0 DDAEMN Cc1cccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c1C ZINC000105932657 194173673 /nfs/dbraw/zinc/17/36/73/194173673.db2.gz REYZIVIBOKVZPV-GJZGRUSLSA-N 0 1 305.422 1.551 10 0 DDAEMN NNc1ncc(C(=O)NCCc2ccc(O)cc2)cc1Cl ZINC000051094328 183814367 /nfs/dbraw/zinc/81/43/67/183814367.db2.gz GDCVJBYLXRGSIA-UHFFFAOYSA-N 0 1 306.753 1.699 10 0 DDAEMN Cc1cccc(CC(=O)N2CCN([C@H](C)C(N)=S)CC2)c1 ZINC000109459513 194265436 /nfs/dbraw/zinc/26/54/36/194265436.db2.gz QIZOGAXADJDWPS-CYBMUJFWSA-N 0 1 305.447 1.356 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)Oc2ccccc2)CC1 ZINC000109466542 194266802 /nfs/dbraw/zinc/26/68/02/194266802.db2.gz RBSBKGAIUOXSKD-CYBMUJFWSA-N 0 1 307.419 1.868 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(c2cnc3ccccc3n2)CC1 ZINC000109471295 194267087 /nfs/dbraw/zinc/26/70/87/194267087.db2.gz PLGROKPDGHIFQH-LLVKDONJSA-N 0 1 301.419 1.426 10 0 DDAEMN NNc1[nH+]cccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000110538514 194338549 /nfs/dbraw/zinc/33/85/49/194338549.db2.gz WBUPALUOYGDLEV-UHFFFAOYSA-N 0 1 304.335 1.044 10 0 DDAEMN CCN1CCN(CC(=O)Nc2ccc(Cl)cc2N)C[C@@H]1C ZINC000110702170 194352287 /nfs/dbraw/zinc/35/22/87/194352287.db2.gz BYKUJKMKKYLWTI-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN CCN(CC)[C@H](CNS(=O)(=O)NC)c1ccc(OC)cc1 ZINC000062357715 184232381 /nfs/dbraw/zinc/23/23/81/184232381.db2.gz ZUUNTLOWGCMYIA-CQSZACIVSA-N 0 1 315.439 1.132 10 0 DDAEMN CCOCCS(=O)(=O)Nc1cccc(Br)n1 ZINC000063154091 184274272 /nfs/dbraw/zinc/27/42/72/184274272.db2.gz HQAVSMMSAHWAQX-UHFFFAOYSA-N 0 1 309.185 1.622 10 0 DDAEMN CCOCCN1CCN(C(=O)Nc2ccn(C)n2)C[C@H]1CC ZINC000120031722 195083993 /nfs/dbraw/zinc/08/39/93/195083993.db2.gz RPDUMNRGKSVHMI-CYBMUJFWSA-N 0 1 309.414 1.385 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CCCn1ccnc1 ZINC000154927829 197005619 /nfs/dbraw/zinc/00/56/19/197005619.db2.gz VLOMNNUCVQTKOQ-QGZVFWFLSA-N 0 1 314.433 1.905 10 0 DDAEMN Cn1cc(CN2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)CC[C@@H]32)cn1 ZINC000248103618 257109487 /nfs/dbraw/zinc/10/94/87/257109487.db2.gz FLBBFKMCVKNGMC-HRCADAONSA-N 0 1 318.421 1.068 10 0 DDAEMN Cc1nn(C)c(C)c1S(=O)(=O)N1CC(C)(C)NC(C)(C)C1 ZINC000521394490 257241273 /nfs/dbraw/zinc/24/12/73/257241273.db2.gz WHISGYXTNKKSFN-UHFFFAOYSA-N 0 1 314.455 1.188 10 0 DDAEMN COCCN1CCN([C@@H](C)Cc2ccc(F)cc2)CCC1=O ZINC000014992302 406878348 /nfs/dbraw/zinc/87/83/48/406878348.db2.gz AWLUQCSWUWKGIK-AWEZNQCLSA-N 0 1 308.397 1.937 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)[nH]1 ZINC000073706115 406893133 /nfs/dbraw/zinc/89/31/33/406893133.db2.gz VLVZUURSOZUCMG-VXGBXAGGSA-N 0 1 310.423 1.765 10 0 DDAEMN CC(=O)N[C@@H]1CCCN(CCOCCOc2ccccc2)C1 ZINC000076709569 406972777 /nfs/dbraw/zinc/97/27/77/406972777.db2.gz VSTWSZTXQOMPNR-MRXNPFEDSA-N 0 1 306.406 1.683 10 0 DDAEMN COc1nccnc1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095076488 407206244 /nfs/dbraw/zinc/20/62/44/407206244.db2.gz YXMSNFQKWCNMGJ-LBPRGKRZSA-N 0 1 322.409 1.832 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C(C)C)on3)CCO2)n[nH]1 ZINC000123079814 407319280 /nfs/dbraw/zinc/31/92/80/407319280.db2.gz UZELTPIFFIYGGV-GFCCVEGCSA-N 0 1 305.338 1.438 10 0 DDAEMN CN1[C@@H]2CC[C@H]1C[C@H](NC(=O)CS(=O)(=O)c1ccccc1)C2 ZINC000100243860 407307674 /nfs/dbraw/zinc/30/76/74/407307674.db2.gz YFWQISPPCPCIPW-ZSOGYDGISA-N 0 1 322.430 1.202 10 0 DDAEMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCC1CCCCC1 ZINC000105883118 407356334 /nfs/dbraw/zinc/35/63/34/407356334.db2.gz AOOJEMMNHPHJJZ-MRXNPFEDSA-N 0 1 319.453 1.687 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000112294512 407425284 /nfs/dbraw/zinc/42/52/84/407425284.db2.gz PHGVKKXPIMVIGJ-MUBLQREKSA-N 0 1 309.435 1.380 10 0 DDAEMN CCN(CC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1)C1CC1 ZINC000152434020 407633054 /nfs/dbraw/zinc/63/30/54/407633054.db2.gz LUOWKCVKNMHQRE-MRXNPFEDSA-N 0 1 320.437 1.212 10 0 DDAEMN O=c1[nH]cnc(N[C@H]2CCSC2)c1I ZINC000231356924 407696469 /nfs/dbraw/zinc/69/64/69/407696469.db2.gz QOWLJUGYAXGIRR-YFKPBYRVSA-N 0 1 323.159 1.292 10 0 DDAEMN COC[C@H](N)C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000262192490 407761855 /nfs/dbraw/zinc/76/18/55/407761855.db2.gz CJFRYJUMAOIBPG-SJORKVTESA-N 0 1 320.433 1.519 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000262241339 407772921 /nfs/dbraw/zinc/77/29/21/407772921.db2.gz HTJVHZCZWDTQKQ-HNNXBMFYSA-N 0 1 316.405 1.586 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000262303709 407790086 /nfs/dbraw/zinc/79/00/86/407790086.db2.gz OEUVICXTWOSCFY-WBVHZDCISA-N 0 1 314.385 1.875 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CCN1CCOC ZINC000117306205 407825077 /nfs/dbraw/zinc/82/50/77/407825077.db2.gz ZQXSGJPPJUJKHD-AWEZNQCLSA-N 0 1 324.425 1.270 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)CC3CCC3)CC2)C1 ZINC000173093326 407863575 /nfs/dbraw/zinc/86/35/75/407863575.db2.gz CLULOYHZJKPGCY-QGZVFWFLSA-N 0 1 323.481 1.430 10 0 DDAEMN COC[C@@H](N)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F ZINC000262564404 407867643 /nfs/dbraw/zinc/86/76/43/407867643.db2.gz RITZNNVLVPXFOL-CYBMUJFWSA-N 0 1 318.339 1.902 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173922755 407903916 /nfs/dbraw/zinc/90/39/16/407903916.db2.gz JHXGRGKPBRSUAA-ZACQAIPSSA-N 0 1 323.481 1.573 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)OCCC(C)C)C1 ZINC000262731519 407910063 /nfs/dbraw/zinc/91/00/63/407910063.db2.gz UOAJXWYXKUPPEY-HSBZDZAISA-N 0 1 314.426 1.491 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC000262837693 407953361 /nfs/dbraw/zinc/95/33/61/407953361.db2.gz STWKJGKMVWYGSU-UHFFFAOYSA-N 0 1 322.409 1.211 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262910337 407965189 /nfs/dbraw/zinc/96/51/89/407965189.db2.gz FPTPEORKWSKTHO-GMTAPVOTSA-N 0 1 324.343 1.876 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)C[C@H]1C(F)(F)F ZINC000262910234 407965960 /nfs/dbraw/zinc/96/59/60/407965960.db2.gz FMVJPUNBKYDPIZ-GHMZBOCLSA-N 0 1 322.327 1.630 10 0 DDAEMN CCn1nc(C)c(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)c1C ZINC000262767655 407922644 /nfs/dbraw/zinc/92/26/44/407922644.db2.gz GSSZSGOQTPOJND-UHFFFAOYSA-N 0 1 322.409 1.187 10 0 DDAEMN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000181363487 407984191 /nfs/dbraw/zinc/98/41/91/407984191.db2.gz ZADLLZURVZSHJE-LBPRGKRZSA-N 0 1 310.369 1.806 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1(O)CCCCC1 ZINC000174738592 407985396 /nfs/dbraw/zinc/98/53/96/407985396.db2.gz VQXMNGKHHUYIEM-MRXNPFEDSA-N 0 1 304.434 1.971 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC000245473868 407996674 /nfs/dbraw/zinc/99/66/74/407996674.db2.gz QJSKXMPECDDFLP-WBVHZDCISA-N 0 1 323.481 1.286 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000263249461 408075522 /nfs/dbraw/zinc/07/55/22/408075522.db2.gz OEFFZAYETOTPED-ZIAGYGMSSA-N 0 1 308.378 1.159 10 0 DDAEMN CO[C@H](C)CN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000182147397 408082491 /nfs/dbraw/zinc/08/24/91/408082491.db2.gz OTUUGJXEYXMOCU-HZPDHXFCSA-N 0 1 308.422 1.079 10 0 DDAEMN COCCCCCNC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000175466311 408137308 /nfs/dbraw/zinc/13/73/08/408137308.db2.gz CQORJZSIFRFJKG-LBPRGKRZSA-N 0 1 311.386 1.013 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@H](C)CC(=O)OC)C[C@@H]1CC ZINC000246138386 408150538 /nfs/dbraw/zinc/15/05/38/408150538.db2.gz WXQUWIIANWOQCB-KGLIPLIRSA-N 0 1 314.426 1.145 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)CC[C@@H]2C)C1 ZINC000263482608 408151099 /nfs/dbraw/zinc/15/10/99/408151099.db2.gz OIZJVLBWDHGBIT-FEPKRQSRSA-N 0 1 311.426 1.754 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)N[C@H](C)C3CCCC3)CCO2)n[nH]1 ZINC000175537201 408154779 /nfs/dbraw/zinc/15/47/79/408154779.db2.gz BJUSVCGZDLFUCJ-ZWNOBZJWSA-N 0 1 307.398 1.775 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000246158623 408157189 /nfs/dbraw/zinc/15/71/89/408157189.db2.gz IPKIGMBRBVEKTM-NEPJUHHUSA-N 0 1 312.360 1.421 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@@H](C)C2(C)CC2)C1 ZINC000263508832 408158399 /nfs/dbraw/zinc/15/83/99/408158399.db2.gz YDIRERQRUVWUGS-HIFPTAJRSA-N 0 1 311.426 1.754 10 0 DDAEMN Cc1cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)nc(C)n1 ZINC000263540186 408167059 /nfs/dbraw/zinc/16/70/59/408167059.db2.gz CEBRAIQVOVDZEY-UHFFFAOYSA-N 0 1 304.394 1.833 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)O1 ZINC000155726498 408200588 /nfs/dbraw/zinc/20/05/88/408200588.db2.gz PBWVNLAUROSTAL-YGRLFVJLSA-N 0 1 305.378 1.353 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CCN1C[C@H](C)O ZINC000246351056 408226135 /nfs/dbraw/zinc/22/61/35/408226135.db2.gz WARJOXPYGPACAQ-UONOGXRCSA-N 0 1 320.437 1.137 10 0 DDAEMN COC(=O)C(C)(C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000158038752 408324690 /nfs/dbraw/zinc/32/46/90/408324690.db2.gz XWFNAUUNEHADBF-CQSZACIVSA-N 0 1 306.406 1.475 10 0 DDAEMN CN(C[C@H](O)COC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246545693 408289725 /nfs/dbraw/zinc/28/97/25/408289725.db2.gz KCNVWEYALNIQOL-BFHYXJOUSA-N 0 1 321.483 1.450 10 0 DDAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NCc1cccnc1 ZINC000246820875 408348502 /nfs/dbraw/zinc/34/85/02/408348502.db2.gz JVKPJBJTHVZLGO-DOTOQJQBSA-N 0 1 303.406 1.325 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1CC ZINC000172085175 162256787 /nfs/dbraw/zinc/25/67/87/162256787.db2.gz LKCZGWBWCRMOBE-OAHLLOKOSA-N 0 1 322.453 1.528 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H]2CCCOC2)C[C@@H]1CC ZINC000172134847 162260959 /nfs/dbraw/zinc/26/09/59/162260959.db2.gz NMLNLHGLSNOPTD-CABCVRRESA-N 0 1 313.442 1.308 10 0 DDAEMN O=C(c1ccn[nH]1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176441481 408367293 /nfs/dbraw/zinc/36/72/93/408367293.db2.gz JETNTNBQBQZVLZ-LBPRGKRZSA-N 0 1 300.366 1.705 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccccc2F)CCN1C[C@H](C)O ZINC000246998572 408385002 /nfs/dbraw/zinc/38/50/02/408385002.db2.gz BIQSTQXHRMDAHU-UONOGXRCSA-N 0 1 323.412 1.541 10 0 DDAEMN COc1ccsc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173545229 162347457 /nfs/dbraw/zinc/34/74/57/162347457.db2.gz OSGAHGHLRRGUAQ-SNVBAGLBSA-N 0 1 308.363 1.397 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)n[nH]1 ZINC000173537743 162347625 /nfs/dbraw/zinc/34/76/25/162347625.db2.gz BGXBGBKPYWKSAZ-LBPRGKRZSA-N 0 1 306.753 1.980 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3nc(CCC(C)C)no3)CCO2)n[nH]1 ZINC000173658764 162353117 /nfs/dbraw/zinc/35/31/17/162353117.db2.gz NXOUOFSNILEYAF-GFCCVEGCSA-N 0 1 320.397 1.658 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cn(C(C)(C)C)nn3)CCO2)n[nH]1 ZINC000191155200 408377723 /nfs/dbraw/zinc/37/77/23/408377723.db2.gz AHSDHYJJSNHEBT-LBPRGKRZSA-N 0 1 319.413 1.287 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000246998827 408383448 /nfs/dbraw/zinc/38/34/48/408383448.db2.gz BJDCOKZIGIMKRU-IRXDYDNUSA-N 0 1 322.449 1.387 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2ccc(Br)o2)C[C@H]1C ZINC000191335954 408408666 /nfs/dbraw/zinc/40/86/66/408408666.db2.gz WUCAAFMRXGKLPE-GHMZBOCLSA-N 0 1 317.227 1.929 10 0 DDAEMN CC[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CCN1CCOC ZINC000247125393 408412070 /nfs/dbraw/zinc/41/20/70/408412070.db2.gz OEQVPPQZUWHGHD-HZPDHXFCSA-N 0 1 312.454 1.905 10 0 DDAEMN CC(C)c1nnc(CCC(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000176671680 408415819 /nfs/dbraw/zinc/41/58/19/408415819.db2.gz ITCLPNSDVUFRLJ-ZDUSSCGKSA-N 0 1 306.410 1.822 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247165592 408421296 /nfs/dbraw/zinc/42/12/96/408421296.db2.gz QRLUPBFTCRBAAF-HZPDHXFCSA-N 0 1 309.454 1.184 10 0 DDAEMN CCCCNC(=O)[C@H](C)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247185777 408424157 /nfs/dbraw/zinc/42/41/57/408424157.db2.gz NWGOBJOTRBYFOR-GJZGRUSLSA-N 0 1 319.453 1.682 10 0 DDAEMN CCCCc1noc([C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000247203581 408427149 /nfs/dbraw/zinc/42/71/49/408427149.db2.gz PDTRDJNEFLFPCT-RDBSUJKOSA-N 0 1 310.442 1.860 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1F ZINC000247510118 408484055 /nfs/dbraw/zinc/48/40/55/408484055.db2.gz VTXNLNVEEIHRKP-QWRGUYRKSA-N 0 1 316.373 1.822 10 0 DDAEMN Cc1nccc(N2CCN(C[C@@](C)(O)c3ccccc3)CC2)n1 ZINC000183791584 408489332 /nfs/dbraw/zinc/48/93/32/408489332.db2.gz UBFBFRCCIDGMMD-GOSISDBHSA-N 0 1 312.417 1.815 10 0 DDAEMN CC(C)S(=O)(=O)CCCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247936734 408516679 /nfs/dbraw/zinc/51/66/79/408516679.db2.gz CPKFZCVXPDVKHD-GJZGRUSLSA-N 0 1 303.468 1.827 10 0 DDAEMN C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000177224312 408554553 /nfs/dbraw/zinc/55/45/53/408554553.db2.gz QYPJPJUWVLXPSP-WBVHZDCISA-N 0 1 323.481 1.430 10 0 DDAEMN CCc1n[nH]c(=O)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1CC ZINC000177457198 408624016 /nfs/dbraw/zinc/62/40/16/408624016.db2.gz DCFNLTOHDSBQJR-GFCCVEGCSA-N 0 1 318.421 1.205 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2ccc(Br)o2)C[C@@H]1C ZINC000248906792 408658011 /nfs/dbraw/zinc/65/80/11/408658011.db2.gz WUCAAFMRXGKLPE-QWRGUYRKSA-N 0 1 317.227 1.929 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000195054571 408809569 /nfs/dbraw/zinc/80/95/69/408809569.db2.gz ZPSVDEKGAZRFNY-GFCCVEGCSA-N 0 1 314.430 1.295 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)NCCc2nnc(-c3ccccc3)[nH]2)O1 ZINC000162960115 408748735 /nfs/dbraw/zinc/74/87/35/408748735.db2.gz TXIVXHVDIURWQC-YPMHNXCESA-N 0 1 300.362 1.698 10 0 DDAEMN CCc1nnc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)n1C ZINC000249853716 408770100 /nfs/dbraw/zinc/77/01/00/408770100.db2.gz CNSMTOUTEXULIE-RBSFLKMASA-N 0 1 321.469 1.451 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000195175189 163310473 /nfs/dbraw/zinc/31/04/73/163310473.db2.gz XTOOOICUVUINNU-HNNXBMFYSA-N 0 1 300.443 1.354 10 0 DDAEMN O=C(CNC(=O)c1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000195319598 163315790 /nfs/dbraw/zinc/31/57/90/163315790.db2.gz FZRPJDXNIQRDMV-GFCCVEGCSA-N 0 1 307.419 1.175 10 0 DDAEMN CC(C)c1nnc2n1C[C@@H](N[C@H](C(N)=O)c1ccccc1)CC2 ZINC000195402469 163320349 /nfs/dbraw/zinc/32/03/49/163320349.db2.gz YRVAEFITZMWOOM-ZFWWWQNUSA-N 0 1 313.405 1.533 10 0 DDAEMN Cc1cnc([C@H](C)NC[C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000230642162 163348914 /nfs/dbraw/zinc/34/89/14/163348914.db2.gz IQAMYUMTGMXAJW-NWDGAFQWSA-N 0 1 301.412 1.305 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CSC(F)(F)F)C1 ZINC000262760347 163875818 /nfs/dbraw/zinc/87/58/18/163875818.db2.gz ZOFBLRUREHCCPN-UHFFFAOYSA-N 0 1 314.329 1.293 10 0 DDAEMN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cnc[nH]1 ZINC000192779425 418526686 /nfs/dbraw/zinc/52/66/86/418526686.db2.gz REVMCYWRRSHRQE-XBFCOCLRSA-N 0 1 305.378 1.675 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000195206884 222193165 /nfs/dbraw/zinc/19/31/65/222193165.db2.gz BCZIEKFOBNXHEI-ZIAGYGMSSA-N 0 1 308.413 1.825 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000375079937 418600408 /nfs/dbraw/zinc/60/04/08/418600408.db2.gz JDOXVWWSXYLTOQ-XHBSWPGZSA-N 0 1 304.394 1.063 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000375079937 418600412 /nfs/dbraw/zinc/60/04/12/418600412.db2.gz JDOXVWWSXYLTOQ-XHBSWPGZSA-N 0 1 304.394 1.063 10 0 DDAEMN CC[C@H]1CN(C(=O)/C=C\c2cccc(O)c2)CCN1CCOC ZINC000492766073 420657084 /nfs/dbraw/zinc/65/70/84/420657084.db2.gz REPPQSDRDDVCAF-PTZVLDCSSA-N 0 1 318.417 1.975 10 0 DDAEMN COc1cccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583616571 422199377 /nfs/dbraw/zinc/19/93/77/422199377.db2.gz NRACUOOTICOZCO-PBHICJAKSA-N 0 1 312.373 1.547 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(Cc2cncc(Br)c2)C1 ZINC000583617325 422203002 /nfs/dbraw/zinc/20/30/02/422203002.db2.gz NJXXDGGIZYNWCL-GFCCVEGCSA-N 0 1 324.182 1.056 10 0 DDAEMN CCN(CC)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630654821 422242483 /nfs/dbraw/zinc/24/24/83/422242483.db2.gz DOSGSMQXBFWUTC-GJZGRUSLSA-N 0 1 304.390 1.973 10 0 DDAEMN CCN(CC)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630654821 422242488 /nfs/dbraw/zinc/24/24/88/422242488.db2.gz DOSGSMQXBFWUTC-GJZGRUSLSA-N 0 1 304.390 1.973 10 0 DDAEMN CC1CCN(CC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000137076249 275936795 /nfs/dbraw/zinc/93/67/95/275936795.db2.gz XDACCFVDLDNFDB-ZDUSSCGKSA-N 0 1 309.435 1.775 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262508159 279342956 /nfs/dbraw/zinc/34/29/56/279342956.db2.gz OLPJYFWTGGWWMM-UONOGXRCSA-N 0 1 313.442 1.113 10 0 DDAEMN CC[C@@](C)(NC[C@H](O)CN1CCCC1=O)c1nc(C)cs1 ZINC000126744617 281251118 /nfs/dbraw/zinc/25/11/18/281251118.db2.gz BAOKMKUIEGOWQX-SWLSCSKDSA-N 0 1 311.451 1.650 10 0 DDAEMN CCc1ccc(CC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246700677 282007538 /nfs/dbraw/zinc/00/75/38/282007538.db2.gz KABFREQAJOKHQH-CABCVRRESA-N 0 1 304.434 1.705 10 0 DDAEMN C[C@@H](O)CN1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000302572043 533705240 /nfs/dbraw/zinc/70/52/40/533705240.db2.gz ZKYNTQDFOFXODB-CYBMUJFWSA-N 0 1 316.380 1.786 10 0 DDAEMN C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccccc1O ZINC000251727085 484247413 /nfs/dbraw/zinc/24/74/13/484247413.db2.gz KDYYBBWAHCGNDO-STQMWFEESA-N 0 1 310.419 1.640 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H](C3CC3)C2)C1 ZINC000263500149 484275979 /nfs/dbraw/zinc/27/59/79/484275979.db2.gz VDHSHNXBAUANOV-NFOMZHRRSA-N 0 1 323.437 1.756 10 0 DDAEMN NC(=O)c1cnccc1NC[C@H](O)c1ccc(OC(F)F)cc1 ZINC000302211350 534508810 /nfs/dbraw/zinc/50/88/10/534508810.db2.gz GSQXVLUVFWKJQD-ZDUSSCGKSA-N 0 1 323.299 1.927 10 0 DDAEMN O=C(C[C@@H]1CCCCC(=O)N1)N1CCN(C2CCOCC2)CC1 ZINC000328677225 534685467 /nfs/dbraw/zinc/68/54/67/534685467.db2.gz SBRBXUFKSHFCND-AWEZNQCLSA-N 0 1 323.437 1.599 10 0 DDAEMN COCCN1CCN(Cn2c3cc(C)ccc3oc2=O)C[C@H]1C ZINC000117322427 696670429 /nfs/dbraw/zinc/67/04/29/696670429.db2.gz YEODIRYZCHTLPS-CQSZACIVSA-N 0 1 319.405 1.513 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)C[C@H]2CSCCS2)C[C@@H]1C ZINC000246858127 698356303 /nfs/dbraw/zinc/35/63/03/698356303.db2.gz VXFPUGJRTCFLSB-AVGNSLFASA-N 0 1 318.508 1.139 10 0 DDAEMN C[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000247397648 698365867 /nfs/dbraw/zinc/36/58/67/698365867.db2.gz YAQWJHNJDCAKME-MKBNYLNASA-N 0 1 314.376 1.385 10 0 DDAEMN Cc1nc(N)sc1-c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000252551014 698402775 /nfs/dbraw/zinc/40/27/75/698402775.db2.gz PJNSEGPDWGWVPW-IUCAKERBSA-N 0 1 307.379 1.619 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCC[C@H]1O ZINC000262317387 698464324 /nfs/dbraw/zinc/46/43/24/698464324.db2.gz QKUASQXHHAQNTF-DIOULYMOSA-N 0 1 301.390 1.315 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000262739945 698479033 /nfs/dbraw/zinc/47/90/33/698479033.db2.gz WDNNJDJIAWQLQJ-UHFFFAOYSA-N 0 1 317.389 1.626 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC000262737138 698479084 /nfs/dbraw/zinc/47/90/84/698479084.db2.gz VQTJAUCNPWRKTI-VCANKDNSSA-N 0 1 322.380 1.983 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000263018968 698488376 /nfs/dbraw/zinc/48/83/76/698488376.db2.gz ZTRPYFRVOWLURD-GDBMZVCRSA-N 0 1 316.401 1.724 10 0 DDAEMN CC[C@H](C)OCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263451173 698507642 /nfs/dbraw/zinc/50/76/42/698507642.db2.gz SMVWMNKRUMIVRD-XGNXJENSSA-N 0 1 312.410 1.245 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2c(C)cc(OC)nc2C)C1 ZINC000263516658 698510927 /nfs/dbraw/zinc/51/09/27/698510927.db2.gz OZVGTDXPHCKZLH-UHFFFAOYSA-N 0 1 321.421 1.734 10 0 DDAEMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000309688642 698665724 /nfs/dbraw/zinc/66/57/24/698665724.db2.gz UFLLYFLPYZIUKD-SJLPKXTDSA-N 0 1 321.417 1.997 10 0 DDAEMN O=C(c1ccc(Br)cn1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720642899 699307111 /nfs/dbraw/zinc/30/71/11/699307111.db2.gz OJRJUWXAXAXCMS-VIFPVBQESA-N 0 1 323.154 1.335 10 0 DDAEMN Cn1cc(O[C@@H]2COC[C@@H]2NCc2cccc3c2OCO3)cn1 ZINC000862494923 705723363 /nfs/dbraw/zinc/72/33/63/705723363.db2.gz UDSMKLOYKNWLAX-DZGCQCFKSA-N 0 1 317.345 1.085 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(Cc3csnn3)C2)ccn1 ZINC000886041108 708687083 /nfs/dbraw/zinc/68/70/83/708687083.db2.gz QGELNLNYEXRKQX-HNNXBMFYSA-N 0 1 319.434 1.648 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N[C@H](C)c3cc(O)n[nH]3)cc12 ZINC000898866441 708897789 /nfs/dbraw/zinc/89/77/89/708897789.db2.gz GPSOEEFEZPXTSD-SSDOTTSWSA-N 0 1 305.363 1.863 10 0 DDAEMN Cn1cc([C@H]2CN(c3nc(Cl)nc4[nH]cnc43)CCO2)cn1 ZINC000892856207 710513375 /nfs/dbraw/zinc/51/33/75/710513375.db2.gz GCXVFKYCGXFELB-SECBINFHSA-N 0 1 319.756 1.318 10 0 DDAEMN C[C@H](c1ccc(F)nc1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000930425018 713831707 /nfs/dbraw/zinc/83/17/07/713831707.db2.gz IFTXCYAYOVNGHK-DYVFJYSZSA-N 0 1 321.396 1.731 10 0 DDAEMN CCCS(=O)(=O)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000081939338 192343179 /nfs/dbraw/zinc/34/31/79/192343179.db2.gz MDYYHXUSUKWCHY-CYBMUJFWSA-N 0 1 313.419 1.933 10 0 DDAEMN CN[C@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CCOC ZINC000081943180 192343606 /nfs/dbraw/zinc/34/36/06/192343606.db2.gz VDBLEUVBOUSBNI-GJZGRUSLSA-N 0 1 313.419 1.332 10 0 DDAEMN CCC[C@@H]1CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000079340470 185165815 /nfs/dbraw/zinc/16/58/15/185165815.db2.gz ORGFFVQWXCWXCP-CHWSQXEVSA-N 0 1 304.456 1.177 10 0 DDAEMN CCOc1ccc([C@@H](CS(=O)(=O)CCOC)NC)cc1 ZINC000081944912 192345599 /nfs/dbraw/zinc/34/55/99/192345599.db2.gz ITOBHQFVLYVAGL-CQSZACIVSA-N 0 1 301.408 1.407 10 0 DDAEMN Nc1ccc(Cl)c(S(=O)(=O)NCCc2cnc[nH]2)c1 ZINC000087537929 185227933 /nfs/dbraw/zinc/22/79/33/185227933.db2.gz UYLKSGIWJBRCQT-UHFFFAOYSA-N 0 1 300.771 1.166 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+]([C@@H]2CCCS(=O)(=O)C2)Cc2ccccc21 ZINC000087615786 185229277 /nfs/dbraw/zinc/22/92/77/185229277.db2.gz GTEPQKNKGPYKJC-TZMCWYRMSA-N 0 1 309.387 1.248 10 0 DDAEMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2CCCS(=O)(=O)C2)Cc2ccccc21 ZINC000087615786 185229278 /nfs/dbraw/zinc/22/92/78/185229278.db2.gz GTEPQKNKGPYKJC-TZMCWYRMSA-N 0 1 309.387 1.248 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975524 192347764 /nfs/dbraw/zinc/34/77/64/192347764.db2.gz AOXYIYVLJOKVAG-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000188514636 539251263 /nfs/dbraw/zinc/25/12/63/539251263.db2.gz HUCKAWHVRVQMNQ-MEDUHNTESA-N 0 1 300.362 1.725 10 0 DDAEMN Nc1c2nccnc2sc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000088642431 185261267 /nfs/dbraw/zinc/26/12/67/185261267.db2.gz HGZSJLVJZLLDCY-QMMMGPOBSA-N 0 1 303.391 1.240 10 0 DDAEMN Brc1cnc2c(c1)nccc2NC[C@H]1COCCN1 ZINC000232456650 539267064 /nfs/dbraw/zinc/26/70/64/539267064.db2.gz RGHZGMHWBXPOFC-JTQLQIEISA-N 0 1 323.194 1.793 10 0 DDAEMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000088876150 185267859 /nfs/dbraw/zinc/26/78/59/185267859.db2.gz CXFVGLJWBNCEGT-UHFFFAOYSA-N 0 1 316.398 1.033 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000088887506 185269504 /nfs/dbraw/zinc/26/95/04/185269504.db2.gz KCALYLFLQIDZPD-GXSJLCMTSA-N 0 1 301.412 1.410 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC[C@@H]2Cc3ccccc32)C[C@@H]1C ZINC000248654377 539272379 /nfs/dbraw/zinc/27/23/79/539272379.db2.gz VVUPQFQACVYLOT-DZKIICNBSA-N 0 1 317.433 1.423 10 0 DDAEMN Nc1nc2cc(Br)ccc2n1[C@@H]1CCC(=O)NC1=O ZINC000090018252 185278368 /nfs/dbraw/zinc/27/83/68/185278368.db2.gz IWABAGOAZAWJOO-SECBINFHSA-N 0 1 323.150 1.359 10 0 DDAEMN CC[N@@H+](Cc1ccc(Br)o1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090474790 185298506 /nfs/dbraw/zinc/29/85/06/185298506.db2.gz IQWKSXBUIYQBHI-UWVGGRQHSA-N 0 1 318.167 1.964 10 0 DDAEMN CCC[N@H+](Cc1ncc(Cl)n1C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090530995 185301190 /nfs/dbraw/zinc/30/11/90/185301190.db2.gz PECXDTYUJXWBEU-VHSXEESVSA-N 0 1 301.774 1.385 10 0 DDAEMN CCC[N@@H+](Cc1ncc(Cl)n1C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090530995 185301191 /nfs/dbraw/zinc/30/11/91/185301191.db2.gz PECXDTYUJXWBEU-VHSXEESVSA-N 0 1 301.774 1.385 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(N)ccc1F ZINC000092622739 185329847 /nfs/dbraw/zinc/32/98/47/185329847.db2.gz SUFKNJUQEZADEK-GFCCVEGCSA-N 0 1 315.414 1.513 10 0 DDAEMN CC[C@H]1CN(S(=O)(=O)c2cn(CC)cn2)[C@@H](CC)CN1 ZINC000092910615 185348433 /nfs/dbraw/zinc/34/84/33/185348433.db2.gz QREXZCYHLIUDIS-RYUDHWBXSA-N 0 1 300.428 1.054 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000183956559 282307403 /nfs/dbraw/zinc/30/74/03/282307403.db2.gz WQGAMRQGXIKMNY-GUYCJALGSA-N 0 1 303.406 1.915 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000183956518 282307422 /nfs/dbraw/zinc/30/74/22/282307422.db2.gz WQGAMRQGXIKMNY-DYVFJYSZSA-N 0 1 303.406 1.915 10 0 DDAEMN NCc1nnn(C2CCCCC2)c1I ZINC000675051577 539562676 /nfs/dbraw/zinc/56/26/76/539562676.db2.gz OKKYCTBMVLICBB-UHFFFAOYSA-N 0 1 306.151 1.847 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156844 190864468 /nfs/dbraw/zinc/86/44/68/190864468.db2.gz LXJLSNXAAZZEPW-VIFPVBQESA-N 0 1 318.420 1.209 10 0 DDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnccc1N(C)C ZINC000183884813 186227598 /nfs/dbraw/zinc/22/75/98/186227598.db2.gz DQWXTYPOXZKOMA-GFCCVEGCSA-N 0 1 314.393 1.566 10 0 DDAEMN COc1ccnc(CN2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)c1 ZINC000072433470 191164961 /nfs/dbraw/zinc/16/49/61/191164961.db2.gz VABLKDFBFZHDBX-CQSZACIVSA-N 0 1 305.378 1.119 10 0 DDAEMN COc1ccc(NC(=O)CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172805388 198152491 /nfs/dbraw/zinc/15/24/91/198152491.db2.gz HUDQSCHZPFXMFX-OAHLLOKOSA-N 0 1 303.406 1.804 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)n[nH]1 ZINC000173555499 198226184 /nfs/dbraw/zinc/22/61/84/198226184.db2.gz UYLNSQVQDXZFSJ-GFCCVEGCSA-N 0 1 304.325 1.720 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)n[nH]1 ZINC000173567138 198228432 /nfs/dbraw/zinc/22/84/32/198228432.db2.gz JVNFENVBLZHUON-AWEZNQCLSA-N 0 1 314.389 1.900 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccc(Cl)n3)CCO2)n[nH]1 ZINC000173607977 198232099 /nfs/dbraw/zinc/23/20/99/198232099.db2.gz DVGADEINZUXGOS-JTQLQIEISA-N 0 1 321.768 1.629 10 0 DDAEMN CN[C@H](C)c1csc(N2CCN(c3ncccn3)CC2)n1 ZINC000080804556 192192921 /nfs/dbraw/zinc/19/29/21/192192921.db2.gz ZRMIJHNZWPMPOF-LLVKDONJSA-N 0 1 304.423 1.540 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)CCOCC)n1 ZINC000080868993 192196662 /nfs/dbraw/zinc/19/66/62/192196662.db2.gz ICHOLTHDNUKXAI-VIFPVBQESA-N 0 1 307.441 1.592 10 0 DDAEMN c1ncn([C@H]2CCCN(Cc3c[nH]nc3-c3cccnc3)C2)n1 ZINC000179469920 199041176 /nfs/dbraw/zinc/04/11/76/199041176.db2.gz LVDNUBSREZBLLO-HNNXBMFYSA-N 0 1 309.377 1.900 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000193245571 201012344 /nfs/dbraw/zinc/01/23/44/201012344.db2.gz PUPPXGPAOVSXFK-SFHVURJKSA-N 0 1 306.450 1.982 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(c2cccc(O)c2)CC1 ZINC000193364190 201039245 /nfs/dbraw/zinc/03/92/45/201039245.db2.gz CXSBXNQGQBVHTD-QGZVFWFLSA-N 0 1 308.422 1.692 10 0 DDAEMN CN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CC(O)C1 ZINC000091490276 193064452 /nfs/dbraw/zinc/06/44/52/193064452.db2.gz OTYRHOSYENPJMC-UHFFFAOYSA-N 0 1 302.296 1.745 10 0 DDAEMN CCc1nc([C@@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687392 193091310 /nfs/dbraw/zinc/09/13/10/193091310.db2.gz IWJRPYQGHLEKJM-QMMMGPOBSA-N 0 1 302.172 1.098 10 0 DDAEMN CCC[C@H](C(=O)Nc1cccc(OCC(=O)N(C)C)c1)N(C)C ZINC000094017064 193338164 /nfs/dbraw/zinc/33/81/64/193338164.db2.gz NRXWXUPIALOSLI-OAHLLOKOSA-N 0 1 321.421 1.822 10 0 DDAEMN CCc1nn(CC)c(C[C@H](O)[C@H]2CN(C)CCN2C)c1Cl ZINC000093893704 193324129 /nfs/dbraw/zinc/32/41/29/193324129.db2.gz OUXNKPRLSAUHRN-KGLIPLIRSA-N 0 1 314.861 1.268 10 0 DDAEMN C[N@@H+](CCS(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000094301273 193358235 /nfs/dbraw/zinc/35/82/35/193358235.db2.gz PORADGHABCQGHB-RWMBFGLXSA-N 0 1 319.467 1.878 10 0 DDAEMN CC(C)[C@H]1CN2CCCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094433328 193369395 /nfs/dbraw/zinc/36/93/95/193369395.db2.gz WFQNXEXJCODANL-HZPDHXFCSA-N 0 1 314.495 1.758 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000040503094 183084627 /nfs/dbraw/zinc/08/46/27/183084627.db2.gz OEZDXARCPBQQRZ-SECBINFHSA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000040503094 183084628 /nfs/dbraw/zinc/08/46/28/183084628.db2.gz OEZDXARCPBQQRZ-SECBINFHSA-N 0 1 318.420 1.209 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ncn(C)c1Cl ZINC000041679112 183216119 /nfs/dbraw/zinc/21/61/19/183216119.db2.gz FTTMKHJUFAHTIQ-UHFFFAOYSA-N 0 1 308.835 1.036 10 0 DDAEMN C[C@H]1CCC[C@](N)(c2nc3c(s2)CS(=O)(=O)CC3)C1 ZINC000042332496 183254887 /nfs/dbraw/zinc/25/48/87/183254887.db2.gz KUIKPJVJOMGVDI-TVQRCGJNSA-N 0 1 300.449 1.978 10 0 DDAEMN CC(C)N(CCCO)CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000042505965 183277679 /nfs/dbraw/zinc/27/76/79/183277679.db2.gz YHGDMQNEDOBXFL-UHFFFAOYSA-N 0 1 309.435 1.352 10 0 DDAEMN C[C@@H](C[N@@H+](C)CC(=O)NCCc1cccc(Cl)c1)C(=O)[O-] ZINC000042706473 183299376 /nfs/dbraw/zinc/29/93/76/183299376.db2.gz NVQJXBYYSRPMCX-NSHDSACASA-N 0 1 312.797 1.651 10 0 DDAEMN Cc1nn(-c2ccncc2)c(N)c1I ZINC000043665054 183377674 /nfs/dbraw/zinc/37/76/74/183377674.db2.gz ZFILYWYRWXBJMN-UHFFFAOYSA-N 0 1 300.103 1.763 10 0 DDAEMN CCN(CC)C(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802652 194132253 /nfs/dbraw/zinc/13/22/53/194132253.db2.gz DBCGIPLKBKFIGI-AWEZNQCLSA-N 0 1 305.426 1.246 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccccc2C)CCN1CCOC ZINC000105836008 194142134 /nfs/dbraw/zinc/14/21/34/194142134.db2.gz YPAMJRDJAMXLBD-MRXNPFEDSA-N 0 1 319.449 1.976 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)CCN1CCOC ZINC000105836010 194142316 /nfs/dbraw/zinc/14/23/16/194142316.db2.gz OUDWOFFIPGJOHL-QGZVFWFLSA-N 0 1 319.449 1.976 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000105883930 194157412 /nfs/dbraw/zinc/15/74/12/194157412.db2.gz ACNZPWJRACRUKJ-KGLIPLIRSA-N 0 1 307.442 1.683 10 0 DDAEMN CC[C@H]1CN([C@@H](C)C(=O)N2CCCCC2)CCN1CCOC ZINC000105914568 194168654 /nfs/dbraw/zinc/16/86/54/194168654.db2.gz BHWZBUAHNBVVQM-HOTGVXAUSA-N 0 1 311.470 1.430 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000109457875 194265275 /nfs/dbraw/zinc/26/52/75/194265275.db2.gz DQCZYWAJOSFLDR-ZDUSSCGKSA-N 0 1 305.447 1.438 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2occc2C)CC1 ZINC000109463247 194266303 /nfs/dbraw/zinc/26/63/03/194266303.db2.gz PUESZSOLMLPWND-LBPRGKRZSA-N 0 1 309.435 1.801 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2N)CCN1C ZINC000110703308 194352526 /nfs/dbraw/zinc/35/25/26/194352526.db2.gz YZFRGNSZMVLJFI-GFCCVEGCSA-N 0 1 310.829 1.887 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000061145327 184163047 /nfs/dbraw/zinc/16/30/47/184163047.db2.gz OMKORLWOGSLBBJ-UHFFFAOYSA-N 0 1 311.769 1.964 10 0 DDAEMN CCN1C(=O)C[C@H](NCc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626498 184179262 /nfs/dbraw/zinc/17/92/62/184179262.db2.gz USFINSYZHOZIDN-NSHDSACASA-N 0 1 300.280 1.942 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1c(N)cccc1Cl ZINC000061642662 184180583 /nfs/dbraw/zinc/18/05/83/184180583.db2.gz BVARXIVJEZEJBL-SNVBAGLBSA-N 0 1 317.842 1.637 10 0 DDAEMN Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000061684164 184182324 /nfs/dbraw/zinc/18/23/24/184182324.db2.gz BOCYFCZODLXNDO-UHFFFAOYSA-N 0 1 302.381 1.323 10 0 DDAEMN C[C@]1(NC2=N[C@H](Cc3ccccc3)CS2)CCS(=O)(=O)C1 ZINC000063220634 184279545 /nfs/dbraw/zinc/27/95/45/184279545.db2.gz NSVSDGZEFHZCJN-HIFRSBDPSA-N 0 1 324.471 1.867 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1cc(F)ccc1N ZINC000063051389 184268849 /nfs/dbraw/zinc/26/88/49/184268849.db2.gz BKELBEMFQGTLBG-UHFFFAOYSA-N 0 1 301.387 1.124 10 0 DDAEMN CCCN1CCN(Cc2nc3c(cnn3C)c(Cl)n2)CC1 ZINC000063077202 184269308 /nfs/dbraw/zinc/26/93/08/184269308.db2.gz INVBFWKGWBYWHT-UHFFFAOYSA-N 0 1 308.817 1.544 10 0 DDAEMN Cn1cc(CN2CC[C@@]3(C2)C[C@@H](N2CCCC2=O)CCO3)cn1 ZINC000248109471 257109749 /nfs/dbraw/zinc/10/97/49/257109749.db2.gz GTEZNGDMHNFYMJ-RDJZCZTQSA-N 0 1 318.421 1.166 10 0 DDAEMN Cc1nc(CN2CC[C@@H]3OCC[C@]3(C(=O)N(C)C)C2)cs1 ZINC000247985135 257113629 /nfs/dbraw/zinc/11/36/29/257113629.db2.gz KFWBJISNVDMVLJ-ZFWWWQNUSA-N 0 1 309.435 1.521 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114409814 407570605 /nfs/dbraw/zinc/57/06/05/407570605.db2.gz WZCWBVUZUJCIJV-WBVHZDCISA-N 0 1 312.417 1.556 10 0 DDAEMN COc1cccc(COC[C@@H](O)CN2[C@H](C)COC[C@@H]2C)c1 ZINC000077657915 407000169 /nfs/dbraw/zinc/00/01/69/407000169.db2.gz XYGPUMPXPWSRFK-LZWOXQAQSA-N 0 1 309.406 1.682 10 0 DDAEMN COc1cccc([C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)N(C)C)c1 ZINC000124580978 407362482 /nfs/dbraw/zinc/36/24/82/407362482.db2.gz WPNGDFOLUSAUIV-UHOFOFEASA-N 0 1 306.406 1.982 10 0 DDAEMN CNc1c(Cl)ncnc1N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000125048904 407377181 /nfs/dbraw/zinc/37/71/81/407377181.db2.gz MPUBRWVAYAGMTJ-QMMMGPOBSA-N 0 1 309.761 1.176 10 0 DDAEMN O=C(CN1CC[C@H](CNc2ccccn2)C1)NCC1CCC1 ZINC000108858379 407391837 /nfs/dbraw/zinc/39/18/37/407391837.db2.gz IEMQTXBOYIDCQL-OAHLLOKOSA-N 0 1 302.422 1.732 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000112294510 407425259 /nfs/dbraw/zinc/42/52/59/407425259.db2.gz PHGVKKXPIMVIGJ-IHVVCDCBSA-N 0 1 309.435 1.380 10 0 DDAEMN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000171186120 407621459 /nfs/dbraw/zinc/62/14/59/407621459.db2.gz NNHSLTBNOZEYML-IUCAKERBSA-N 0 1 320.736 1.873 10 0 DDAEMN CC(C)CN(C(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000116322601 407742646 /nfs/dbraw/zinc/74/26/46/407742646.db2.gz QVGBYSKCNXKLBO-CQSZACIVSA-N 0 1 304.438 1.856 10 0 DDAEMN Cc1ccc(C(=O)CCC(=O)N2CCO[C@@H](CN(C)C)C2)s1 ZINC000116784405 407777550 /nfs/dbraw/zinc/77/75/50/407777550.db2.gz RIIDSAGLSMTSEC-ZDUSSCGKSA-N 0 1 324.446 1.808 10 0 DDAEMN CC[C@H]1CN(C(=O)NC2CCSCC2)CCN1CCOC ZINC000172333414 407823346 /nfs/dbraw/zinc/82/33/46/407823346.db2.gz BFZJZRSNNMTRNA-AWEZNQCLSA-N 0 1 315.483 1.634 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(C)nc2)CCN1CCOC ZINC000117309382 407830489 /nfs/dbraw/zinc/83/04/89/407830489.db2.gz GSPKYGQFOQSIJI-MRXNPFEDSA-N 0 1 305.422 1.502 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nc(CCC(C)C)no2)CC1 ZINC000174071219 407914887 /nfs/dbraw/zinc/91/48/87/407914887.db2.gz NPRBSIQJLJTQNA-AWEZNQCLSA-N 0 1 310.442 1.547 10 0 DDAEMN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000262759131 407920401 /nfs/dbraw/zinc/92/04/01/407920401.db2.gz IWPOFWUTVJOBRU-CBAPKCEASA-N 0 1 308.325 1.380 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1CC1(CN2[C@H](C)COC[C@@H]2C)COC1 ZINC000119437313 408071128 /nfs/dbraw/zinc/07/11/28/408071128.db2.gz MRUPNRPTZKZAQC-GEEKYZPCSA-N 0 1 312.454 1.221 10 0 DDAEMN CCOCCN1CCN(Cc2nc(COC)no2)C[C@@H]1CC ZINC000182235991 408104080 /nfs/dbraw/zinc/10/40/80/408104080.db2.gz JPXFMBYMWYSYPF-ZDUSSCGKSA-N 0 1 312.414 1.149 10 0 DDAEMN C[C@H](O)CN1CCN([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1C ZINC000246051887 408129931 /nfs/dbraw/zinc/12/99/31/408129931.db2.gz WCWGCLGUEYRVOT-VYDXJSESSA-N 0 1 317.433 1.179 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(Cc3cncs3)CC2)C1 ZINC000121031672 408149030 /nfs/dbraw/zinc/14/90/30/408149030.db2.gz UVJZLVMMSQMXHJ-HNNXBMFYSA-N 0 1 324.494 1.370 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2OC)C1 ZINC000122192508 408263566 /nfs/dbraw/zinc/26/35/66/408263566.db2.gz DMHWCTBGEUXORQ-CYBMUJFWSA-N 0 1 319.405 1.543 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000155743687 408203201 /nfs/dbraw/zinc/20/32/01/408203201.db2.gz OZVYWQBASITVGU-HNNXBMFYSA-N 0 1 309.454 1.040 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1C[C@H](C)O ZINC000246793292 408342105 /nfs/dbraw/zinc/34/21/05/408342105.db2.gz JLSVRJDKMKDDAY-LZWOXQAQSA-N 0 1 318.417 1.466 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000171617563 162229724 /nfs/dbraw/zinc/22/97/24/162229724.db2.gz PYSLXTLFYRPHMD-CABCVRRESA-N 0 1 307.442 1.949 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)NC3CCCCC3)CCO2)n[nH]1 ZINC000173352950 162333737 /nfs/dbraw/zinc/33/37/37/162333737.db2.gz PVXMQAJPVLLLPT-FZMZJTMJSA-N 0 1 321.425 1.324 10 0 DDAEMN COc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173547663 162346984 /nfs/dbraw/zinc/34/69/84/162346984.db2.gz BRENHEITIZIICA-ZDUSSCGKSA-N 0 1 302.334 1.335 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000173548051 162347245 /nfs/dbraw/zinc/34/72/45/162347245.db2.gz ZCIUYNBKKUAYHZ-CYBMUJFWSA-N 0 1 304.325 1.395 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n[nH]1 ZINC000173549097 162347573 /nfs/dbraw/zinc/34/75/73/162347573.db2.gz FOWWTUUMRKXDFJ-LBPRGKRZSA-N 0 1 312.333 1.203 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3nc(CC(C)C)no3)CCO2)n[nH]1 ZINC000173680391 162358147 /nfs/dbraw/zinc/35/81/47/162358147.db2.gz NDTPTADRTVLABM-LLVKDONJSA-N 0 1 306.370 1.268 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)N3CCCCCC3)CCO2)n[nH]1 ZINC000246983179 408377556 /nfs/dbraw/zinc/37/75/56/408377556.db2.gz MTHGIBHDYTYGDT-TZMCWYRMSA-N 0 1 321.425 1.278 10 0 DDAEMN O=C(N[C@@H]1CCc2ncnn2C1)c1[nH]nc2c1CCCCC2 ZINC000191604946 408454271 /nfs/dbraw/zinc/45/42/71/408454271.db2.gz PIRYCWAIVBCDMW-SNVBAGLBSA-N 0 1 300.366 1.015 10 0 DDAEMN Cc1cc(N2CC[C@H](N[C@@H](CO)c3ccccc3)C2=O)n(C)n1 ZINC000183642177 408460825 /nfs/dbraw/zinc/46/08/25/408460825.db2.gz VAKAXSHUDIUAQO-GJZGRUSLSA-N 0 1 314.389 1.157 10 0 DDAEMN O=C(NC1CC1)[C@@H]1CCCN1C[C@@H](O)COCc1ccccc1 ZINC000247020373 408391032 /nfs/dbraw/zinc/39/10/32/408391032.db2.gz GBFLDBXVJRBJQI-SJORKVTESA-N 0 1 318.417 1.307 10 0 DDAEMN CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247165619 408420389 /nfs/dbraw/zinc/42/03/89/408420389.db2.gz QRLUPBFTCRBAAF-JKSUJKDBSA-N 0 1 309.454 1.184 10 0 DDAEMN CC[C@@H]1C[C@@H](C(=O)N2CCN(CCOC)[C@H](CC)C2)CCO1 ZINC000183829025 408498182 /nfs/dbraw/zinc/49/81/82/408498182.db2.gz GPVKDMKBIHQKIT-ARFHVFGLSA-N 0 1 312.454 1.761 10 0 DDAEMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCCO1 ZINC000247767173 408508400 /nfs/dbraw/zinc/50/84/00/408508400.db2.gz SNNZPUCUXNKGQI-ULQDDVLXSA-N 0 1 318.417 1.165 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247399302 408465263 /nfs/dbraw/zinc/46/52/63/408465263.db2.gz YGGUZTRVRUIJSJ-CVEARBPZSA-N 0 1 313.486 1.412 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)N1CCc2sccc2C1 ZINC000248338604 408550463 /nfs/dbraw/zinc/55/04/63/408550463.db2.gz HVLFEIGUNZIQEN-HNNXBMFYSA-N 0 1 319.474 1.803 10 0 DDAEMN Cc1csc([C@@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)n1 ZINC000177236300 408560061 /nfs/dbraw/zinc/56/00/61/408560061.db2.gz WKVFCYBZJWWUEE-LLVKDONJSA-N 0 1 305.407 1.908 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CC[C@H](N(C)C)C2)c(F)c1 ZINC000192597994 408616315 /nfs/dbraw/zinc/61/63/15/408616315.db2.gz JWOZWAYJAHFLQJ-ZDUSSCGKSA-N 0 1 300.399 1.600 10 0 DDAEMN CC[C@@](C)(O)CN(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000161905907 408650967 /nfs/dbraw/zinc/65/09/67/408650967.db2.gz FORAUNPHHPHQEV-MRXNPFEDSA-N 0 1 310.394 1.735 10 0 DDAEMN O=C1OCC[C@H]1CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177664513 408679353 /nfs/dbraw/zinc/67/93/53/408679353.db2.gz ZBEKURCHFGQDJN-IAGOWNOFSA-N 0 1 318.417 1.291 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C1 ZINC000194148592 408767836 /nfs/dbraw/zinc/76/78/36/408767836.db2.gz VQBJYKBHSYUFKY-AWEZNQCLSA-N 0 1 303.406 1.842 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000194156783 408769370 /nfs/dbraw/zinc/76/93/70/408769370.db2.gz FRFMEXWUOXQXCK-OAHLLOKOSA-N 0 1 319.405 1.372 10 0 DDAEMN O=c1[nH]cnc(Br)c1I ZINC000165985784 408815423 /nfs/dbraw/zinc/81/54/23/408815423.db2.gz FWPIIFHBBUMBEY-UHFFFAOYSA-N 0 1 300.881 1.137 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2c[nH]nc2C)C1 ZINC000285816897 408868930 /nfs/dbraw/zinc/86/89/30/408868930.db2.gz ORWWWZFAUYMNGV-PWSUYJOCSA-N 0 1 316.365 1.316 10 0 DDAEMN CC(=O)CC(C)(C)CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000191879586 163206837 /nfs/dbraw/zinc/20/68/37/163206837.db2.gz NKZCXMVEVAVDOI-GFCCVEGCSA-N 0 1 308.382 1.408 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Br)cc1C ZINC000262258604 163794861 /nfs/dbraw/zinc/79/48/61/163794861.db2.gz JFLNVAZNNPDYCF-NSHDSACASA-N 0 1 301.184 1.347 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1ccccc1OC(F)(F)F ZINC000262395240 163822581 /nfs/dbraw/zinc/82/25/81/163822581.db2.gz ZCONCMCOQUFMEO-JTQLQIEISA-N 0 1 306.284 1.218 10 0 DDAEMN CO[C@H]1C[C@@H](CN(C)C(=O)c2cncnc2C(C)C)N(C)C1 ZINC000285090120 409396568 /nfs/dbraw/zinc/39/65/68/409396568.db2.gz QCIJEPGCDPGUTC-STQMWFEESA-N 0 1 306.410 1.391 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1C[C@H](OC)C[C@@H]1CO ZINC000309883898 164005109 /nfs/dbraw/zinc/00/51/09/164005109.db2.gz YAIPHUVJPOZFCL-HZPDHXFCSA-N 0 1 306.406 1.117 10 0 DDAEMN Nc1nc(Nc2cccc(I)c2)n[nH]1 ZINC000306619838 409775966 /nfs/dbraw/zinc/77/59/66/409775966.db2.gz VZWXFQMDAFKKNN-UHFFFAOYSA-N 0 1 301.091 1.735 10 0 DDAEMN CN(CC1CCN(C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000301180641 410672436 /nfs/dbraw/zinc/67/24/36/410672436.db2.gz HOYXTZOHDLZDMA-UHFFFAOYSA-N 0 1 307.419 1.409 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cnn(C(C)(C)C)c3)CCO2)n[nH]1 ZINC000129234242 196031351 /nfs/dbraw/zinc/03/13/51/196031351.db2.gz HECCFBOBQCLCHV-ZDUSSCGKSA-N 0 1 318.425 1.892 10 0 DDAEMN Cc1c2nc(NS(=O)(=O)N(C)C)sc2c(C)c(O)c1C ZINC000039127811 418416701 /nfs/dbraw/zinc/41/67/01/418416701.db2.gz GAOXANZVESXFQB-UHFFFAOYSA-N 0 1 315.420 2.145 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(SC)CC2)CCN1CCOC ZINC000195169706 222193812 /nfs/dbraw/zinc/19/38/12/222193812.db2.gz ZCULDWKEKBGXNS-CYBMUJFWSA-N 0 1 315.483 1.634 10 0 DDAEMN CO[C@@H]1CCC[C@@H](CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)C1 ZINC000375663509 418671360 /nfs/dbraw/zinc/67/13/60/418671360.db2.gz JVNBEJUIMRYBCG-MCIONIFRSA-N 0 1 322.409 1.608 10 0 DDAEMN CCO[C@@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000401908049 418766216 /nfs/dbraw/zinc/76/62/16/418766216.db2.gz SBIZQKZBLJSFLU-WMZOPIPTSA-N 0 1 318.417 1.573 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000583616825 422200744 /nfs/dbraw/zinc/20/07/44/422200744.db2.gz TZRBRKHVYDVBSG-LBPRGKRZSA-N 0 1 313.283 1.707 10 0 DDAEMN CN1C[C@@H](Nc2ncnc3[nH]cnc32)CC[C@H]1C(F)(F)F ZINC000583616758 422200755 /nfs/dbraw/zinc/20/07/55/422200755.db2.gz NQGDENSEFKYDEA-YUMQZZPRSA-N 0 1 300.288 1.790 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000167800137 274050094 /nfs/dbraw/zinc/05/00/94/274050094.db2.gz QERSLAMJWKQKTG-WDEREUQCSA-N 0 1 300.811 1.967 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C2CCCCC2)C1 ZINC000263473690 279058041 /nfs/dbraw/zinc/05/80/41/279058041.db2.gz LZGWBJSPHXTDAG-UHFFFAOYSA-N 0 1 311.426 1.898 10 0 DDAEMN CCCCN(C[C@H](O)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000121062511 281130977 /nfs/dbraw/zinc/13/09/77/281130977.db2.gz OCQBMNDSEGYZQD-KGLIPLIRSA-N 0 1 321.483 1.452 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2cccs2)CCN1C[C@H](C)O ZINC000246821151 281131642 /nfs/dbraw/zinc/13/16/42/281131642.db2.gz LGMCBKXYKMOREU-KBPBESRZSA-N 0 1 310.463 1.984 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(F)cc2O)C[C@@H]1C ZINC000123845846 281178491 /nfs/dbraw/zinc/17/84/91/281178491.db2.gz ISENWZFHPKODBQ-LBPRGKRZSA-N 0 1 310.369 1.714 10 0 DDAEMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000247177193 289323696 /nfs/dbraw/zinc/32/36/96/289323696.db2.gz RSBPEFQYTVTTIS-QBPKDAKJSA-N 0 1 323.481 1.571 10 0 DDAEMN NC(=O)c1cnccc1NCC[S@@](=O)Cc1ccccc1 ZINC000302207808 534508852 /nfs/dbraw/zinc/50/88/52/534508852.db2.gz FGOABYAKUHBNBK-OAQYLSRUSA-N 0 1 303.387 1.541 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C(=O)[O-])c2cccs2)C1 ZINC000130055620 696793956 /nfs/dbraw/zinc/79/39/56/696793956.db2.gz IGFRNDRPLKITJO-PWSUYJOCSA-N 0 1 311.407 1.657 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2csc(C)n2)CCN1C[C@@H](C)O ZINC000174590895 697390318 /nfs/dbraw/zinc/39/03/18/697390318.db2.gz JMYCOINAILYZMK-RISCZKNCSA-N 0 1 311.451 1.298 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1Cc1cccc(Br)c1O ZINC000189088629 697571024 /nfs/dbraw/zinc/57/10/24/697571024.db2.gz WINVUPQKWSJHNS-SECBINFHSA-N 0 1 313.195 1.865 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)nc2C)C1 ZINC000192739031 697637917 /nfs/dbraw/zinc/63/79/17/697637917.db2.gz PVCLNWPGJSETKJ-LLVKDONJSA-N 0 1 324.812 1.582 10 0 DDAEMN C[C@H](C(=O)N[C@H]1CN2CCC1CC2)n1ccc(C(F)(F)F)n1 ZINC000222543835 697757515 /nfs/dbraw/zinc/75/75/15/697757515.db2.gz ZRZLIRAOVQTXAQ-KOLCDFICSA-N 0 1 316.327 1.673 10 0 DDAEMN CCO[C@@H]1C[C@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)[C@H]1SC ZINC000263504884 698510143 /nfs/dbraw/zinc/51/01/43/698510143.db2.gz LTTULAUIQFOPQN-BETDDWGKSA-N 0 1 316.467 1.423 10 0 DDAEMN CCO[C@@H]1C[C@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)[C@H]1SC ZINC000263504884 698510148 /nfs/dbraw/zinc/51/01/48/698510148.db2.gz LTTULAUIQFOPQN-BETDDWGKSA-N 0 1 316.467 1.423 10 0 DDAEMN C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720657648 699306988 /nfs/dbraw/zinc/30/69/88/699306988.db2.gz QGNDFEHCNRSCQR-DGCLKSJQSA-N 0 1 301.350 1.469 10 0 DDAEMN CC(=O)N1C[C@H](NCc2ccn(C)n2)CC[C@@H]1C(F)(F)F ZINC000886035930 708686486 /nfs/dbraw/zinc/68/64/86/708686486.db2.gz TZCYNKOAKJZETQ-VXGBXAGGSA-N 0 1 304.316 1.452 10 0 DDAEMN O=C(NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O)c1cc(F)ccc1F ZINC000888095069 709211745 /nfs/dbraw/zinc/21/17/45/709211745.db2.gz HTXGSNOXKJQGTC-ZDMBXUJBSA-N 0 1 322.315 1.367 10 0 DDAEMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)c1C ZINC000888094888 709211814 /nfs/dbraw/zinc/21/18/14/709211814.db2.gz HMSCHRJUAROSHO-QWHCGFSZSA-N 0 1 303.366 1.490 10 0 DDAEMN COc1cccnc1NC[C@H]1C[C@H](c2nc(C)n[nH]2)C[C@H]1O ZINC000888097241 709212559 /nfs/dbraw/zinc/21/25/59/709212559.db2.gz FXZNJCCHSKNDJD-QJPTWQEYSA-N 0 1 303.366 1.483 10 0 DDAEMN COc1cccnc1NC[C@H]1C[C@H](c2nnc(C)[nH]2)C[C@H]1O ZINC000888097241 709212562 /nfs/dbraw/zinc/21/25/62/709212562.db2.gz FXZNJCCHSKNDJD-QJPTWQEYSA-N 0 1 303.366 1.483 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC/C=C\c2ccccc2)[N@@H+]1C1CC1 ZINC000888101897 709214304 /nfs/dbraw/zinc/21/43/04/709214304.db2.gz RAKUNJZPQIJLJJ-HTEAGGNKSA-N 0 1 314.385 1.896 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC/C=C\c2ccccc2)[N@H+]1C1CC1 ZINC000888101897 709214306 /nfs/dbraw/zinc/21/43/06/709214306.db2.gz RAKUNJZPQIJLJJ-HTEAGGNKSA-N 0 1 314.385 1.896 10 0 DDAEMN Cc1ccc(CO[C@@H](C)C(=O)N2CCC[C@@H]2c2nn[nH]n2)cc1 ZINC000900390055 709569563 /nfs/dbraw/zinc/56/95/63/709569563.db2.gz ZVUOLOWWGNLPFQ-GXTWGEPZSA-N 0 1 315.377 1.777 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(C)nc2NC)CCN1C[C@@H](C)O ZINC000900868605 709799321 /nfs/dbraw/zinc/79/93/21/709799321.db2.gz UBVKPGNBWNYEGA-KGLIPLIRSA-N 0 1 320.437 1.349 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCN1C[C@H](C)O ZINC000248443042 282082944 /nfs/dbraw/zinc/08/29/44/282082944.db2.gz AXNSFVCNAJDXSX-BFHYXJOUSA-N 0 1 315.483 1.369 10 0 DDAEMN Cc1cccc(C(C)C)c1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000074731510 185014052 /nfs/dbraw/zinc/01/40/52/185014052.db2.gz BNHFJGBMLWBJQU-UHFFFAOYSA-N 0 1 301.346 1.676 10 0 DDAEMN CCCCOC[C@H](O)CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248659040 282096758 /nfs/dbraw/zinc/09/67/58/282096758.db2.gz UTYARXYJXDRKSB-QLFBSQMISA-N 0 1 321.483 1.452 10 0 DDAEMN CCOC(=O)N[C@H]1CCCN(C[C@@H](O)COC(C)(C)C)C1 ZINC000248771204 282107920 /nfs/dbraw/zinc/10/79/20/282107920.db2.gz RDAOFMBIFYXTSJ-QWHCGFSZSA-N 0 1 302.415 1.373 10 0 DDAEMN C[C@H](CS(C)(=O)=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000081902383 192336502 /nfs/dbraw/zinc/33/65/02/192336502.db2.gz SIHWGLQYWCJLRN-ZJUUUORDSA-N 0 1 312.391 1.101 10 0 DDAEMN CC[C@@H]1CN(c2ncnc(Cl)c2NC)CCN1C[C@H](C)O ZINC000302226266 529403333 /nfs/dbraw/zinc/40/33/33/529403333.db2.gz SPBNHQHWSNXAIO-WDEREUQCSA-N 0 1 313.833 1.453 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000132627051 539189444 /nfs/dbraw/zinc/18/94/44/539189444.db2.gz VQCYNPGVMWCVME-IXDOHACOSA-N 0 1 304.434 1.827 10 0 DDAEMN COCc1nc(CC(C)C)c(I)c(=O)[nH]1 ZINC000087522390 185227578 /nfs/dbraw/zinc/22/75/78/185227578.db2.gz CGMBHMAKFJNYRF-UHFFFAOYSA-N 0 1 322.146 1.719 10 0 DDAEMN Nc1ccc(Cl)cc1S(=O)(=O)NCCc1cnc[nH]1 ZINC000087538134 185228246 /nfs/dbraw/zinc/22/82/46/185228246.db2.gz XPQXVQBGROVTNF-UHFFFAOYSA-N 0 1 300.771 1.166 10 0 DDAEMN CC[C@H]1CCCN(C(=O)c2[nH]nc(C)c2S(N)(=O)=O)CC1 ZINC000087900936 185236680 /nfs/dbraw/zinc/23/66/80/185236680.db2.gz BEFJVRXONRDGBI-JTQLQIEISA-N 0 1 314.411 1.018 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(I)c1 ZINC000088002575 185238072 /nfs/dbraw/zinc/23/80/72/185238072.db2.gz BXMVYRBAMZIWCD-SECBINFHSA-N 0 1 320.130 1.203 10 0 DDAEMN CCc1ccc([C@H](N)[C@@H](C)S(=O)(=O)CCC(=O)OC)cc1 ZINC000081974653 192348018 /nfs/dbraw/zinc/34/80/18/192348018.db2.gz DUMIZHHBSFHBRD-IAQYHMDHSA-N 0 1 313.419 1.615 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H](C)[C@H](N)c1ccc(CC)cc1 ZINC000081977253 192348074 /nfs/dbraw/zinc/34/80/74/192348074.db2.gz BMOAFCJXPZFJBP-ABAIWWIYSA-N 0 1 313.419 1.615 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000088432952 185249654 /nfs/dbraw/zinc/24/96/54/185249654.db2.gz LGDJZQNWEQOHDP-MRVPVSSYSA-N 0 1 324.328 1.330 10 0 DDAEMN COC(=O)[C@@H](CCN1CCC[C@H](C(F)(F)F)C1)NC1CC1 ZINC000088435068 185250078 /nfs/dbraw/zinc/25/00/78/185250078.db2.gz OXOZGWPQDJJIPI-CMPLNLGQSA-N 0 1 308.344 1.944 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000188514613 539251096 /nfs/dbraw/zinc/25/10/96/539251096.db2.gz HUCKAWHVRVQMNQ-BZNIZROVSA-N 0 1 300.362 1.725 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccn(C)c3C)CCO2)n[nH]1 ZINC000195286752 539263528 /nfs/dbraw/zinc/26/35/28/539263528.db2.gz ZPUKIESNZKITSV-LBPRGKRZSA-N 0 1 303.366 1.228 10 0 DDAEMN Cc1ccc(CO)cc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000088876126 185267851 /nfs/dbraw/zinc/26/78/51/185267851.db2.gz JLTDDFIRDVQQIA-UHFFFAOYSA-N 0 1 312.435 1.202 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(CO)cc1 ZINC000088892461 185269802 /nfs/dbraw/zinc/26/98/02/185269802.db2.gz MJTPLRRCPLPQGE-UHFFFAOYSA-N 0 1 314.451 1.387 10 0 DDAEMN CCC[N@H+](Cc1c(Cl)c(C)nn1C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090531128 185301146 /nfs/dbraw/zinc/30/11/46/185301146.db2.gz NUXQBRZOSPRTEB-CMPLNLGQSA-N 0 1 315.801 1.694 10 0 DDAEMN CCC[N@@H+](Cc1c(Cl)c(C)nn1C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090531128 185301147 /nfs/dbraw/zinc/30/11/47/185301147.db2.gz NUXQBRZOSPRTEB-CMPLNLGQSA-N 0 1 315.801 1.694 10 0 DDAEMN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CCOC ZINC000092388667 185315314 /nfs/dbraw/zinc/31/53/14/185315314.db2.gz JRCXZBAELKCJKX-HUUCEWRRSA-N 0 1 313.419 1.332 10 0 DDAEMN COCCNCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000092495268 185322401 /nfs/dbraw/zinc/32/24/01/185322401.db2.gz BPIFOLKVGREUEW-UHFFFAOYSA-N 0 1 313.785 1.216 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1c(N)cccc1F ZINC000092622078 185329930 /nfs/dbraw/zinc/32/99/30/185329930.db2.gz XCDAFASXZYBZMG-JTQLQIEISA-N 0 1 301.387 1.123 10 0 DDAEMN CN[C@@H]1C(=O)Nc2cc(-n3cncn3)c(Br)cc21 ZINC000092776112 185339876 /nfs/dbraw/zinc/33/98/76/185339876.db2.gz PWBKYCRHVKFMMM-JTQLQIEISA-N 0 1 308.139 1.242 10 0 DDAEMN CC(C)[C@@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1cccs1 ZINC000092780274 185340574 /nfs/dbraw/zinc/34/05/74/185340574.db2.gz LUPVKAMZYUOXML-BXUZGUMPSA-N 0 1 304.419 1.999 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N(Cc1cccs1)C1CC1 ZINC000092780466 185340631 /nfs/dbraw/zinc/34/06/31/185340631.db2.gz IGRWGUPCYJZBJQ-ZDUSSCGKSA-N 0 1 302.403 1.677 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\SCc2ccco2)C[C@H]1C ZINC000255862872 282281911 /nfs/dbraw/zinc/28/19/11/282281911.db2.gz XTQMPSHUNIBYIQ-PTENIASDSA-N 0 1 324.446 1.940 10 0 DDAEMN CN(C)c1ncncc1NC(=O)[C@@H]1CN(C)C[C@H]1C(F)(F)F ZINC000299745848 529816989 /nfs/dbraw/zinc/81/69/89/529816989.db2.gz SUYIMSDOUUQIDD-RKDXNWHRSA-N 0 1 317.315 1.221 10 0 DDAEMN NCc1ccc(S(=O)(=O)NCc2cc(F)ccc2F)s1 ZINC000111406860 185592368 /nfs/dbraw/zinc/59/23/68/185592368.db2.gz YEGKVCIIPWNTBQ-UHFFFAOYSA-N 0 1 318.370 1.964 10 0 DDAEMN O=C(NCc1ccccc1CO)c1c[nH]nc1[C@@H]1CCCCN1 ZINC000685942799 539566424 /nfs/dbraw/zinc/56/64/24/539566424.db2.gz QSKHFTNAHKQQKJ-HNNXBMFYSA-N 0 1 314.389 1.647 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1cccc(F)c1N ZINC000070445937 190894424 /nfs/dbraw/zinc/89/44/24/190894424.db2.gz LMHUORFLEAYJNP-UHFFFAOYSA-N 0 1 317.430 1.616 10 0 DDAEMN CN1C[C@H](N[C@H]2CCS(=O)(=O)c3ccccc32)CCC1=O ZINC000084063017 192399579 /nfs/dbraw/zinc/39/95/79/192399579.db2.gz PPLXLYLKIRIURE-YPMHNXCESA-N 0 1 308.403 1.116 10 0 DDAEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NCc1cccnc1 ZINC000140466589 186027055 /nfs/dbraw/zinc/02/70/55/186027055.db2.gz JVKPJBJTHVZLGO-NVXWUHKLSA-N 0 1 303.406 1.325 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000148128816 186042907 /nfs/dbraw/zinc/04/29/07/186042907.db2.gz CMZBOPYTEAHKAO-KWQFWETISA-N 0 1 301.184 1.600 10 0 DDAEMN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000173000789 198175994 /nfs/dbraw/zinc/17/59/94/198175994.db2.gz VYXBTSLHMODUFA-GDBMZVCRSA-N 0 1 320.433 1.863 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc(C)c1F ZINC000173996615 198278367 /nfs/dbraw/zinc/27/83/67/198278367.db2.gz BFNFUWKNTJISEH-GFCCVEGCSA-N 0 1 300.399 1.767 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)COc2cccc(C)c2)CC1 ZINC000174078394 198288171 /nfs/dbraw/zinc/28/81/71/198288171.db2.gz FMGNORFOFWODHL-SJORKVTESA-N 0 1 322.449 1.123 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccncc3)C2=O)n(C)n1 ZINC000174343693 198322169 /nfs/dbraw/zinc/32/21/69/198322169.db2.gz SBCGEPNPEAPBIP-ZFWWWQNUSA-N 0 1 313.405 1.970 10 0 DDAEMN NCC(=O)Nc1ccc2nc(N)nc(-c3cccc(O)c3)c2c1 ZINC000117405105 353994004 /nfs/dbraw/zinc/99/40/04/353994004.db2.gz MVVHXOUEIUSNEB-UHFFFAOYSA-N 0 1 309.329 1.482 10 0 DDAEMN CCCc1cc(C(=O)N2CCC[C@H](c3nncn3CC)C2)n[nH]1 ZINC000109995454 353958457 /nfs/dbraw/zinc/95/84/57/353958457.db2.gz RCFYOAHATSTVOW-LBPRGKRZSA-N 0 1 316.409 1.993 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000080868234 192197340 /nfs/dbraw/zinc/19/73/40/192197340.db2.gz KTIMCHKNIQCFAI-BDAKNGLRSA-N 0 1 305.425 1.344 10 0 DDAEMN Cc1cc(S(=O)(=O)N(C)Cc2ccncc2)sc1CN ZINC000088961866 192670945 /nfs/dbraw/zinc/67/09/45/192670945.db2.gz RADCIRZLQKUNMI-UHFFFAOYSA-N 0 1 311.432 1.731 10 0 DDAEMN COC(=O)[C@@H](C)CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106907165 291216146 /nfs/dbraw/zinc/21/61/46/291216146.db2.gz FUPRJJYGHOFZMP-DZGCQCFKSA-N 0 1 306.406 1.427 10 0 DDAEMN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193290829 201021660 /nfs/dbraw/zinc/02/16/60/201021660.db2.gz LWLPURUNBCSOSH-KWQFWETISA-N 0 1 306.790 1.885 10 0 DDAEMN COc1ccc([C@H](O)CNC(=O)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000262671529 203376533 /nfs/dbraw/zinc/37/65/33/203376533.db2.gz RUVVYLHWYQSFGQ-SJORKVTESA-N 0 1 314.385 1.853 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598793 193272944 /nfs/dbraw/zinc/27/29/44/193272944.db2.gz JNGPEHKHRWLVOD-CABZTGNLSA-N 0 1 305.300 1.963 10 0 DDAEMN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@@H+](C)CCS(C)(=O)=O)C1 ZINC000094301278 193358954 /nfs/dbraw/zinc/35/89/54/193358954.db2.gz VJQFQBQSVRRXMG-FRRDWIJNSA-N 0 1 305.440 1.632 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000094638191 193387220 /nfs/dbraw/zinc/38/72/20/193387220.db2.gz ZBOKDOLEXXUSCQ-QWHCGFSZSA-N 0 1 303.424 1.671 10 0 DDAEMN N[C@H](c1cc(Br)ccc1F)[C@H]1CN2CCN1CC2 ZINC000094508888 193375924 /nfs/dbraw/zinc/37/59/24/193375924.db2.gz AJHFPKIDKTURDL-CHWSQXEVSA-N 0 1 314.202 1.588 10 0 DDAEMN C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1cccc(O)c1 ZINC000021019780 182261156 /nfs/dbraw/zinc/26/11/56/182261156.db2.gz MZTDIASXNOOGIW-LLVKDONJSA-N 0 1 306.387 1.890 10 0 DDAEMN CN(Cc1cccs1)C(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC000040575190 183104627 /nfs/dbraw/zinc/10/46/27/183104627.db2.gz SHXFONMNEFRPHA-UHFFFAOYSA-N 0 1 311.407 1.392 10 0 DDAEMN CC(C)[C@H](C[N-]S(=O)(=O)c1cnc(Cl)s1)[NH+](C)C ZINC000040803528 183136239 /nfs/dbraw/zinc/13/62/39/183136239.db2.gz HRWAELPIMHDSCS-QMMMGPOBSA-N 0 1 311.860 1.661 10 0 DDAEMN CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccc(N)cc2[nH]1 ZINC000042142355 183234899 /nfs/dbraw/zinc/23/48/99/183234899.db2.gz ZWQFBXJPNICTQI-ZETCQYMHSA-N 0 1 307.379 1.471 10 0 DDAEMN [NH3+]C1CC([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000042524553 183280469 /nfs/dbraw/zinc/28/04/69/183280469.db2.gz FIQOBZWWZHMDSA-UHFFFAOYSA-N 0 1 311.226 1.279 10 0 DDAEMN COc1ccc(Br)c(C(=O)N[C@@H]2CCN(C)C2)c1 ZINC000042374793 183260795 /nfs/dbraw/zinc/26/07/95/183260795.db2.gz XZBPPCPBRCRLPE-SECBINFHSA-N 0 1 313.195 1.892 10 0 DDAEMN Cc1noc(C)c1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284948536 218247121 /nfs/dbraw/zinc/24/71/21/218247121.db2.gz DXPXUCANTITEHP-INIZCTEOSA-N 0 1 319.409 1.947 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc3ccccn3c2)C1 ZINC000284948733 218247244 /nfs/dbraw/zinc/24/72/44/218247244.db2.gz KFPUFVSOJRJZES-KGLIPLIRSA-N 0 1 311.345 1.660 10 0 DDAEMN CC(C)(C)NC(=O)NC(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105886161 194157452 /nfs/dbraw/zinc/15/74/52/194157452.db2.gz CHGMPRPDGAWVCJ-UHFFFAOYSA-N 0 1 321.425 1.219 10 0 DDAEMN CSc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000105933058 194173586 /nfs/dbraw/zinc/17/35/86/194173586.db2.gz SGBVMRWUXCSDOV-JSGCOSHPSA-N 0 1 323.462 1.656 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000109465701 194266583 /nfs/dbraw/zinc/26/65/83/194266583.db2.gz YBPKPJTWZSMTTP-UHFFFAOYSA-N 0 1 307.419 1.215 10 0 DDAEMN CC(C)n1c(SCC(=O)[O-])nnc1N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110732683 194354495 /nfs/dbraw/zinc/35/44/95/194354495.db2.gz GXXNEZAHDIOQPI-JTQLQIEISA-N 0 1 313.427 1.176 10 0 DDAEMN CN(Cc1nc(=NN)c2ccsc2[nH]1)C[C@@H]1CCCOC1 ZINC000111171000 194398468 /nfs/dbraw/zinc/39/84/68/194398468.db2.gz DQAKJZOWETYWRZ-JTQLQIEISA-N 0 1 307.423 1.835 10 0 DDAEMN COC[C@H](C)NC(=O)CNCc1ccccc1C(F)(F)F ZINC000061626588 184179278 /nfs/dbraw/zinc/17/92/78/184179278.db2.gz SSXZYZCKWSHCKT-JTQLQIEISA-N 0 1 304.312 1.946 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(N)ccc1F ZINC000061642585 184180243 /nfs/dbraw/zinc/18/02/43/184180243.db2.gz XFWOXOZEOPDKMS-NSHDSACASA-N 0 1 301.387 1.123 10 0 DDAEMN CN(CCNS(=O)(=O)c1ccc2c(c1)CCCN2)C1CC1 ZINC000062010802 184201329 /nfs/dbraw/zinc/20/13/29/184201329.db2.gz NXIKQVUUTHUVSK-UHFFFAOYSA-N 0 1 309.435 1.417 10 0 DDAEMN O=C([O-])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000062133395 184207669 /nfs/dbraw/zinc/20/76/69/184207669.db2.gz RATLMMLKUDMOQV-QMMMGPOBSA-N 0 1 300.717 1.824 10 0 DDAEMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000062133395 184207671 /nfs/dbraw/zinc/20/76/71/184207671.db2.gz RATLMMLKUDMOQV-QMMMGPOBSA-N 0 1 300.717 1.824 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000063054580 184268788 /nfs/dbraw/zinc/26/87/88/184268788.db2.gz GHHLQQIAADTZIS-UHFFFAOYSA-N 0 1 309.435 1.371 10 0 DDAEMN Cc1nnc(SCc2nc3c(cnn3C)c(NN)n2)s1 ZINC000063084357 184269795 /nfs/dbraw/zinc/26/97/95/184269795.db2.gz FCAGAQXECDJSRW-UHFFFAOYSA-N 0 1 308.396 1.101 10 0 DDAEMN O=S(=O)(Cc1ccccc1Cl)N1CCc2nc[nH]c2C1 ZINC000065164427 184313112 /nfs/dbraw/zinc/31/31/12/184313112.db2.gz UELBCLPPTZTDFC-UHFFFAOYSA-N 0 1 311.794 1.951 10 0 DDAEMN CN1[C@H]2CN(Cc3ccco3)C[C@H]2C[C@H]1C(=O)NCC1CC1 ZINC000248033798 257110479 /nfs/dbraw/zinc/11/04/79/257110479.db2.gz MAEMKQDLWDBZFY-KBMXLJTQSA-N 0 1 303.406 1.310 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccsc2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247756339 257118491 /nfs/dbraw/zinc/11/84/91/257118491.db2.gz DQDDEVGPXKWQSD-KFWWJZLASA-N 0 1 322.430 1.749 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NC3CCCC3)C2)n1 ZINC000105884838 407356812 /nfs/dbraw/zinc/35/68/12/407356812.db2.gz GZGKKNLNYPVJJP-OAHLLOKOSA-N 0 1 319.453 1.666 10 0 DDAEMN CC(C)CN(C(=O)CN1CCC[C@@H](Cn2cncn2)C1)C1CC1 ZINC000105884203 407356238 /nfs/dbraw/zinc/35/62/38/407356238.db2.gz RNTGZXZPKOZIHN-OAHLLOKOSA-N 0 1 319.453 1.637 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)OC(C)(C)C ZINC000106914196 407366206 /nfs/dbraw/zinc/36/62/06/407366206.db2.gz XCUGJVIJMZRXDB-HNNXBMFYSA-N 0 1 320.433 1.959 10 0 DDAEMN CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC)cc2)CCN1CCOC ZINC000109005474 407394116 /nfs/dbraw/zinc/39/41/16/407394116.db2.gz CYBWOSSQHOEYAN-QGZVFWFLSA-N 0 1 319.449 1.589 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CCC(C)CC1)CC2 ZINC000126975179 407425436 /nfs/dbraw/zinc/42/54/36/407425436.db2.gz DPKCZEZUEIMIID-AWEZNQCLSA-N 0 1 319.453 1.564 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000170873597 407542175 /nfs/dbraw/zinc/54/21/75/407542175.db2.gz NDVADQYSSATPBP-LLVKDONJSA-N 0 1 302.827 1.973 10 0 DDAEMN CCOCCN1CCN(C(=O)c2cccc(N)c2)C[C@@H]1CC ZINC000178777531 407599155 /nfs/dbraw/zinc/59/91/55/407599155.db2.gz RZIXRBLQMOLGGE-INIZCTEOSA-N 0 1 305.422 1.842 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)[nH]1 ZINC000129366780 407603893 /nfs/dbraw/zinc/60/38/93/407603893.db2.gz YFZOYNIDJCCLOI-AAEUAGOBSA-N 0 1 317.324 1.410 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)n[nH]1 ZINC000152254607 407594257 /nfs/dbraw/zinc/59/42/57/407594257.db2.gz LJTVNIIMCYGXIU-GFCCVEGCSA-N 0 1 319.409 1.640 10 0 DDAEMN CCn1nccc1CN[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179011868 407690425 /nfs/dbraw/zinc/69/04/25/407690425.db2.gz PUCSTJOGBKBUGV-AWEZNQCLSA-N 0 1 316.409 1.230 10 0 DDAEMN CCn1cc(CN2CCCN(Cc3cnc(N)s3)CC2)cn1 ZINC000262030898 407717299 /nfs/dbraw/zinc/71/72/99/407717299.db2.gz OBRDMVAYCZJMCH-UHFFFAOYSA-N 0 1 320.466 1.650 10 0 DDAEMN Cc1cccc(-c2n[nH]c(=O)o2)c1I ZINC000235894970 407724561 /nfs/dbraw/zinc/72/45/61/407724561.db2.gz LQUBFNVDIJTRSA-UHFFFAOYSA-N 0 1 302.071 1.943 10 0 DDAEMN CNC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1F)C(C)C ZINC000178930535 407661665 /nfs/dbraw/zinc/66/16/65/407661665.db2.gz ZPOACBVBWLPBNS-SNVBAGLBSA-N 0 1 306.334 1.014 10 0 DDAEMN CC(C)Oc1cc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000179131156 407731359 /nfs/dbraw/zinc/73/13/59/407731359.db2.gz JVASECMZJKRDJO-HNNXBMFYSA-N 0 1 318.421 1.858 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000262190382 407763179 /nfs/dbraw/zinc/76/31/79/407763179.db2.gz YJVOPOCNFDAEHO-CQSZACIVSA-N 0 1 315.373 1.456 10 0 DDAEMN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCN2CCCC[C@H]2C1 ZINC000171792462 407770838 /nfs/dbraw/zinc/77/08/38/407770838.db2.gz ZBMCNKQEUDSYMO-AWEZNQCLSA-N 0 1 315.417 1.564 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000262241342 407772949 /nfs/dbraw/zinc/77/29/49/407772949.db2.gz HTJVHZCZWDTQKQ-OAHLLOKOSA-N 0 1 316.405 1.586 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000262275463 407782037 /nfs/dbraw/zinc/78/20/37/407782037.db2.gz LAHPIROPCHLEDY-QMMMGPOBSA-N 0 1 312.420 1.796 10 0 DDAEMN COC[C@H](N)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000262319357 407798486 /nfs/dbraw/zinc/79/84/86/407798486.db2.gz QDUCLCWDAAWIQG-NSHDSACASA-N 0 1 303.189 1.852 10 0 DDAEMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](N)COC ZINC000262328196 407800134 /nfs/dbraw/zinc/80/01/34/407800134.db2.gz RIJYEFMKFAKJBG-HNNXBMFYSA-N 0 1 320.437 1.120 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCn2cccn2)C[C@@H]1CC ZINC000172138151 407806873 /nfs/dbraw/zinc/80/68/73/407806873.db2.gz GDBKKXIQPGWEKM-HNNXBMFYSA-N 0 1 323.441 1.025 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000262354571 407808226 /nfs/dbraw/zinc/80/82/26/407808226.db2.gz UUZXTONGQNONIG-VIFPVBQESA-N 0 1 313.810 1.582 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000262408304 407828073 /nfs/dbraw/zinc/82/80/73/407828073.db2.gz QINGEPCNSBMVRY-CYBMUJFWSA-N 0 1 307.375 1.634 10 0 DDAEMN CCOCCN1CCN(Cc2cccc3nccn32)C[C@@H]1C ZINC000180086631 407853252 /nfs/dbraw/zinc/85/32/52/407853252.db2.gz IWAVQOCJXDSABV-HNNXBMFYSA-N 0 1 302.422 1.877 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262514231 407854908 /nfs/dbraw/zinc/85/49/08/407854908.db2.gz KXZFVYVEZHADRQ-ZDUSSCGKSA-N 0 1 313.442 1.114 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000262544707 407862123 /nfs/dbraw/zinc/86/21/23/407862123.db2.gz NUWBRWZKRGBVJV-NSHDSACASA-N 0 1 306.391 1.350 10 0 DDAEMN CCOC(=O)[C@@H](c1ccccc1)N1CCN(C[C@@H](O)CC)CC1 ZINC000173459689 407882181 /nfs/dbraw/zinc/88/21/81/407882181.db2.gz PLZRNHMZRAKWNG-DLBZAZTESA-N 0 1 320.433 1.679 10 0 DDAEMN COC[C@@H](C)CC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262719565 407907132 /nfs/dbraw/zinc/90/71/32/407907132.db2.gz OXZGIMCMSYPXNU-XGNXJENSSA-N 0 1 312.410 1.103 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000118857461 407953836 /nfs/dbraw/zinc/95/38/36/407953836.db2.gz ZPIFIHIPYVXFEC-XHSDSOJGSA-N 0 1 311.470 1.164 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000118857915 407959619 /nfs/dbraw/zinc/95/96/19/407959619.db2.gz FYTJGTIMMOCSCQ-KRWDZBQOSA-N 0 1 323.481 1.382 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262902664 407966190 /nfs/dbraw/zinc/96/61/90/407966190.db2.gz IITOOHMPKCYOEP-ZIAGYGMSSA-N 0 1 314.426 1.589 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000119275850 408029012 /nfs/dbraw/zinc/02/90/12/408029012.db2.gz FSNRAHYVHIJXHQ-AEFFLSMTSA-N 0 1 320.433 1.065 10 0 DDAEMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000262964295 407986646 /nfs/dbraw/zinc/98/66/46/407986646.db2.gz LAJYZMLODOGDAE-CQSZACIVSA-N 0 1 324.375 1.159 10 0 DDAEMN O=C([O-])[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1C(F)(F)F ZINC000263073644 408018961 /nfs/dbraw/zinc/01/89/61/408018961.db2.gz WUBLUJAELHSYKM-NXEZZACHSA-N 0 1 308.300 1.240 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C(F)(F)F ZINC000263073644 408018967 /nfs/dbraw/zinc/01/89/67/408018967.db2.gz WUBLUJAELHSYKM-NXEZZACHSA-N 0 1 308.300 1.240 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000245583497 408021881 /nfs/dbraw/zinc/02/18/81/408021881.db2.gz JKCHQKZCDNWZKD-DOMZBBRYSA-N 0 1 311.389 1.780 10 0 DDAEMN O=C([N-]CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)C(F)(F)F ZINC000154832486 408092725 /nfs/dbraw/zinc/09/27/25/408092725.db2.gz YNSKJBMKYRUZPP-LLVKDONJSA-N 0 1 319.331 1.059 10 0 DDAEMN O=C([N-]CCC[N@H+]1CCC[C@@H](Cn2cncn2)C1)C(F)(F)F ZINC000154832486 408092733 /nfs/dbraw/zinc/09/27/33/408092733.db2.gz YNSKJBMKYRUZPP-LLVKDONJSA-N 0 1 319.331 1.059 10 0 DDAEMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245921866 408099596 /nfs/dbraw/zinc/09/95/96/408099596.db2.gz WZZCYBBWDVTQLS-AGIUHOORSA-N 0 1 322.453 1.434 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCCc3ccsc3)CCO2)n[nH]1 ZINC000175383619 408118071 /nfs/dbraw/zinc/11/80/71/408118071.db2.gz DHTNXSXHQLZDSN-GFCCVEGCSA-N 0 1 321.406 1.500 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000181955512 408055051 /nfs/dbraw/zinc/05/50/51/408055051.db2.gz FVYPIYMMJBIIJA-OAHLLOKOSA-N 0 1 324.396 1.501 10 0 DDAEMN CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)CC(=O)[O-])n1 ZINC000263430369 408138267 /nfs/dbraw/zinc/13/82/67/408138267.db2.gz SNINTLWFCOHFPH-SMDDNHRTSA-N 0 1 308.382 1.613 10 0 DDAEMN CC(C)C1CCC(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 ZINC000175504993 408149379 /nfs/dbraw/zinc/14/93/79/408149379.db2.gz ZPXABZDZQPYCHL-HWOWSKLDSA-N 0 1 321.465 1.482 10 0 DDAEMN Cc1ccc(CNC(=O)CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246189160 408168885 /nfs/dbraw/zinc/16/88/85/408168885.db2.gz LUWWSSDAEZSSKM-KRWDZBQOSA-N 0 1 301.434 1.781 10 0 DDAEMN CNC(=O)[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1 ZINC000246476849 408266210 /nfs/dbraw/zinc/26/62/10/408266210.db2.gz RDGFWJIBVOWSIP-HZPDHXFCSA-N 0 1 306.406 1.165 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000246292179 408208704 /nfs/dbraw/zinc/20/87/04/408208704.db2.gz BDHJFNNKSQXVLB-OAGGEKHMSA-N 0 1 309.454 1.040 10 0 DDAEMN CCCN(CCC)C(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246550674 408290153 /nfs/dbraw/zinc/29/01/53/408290153.db2.gz UAHADLVYCQVFEZ-CVEARBPZSA-N 0 1 311.470 1.288 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000131542872 162018126 /nfs/dbraw/zinc/01/81/26/162018126.db2.gz FNOPTIGGHUZZKX-SECBINFHSA-N 0 1 306.790 1.804 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)[nH]n1 ZINC000246934994 408370868 /nfs/dbraw/zinc/37/08/68/408370868.db2.gz RLQQSSXBPIOSSH-GXTWGEPZSA-N 0 1 308.426 1.279 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)N3CCC(C)CC3)CCO2)n[nH]1 ZINC000173354693 162333906 /nfs/dbraw/zinc/33/39/06/162333906.db2.gz CFZZRBNWQIKNHY-JSGCOSHPSA-N 0 1 321.425 1.133 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247007247 408385299 /nfs/dbraw/zinc/38/52/99/408385299.db2.gz BVWYLRPDZPYRGH-FZKCQIBNSA-N 0 1 313.486 1.457 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247020043 408389280 /nfs/dbraw/zinc/38/92/80/408389280.db2.gz GAUWVMUIBIRISN-KGLIPLIRSA-N 0 1 316.467 1.142 10 0 DDAEMN COC(=O)c1cc(CN2CC[C@@H](N3CCOCC3)C2)oc1C ZINC000173933913 162377773 /nfs/dbraw/zinc/37/77/73/162377773.db2.gz FBUVUSNZTIWIGU-CYBMUJFWSA-N 0 1 308.378 1.281 10 0 DDAEMN COC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246966075 408375859 /nfs/dbraw/zinc/37/58/59/408375859.db2.gz LMWABECPMFXWFV-ZIAGYGMSSA-N 0 1 316.361 1.401 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)CCN1C[C@H](C)O ZINC000247154598 408418822 /nfs/dbraw/zinc/41/88/22/408418822.db2.gz LVGGLCPOQSUECK-HRCADAONSA-N 0 1 311.470 1.164 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccnc2)CCN1C[C@H](C)O ZINC000247178017 408421137 /nfs/dbraw/zinc/42/11/37/408421137.db2.gz NHXZRCIXYUJRCR-DZGCQCFKSA-N 0 1 306.410 1.068 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ncccc3C)CCO2)n[nH]1 ZINC000175507051 162476154 /nfs/dbraw/zinc/47/61/54/162476154.db2.gz LOHPUUWGABQPTH-ZDUSSCGKSA-N 0 1 316.365 1.100 10 0 DDAEMN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1c(F)cccc1F ZINC000176749883 408432547 /nfs/dbraw/zinc/43/25/47/408432547.db2.gz XPVLSVAJOSKXEW-SNVBAGLBSA-N 0 1 314.317 1.370 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H](C)CCOC)C[C@@H]1CC ZINC000247230864 408432855 /nfs/dbraw/zinc/43/28/55/408432855.db2.gz WGWNTNCIUYHMAK-CABCVRRESA-N 0 1 315.458 1.554 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ncccc2C)CCN1C[C@H](C)O ZINC000247567642 408493221 /nfs/dbraw/zinc/49/32/21/408493221.db2.gz RKJFXWSYKQEODI-UONOGXRCSA-N 0 1 306.410 1.699 10 0 DDAEMN COC(=O)C[C@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000177125251 408527803 /nfs/dbraw/zinc/52/78/03/408527803.db2.gz RZMKUALYWQTPSY-LBPRGKRZSA-N 0 1 302.334 1.158 10 0 DDAEMN Cn1ccc(N2CCC[C@H](N[C@@H](CO)c3ccccc3)C2=O)n1 ZINC000183668364 408466707 /nfs/dbraw/zinc/46/67/07/408466707.db2.gz AAGFAAICWXWRGA-GJZGRUSLSA-N 0 1 314.389 1.239 10 0 DDAEMN CN(Cc1ccc(F)cc1)C(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248345814 408550307 /nfs/dbraw/zinc/55/03/07/408550307.db2.gz NFOOQYBADVRCLP-KRWDZBQOSA-N 0 1 319.424 1.954 10 0 DDAEMN C[C@@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177258268 408564738 /nfs/dbraw/zinc/56/47/38/408564738.db2.gz DUIPVGACJKIDOO-WBVHZDCISA-N 0 1 317.433 1.302 10 0 DDAEMN CSCCCCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000251659578 408784157 /nfs/dbraw/zinc/78/41/57/408784157.db2.gz KMSVPTGMEGWYNK-KBPBESRZSA-N 0 1 317.499 1.616 10 0 DDAEMN CCn1c(C)nnc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000195111257 408811553 /nfs/dbraw/zinc/81/15/53/408811553.db2.gz GNNGKZPBAUERDW-IJEWVQPXSA-N 0 1 321.469 1.680 10 0 DDAEMN CC(C)(C)OC(=O)NCCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195085778 163306489 /nfs/dbraw/zinc/30/64/89/163306489.db2.gz WYSWIYAXIWXXAV-ZDUSSCGKSA-N 0 1 311.426 1.598 10 0 DDAEMN C[C@@H]1CCCN(C(=O)CN2CCC(c3ccnn3C)CC2)C1 ZINC000195502626 163324796 /nfs/dbraw/zinc/32/47/96/163324796.db2.gz BVUKJBZZMOWBGA-CQSZACIVSA-N 0 1 304.438 1.858 10 0 DDAEMN CCC1CCC(CNC(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000037905388 418416115 /nfs/dbraw/zinc/41/61/15/418416115.db2.gz FJPZMPRLJXECQR-WXRRBKDZSA-N 0 1 304.456 1.081 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CCO2)n[nH]1 ZINC000367074039 418556684 /nfs/dbraw/zinc/55/66/84/418556684.db2.gz WDHWHLIUWCEPJL-MPPDQPJWSA-N 0 1 308.382 1.081 10 0 DDAEMN CCO[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000401908039 418766092 /nfs/dbraw/zinc/76/60/92/418766092.db2.gz SBIZQKZBLJSFLU-AEFFLSMTSA-N 0 1 318.417 1.573 10 0 DDAEMN CCN1CC[C@H](NC(=O)c2nscc2Br)C1 ZINC000404722380 418772863 /nfs/dbraw/zinc/77/28/63/418772863.db2.gz VLMAWBGBDSGJSN-ZETCQYMHSA-N 0 1 304.213 1.730 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851989 423157188 /nfs/dbraw/zinc/15/71/88/423157188.db2.gz SCQGKQCZQOCEIS-SJORKVTESA-N 0 1 319.449 1.521 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649014 422241010 /nfs/dbraw/zinc/24/10/10/422241010.db2.gz HKDCXGVKHXUOAZ-GJZGRUSLSA-N 0 1 304.390 1.971 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649014 422241014 /nfs/dbraw/zinc/24/10/14/422241014.db2.gz HKDCXGVKHXUOAZ-GJZGRUSLSA-N 0 1 304.390 1.971 10 0 DDAEMN COC(=O)C1CCC(C(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000184578280 263388521 /nfs/dbraw/zinc/38/85/21/263388521.db2.gz SINRPGIHFGDYSD-UHFFFAOYSA-N 0 1 306.366 1.990 10 0 DDAEMN COC(=O)C1CCC(C(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC000184578280 263388523 /nfs/dbraw/zinc/38/85/23/263388523.db2.gz SINRPGIHFGDYSD-UHFFFAOYSA-N 0 1 306.366 1.990 10 0 DDAEMN O=C(C[C@@H]1COCCN1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262398496 279791793 /nfs/dbraw/zinc/79/17/93/279791793.db2.gz PGTQRFSJCREAQN-IJLUTSLNSA-N 0 1 308.344 1.850 10 0 DDAEMN CCc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000105933592 281051708 /nfs/dbraw/zinc/05/17/08/281051708.db2.gz JESAPVFTRZULSA-BBRMVZONSA-N 0 1 305.422 1.496 10 0 DDAEMN CC[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C)O2)CCN1CCOC ZINC000247473400 282055405 /nfs/dbraw/zinc/05/54/05/282055405.db2.gz SOEHNDVKVZHQMI-BZUAXINKSA-N 0 1 312.454 1.903 10 0 DDAEMN O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)NC1=[NH+]CCC1 ZINC000584660454 337378220 /nfs/dbraw/zinc/37/82/20/337378220.db2.gz ILKBPRLWPCEQTI-UHFFFAOYSA-N 0 1 301.755 1.520 10 0 DDAEMN CO[C@@H]1CN(CC2=Cc3ccccc3OC2)C[C@H]1c1c[nH]nn1 ZINC000668576690 485222273 /nfs/dbraw/zinc/22/22/73/485222273.db2.gz SUHOJPOAMHGURN-WMLDXEAASA-N 0 1 312.373 1.695 10 0 DDAEMN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1O ZINC000211853323 490696466 /nfs/dbraw/zinc/69/64/66/490696466.db2.gz KDYYBBWAHCGNDO-QWHCGFSZSA-N 0 1 310.419 1.640 10 0 DDAEMN CC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000122557802 696723168 /nfs/dbraw/zinc/72/31/68/696723168.db2.gz FLSAXUZOKLXXPY-HFBDAHEESA-N 0 1 322.430 1.978 10 0 DDAEMN CC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000122557802 696723170 /nfs/dbraw/zinc/72/31/70/696723170.db2.gz FLSAXUZOKLXXPY-HFBDAHEESA-N 0 1 322.430 1.978 10 0 DDAEMN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000171189201 697355431 /nfs/dbraw/zinc/35/54/31/697355431.db2.gz YTCKBYXAUKEMAO-HUUCEWRRSA-N 0 1 317.389 1.186 10 0 DDAEMN CC[C@H]1CN(CN2C(=O)C(C)(C)C2(C)C)CCN1CCOC ZINC000177688225 697415516 /nfs/dbraw/zinc/41/55/16/697415516.db2.gz DZIXCUBFKDOGKU-AWEZNQCLSA-N 0 1 311.470 1.634 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(COC)cc2)C1 ZINC000193071738 697650014 /nfs/dbraw/zinc/65/00/14/697650014.db2.gz LLNDXBKGQGIACV-HNNXBMFYSA-N 0 1 319.405 1.372 10 0 DDAEMN C=Cn1cc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000194315379 697704622 /nfs/dbraw/zinc/70/46/22/697704622.db2.gz WRGAXQIAQGVODO-CABCVRRESA-N 0 1 318.333 1.076 10 0 DDAEMN CC(=O)c1c(F)cccc1N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262124841 698456092 /nfs/dbraw/zinc/45/60/92/698456092.db2.gz MVQBVLTYMXATII-GFCCVEGCSA-N 0 1 324.352 1.250 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 ZINC000262384348 698467223 /nfs/dbraw/zinc/46/72/23/698467223.db2.gz YFZZTFHGJRYUNM-ZDUSSCGKSA-N 0 1 318.333 1.148 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2nc(C)cs2)C1 ZINC000263454517 698507637 /nfs/dbraw/zinc/50/76/37/698507637.db2.gz BQRWUVRSECQUHC-UHFFFAOYSA-N 0 1 312.395 1.511 10 0 DDAEMN Cc1cnc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)nc1C ZINC000263541569 698512879 /nfs/dbraw/zinc/51/28/79/698512879.db2.gz DDDLHCBQKRNRGC-UHFFFAOYSA-N 0 1 304.394 1.833 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nnc(-c3ccon3)s2)C1 ZINC000263565501 698514037 /nfs/dbraw/zinc/51/40/37/698514037.db2.gz VRYFYENMBUYDPM-UHFFFAOYSA-N 0 1 323.378 1.543 10 0 DDAEMN O=C(c1ccc(Br)cn1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720642897 699307447 /nfs/dbraw/zinc/30/74/47/699307447.db2.gz OJRJUWXAXAXCMS-SECBINFHSA-N 0 1 323.154 1.335 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000722653339 699319718 /nfs/dbraw/zinc/31/97/18/699319718.db2.gz NMVMJNXGPKGNLB-FVQBIDKESA-N 0 1 307.390 1.607 10 0 DDAEMN CN1C(=O)C[C@@H](CNc2ncnc3[nH]cnc32)[C@@H]1c1ccncc1 ZINC000886031197 708685232 /nfs/dbraw/zinc/68/52/32/708685232.db2.gz BKSIHQJCFQBJLO-FZMZJTMJSA-N 0 1 323.360 1.331 10 0 DDAEMN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NCc2ccnn2-c2ccccc2)c1 ZINC000888077238 709209676 /nfs/dbraw/zinc/20/96/76/709209676.db2.gz VQZALTOTEQXYTQ-RCCFBDPRSA-N 0 1 323.400 1.841 10 0 DDAEMN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2n[nH]c3ccccc32)c1 ZINC000888077262 709209851 /nfs/dbraw/zinc/20/98/51/709209851.db2.gz XMLFJKCBGCASGC-GZBFAFLISA-N 0 1 311.345 1.172 10 0 DDAEMN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@H]1c1nn[nH]n1 ZINC000900396283 709575228 /nfs/dbraw/zinc/57/52/28/709575228.db2.gz NJEBBRMJWYVOBA-UPJWGTAASA-N 0 1 301.325 1.806 10 0 DDAEMN CCN1CCN(C2CCN(c3nc(C)cc(N)n3)CC2)C1=O ZINC000892374526 710425569 /nfs/dbraw/zinc/42/55/69/710425569.db2.gz ADSHHAABMMLWKS-UHFFFAOYSA-N 0 1 304.398 1.094 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(Cl)c1Cl ZINC000074731593 185014141 /nfs/dbraw/zinc/01/41/41/185014141.db2.gz MYZHPFMUHFNMNE-UHFFFAOYSA-N 0 1 314.128 1.551 10 0 DDAEMN COc1ccc([C@@H](C)N[C@H](C)CS(C)(=O)=O)cc1OC ZINC000081900777 192334958 /nfs/dbraw/zinc/33/49/58/192334958.db2.gz INWWBBDIGZIALZ-GHMZBOCLSA-N 0 1 301.408 1.788 10 0 DDAEMN CC(C)(C)[C@H]1CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000079342081 185165757 /nfs/dbraw/zinc/16/57/57/185165757.db2.gz OITUCYZGCXGZMD-QWHCGFSZSA-N 0 1 318.483 1.423 10 0 DDAEMN CN[C@H](CS(=O)(=O)CCOC)c1ccc(OC(C)C)cc1 ZINC000081945133 192345751 /nfs/dbraw/zinc/34/57/51/192345751.db2.gz XFCLEJNUTPYAQZ-OAHLLOKOSA-N 0 1 315.435 1.796 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)Nc2cnc3[nH]cnc3c2)c1 ZINC000082352535 185176950 /nfs/dbraw/zinc/17/69/50/185176950.db2.gz JKZQRGHXYUFPKY-UHFFFAOYSA-N 0 1 316.342 1.961 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc2c(c1)CCCC2 ZINC000087545338 185228047 /nfs/dbraw/zinc/22/80/47/185228047.db2.gz WALONNIEUJAJDP-UHFFFAOYSA-N 0 1 305.403 1.810 10 0 DDAEMN Nc1cc(S(=O)(=O)NCCc2cnc[nH]2)ccc1Cl ZINC000087542810 185228261 /nfs/dbraw/zinc/22/82/61/185228261.db2.gz WZUANCPFLWNICI-UHFFFAOYSA-N 0 1 300.771 1.166 10 0 DDAEMN COCCNC(=O)[C@@H](C)[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087572022 185228405 /nfs/dbraw/zinc/22/84/05/185228405.db2.gz AYWADRQCMNDGNH-GFCCVEGCSA-N 0 1 300.399 1.247 10 0 DDAEMN COc1cc(C)c(Br)cc1[C@H](N)COCC(N)=O ZINC000088078788 185238864 /nfs/dbraw/zinc/23/88/64/185238864.db2.gz LWUDFGVRLYIGDH-SNVBAGLBSA-N 0 1 317.183 1.268 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1[C@H]1CCCNC1=O ZINC000087837410 185233051 /nfs/dbraw/zinc/23/30/51/185233051.db2.gz QLIHMIBGGZAPPF-VIFPVBQESA-N 0 1 309.167 1.832 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C[C@H]3CCCCNC3=O)CCO2)n[nH]1 ZINC000328876445 231374976 /nfs/dbraw/zinc/37/49/76/231374976.db2.gz SODKEVJFFFPCPW-VXGBXAGGSA-N 0 1 321.381 1.160 10 0 DDAEMN Cc1cnc([C@@H](NC[C@@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344445 539245935 /nfs/dbraw/zinc/24/59/35/539245935.db2.gz KIXKYIGBUBEBKN-OCCSQVGLSA-N 0 1 309.435 1.476 10 0 DDAEMN N[C@@H](C(=O)Nc1cnc(Br)cn1)c1ccccc1 ZINC000088446419 185251208 /nfs/dbraw/zinc/25/12/08/185251208.db2.gz NSQLUFMGBBVVFC-LLVKDONJSA-N 0 1 307.151 1.878 10 0 DDAEMN CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(CNC)o1 ZINC000088544357 185256818 /nfs/dbraw/zinc/25/68/18/185256818.db2.gz MVOZTINTPKOBPA-MNOVXSKESA-N 0 1 302.396 1.187 10 0 DDAEMN CNS(=O)(=O)c1ccc(CNc2cccc3[nH]ncc32)o1 ZINC000088540347 185255700 /nfs/dbraw/zinc/25/57/00/185255700.db2.gz QXBFDNNOUBBXLG-UHFFFAOYSA-N 0 1 306.347 1.676 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)o1 ZINC000088544169 185256637 /nfs/dbraw/zinc/25/66/37/185256637.db2.gz LJXMSGPPFRTAHQ-STQMWFEESA-N 0 1 314.407 1.331 10 0 DDAEMN Cc1nnc2sc(C(=O)N[C@H]3CCN(C)C3)c(N)c2c1C ZINC000088641676 185261081 /nfs/dbraw/zinc/26/10/81/185261081.db2.gz KNQFMSKSVFHZLB-VIFPVBQESA-N 0 1 305.407 1.324 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccn2)CCN1C[C@@H](C)O ZINC000248465439 539272047 /nfs/dbraw/zinc/27/20/47/539272047.db2.gz ZIKWDUQVJIJSPO-RBSFLKMASA-N 0 1 320.437 1.629 10 0 DDAEMN CN[C@@H](CS(=O)(=O)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000081980107 192349508 /nfs/dbraw/zinc/34/95/08/192349508.db2.gz KBYVANHCHZIFQE-ZDUSSCGKSA-N 0 1 313.419 1.932 10 0 DDAEMN C[N@@H+](Cc1ccc(Br)o1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389029 185294067 /nfs/dbraw/zinc/29/40/67/185294067.db2.gz QCQAGKOOGWGJRV-DTWKUNHWSA-N 0 1 304.140 1.574 10 0 DDAEMN CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1cccs1 ZINC000090700305 185310704 /nfs/dbraw/zinc/31/07/04/185310704.db2.gz JHCCVGKWDNMEEU-NSHDSACASA-N 0 1 320.505 1.806 10 0 DDAEMN O=C([C@H]1CCCN1Cc1cc(Cl)ccn1)N1CCNCC1 ZINC000092417121 185317059 /nfs/dbraw/zinc/31/70/59/185317059.db2.gz SHVXVJCMKHFRKH-CQSZACIVSA-N 0 1 308.813 1.131 10 0 DDAEMN C[N@H+]1CCC[C@@H](n2c(SCC(=O)[O-])nc3cccnc32)C1 ZINC000092532042 185324443 /nfs/dbraw/zinc/32/44/43/185324443.db2.gz SXFDYKROKIZBRR-SNVBAGLBSA-N 0 1 306.391 1.875 10 0 DDAEMN CCN[C@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCOC ZINC000092859213 185347015 /nfs/dbraw/zinc/34/70/15/185347015.db2.gz QEKNNXFHOHTUGD-GJZGRUSLSA-N 0 1 313.419 1.332 10 0 DDAEMN CN[C@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCCOC ZINC000092911531 185348522 /nfs/dbraw/zinc/34/85/22/185348522.db2.gz MJPDQFLFSRQVCU-CABCVRRESA-N 0 1 313.419 1.332 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cccnc2)CCN1C[C@@H](C)O ZINC000255577166 282266973 /nfs/dbraw/zinc/26/69/73/282266973.db2.gz WPLUIXKALJKSON-SAABFPIUSA-N 0 1 303.406 1.398 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255827516 282280034 /nfs/dbraw/zinc/28/00/34/282280034.db2.gz AVULRKDPWRBFHD-YIEVGGLXSA-N 0 1 303.406 1.318 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2c(N)ccc(C)c2C)n[nH]1 ZINC000080511130 192163163 /nfs/dbraw/zinc/16/31/63/192163163.db2.gz OCDVAVIMWCPNSW-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN CCN(CC)C(=O)CN(C)C[C@H](C(N)=S)c1ccccc1 ZINC000083861893 192387684 /nfs/dbraw/zinc/38/76/84/192387684.db2.gz BZSNUBWETFUREP-AWEZNQCLSA-N 0 1 307.463 1.857 10 0 DDAEMN CN[C@@H](C[S@@](=O)CCOC)c1ccc(OC)cc1OC ZINC000084036529 192396634 /nfs/dbraw/zinc/39/66/34/192396634.db2.gz DEYGORJQVFESAG-RNODOKPDSA-N 0 1 301.408 1.359 10 0 DDAEMN O=C([O-])[C@@H]1CCC[N@H+](Cc2nc3cc4c(cc3[nH]2)OCCO4)C1 ZINC000071665624 191001336 /nfs/dbraw/zinc/00/13/36/191001336.db2.gz XROMQZXXSRMTPG-SNVBAGLBSA-N 0 1 317.345 1.631 10 0 DDAEMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2nc3cc4c(cc3[nH]2)OCCO4)C1 ZINC000071665624 191001339 /nfs/dbraw/zinc/00/13/39/191001339.db2.gz XROMQZXXSRMTPG-SNVBAGLBSA-N 0 1 317.345 1.631 10 0 DDAEMN CCc1nnc(CN2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)o1 ZINC000072127472 191043585 /nfs/dbraw/zinc/04/35/85/191043585.db2.gz QIHAZPDTPSSLTD-NSHDSACASA-N 0 1 308.382 1.003 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccsc2)CCN1C[C@@H](C)O ZINC000174605275 198358819 /nfs/dbraw/zinc/35/88/19/198358819.db2.gz OLWPHZXQZONCNO-UKRRQHHQSA-N 0 1 310.463 1.984 10 0 DDAEMN COC(=O)C1(NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CCCC1 ZINC000220626042 354314006 /nfs/dbraw/zinc/31/40/06/354314006.db2.gz VIAGAWHNWFLWET-LLVKDONJSA-N 0 1 305.378 1.425 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000257354173 354389576 /nfs/dbraw/zinc/38/95/76/354389576.db2.gz WDLZIQYFGMTKLA-FBIMIBRVSA-N 0 1 312.391 1.432 10 0 DDAEMN C[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000309844262 354474840 /nfs/dbraw/zinc/47/48/40/354474840.db2.gz RWCYVWAOXPNELP-RDJZCZTQSA-N 0 1 307.390 1.751 10 0 DDAEMN CCCN1CCCC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000328608953 354545378 /nfs/dbraw/zinc/54/53/78/354545378.db2.gz BUELLZCVKJIFOM-HZSPNIEDSA-N 0 1 322.409 1.277 10 0 DDAEMN O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2F)[n-]1 ZINC000073696066 191342867 /nfs/dbraw/zinc/34/28/67/191342867.db2.gz ATHWMMYKJGCEPS-LLVKDONJSA-N 0 1 302.353 1.418 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000080868832 192197330 /nfs/dbraw/zinc/19/73/30/192197330.db2.gz ZBCUJGCWKDUOPY-SSDOTTSWSA-N 0 1 315.424 1.266 10 0 DDAEMN CNc1ncc(S(=O)(=O)NC2CCN(C)CC2)cc1Cl ZINC000081691705 192313269 /nfs/dbraw/zinc/31/32/69/192313269.db2.gz TVSMNQAFKHQDND-UHFFFAOYSA-N 0 1 318.830 1.149 10 0 DDAEMN CCc1nc([C@H](C)OC)[nH]c(=O)c1I ZINC000086574311 192584223 /nfs/dbraw/zinc/58/42/23/192584223.db2.gz ZMNMJZCZHFARHF-YFKPBYRVSA-N 0 1 308.119 1.644 10 0 DDAEMN O[C@@H](CN1CCC(Nc2cccnn2)CC1)CC(F)(F)F ZINC000189138297 200355106 /nfs/dbraw/zinc/35/51/06/200355106.db2.gz VMOBFEWIHDIXIH-LLVKDONJSA-N 0 1 304.316 1.666 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091488295 193063234 /nfs/dbraw/zinc/06/32/34/193063234.db2.gz WCXNKFYXHSHLHN-GHMZBOCLSA-N 0 1 317.524 1.773 10 0 DDAEMN C[N@H+](CC(=O)[N-]C(=O)c1ccccc1Cl)CC1CC(O)C1 ZINC000091489492 193063547 /nfs/dbraw/zinc/06/35/47/193063547.db2.gz CUGPUXDNWWUHKF-UHFFFAOYSA-N 0 1 310.781 1.299 10 0 DDAEMN O=C1N(Cc2cc(Br)cs2)C[C@H]2CNCCN12 ZINC000091751131 193101922 /nfs/dbraw/zinc/10/19/22/193101922.db2.gz XXEVCYCWVTTYQA-SECBINFHSA-N 0 1 316.224 1.720 10 0 DDAEMN O=C1N(Cc2sccc2Br)C[C@@H]2CNCCN12 ZINC000091751125 193102570 /nfs/dbraw/zinc/10/25/70/193102570.db2.gz CHGVYWTWQWJRIQ-QMMMGPOBSA-N 0 1 316.224 1.720 10 0 DDAEMN C[C@H](C[NH3+])c1nc([O-])c(-c2ccccc2Br)c(=O)[nH]1 ZINC000093177098 193211947 /nfs/dbraw/zinc/21/19/47/193211947.db2.gz QVTAJOKWSNURFC-SSDOTTSWSA-N 0 1 324.178 1.967 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262517873 203316403 /nfs/dbraw/zinc/31/64/03/203316403.db2.gz KKQXFMZFGJIZER-MGPQQGTHSA-N 0 1 324.446 1.541 10 0 DDAEMN O=C([C@@H]1CNCCO1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262621655 203354149 /nfs/dbraw/zinc/35/41/49/203354149.db2.gz IZXUCZITMUTPDK-UPJWGTAASA-N 0 1 310.419 1.151 10 0 DDAEMN CC(C)(C)OC(=O)N1CC(NCC(C)(C)S(C)(=O)=O)C1 ZINC000093520619 193263064 /nfs/dbraw/zinc/26/30/64/193263064.db2.gz CGJKXSNFYXGYLP-UHFFFAOYSA-N 0 1 306.428 1.019 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H]1CCSc1nnc(C)s1 ZINC000093629689 193276198 /nfs/dbraw/zinc/27/61/98/193276198.db2.gz ITGCVEHQHDOGIC-BXKDBHETSA-N 0 1 301.437 1.999 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093779483 193306558 /nfs/dbraw/zinc/30/65/58/193306558.db2.gz MZPVSKXOOVPHNX-QMTHXVAHSA-N 0 1 306.391 1.635 10 0 DDAEMN C[N@@H+](CCS(C)(=O)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000094301272 193358878 /nfs/dbraw/zinc/35/88/78/193358878.db2.gz PORADGHABCQGHB-FRRDWIJNSA-N 0 1 319.467 1.878 10 0 DDAEMN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CCN1C ZINC000094336196 193361324 /nfs/dbraw/zinc/36/13/24/193361324.db2.gz CYFHZTSZYBZWKF-QMMMGPOBSA-N 0 1 318.368 1.875 10 0 DDAEMN Nc1ccc2[nH]c(S(=O)(=O)Cc3cccc(O)c3)nc2c1 ZINC000094687557 193391676 /nfs/dbraw/zinc/39/16/76/193391676.db2.gz CCALWUAVHQMTKE-UHFFFAOYSA-N 0 1 303.343 1.825 10 0 DDAEMN C[C@@H]1CN(c2nc(Br)cn3ccnc23)CCN1C ZINC000094491062 193373416 /nfs/dbraw/zinc/37/34/16/193373416.db2.gz YWKNTVBLXSQICI-SECBINFHSA-N 0 1 310.199 1.632 10 0 DDAEMN C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000094549398 193379016 /nfs/dbraw/zinc/37/90/16/193379016.db2.gz ZDTONOPAKJJTRC-SCZZXKLOSA-N 0 1 313.195 1.964 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H](N2CCc3ccc(N)cc3C2)C1 ZINC000094792408 193398525 /nfs/dbraw/zinc/39/85/25/193398525.db2.gz PCZHBXJRIRGBEK-JKSUJKDBSA-N 0 1 308.447 1.983 10 0 DDAEMN CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020007933 182177032 /nfs/dbraw/zinc/17/70/32/182177032.db2.gz NQZWNUVQPVNPRV-SNVBAGLBSA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020007933 182177033 /nfs/dbraw/zinc/17/70/33/182177033.db2.gz NQZWNUVQPVNPRV-SNVBAGLBSA-N 0 1 318.420 1.209 10 0 DDAEMN COc1ccc(Cl)cc1NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000021518238 182277740 /nfs/dbraw/zinc/27/77/40/182277740.db2.gz ZOJXRJXPQULKFT-SECBINFHSA-N 0 1 320.798 1.049 10 0 DDAEMN C[N@H+]1CCCN(c2nc3sccn3c2/C=C/C(=O)[O-])CC1 ZINC000022159409 182311341 /nfs/dbraw/zinc/31/13/41/182311341.db2.gz WCTNZYXWRYHNCZ-ONEGZZNKSA-N 0 1 306.391 1.636 10 0 DDAEMN NNc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccn1 ZINC000040231382 183048434 /nfs/dbraw/zinc/04/84/34/183048434.db2.gz GQSUFANRWZZRMS-UHFFFAOYSA-N 0 1 300.290 1.446 10 0 DDAEMN Cc1cc(N)ccc1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000040771170 183131833 /nfs/dbraw/zinc/13/18/33/183131833.db2.gz VOCKOUVSBQUYDR-UHFFFAOYSA-N 0 1 311.451 1.587 10 0 DDAEMN C[N@H+](CCCC(=O)[O-])CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000042718145 183301825 /nfs/dbraw/zinc/30/18/25/183301825.db2.gz INWYJIGNOCWGBA-UHFFFAOYSA-N 0 1 319.810 1.910 10 0 DDAEMN C[N@@H+](CCCC(=O)[O-])CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000042718145 183301828 /nfs/dbraw/zinc/30/18/28/183301828.db2.gz INWYJIGNOCWGBA-UHFFFAOYSA-N 0 1 319.810 1.910 10 0 DDAEMN COc1cccc(NC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000105821436 194138533 /nfs/dbraw/zinc/13/85/33/194138533.db2.gz OWKZDRQNEGWHEP-UONOGXRCSA-N 0 1 321.421 1.021 10 0 DDAEMN CCCCNC(=O)[C@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803499 194131693 /nfs/dbraw/zinc/13/16/93/194131693.db2.gz NWGOBJOTRBYFOR-LSDHHAIUSA-N 0 1 319.453 1.682 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccccc1)CC2 ZINC000105874054 194153568 /nfs/dbraw/zinc/15/35/68/194153568.db2.gz RPTPKNDQNARLQZ-DZGCQCFKSA-N 0 1 313.405 1.533 10 0 DDAEMN CC(C)=CCN1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000105882310 194155180 /nfs/dbraw/zinc/15/51/80/194155180.db2.gz VMUXNRSKEUPADL-UHFFFAOYSA-N 0 1 300.410 1.760 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105884220 194157629 /nfs/dbraw/zinc/15/76/29/194157629.db2.gz XSDVWXRXCCWBEB-HOTGVXAUSA-N 0 1 321.469 1.883 10 0 DDAEMN CCOc1ccnc(N2CCN(CCCOC(C)C)CC2)n1 ZINC000105917208 194169850 /nfs/dbraw/zinc/16/98/50/194169850.db2.gz YYPYDIWXFOOYON-UHFFFAOYSA-N 0 1 308.426 1.812 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CCO[C@@H](c2nccs2)C1 ZINC000110886146 194366572 /nfs/dbraw/zinc/36/65/72/194366572.db2.gz NYRYRVZSXUUFAA-GFCCVEGCSA-N 0 1 315.358 1.628 10 0 DDAEMN COCCN(C)CCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000061376742 184169483 /nfs/dbraw/zinc/16/94/83/184169483.db2.gz NPTZDLOPDZURSQ-CQSZACIVSA-N 0 1 312.435 1.073 10 0 DDAEMN C[C@H](c1ccccc1Cl)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000062014452 184201032 /nfs/dbraw/zinc/20/10/32/184201032.db2.gz RMHXATTWVAGEMW-JIMOISOXSA-N 0 1 302.827 1.457 10 0 DDAEMN COCCCN(C)[C@@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000062031578 184202454 /nfs/dbraw/zinc/20/24/54/184202454.db2.gz LKQOEFWJVPYYFY-NSHDSACASA-N 0 1 309.435 1.616 10 0 DDAEMN CNS(=O)(=O)NC[C@@H](c1ccco1)N1CCCCCC1 ZINC000062356674 184232075 /nfs/dbraw/zinc/23/20/75/184232075.db2.gz HAZYYFJWLHMOAX-LBPRGKRZSA-N 0 1 301.412 1.251 10 0 DDAEMN COCCNCc1cc(Cl)cc(Cl)c1OCCC(N)=O ZINC000062733008 184251484 /nfs/dbraw/zinc/25/14/84/184251484.db2.gz BYVURRXPXFDBLT-UHFFFAOYSA-N 0 1 321.204 1.984 10 0 DDAEMN CCc1nc(CN2CCN(Cc3cnc(C)s3)CC2)n[nH]1 ZINC000158337688 197263658 /nfs/dbraw/zinc/26/36/58/197263658.db2.gz FGGMPBGYURKLMJ-UHFFFAOYSA-N 0 1 306.439 1.450 10 0 DDAEMN O=C(CC1CC1)N1C[C@H]2CN(Cc3ccco3)CCO[C@H]2C1 ZINC000247859676 257115843 /nfs/dbraw/zinc/11/58/43/257115843.db2.gz MEALBVOSSYXKDP-ZBFHGGJFSA-N 0 1 304.390 1.739 10 0 DDAEMN CN1[C@@H]2CC[C@H]1CC(NC(=O)CS(=O)(=O)c1ccccc1)C2 ZINC000000136077 257266524 /nfs/dbraw/zinc/26/65/24/257266524.db2.gz YFWQISPPCPCIPW-AGUYFDCRSA-N 0 1 322.430 1.202 10 0 DDAEMN CSc1ncc(C(N)=O)c(Nc2ccc3cn[nH]c3c2)n1 ZINC000003597837 406720090 /nfs/dbraw/zinc/72/00/90/406720090.db2.gz ZODIKXNSNDSNMU-UHFFFAOYSA-N 0 1 300.347 1.917 10 0 DDAEMN C[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(Cl)s1 ZINC000049129281 407115566 /nfs/dbraw/zinc/11/55/66/407115566.db2.gz HYEHKUWJVSEHMK-MRVPVSSYSA-N 0 1 313.810 1.650 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000123499511 407330029 /nfs/dbraw/zinc/33/00/29/407330029.db2.gz XEZCWKAKPIOFNW-GOSISDBHSA-N 0 1 304.434 1.843 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NCC(C)C)C2)n1 ZINC000105884731 407356527 /nfs/dbraw/zinc/35/65/27/407356527.db2.gz ZKQNQDZHYPJAGV-OAHLLOKOSA-N 0 1 307.442 1.379 10 0 DDAEMN CC(C)C(=O)NCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106903447 407365395 /nfs/dbraw/zinc/36/53/95/407365395.db2.gz MGCORXPUDCQPFR-OAHLLOKOSA-N 0 1 305.422 1.048 10 0 DDAEMN CC(C)C(=O)NCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106903448 407365783 /nfs/dbraw/zinc/36/57/83/407365783.db2.gz MGCORXPUDCQPFR-HNNXBMFYSA-N 0 1 305.422 1.048 10 0 DDAEMN CCC(=O)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000125427704 407388324 /nfs/dbraw/zinc/38/83/24/407388324.db2.gz TVTTUSKPSDIKSR-CVEARBPZSA-N 0 1 317.433 1.286 10 0 DDAEMN C[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000261670924 407576110 /nfs/dbraw/zinc/57/61/10/407576110.db2.gz BXAIUFSEZUBQNS-GFCCVEGCSA-N 0 1 323.462 1.119 10 0 DDAEMN CCCCn1nccc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000151867403 407517384 /nfs/dbraw/zinc/51/73/84/407517384.db2.gz BWASDCSMUOQLNF-CYBMUJFWSA-N 0 1 321.425 1.222 10 0 DDAEMN C[C@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261934843 407678318 /nfs/dbraw/zinc/67/83/18/407678318.db2.gz WQNPYGRLLXUEMW-HOCLYGCPSA-N 0 1 317.433 1.274 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3cn(C)nc3C)C2=O)n(C)n1 ZINC000179094227 407721615 /nfs/dbraw/zinc/72/16/15/407721615.db2.gz NVELYJKCVVUAJM-AWEZNQCLSA-N 0 1 316.409 1.056 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000262234727 407772463 /nfs/dbraw/zinc/77/24/63/407772463.db2.gz HGCXVGRSQLXJDH-UPJWGTAASA-N 0 1 307.394 1.212 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cc(F)cc(Br)c1 ZINC000262315866 407797746 /nfs/dbraw/zinc/79/77/46/407797746.db2.gz PSZAJJMCKHOZGL-JTQLQIEISA-N 0 1 305.147 1.178 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000262341650 407807429 /nfs/dbraw/zinc/80/74/29/407807429.db2.gz FPTOEPFPCGAFKW-LLVKDONJSA-N 0 1 313.785 1.089 10 0 DDAEMN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1N1CCOCC1 ZINC000180236419 407868004 /nfs/dbraw/zinc/86/80/04/407868004.db2.gz OJZZHPCNNPMHFN-ZBFHGGJFSA-N 0 1 306.454 1.791 10 0 DDAEMN Cc1ccc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)o1 ZINC000262696791 407903374 /nfs/dbraw/zinc/90/33/74/407903374.db2.gz GQSHZRMSPYWNDI-UHFFFAOYSA-N 0 1 306.362 1.645 10 0 DDAEMN N[C@@H](C(=O)NC[C@@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000262712780 407906715 /nfs/dbraw/zinc/90/67/15/407906715.db2.gz RWYZIPVMRHFQIS-GOEBONIOSA-N 0 1 311.389 1.262 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(F)cc2)C1 ZINC000262717409 407907281 /nfs/dbraw/zinc/90/72/81/407907281.db2.gz NZKNYSBIGHATRS-UHFFFAOYSA-N 0 1 324.352 1.258 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)c2ccsc2)C1 ZINC000262761925 407919215 /nfs/dbraw/zinc/91/92/15/407919215.db2.gz ZTVCLACHXSVYQL-QFWMXSHPSA-N 0 1 310.419 1.905 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc2c1oc(=O)n2C ZINC000245675158 408041850 /nfs/dbraw/zinc/04/18/50/408041850.db2.gz QFUHONACCZBODW-RYUDHWBXSA-N 0 1 315.373 1.440 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(Cl)s2)CCO1 ZINC000262980812 407992058 /nfs/dbraw/zinc/99/20/58/407992058.db2.gz YRLJYQBKNDQLPK-JTQLQIEISA-N 0 1 318.826 1.619 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000182137047 408078231 /nfs/dbraw/zinc/07/82/31/408078231.db2.gz HBVFYPNWWHJKJD-KFWWJZLASA-N 0 1 300.443 1.351 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C[C@H](C)O ZINC000246222443 408181370 /nfs/dbraw/zinc/18/13/70/408181370.db2.gz ZCRMSDUJYWRQGB-GOEBONIOSA-N 0 1 319.449 1.670 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cccn2C(C)C)CCN1C[C@H](C)O ZINC000246350347 408226485 /nfs/dbraw/zinc/22/64/85/408226485.db2.gz FINJUZFQSVXZLM-LSDHHAIUSA-N 0 1 307.438 1.986 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)s1 ZINC000133568371 162061802 /nfs/dbraw/zinc/06/18/02/162061802.db2.gz QKMLBTXOHRWRKY-NSHDSACASA-N 0 1 301.375 1.836 10 0 DDAEMN COCCN1CCN([C@@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000246773511 408335739 /nfs/dbraw/zinc/33/57/39/408335739.db2.gz VMMISWYYOVDDNF-GDBMZVCRSA-N 0 1 306.406 1.553 10 0 DDAEMN COC[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000183217829 408357040 /nfs/dbraw/zinc/35/70/40/408357040.db2.gz UXTPUDFPEKOYDI-BXUZGUMPSA-N 0 1 308.332 1.848 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173357206 162333676 /nfs/dbraw/zinc/33/36/76/162333676.db2.gz NRTWKFCOOAEKRQ-JQWIXIFHSA-N 0 1 309.414 1.180 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173352637 162333895 /nfs/dbraw/zinc/33/38/95/162333895.db2.gz ARWRLMYXSGRXLF-AAEUAGOBSA-N 0 1 309.414 1.181 10 0 DDAEMN COC(=O)c1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)o1 ZINC000173677883 162355606 /nfs/dbraw/zinc/35/56/06/162355606.db2.gz HIXQVSZUOOQLKE-LBPRGKRZSA-N 0 1 306.322 1.066 10 0 DDAEMN CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246978667 408377807 /nfs/dbraw/zinc/37/78/07/408377807.db2.gz MKHFLJOEMYOQAZ-HZPDHXFCSA-N 0 1 311.470 1.286 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](N[C@H](c1nccn1C)C1CC1)CC2 ZINC000183319422 408378751 /nfs/dbraw/zinc/37/87/51/408378751.db2.gz UFPWXTPBBCTLAL-WFASDCNBSA-N 0 1 300.410 1.630 10 0 DDAEMN COc1cccc(COC[C@H](O)CN2[C@H](C)COC[C@@H]2C)c1 ZINC000247332453 408451149 /nfs/dbraw/zinc/45/11/49/408451149.db2.gz XYGPUMPXPWSRFK-IJEWVQPXSA-N 0 1 309.406 1.682 10 0 DDAEMN C[C@H]1CN([C@@H](CNC(=O)c2cnn[nH]2)c2cccs2)CCO1 ZINC000176605094 408402037 /nfs/dbraw/zinc/40/20/37/408402037.db2.gz BKAGSZZOQMULJU-JQWIXIFHSA-N 0 1 321.406 1.058 10 0 DDAEMN O[C@@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247210077 408429233 /nfs/dbraw/zinc/42/92/33/408429233.db2.gz PTFLXATZLUYODZ-HUUCEWRRSA-N 0 1 320.368 1.494 10 0 DDAEMN CC(C)(C)S(=O)(=O)c1ccc(N2CCN3CCC[C@@H]3C2)cn1 ZINC000176997021 408492937 /nfs/dbraw/zinc/49/29/37/408492937.db2.gz AQUKYXWGQXQRNM-CQSZACIVSA-N 0 1 323.462 1.938 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248414589 408560866 /nfs/dbraw/zinc/56/08/66/408560866.db2.gz HBVFYPNWWHJKJD-KKUMJFAQSA-N 0 1 300.443 1.351 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 ZINC000248579439 408589749 /nfs/dbraw/zinc/58/97/49/408589749.db2.gz IDSAOGLRKCSBQL-IACUBPJLSA-N 0 1 323.437 1.500 10 0 DDAEMN O[C@H](CN1CCCN(c2cccnn2)CC1)CC(F)(F)F ZINC000248964055 408666277 /nfs/dbraw/zinc/66/62/77/408666277.db2.gz GXQNAAAUTRWCMY-NSHDSACASA-N 0 1 304.316 1.302 10 0 DDAEMN CN(Cc1ccc(F)cc1)C(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177774416 408709723 /nfs/dbraw/zinc/70/97/23/408709723.db2.gz NFOOQYBADVRCLP-QGZVFWFLSA-N 0 1 319.424 1.954 10 0 DDAEMN COc1ccccc1CNC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177778112 408711124 /nfs/dbraw/zinc/71/11/24/408711124.db2.gz SEZQHRJLNFWIDM-MRXNPFEDSA-N 0 1 317.433 1.482 10 0 DDAEMN CCOC(=O)C[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000177788194 408712783 /nfs/dbraw/zinc/71/27/83/408712783.db2.gz UDMFCUBFYYAREM-ZFWWWQNUSA-N 0 1 306.406 1.617 10 0 DDAEMN C[C@H](CN1C[C@@H](c2ccsc2)[C@H](CO)C1)CS(C)(=O)=O ZINC000249590818 408747978 /nfs/dbraw/zinc/74/79/78/408747978.db2.gz VJCVVZDXJCRILT-XBFCOCLRSA-N 0 1 317.476 1.437 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000178013466 408757065 /nfs/dbraw/zinc/75/70/65/408757065.db2.gz ZCXHZJNIEZKROZ-MRVPVSSYSA-N 0 1 308.367 1.429 10 0 DDAEMN CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185180427 408774129 /nfs/dbraw/zinc/77/41/29/408774129.db2.gz SKGLAFFGFSMBLL-OLZOCXBDSA-N 0 1 310.419 1.388 10 0 DDAEMN CN(C)C(=O)Sc1ccc(CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185180427 408774132 /nfs/dbraw/zinc/77/41/32/408774132.db2.gz SKGLAFFGFSMBLL-OLZOCXBDSA-N 0 1 310.419 1.388 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000178130115 408777866 /nfs/dbraw/zinc/77/78/66/408777866.db2.gz XHVCSRRXZJPNOD-LLVKDONJSA-N 0 1 316.373 1.742 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1F ZINC000190341551 163137006 /nfs/dbraw/zinc/13/70/06/163137006.db2.gz OIUBVYOBKWCOFY-QWHCGFSZSA-N 0 1 319.380 1.849 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000262337948 163809623 /nfs/dbraw/zinc/80/96/23/163809623.db2.gz SJYQHLDVLNDLNS-SKDRFNHKSA-N 0 1 315.211 1.470 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2cscn2)C1 ZINC000262742825 163873219 /nfs/dbraw/zinc/87/32/19/163873219.db2.gz WSXWIYGJBOVGNS-UHFFFAOYSA-N 0 1 311.407 1.129 10 0 DDAEMN COc1cc(CN(C)C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)cc(OC)c1 ZINC000343732532 410653982 /nfs/dbraw/zinc/65/39/82/410653982.db2.gz HXYLTIZEWSXMJH-HOTGVXAUSA-N 0 1 322.405 1.381 10 0 DDAEMN COc1cc(CN(C)C(=O)[C@@H]2C[C@H](OC)CN2C)cc(OC)c1 ZINC000343732532 410653986 /nfs/dbraw/zinc/65/39/86/410653986.db2.gz HXYLTIZEWSXMJH-HOTGVXAUSA-N 0 1 322.405 1.381 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(Cc2cn(-c3ccccc3)nc2C)C1 ZINC000343987082 410866973 /nfs/dbraw/zinc/86/69/73/410866973.db2.gz RVPKUTDUDGCGRM-IRXDYDNUSA-N 0 1 301.390 1.762 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000131715878 418514008 /nfs/dbraw/zinc/51/40/08/418514008.db2.gz PIZIFYDJRYGNEJ-NXEZZACHSA-N 0 1 310.151 1.894 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000583616921 422203460 /nfs/dbraw/zinc/20/34/60/422203460.db2.gz ZZLSMLOZJRFNDU-LLVKDONJSA-N 0 1 314.271 1.102 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000262191025 274044036 /nfs/dbraw/zinc/04/40/36/274044036.db2.gz CGVNLDFRFIVZRL-GFCCVEGCSA-N 0 1 313.195 1.308 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)NC3CC3)C[C@H]12 ZINC000185998543 277202845 /nfs/dbraw/zinc/20/28/45/277202845.db2.gz IDSAOGLRKCSBQL-KWCYVHTRSA-N 0 1 323.437 1.500 10 0 DDAEMN CC(=O)NCC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@H](C)C(=O)[O-] ZINC000263355300 278110990 /nfs/dbraw/zinc/11/09/90/278110990.db2.gz QSCXHTPHQQHNCO-GZBFAFLISA-N 0 1 314.426 1.493 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000263096162 279058878 /nfs/dbraw/zinc/05/88/78/279058878.db2.gz VZIFSFBRBFRBCO-RYSNWHEDSA-N 0 1 311.426 1.802 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000262335152 293118776 /nfs/dbraw/zinc/11/87/76/293118776.db2.gz SBCDRYGFFUXSGP-ICCXJUOJSA-N 0 1 300.786 1.506 10 0 DDAEMN CCCc1nc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)co1 ZINC000329784148 528692288 /nfs/dbraw/zinc/69/22/88/528692288.db2.gz PASDFCVWMSSTLE-CYBMUJFWSA-N 0 1 321.421 1.952 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000173532425 697379392 /nfs/dbraw/zinc/37/93/92/697379392.db2.gz DBMMXGYPLYILDS-NSHDSACASA-N 0 1 306.391 1.951 10 0 DDAEMN CNC(=O)[C@H](NCc1cc(=O)oc2c(C)c(O)ccc12)C(C)C ZINC000183659433 697491652 /nfs/dbraw/zinc/49/16/52/697491652.db2.gz BBIBOBIXHRDACI-OAHLLOKOSA-N 0 1 318.373 1.667 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000183724240 697492498 /nfs/dbraw/zinc/49/24/98/697492498.db2.gz GRBIFANEZQIODQ-AEJSXWLSSA-N 0 1 310.316 1.325 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000191981978 697617559 /nfs/dbraw/zinc/61/75/59/697617559.db2.gz OHRUAPFIYWJZBL-KGLIPLIRSA-N 0 1 308.422 1.853 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc(-n3cnnn3)cc1)C2 ZINC000220570509 697755316 /nfs/dbraw/zinc/75/53/16/697755316.db2.gz RRZGBORICUJJMD-LLVKDONJSA-N 0 1 323.360 1.437 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000262300327 698463849 /nfs/dbraw/zinc/46/38/49/698463849.db2.gz NUFMTXDHVMBWKW-LBPRGKRZSA-N 0 1 307.394 1.892 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000262402085 698467786 /nfs/dbraw/zinc/46/77/86/698467786.db2.gz ZWDPRDDIKCRUNZ-GXTWGEPZSA-N 0 1 324.421 1.881 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)=O)cs2)C1 ZINC000262773434 698480170 /nfs/dbraw/zinc/48/01/70/698480170.db2.gz HTRPSOMVJQHLOM-UHFFFAOYSA-N 0 1 324.402 1.618 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)N(C)C1 ZINC000329070422 698750659 /nfs/dbraw/zinc/75/06/59/698750659.db2.gz YMKMUXFYHQAJQB-AVGNSLFASA-N 0 1 321.425 1.024 10 0 DDAEMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000379603129 699059321 /nfs/dbraw/zinc/05/93/21/699059321.db2.gz FAZNKDFBPAWNSC-KBPBESRZSA-N 0 1 304.390 1.734 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380893103 699062719 /nfs/dbraw/zinc/06/27/19/699062719.db2.gz AULQWUYPNDFFFS-KRWDZBQOSA-N 0 1 319.405 1.625 10 0 DDAEMN CCn1cc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714947356 699273292 /nfs/dbraw/zinc/27/32/92/699273292.db2.gz GYCYQXKSFMQNTE-GFCCVEGCSA-N 0 1 309.414 1.645 10 0 DDAEMN CCN1CCO[C@@H](CNCc2conc2C)[C@@H]1c1ccnn1C ZINC000886081890 708694565 /nfs/dbraw/zinc/69/45/65/708694565.db2.gz BWPJKXNMSFAKFW-HOTGVXAUSA-N 0 1 319.409 1.268 10 0 DDAEMN O=C(NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O)c1cccn1C1CC1 ZINC000888094905 709211809 /nfs/dbraw/zinc/21/18/09/709211809.db2.gz GMVFXZOZEKCWTC-SUNKGSAMSA-N 0 1 315.377 1.226 10 0 DDAEMN CCOC(=O)c1cnc(CC)nc1N1CCN2CCCC[C@@H]2C1 ZINC000891762553 710288159 /nfs/dbraw/zinc/28/81/59/710288159.db2.gz HMBIAIAFTKUJPJ-CYBMUJFWSA-N 0 1 318.421 1.890 10 0 DDAEMN CC(C)c1nsc(CN2CCC[C@](O)(c3c[nH]nn3)C2)n1 ZINC000930392907 713822968 /nfs/dbraw/zinc/82/29/68/713822968.db2.gz WVTIHIVWYSQROZ-CYBMUJFWSA-N 0 1 308.411 1.263 10 0 DDAEMN NN=c1cc(Nc2ccc(F)cc2Br)[nH]c(N)n1 ZINC000087884795 185234444 /nfs/dbraw/zinc/23/44/44/185234444.db2.gz ZFBZMMAZHKAFCT-UHFFFAOYSA-N 0 1 313.134 1.990 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC(=O)OCC)c1ccccc1C ZINC000081977571 192347815 /nfs/dbraw/zinc/34/78/15/192347815.db2.gz IVZRAHQKRBPLQF-AWEZNQCLSA-N 0 1 313.419 1.624 10 0 DDAEMN c1nnc([C@H]2COCCN2Cc2nc3cccnc3s2)[nH]1 ZINC000328912066 231383965 /nfs/dbraw/zinc/38/39/65/231383965.db2.gz OSHWMUHSDMRGFY-SNVBAGLBSA-N 0 1 302.363 1.383 10 0 DDAEMN CC(C)Cc1nnc(NC(=O)CN[C@H](C)[C@@H]2CCCO2)s1 ZINC000183130828 539240957 /nfs/dbraw/zinc/24/09/57/539240957.db2.gz AEGJGQPFBSRVFR-MNOVXSKESA-N 0 1 312.439 1.832 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)ccn1 ZINC000088432969 185249729 /nfs/dbraw/zinc/24/97/29/185249729.db2.gz OYYKLFUJTJDINS-UHFFFAOYSA-N 0 1 324.328 1.330 10 0 DDAEMN CN[C@@](CN1CCC(C(F)(F)F)CC1)(C(=O)OC)C1CC1 ZINC000088435458 185250340 /nfs/dbraw/zinc/25/03/40/185250340.db2.gz LEKOVXDRDUYLFQ-CYBMUJFWSA-N 0 1 308.344 1.802 10 0 DDAEMN CN[C@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCCOC ZINC000081986285 192349226 /nfs/dbraw/zinc/34/92/26/192349226.db2.gz KOWQIQBATULSMM-WFASDCNBSA-N 0 1 315.435 1.796 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(CCO)cc1 ZINC000088895150 185270217 /nfs/dbraw/zinc/27/02/17/185270217.db2.gz FYLRBVWHPJVIMR-UHFFFAOYSA-N 0 1 314.451 1.184 10 0 DDAEMN CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000092662046 185332421 /nfs/dbraw/zinc/33/24/21/185332421.db2.gz WBXIOQXJTINBPQ-SECBINFHSA-N 0 1 312.395 1.077 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833048 185344944 /nfs/dbraw/zinc/34/49/44/185344944.db2.gz BXTUZTKUPSZZGK-UHFFFAOYSA-N 0 1 301.412 1.171 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1cnc[nH]1 ZINC000616656907 362771635 /nfs/dbraw/zinc/77/16/35/362771635.db2.gz QCWMZQPGIDPKRC-ZDUSSCGKSA-N 0 1 310.398 1.698 10 0 DDAEMN CN1C[C@@H]([NH2+]Cc2ccc([O-])c(Br)c2)CCC1=O ZINC000084063469 192399752 /nfs/dbraw/zinc/39/97/52/192399752.db2.gz JLEMQNDTRBANIM-JTQLQIEISA-N 0 1 313.195 1.865 10 0 DDAEMN COCCO[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000187990173 186240208 /nfs/dbraw/zinc/24/02/08/186240208.db2.gz PAGWTXNCGRYDBP-DLBZAZTESA-N 0 1 320.433 1.423 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccnc(F)c3)CCO2)n[nH]1 ZINC000173553860 198226441 /nfs/dbraw/zinc/22/64/41/198226441.db2.gz PGAYYLNUHKBGSF-JTQLQIEISA-N 0 1 305.313 1.115 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccc(C)c3)CCO2)n[nH]1 ZINC000173563207 198227984 /nfs/dbraw/zinc/22/79/84/198227984.db2.gz JEKGOWYRURAGIW-CYBMUJFWSA-N 0 1 300.362 1.889 10 0 DDAEMN O=C(CN1CC[N@H+]2CCC[C@@H]2C1)NCCOc1cccc(F)c1 ZINC000173702727 198242251 /nfs/dbraw/zinc/24/22/51/198242251.db2.gz IMWXBZIAFQOHMD-OAHLLOKOSA-N 0 1 321.396 1.101 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccc(C)c3O)CCO2)n[nH]1 ZINC000173756684 198248194 /nfs/dbraw/zinc/24/81/94/198248194.db2.gz MBEKJHKRRFGVSE-GFCCVEGCSA-N 0 1 316.361 1.595 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000174078406 198287882 /nfs/dbraw/zinc/28/78/82/198287882.db2.gz FMGNORFOFWODHL-DLBZAZTESA-N 0 1 322.449 1.123 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1C ZINC000174328844 198320144 /nfs/dbraw/zinc/32/01/44/198320144.db2.gz ZXSARSDFZJAEMI-UONOGXRCSA-N 0 1 315.417 1.705 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccccc2)CCN1C[C@@H](C)O ZINC000174590094 198356419 /nfs/dbraw/zinc/35/64/19/198356419.db2.gz MIGFACZWTHEPGO-NVXWUHKLSA-N 0 1 304.434 1.923 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000174620065 198360695 /nfs/dbraw/zinc/36/06/95/198360695.db2.gz KUGIXRCIILHUTF-CJNGLKHVSA-N 0 1 308.397 1.672 10 0 DDAEMN Cn1ccnc1[C@H]1CN(C(=O)c2ccn3cncc3c2)CCN1C ZINC000328618006 354547525 /nfs/dbraw/zinc/54/75/25/354547525.db2.gz DGRCGYNRGRSKLJ-OAHLLOKOSA-N 0 1 324.388 1.197 10 0 DDAEMN CCOC(=O)C1CCN(c2nc3[nH]cnc(=O)c3s2)CC1 ZINC000073666563 191338803 /nfs/dbraw/zinc/33/88/03/191338803.db2.gz WXTGWZKXJJQOJP-UHFFFAOYSA-N 0 1 308.363 1.571 10 0 DDAEMN CC(=O)N1CCC(C(=O)N2CCN([C@H](C)C3CC3)CC2)CC1 ZINC000074884385 191379778 /nfs/dbraw/zinc/37/97/78/191379778.db2.gz IWEZYFRECYDQSA-CYBMUJFWSA-N 0 1 307.438 1.188 10 0 DDAEMN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@]1(N)CCOC1 ZINC000085912646 192539430 /nfs/dbraw/zinc/53/94/30/192539430.db2.gz UXESIFQOSTWDBZ-AWEZNQCLSA-N 0 1 312.391 1.598 10 0 DDAEMN N[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000237859290 202372926 /nfs/dbraw/zinc/37/29/26/202372926.db2.gz DJFCLWHNKFITKI-MRXNPFEDSA-N 0 1 312.373 1.557 10 0 DDAEMN O=C([C@H]1CCCN1Cc1cc(Cl)cs1)N1CCNCC1 ZINC000093096132 193203511 /nfs/dbraw/zinc/20/35/11/193203511.db2.gz POORLWVNBBTMIR-CYBMUJFWSA-N 0 1 313.854 1.798 10 0 DDAEMN CCC(CC)N(CC(C)C)C(=O)[C@H](N)CCS(C)(=O)=O ZINC000093310737 193227822 /nfs/dbraw/zinc/22/78/22/193227822.db2.gz FHLWMWJGGOVQMH-CYBMUJFWSA-N 0 1 306.472 1.422 10 0 DDAEMN CN1CCN(CCNc2ncc(N)cc2Br)CC1 ZINC000093432775 193250163 /nfs/dbraw/zinc/25/01/63/193250163.db2.gz ASZNUFPNTVIAQN-UHFFFAOYSA-N 0 1 314.231 1.086 10 0 DDAEMN CC(C)(CNCC(=O)NC1CCCCCC1)S(C)(=O)=O ZINC000093519729 193263150 /nfs/dbraw/zinc/26/31/50/193263150.db2.gz FWUHYIAAMSTPQL-UHFFFAOYSA-N 0 1 304.456 1.238 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093779647 193306123 /nfs/dbraw/zinc/30/61/23/193306123.db2.gz AVFJSLDMCQBCGH-ZANVPECISA-N 0 1 314.411 1.058 10 0 DDAEMN CCCc1cc(=O)[nH]c(S[C@@H]2CC[C@](N)(C(=O)OC)C2)n1 ZINC000093850441 193317052 /nfs/dbraw/zinc/31/70/52/193317052.db2.gz ITXXVZWHMOBGQS-QMTHXVAHSA-N 0 1 311.407 1.238 10 0 DDAEMN O=C([O-])/C=C/c1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000093977337 193333659 /nfs/dbraw/zinc/33/36/59/193333659.db2.gz BZNSHTRUYQIFGB-UFFNRZRYSA-N 0 1 306.387 1.812 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1N ZINC000094639078 193387747 /nfs/dbraw/zinc/38/77/47/193387747.db2.gz KWNDKCJMDNSFOI-SNVBAGLBSA-N 0 1 317.842 1.555 10 0 DDAEMN CC(C)NCc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644060 193389396 /nfs/dbraw/zinc/38/93/96/193389396.db2.gz YUQIKYGANYUZBS-NWDGAFQWSA-N 0 1 300.428 1.304 10 0 DDAEMN N[C@@H](c1cc(Br)ccc1F)[C@@H]1CN2CCN1CC2 ZINC000094508885 193375137 /nfs/dbraw/zinc/37/51/37/193375137.db2.gz AJHFPKIDKTURDL-STQMWFEESA-N 0 1 314.202 1.588 10 0 DDAEMN CN[C@H](c1cscc1Br)[C@H]1CN2CCN1CC2 ZINC000094509052 193375531 /nfs/dbraw/zinc/37/55/31/193375531.db2.gz NVUXZNKOJUFAKN-VXGBXAGGSA-N 0 1 316.268 1.771 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000094789356 193398351 /nfs/dbraw/zinc/39/83/51/193398351.db2.gz RSROSRPKXHUTGW-DOMZBBRYSA-N 0 1 313.467 1.155 10 0 DDAEMN COCCN1[C@@H](C)CN(C(=O)NCc2ccccc2)C[C@@H]1C ZINC000041313604 183185075 /nfs/dbraw/zinc/18/50/75/183185075.db2.gz RSYUOIOUNIAJJZ-GJZGRUSLSA-N 0 1 305.422 1.937 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cnc(Cl)nc1 ZINC000041679106 183215833 /nfs/dbraw/zinc/21/58/33/183215833.db2.gz VHGKFZITGVRVIG-UHFFFAOYSA-N 0 1 306.819 1.092 10 0 DDAEMN CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(CN)s2)C1 ZINC000042425702 183268319 /nfs/dbraw/zinc/26/83/19/183268319.db2.gz GLDKVUWCPJKJHJ-LLVKDONJSA-N 0 1 318.464 1.787 10 0 DDAEMN COc1cc(Cl)ccc1C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC000043564836 183372165 /nfs/dbraw/zinc/37/21/65/183372165.db2.gz HYCYXIJRWYIEEG-UHFFFAOYSA-N 0 1 312.753 1.191 10 0 DDAEMN O=C(NCCOc1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000105078984 194070536 /nfs/dbraw/zinc/07/05/36/194070536.db2.gz MPYZUHSRAOVPTJ-OAHLLOKOSA-N 0 1 303.406 1.945 10 0 DDAEMN CCOc1ccccc1OCC[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284809724 218186425 /nfs/dbraw/zinc/18/64/25/218186425.db2.gz NGASJJCIUNSHDE-MRXNPFEDSA-N 0 1 318.377 1.176 10 0 DDAEMN CCOc1ccccc1OCCN1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284809724 218186434 /nfs/dbraw/zinc/18/64/34/218186434.db2.gz NGASJJCIUNSHDE-MRXNPFEDSA-N 0 1 318.377 1.176 10 0 DDAEMN O=C(CCc1cc(F)ccc1F)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284907789 218229604 /nfs/dbraw/zinc/22/96/04/218229604.db2.gz UTLQZTJOXCPKAE-HNNXBMFYSA-N 0 1 322.315 1.136 10 0 DDAEMN CCOCCN1CCN(Cc2cn3ccccc3n2)C[C@@H]1C ZINC000105834845 194142304 /nfs/dbraw/zinc/14/23/04/194142304.db2.gz JZOWGURPZAHIFJ-HNNXBMFYSA-N 0 1 302.422 1.877 10 0 DDAEMN COC(=O)c1cc(F)ccc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105911902 194168069 /nfs/dbraw/zinc/16/80/69/194168069.db2.gz JVBLKZYBTHZLFX-QWHCGFSZSA-N 0 1 324.396 1.499 10 0 DDAEMN COCCN1CCN(Cc2noc(-c3ccccc3)n2)C[C@H]1C ZINC000105913809 194168637 /nfs/dbraw/zinc/16/86/37/194168637.db2.gz RUJVVSNGNFGLEC-CQSZACIVSA-N 0 1 316.405 1.889 10 0 DDAEMN COCCCCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911256 194169117 /nfs/dbraw/zinc/16/91/17/194169117.db2.gz PPIASCITBRKEFU-UHFFFAOYSA-N 0 1 304.398 1.063 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932723 194173684 /nfs/dbraw/zinc/17/36/84/194173684.db2.gz MBVDGMFTDILAEU-NEPJUHHUSA-N 0 1 311.813 1.587 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000109465024 194265727 /nfs/dbraw/zinc/26/57/27/194265727.db2.gz RTOSGVVNIVCYPM-QWHCGFSZSA-N 0 1 313.467 1.012 10 0 DDAEMN Cc1cnn(CCNC(=O)[C@H](N)[C@H](C)OCc2ccccc2)c1 ZINC000638278447 422799376 /nfs/dbraw/zinc/79/93/76/422799376.db2.gz QZTJKNXHVPYTNZ-GOEBONIOSA-N 0 1 316.405 1.240 10 0 DDAEMN CC[N@@H+]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000060510877 184150805 /nfs/dbraw/zinc/15/08/05/184150805.db2.gz ILYBHNZRVYMARN-JTQLQIEISA-N 0 1 322.352 1.867 10 0 DDAEMN CC[N@H+]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000060510877 184150808 /nfs/dbraw/zinc/15/08/08/184150808.db2.gz ILYBHNZRVYMARN-JTQLQIEISA-N 0 1 322.352 1.867 10 0 DDAEMN C[C@H](O)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000059304588 184136727 /nfs/dbraw/zinc/13/67/27/184136727.db2.gz WYTJZJPVCDWOOI-KANYHAFZSA-N 0 1 311.385 1.492 10 0 DDAEMN NNc1ccc(Cl)c(Cn2c(=O)cnc3ccccc32)n1 ZINC000061639227 184179992 /nfs/dbraw/zinc/17/99/92/184179992.db2.gz GIDVPDWVISGXIA-UHFFFAOYSA-N 0 1 301.737 1.779 10 0 DDAEMN CCNS(=O)(=O)NC[C@@H](c1cccs1)N(CC)CC ZINC000062359548 184232968 /nfs/dbraw/zinc/23/29/68/184232968.db2.gz YMFDOHYVEQNWJY-NSHDSACASA-N 0 1 305.469 1.575 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2c(N)cccc2Cl)C1 ZINC000062965434 184262735 /nfs/dbraw/zinc/26/27/35/184262735.db2.gz OHTMKQIUXZBNDR-VIFPVBQESA-N 0 1 303.815 1.247 10 0 DDAEMN Cc1ccnc(SCc2nc3c(cnn3C)c(NN)n2)n1 ZINC000063084372 184269835 /nfs/dbraw/zinc/26/98/35/184269835.db2.gz WGMPWEPQVSIUCS-UHFFFAOYSA-N 0 1 302.367 1.040 10 0 DDAEMN C[C@@H](NCC(=O)Nc1cnccn1)c1ccccc1-n1cccn1 ZINC000065398714 184336581 /nfs/dbraw/zinc/33/65/81/184336581.db2.gz GJAWBMICLYCJAQ-CYBMUJFWSA-N 0 1 322.372 1.952 10 0 DDAEMN O=C1CCCN1[C@H]1CCO[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000247954864 257114171 /nfs/dbraw/zinc/11/41/71/257114171.db2.gz MPQQIGGBFKQMKR-WMZOPIPTSA-N 0 1 315.417 1.828 10 0 DDAEMN O=C([C@@H]1CO[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCCCO1 ZINC000247765327 257118512 /nfs/dbraw/zinc/11/85/12/257118512.db2.gz KFFWLUPCFGTHFJ-ZNMIVQPWSA-N 0 1 306.362 1.280 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1F ZINC000113305566 292180320 /nfs/dbraw/zinc/18/03/20/292180320.db2.gz ATQANGXWUHREGG-QWHCGFSZSA-N 0 1 312.410 1.991 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186047062 407566678 /nfs/dbraw/zinc/56/66/78/407566678.db2.gz KKNMXGAHFJNQGN-CYBMUJFWSA-N 0 1 323.360 1.637 10 0 DDAEMN CCc1nc(CC)nc(NS(=O)(=O)c2ccc(N)cc2)n1 ZINC000000002108 406616155 /nfs/dbraw/zinc/61/61/55/406616155.db2.gz ZQMQGBHQZZQTJE-UHFFFAOYSA-N 0 1 307.379 1.379 10 0 in-man DDAEMN CC(=O)N[C@H]1CCCN(CCOCCOc2ccccc2)C1 ZINC000076709573 406972535 /nfs/dbraw/zinc/97/25/35/406972535.db2.gz VSTWSZTXQOMPNR-INIZCTEOSA-N 0 1 306.406 1.683 10 0 DDAEMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000078245766 407021966 /nfs/dbraw/zinc/02/19/66/407021966.db2.gz WCAIIKDAHQVUTB-DTWKUNHWSA-N 0 1 311.332 1.992 10 0 DDAEMN CCOCCNC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000084696379 407093179 /nfs/dbraw/zinc/09/31/79/407093179.db2.gz SPMVHOUNTZFJSA-SJORKVTESA-N 0 1 320.433 1.727 10 0 DDAEMN CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000052740807 407156831 /nfs/dbraw/zinc/15/68/31/407156831.db2.gz RZWRIUXDCBDVIF-AWEZNQCLSA-N 0 1 319.405 1.624 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccn3C(C)C)CCO2)n[nH]1 ZINC000123086122 407319216 /nfs/dbraw/zinc/31/92/16/407319216.db2.gz YURANXWINOYWRO-CYBMUJFWSA-N 0 1 317.393 1.963 10 0 DDAEMN O=C(c1cc(CC2(NCC3CC3)COC2)no1)N1CCCCC1 ZINC000067898522 407289145 /nfs/dbraw/zinc/28/91/45/407289145.db2.gz GOFCQIMZXWPYDM-UHFFFAOYSA-N 0 1 319.405 1.612 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CC[N@H+]1C[C@@H](C)O ZINC000105826793 407355624 /nfs/dbraw/zinc/35/56/24/407355624.db2.gz LVCVTHCMFCCEJP-QLFBSQMISA-N 0 1 313.486 1.457 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CCN1C[C@@H](C)O ZINC000105826793 407355626 /nfs/dbraw/zinc/35/56/26/407355626.db2.gz LVCVTHCMFCCEJP-QLFBSQMISA-N 0 1 313.486 1.457 10 0 DDAEMN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(C)[nH]1 ZINC000103253459 407334558 /nfs/dbraw/zinc/33/45/58/407334558.db2.gz AZBLYGHVSLMENL-ZWNOBZJWSA-N 0 1 315.377 1.896 10 0 DDAEMN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C)n[nH]1 ZINC000103253459 407334560 /nfs/dbraw/zinc/33/45/60/407334560.db2.gz AZBLYGHVSLMENL-ZWNOBZJWSA-N 0 1 315.377 1.896 10 0 DDAEMN CC(C)(C)OC[C@H](O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000125393935 407387697 /nfs/dbraw/zinc/38/76/97/407387697.db2.gz YVRIYNMVWNURHA-QGZVFWFLSA-N 0 1 322.449 1.686 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000113271317 407483561 /nfs/dbraw/zinc/48/35/61/407483561.db2.gz BLZYUCJMPGFVBG-GHMZBOCLSA-N 0 1 304.419 1.653 10 0 DDAEMN Cc1cnc(C)n1C1CCN(C(=O)CCn2cccn2)CC1 ZINC000257187340 407484342 /nfs/dbraw/zinc/48/43/42/407484342.db2.gz ARDCWBCYVDNXRR-UHFFFAOYSA-N 0 1 301.394 1.950 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cnn(C(C)C)c3)CCO2)n[nH]1 ZINC000178390781 407440795 /nfs/dbraw/zinc/44/07/95/407440795.db2.gz QPWSNXASWXTRKX-CYBMUJFWSA-N 0 1 304.398 1.718 10 0 DDAEMN COC(=O)C[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000152047368 407552116 /nfs/dbraw/zinc/55/21/16/407552116.db2.gz OFVJWJCHHVRNCB-CQSZACIVSA-N 0 1 301.346 1.681 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170877221 407541774 /nfs/dbraw/zinc/54/17/74/407541774.db2.gz KIVJPRUNNFDRDR-LLVKDONJSA-N 0 1 317.418 1.814 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCCN1CC)CC2 ZINC000114862715 407630642 /nfs/dbraw/zinc/63/06/42/407630642.db2.gz BIAPEJBNPGXXFY-QWHCGFSZSA-N 0 1 305.426 1.146 10 0 DDAEMN O=C(c1ccc(-n2cnnc2)cc1)N1CCN2CCCC[C@H]2C1 ZINC000171279287 407649778 /nfs/dbraw/zinc/64/97/78/407649778.db2.gz QWSADPWSNSTKDK-INIZCTEOSA-N 0 1 311.389 1.578 10 0 DDAEMN COC[C@@H](N)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000262181665 407758625 /nfs/dbraw/zinc/75/86/25/407758625.db2.gz BPEGVPZNSSUBNI-MRXNPFEDSA-N 0 1 314.385 1.822 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000262269051 407780273 /nfs/dbraw/zinc/78/02/73/407780273.db2.gz KEVLSUJKBDUXCF-AWEZNQCLSA-N 0 1 307.394 1.261 10 0 DDAEMN CCOc1c(Cl)cc(CNC(=O)[C@H](N)COC)cc1OC ZINC000262257340 407777196 /nfs/dbraw/zinc/77/71/96/407777196.db2.gz JECXONPBUYWZAR-LLVKDONJSA-N 0 1 316.785 1.337 10 0 DDAEMN CCC[C@H](C(=O)Nc1cn(Cc2ccccc2)nn1)N(C)C ZINC000187004638 407812720 /nfs/dbraw/zinc/81/27/20/407812720.db2.gz SJHJLERUFWXPSV-CQSZACIVSA-N 0 1 301.394 1.995 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC2CCC(O)CC2)CCN1CCOC ZINC000117467755 407838100 /nfs/dbraw/zinc/83/81/00/407838100.db2.gz WUSRWUNUDDORJW-SHARSMKWSA-N 0 1 313.442 1.042 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cnn(C(C)(C)C)c3)CCO2)n[nH]1 ZINC000180118980 407854903 /nfs/dbraw/zinc/85/49/03/407854903.db2.gz GRSVFHIZIPLJTE-ZDUSSCGKSA-N 0 1 304.398 1.638 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2scnc2C)CC1 ZINC000187475386 407860870 /nfs/dbraw/zinc/86/08/70/407860870.db2.gz JLPPAXXTATYGCQ-IHVVCDCBSA-N 0 1 309.435 1.380 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@@H](C)SC)C[C@H]1CC ZINC000134018871 407881392 /nfs/dbraw/zinc/88/13/92/407881392.db2.gz ZDCNYTNVNFFUEQ-ZIAGYGMSSA-N 0 1 317.499 1.880 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(F)c(C)c2)C1 ZINC000262681851 407898603 /nfs/dbraw/zinc/89/86/03/407898603.db2.gz AUTYBYKXLRJYNM-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262489784 407847588 /nfs/dbraw/zinc/84/75/88/407847588.db2.gz WNMKAJFBEVBIER-GFCCVEGCSA-N 0 1 313.442 1.161 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262919775 407968569 /nfs/dbraw/zinc/96/85/69/407968569.db2.gz GRYSQGGXRGMWJF-IVZWLZJFSA-N 0 1 310.316 1.342 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262919775 407968574 /nfs/dbraw/zinc/96/85/74/407968574.db2.gz GRYSQGGXRGMWJF-IVZWLZJFSA-N 0 1 310.316 1.342 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000174086056 407913847 /nfs/dbraw/zinc/91/38/47/407913847.db2.gz YCBJNJWBRIXPHH-SWLSCSKDSA-N 0 1 314.376 1.387 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)n[nH]1 ZINC000174341516 407933188 /nfs/dbraw/zinc/93/31/88/407933188.db2.gz FRSGSHLTFCGGNQ-ZDUSSCGKSA-N 0 1 318.381 1.184 10 0 DDAEMN CCc1ncc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cn1 ZINC000119131208 407999602 /nfs/dbraw/zinc/99/96/02/407999602.db2.gz YTXVCAIHFMCREJ-NSHDSACASA-N 0 1 317.353 1.071 10 0 DDAEMN CCOCC[N@H+]1CCN(c2cc(NCC3CC3)ncn2)C[C@H]1C ZINC000245582461 408021539 /nfs/dbraw/zinc/02/15/39/408021539.db2.gz CYHLINUWABWNDW-CQSZACIVSA-N 0 1 319.453 1.846 10 0 DDAEMN COC(=O)c1ccccc1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245754817 408059916 /nfs/dbraw/zinc/05/99/16/408059916.db2.gz OKSQMRCIPSGGKH-WMLDXEAASA-N 0 1 318.417 1.626 10 0 DDAEMN O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)[N-]OCc1ccccc1 ZINC000119374817 408056228 /nfs/dbraw/zinc/05/62/28/408056228.db2.gz ZWSJFZVUJJXRMW-UHFFFAOYSA-N 0 1 314.389 1.837 10 0 DDAEMN CCOCCN1CCN(c2ccc3nnc(CC)n3n2)C[C@@H]1C ZINC000246256149 408194529 /nfs/dbraw/zinc/19/45/29/408194529.db2.gz SZYVDQSOMGRNRU-ZDUSSCGKSA-N 0 1 318.425 1.234 10 0 DDAEMN Cc1nc([C@@H]2CN(CCC(=O)c3ccccc3)CCO2)n[nH]1 ZINC000182363172 408134891 /nfs/dbraw/zinc/13/48/91/408134891.db2.gz BIPQBHRFZIMJFT-HNNXBMFYSA-N 0 1 300.362 1.759 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246134054 408150963 /nfs/dbraw/zinc/15/09/63/408150963.db2.gz FSYFZVPQOIIHGJ-STQMWFEESA-N 0 1 324.421 1.516 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccncc3)CCO2)n[nH]1 ZINC000151105014 408256561 /nfs/dbraw/zinc/25/65/61/408256561.db2.gz IPDGDONMKRHKNX-GFCCVEGCSA-N 0 1 316.365 1.045 10 0 DDAEMN C[C@@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC000246478192 408267991 /nfs/dbraw/zinc/26/79/91/408267991.db2.gz ONFXRWUNJSHSIU-WCXIOVBPSA-N 0 1 323.481 1.334 10 0 DDAEMN O[C@@H](COC1CCOCC1)CN1CCOC2(CCCCC2)C1 ZINC000176171153 408300336 /nfs/dbraw/zinc/30/03/36/408300336.db2.gz DTOMSJMDCSVPKV-OAHLLOKOSA-N 0 1 313.438 1.578 10 0 DDAEMN C[C@@H](CN1CC[C@@H](CNc2ccccn2)C1)CS(C)(=O)=O ZINC000246630167 408306797 /nfs/dbraw/zinc/30/67/97/408306797.db2.gz STLGPSFCXGADAH-KBPBESRZSA-N 0 1 311.451 1.496 10 0 DDAEMN CCc1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000136367708 162117454 /nfs/dbraw/zinc/11/74/54/162117454.db2.gz HPEOJTGRWMKPEY-ZDUSSCGKSA-N 0 1 314.393 1.503 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246809226 408345530 /nfs/dbraw/zinc/34/55/30/408345530.db2.gz KLOPAWSQEFDTBF-ZNMIVQPWSA-N 0 1 300.443 1.495 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(Cc3cscn3)CC2)C1 ZINC000171574955 162225756 /nfs/dbraw/zinc/22/57/56/162225756.db2.gz KRCLBRIVBZPGLM-MRXNPFEDSA-N 0 1 324.494 1.370 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)n[nH]1 ZINC000173530713 162345424 /nfs/dbraw/zinc/34/54/24/162345424.db2.gz KKPHPBPJFICKQT-GFCCVEGCSA-N 0 1 318.381 1.278 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)CCN1C[C@H](C)O ZINC000247018576 408386525 /nfs/dbraw/zinc/38/65/25/408386525.db2.gz COQRFTKCBUKZJA-HRCADAONSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3ccccc3N(C)C)CCO2)n[nH]1 ZINC000173674235 162354981 /nfs/dbraw/zinc/35/49/81/162354981.db2.gz QPUAYDVDYLMDKL-OAHLLOKOSA-N 0 1 301.394 1.753 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n[nH]1 ZINC000173673652 162355854 /nfs/dbraw/zinc/35/58/54/162355854.db2.gz FSQCBXDDYZAVFC-AWEZNQCLSA-N 0 1 321.425 1.278 10 0 DDAEMN Cc1ccc([C@@H](CNC(=O)CN(C)C)N2CCOCC2)s1 ZINC000176555704 408393830 /nfs/dbraw/zinc/39/38/30/408393830.db2.gz FXGZRAZQIQDSEF-CYBMUJFWSA-N 0 1 311.451 1.108 10 0 DDAEMN CC[C@H]1CN([C@H](C)C(=O)NC2CCCC2)CCN1CCOC ZINC000247105520 408409935 /nfs/dbraw/zinc/40/99/35/408409935.db2.gz IPOHTWKGCFIJET-ZBFHGGJFSA-N 0 1 311.470 1.476 10 0 DDAEMN CCOCCN1CCN(CCn2c(C)csc2=O)C[C@H]1C ZINC000247251290 408439090 /nfs/dbraw/zinc/43/90/90/408439090.db2.gz UADGIXGCARJGQV-CYBMUJFWSA-N 0 1 313.467 1.261 10 0 DDAEMN CC[C@@H]1C[C@H](C(=O)N2CCN(CCOC)[C@H](CC)C2)CCO1 ZINC000183828995 408495991 /nfs/dbraw/zinc/49/59/91/408495991.db2.gz GPVKDMKBIHQKIT-BZUAXINKSA-N 0 1 312.454 1.761 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177253499 408564925 /nfs/dbraw/zinc/56/49/25/408564925.db2.gz SQGBYDRGMCFVKX-SOUVJXGZSA-N 0 1 311.470 1.332 10 0 DDAEMN CC(C)CCOCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248694287 408617605 /nfs/dbraw/zinc/61/76/05/408617605.db2.gz YLFZVFFHLDEWMS-GJZGRUSLSA-N 0 1 315.458 1.146 10 0 DDAEMN CC(C)CCOCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248694287 408617610 /nfs/dbraw/zinc/61/76/10/408617610.db2.gz YLFZVFFHLDEWMS-GJZGRUSLSA-N 0 1 315.458 1.146 10 0 DDAEMN CC[C@@H]1CN([C@H](C)c2nnnn2C2CC2)CCN1CCOC ZINC000248901605 408658669 /nfs/dbraw/zinc/65/86/69/408658669.db2.gz VKOBLSYYJDVNDC-CHWSQXEVSA-N 0 1 308.430 1.112 10 0 DDAEMN CCOCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000184887239 408711013 /nfs/dbraw/zinc/71/10/13/408711013.db2.gz BBSDMNNXAOBRMD-CABCVRRESA-N 0 1 315.458 1.290 10 0 DDAEMN CCC[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C)CCN1CCOC ZINC000249393094 408723343 /nfs/dbraw/zinc/72/33/43/408723343.db2.gz GGCCSSCIEIHEEM-XHSDSOJGSA-N 0 1 312.454 1.761 10 0 DDAEMN CCn1cnnc1C1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177713778 408693282 /nfs/dbraw/zinc/69/32/82/408693282.db2.gz IXGPKAVDDVPOBL-OAHLLOKOSA-N 0 1 319.453 1.877 10 0 DDAEMN C[C@H](CN1C[C@H](CO)[C@@H](c2ccsc2)C1)CS(C)(=O)=O ZINC000249590815 408747558 /nfs/dbraw/zinc/74/75/58/408747558.db2.gz VJCVVZDXJCRILT-MRVWCRGKSA-N 0 1 317.476 1.437 10 0 DDAEMN C[S@](=O)Cc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000249829974 408767594 /nfs/dbraw/zinc/76/75/94/408767594.db2.gz NELKYNRXHJYQDB-BTYIYWSLSA-N 0 1 306.431 1.485 10 0 DDAEMN CCCC(=O)N1CCC[C@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250154378 408777341 /nfs/dbraw/zinc/77/73/41/408777341.db2.gz MVSHCMRBKOIYIW-HOTGVXAUSA-N 0 1 321.465 1.722 10 0 DDAEMN O=S(=O)([N-]CC[C@@H]1CC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000262762353 163875403 /nfs/dbraw/zinc/87/54/03/163875403.db2.gz RSVTZHICEFXIDX-QMMMGPOBSA-N 0 1 308.325 1.382 10 0 DDAEMN C[N@@H+](C[C@H](O)COCc1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000309758678 409788156 /nfs/dbraw/zinc/78/81/56/409788156.db2.gz XMFYBHQDNURULM-HNNXBMFYSA-N 0 1 307.390 1.893 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCF)[N@@H+]1Cc1ccccc1 ZINC000630662534 422250417 /nfs/dbraw/zinc/25/04/17/422250417.db2.gz FBXGALUVACAPHM-UONOGXRCSA-N 0 1 308.353 1.580 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCF)[N@H+]1Cc1ccccc1 ZINC000630662534 422250421 /nfs/dbraw/zinc/25/04/21/422250421.db2.gz FBXGALUVACAPHM-UONOGXRCSA-N 0 1 308.353 1.580 10 0 DDAEMN CO[C@@H]1CN(C(=O)N(C)C2CCCCC2)C[C@H]1c1c[nH]nn1 ZINC000657145703 424157515 /nfs/dbraw/zinc/15/75/15/424157515.db2.gz PYKCKJGMIOSEJM-GXTWGEPZSA-N 0 1 307.398 1.603 10 0 DDAEMN CO[C@@H]1CN(C(=O)N(C)C2CCCCC2)C[C@H]1c1cnn[nH]1 ZINC000657145703 424157522 /nfs/dbraw/zinc/15/75/22/424157522.db2.gz PYKCKJGMIOSEJM-GXTWGEPZSA-N 0 1 307.398 1.603 10 0 DDAEMN CCOCCN1CCN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1C ZINC000117274868 276321808 /nfs/dbraw/zinc/32/18/08/276321808.db2.gz JVMFVAWCVZORIT-ZDUSSCGKSA-N 0 1 316.405 1.746 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCN1CCO[C@@H](C)C1 ZINC000249211071 277105674 /nfs/dbraw/zinc/10/56/74/277105674.db2.gz CWHHIXSZZQMISI-VGWMRTNUSA-N 0 1 310.438 1.513 10 0 DDAEMN C[C@H](C(=O)N1CCCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173932962 279192614 /nfs/dbraw/zinc/19/26/14/279192614.db2.gz FFMBUKOOFCUVME-CVEARBPZSA-N 0 1 309.454 1.184 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccsc2C(=O)OC)CC1 ZINC000121230670 281134673 /nfs/dbraw/zinc/13/46/73/281134673.db2.gz WVRHDKHISSHCCQ-ZDUSSCGKSA-N 0 1 312.435 1.423 10 0 DDAEMN C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)N1CCCCCC1 ZINC000074591410 298166822 /nfs/dbraw/zinc/16/68/22/298166822.db2.gz WMFSGMNCMNOFNX-LSDHHAIUSA-N 0 1 309.454 1.768 10 0 DDAEMN CCn1cc(C2CCN(C(=O)c3ccc(CN)o3)CC2)cn1 ZINC000167166372 484087570 /nfs/dbraw/zinc/08/75/70/484087570.db2.gz PWFOIQBOLGTMIN-UHFFFAOYSA-N 0 1 302.378 1.975 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(N)cc1F ZINC000251664977 484247699 /nfs/dbraw/zinc/24/76/99/484247699.db2.gz HAZVJCOWWUPJDE-JQWIXIFHSA-N 0 1 313.398 1.265 10 0 DDAEMN O=S(=O)(c1cccnc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000038109918 696136452 /nfs/dbraw/zinc/13/64/52/696136452.db2.gz ZFADVEPHSMKRTM-SNVBAGLBSA-N 0 1 301.799 1.204 10 0 DDAEMN COCCN1CCN(Cn2cnc3cc(F)c(F)cc32)C[C@H]1C ZINC000117322762 696670318 /nfs/dbraw/zinc/67/03/18/696670318.db2.gz XHODNLQDWPTOIB-GFCCVEGCSA-N 0 1 324.375 1.925 10 0 DDAEMN COCCN1CCN(Cn2ncn(C3CC3)c2=S)C[C@H]1C ZINC000117321622 696670652 /nfs/dbraw/zinc/67/06/52/696670652.db2.gz RZGKVUQFLQQHMK-GFCCVEGCSA-N 0 1 311.455 1.359 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(-c3cncc(Br)c3)no2)C1 ZINC000131829178 696809017 /nfs/dbraw/zinc/80/90/17/696809017.db2.gz BRGUQBPYTFCYNZ-RKDXNWHRSA-N 0 1 311.139 1.289 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171073841 697353974 /nfs/dbraw/zinc/35/39/74/697353974.db2.gz ZBCCXVQFCQJBTJ-LBPRGKRZSA-N 0 1 317.842 1.639 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC000220618225 697755494 /nfs/dbraw/zinc/75/54/94/697755494.db2.gz QSFJIWMUHOOEAW-VIFPVBQESA-N 0 1 311.345 1.631 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(CCOC)[C@@H](C)C1 ZINC000245705969 698337639 /nfs/dbraw/zinc/33/76/39/698337639.db2.gz FACKVNWUVOWRND-LBPRGKRZSA-N 0 1 314.861 1.788 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)c2ccc(F)cc2)C[C@H]1C ZINC000247161517 698362238 /nfs/dbraw/zinc/36/22/38/698362238.db2.gz MIIYLXWWGYAJLV-PBHICJAKSA-N 0 1 310.413 1.902 10 0 DDAEMN CCOC1CC(CC(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)C1 ZINC000249160869 698388271 /nfs/dbraw/zinc/38/82/71/698388271.db2.gz ZSWCFJIZISYTSX-UIDBIOKJSA-N 0 1 312.454 1.495 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2cccc(C)c2)C1 ZINC000262708344 698478482 /nfs/dbraw/zinc/47/84/82/698478482.db2.gz KNBQQSNLXXCPDM-UHFFFAOYSA-N 0 1 318.417 1.981 10 0 DDAEMN CCc1cnccc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263451117 698507572 /nfs/dbraw/zinc/50/75/72/698507572.db2.gz SKDADPIFWUBOHS-UHFFFAOYSA-N 0 1 305.378 1.311 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(OC)cc2)C1 ZINC000263484865 698509255 /nfs/dbraw/zinc/50/92/55/698509255.db2.gz MFHVAGRGIGETGC-UHFFFAOYSA-N 0 1 321.377 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nnnn2-c2ccccc2)C1 ZINC000263516198 698510918 /nfs/dbraw/zinc/51/09/18/698510918.db2.gz ABJKAOJPHGUZFV-UHFFFAOYSA-N 0 1 316.365 1.012 10 0 DDAEMN CC(C)(C)S(=O)(=O)CCCN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000718784848 699295184 /nfs/dbraw/zinc/29/51/84/699295184.db2.gz IIZPATSHEDNAAO-BFHYXJOUSA-N 0 1 303.468 1.683 10 0 DDAEMN COCc1nc(CNC[C@]2(OC(C)C)CCOC2)cs1 ZINC000722345374 699317703 /nfs/dbraw/zinc/31/77/03/699317703.db2.gz REPOGBVVVYJGPU-CQSZACIVSA-N 0 1 300.424 1.963 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NC/C=C/c2ccccc2)[N@@H+]1C1CC1 ZINC000888101899 709214263 /nfs/dbraw/zinc/21/42/63/709214263.db2.gz RAKUNJZPQIJLJJ-KBKYZLAFSA-N 0 1 314.385 1.896 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NC/C=C/c2ccccc2)[N@H+]1C1CC1 ZINC000888101899 709214265 /nfs/dbraw/zinc/21/42/65/709214265.db2.gz RAKUNJZPQIJLJJ-KBKYZLAFSA-N 0 1 314.385 1.896 10 0 DDAEMN O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000908154400 712699566 /nfs/dbraw/zinc/69/95/66/712699566.db2.gz CKYYHIPBHNZJAO-AVGNSLFASA-N 0 1 319.409 1.581 10 0 DDAEMN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(F)nc1 ZINC000930426478 713832034 /nfs/dbraw/zinc/83/20/34/713832034.db2.gz LNWZKHKOLCDOOE-KANYHAFZSA-N 0 1 317.368 1.577 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H]2CC=CCC2)CCN1C[C@H](C)O ZINC000248465847 282086208 /nfs/dbraw/zinc/08/62/08/282086208.db2.gz ZYJSEOBKPGNGJL-HRCADAONSA-N 0 1 309.454 1.829 10 0 DDAEMN COc1ccc([C@@H](N)CS(=O)(=O)C(C)(C)C)cc1OC ZINC000081924337 192339924 /nfs/dbraw/zinc/33/99/24/192339924.db2.gz HVAKMSXOQAWLJA-NSHDSACASA-N 0 1 301.408 1.917 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000081943657 192343769 /nfs/dbraw/zinc/34/37/69/192343769.db2.gz SQUDHTBBTCCGKJ-LBPRGKRZSA-N 0 1 317.407 1.026 10 0 DDAEMN O=S1(=O)CC[C@@H](NCCc2c[nH]cn2)c2cc(F)ccc21 ZINC000087543998 185227838 /nfs/dbraw/zinc/22/78/38/185227838.db2.gz FRLXPWLHUADTLO-CYBMUJFWSA-N 0 1 309.366 1.600 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N2CCCC2(C)C)c1S(N)(=O)=O ZINC000087900313 185236465 /nfs/dbraw/zinc/23/64/65/185236465.db2.gz YHMAHAXSJMGVQC-UHFFFAOYSA-N 0 1 314.411 1.195 10 0 DDAEMN CCC(CC)N1C[C@H](C(=O)N2CCN3CCCC[C@H]3C2)CC1=O ZINC000249866734 282196987 /nfs/dbraw/zinc/19/69/87/282196987.db2.gz ICTIBCIPOXNJAS-ZBFHGGJFSA-N 0 1 321.465 1.720 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@H](C)c1ccccc1OC)C(C)C ZINC000183676100 539243136 /nfs/dbraw/zinc/24/31/36/539243136.db2.gz FMQORIGGJKGTPO-MLGOLLRUSA-N 0 1 321.421 1.233 10 0 DDAEMN COC(=O)CCS(=O)(=O)C[C@@H](N)c1c(C)cc(C)cc1C ZINC000081974394 192348601 /nfs/dbraw/zinc/34/86/01/192348601.db2.gz NROSKXURRAVYPL-CYBMUJFWSA-N 0 1 313.419 1.590 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1cc(C)ccc1OC)C(C)C ZINC000183684879 539242858 /nfs/dbraw/zinc/24/28/58/539242858.db2.gz LDLULRCRGZETPE-OAHLLOKOSA-N 0 1 307.394 1.302 10 0 DDAEMN CCCOc1ccc([C@H](N)CS(=O)(=O)CCCOC)cc1 ZINC000081985871 192348739 /nfs/dbraw/zinc/34/87/39/192348739.db2.gz TUJSMHJNECOGQF-OAHLLOKOSA-N 0 1 315.435 1.927 10 0 DDAEMN CN[C@H](CS(=O)(=O)C(C)C)c1ccc(OC)c(OC)c1 ZINC000081980377 192349089 /nfs/dbraw/zinc/34/90/89/192349089.db2.gz SWQXJPFQRCNBIL-GFCCVEGCSA-N 0 1 301.408 1.788 10 0 DDAEMN COc1ccc(C[C@@H](C)N[C@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853982 185267308 /nfs/dbraw/zinc/26/73/08/185267308.db2.gz ZAODRNBWVBUNKJ-YPMHNXCESA-N 0 1 311.403 1.535 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1ccc(C)cc1 ZINC000088877643 185268121 /nfs/dbraw/zinc/26/81/21/185268121.db2.gz LYHOBXINICUCCW-UHFFFAOYSA-N 0 1 309.391 1.340 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)Cc1cccc(CO)c1 ZINC000088895199 185270184 /nfs/dbraw/zinc/27/01/84/185270184.db2.gz KLIAQARPWQTELL-UHFFFAOYSA-N 0 1 314.451 1.282 10 0 DDAEMN C[N@@H+](Cc1cccc(Br)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389238 185294023 /nfs/dbraw/zinc/29/40/23/185294023.db2.gz LXKVSRMMNVWYAC-NWDGAFQWSA-N 0 1 314.179 1.981 10 0 DDAEMN Cc1ccc(N)c(C)c1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092622542 185330001 /nfs/dbraw/zinc/33/00/01/185330001.db2.gz JGCZKWZCDKFYIY-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN CC(C)N(Cc1cccs1)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092781609 185340606 /nfs/dbraw/zinc/34/06/06/185340606.db2.gz FGGJSFNXDUSRHN-ZDUSSCGKSA-N 0 1 304.419 1.923 10 0 DDAEMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000092924524 185349423 /nfs/dbraw/zinc/34/94/23/185349423.db2.gz VOGAGOITSRHQEK-CMPLNLGQSA-N 0 1 308.403 1.428 10 0 DDAEMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000092940882 185350089 /nfs/dbraw/zinc/35/00/89/185350089.db2.gz QQLBMSZDXUCKFT-KOLCDFICSA-N 0 1 311.407 1.069 10 0 DDAEMN Cc1ccc(N2CC[C@@H](NC[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000119321285 185726160 /nfs/dbraw/zinc/72/61/60/185726160.db2.gz VRYLLVUWJCLVPZ-HZPDHXFCSA-N 0 1 303.406 1.021 10 0 DDAEMN O=C([O-])c1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(F)(F)F)cc1 ZINC000616570083 539559807 /nfs/dbraw/zinc/55/98/07/539559807.db2.gz PVKDEROQNYTGAH-WDEREUQCSA-N 0 1 316.279 1.509 10 0 DDAEMN CC(=O)c1sc(NC(=O)Cc2csc(CN)n2)nc1C ZINC000071696432 191008391 /nfs/dbraw/zinc/00/83/91/191008391.db2.gz YXJXGGDPYLOQPY-UHFFFAOYSA-N 0 1 310.404 1.751 10 0 DDAEMN C[C@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C)CC1 ZINC000072294550 191110856 /nfs/dbraw/zinc/11/08/56/191110856.db2.gz HWBNLNHBYLCAFC-XETPBLJFSA-N 0 1 323.462 1.213 10 0 DDAEMN COc1c(CN2CCC(Cn3cncn3)CC2)c(C)nn1C ZINC000189969837 186256569 /nfs/dbraw/zinc/25/65/69/186256569.db2.gz ZAARAABOTXKYJW-UHFFFAOYSA-N 0 1 304.398 1.241 10 0 DDAEMN Nc1ccc(C(=O)NCCc2nc[nH]n2)cc1Br ZINC000080625720 192174882 /nfs/dbraw/zinc/17/48/82/192174882.db2.gz XEPHJMPHIACKNZ-UHFFFAOYSA-N 0 1 310.155 1.122 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)COc3ccccc3)CCO2)n[nH]1 ZINC000173570747 198229011 /nfs/dbraw/zinc/22/90/11/198229011.db2.gz YVHDGPYKUGXYQT-ZDUSSCGKSA-N 0 1 316.361 1.346 10 0 DDAEMN CCOC(=O)C[C@]1(N2CCCCCC2)CCCS(=O)(=O)C1 ZINC000080685225 192181678 /nfs/dbraw/zinc/18/16/78/192181678.db2.gz MVVIMXHUJIAJOM-OAHLLOKOSA-N 0 1 317.451 1.763 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N2CCC(C)CC2)n1 ZINC000080868545 192196596 /nfs/dbraw/zinc/19/65/96/192196596.db2.gz KYRXZFZNTUZELY-JTQLQIEISA-N 0 1 318.468 1.812 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cccc(CN2CCOCC2)n1)N(C)C ZINC000179504216 199046398 /nfs/dbraw/zinc/04/63/98/199046398.db2.gz XGHXLHUJISWXET-HNNXBMFYSA-N 0 1 320.437 1.583 10 0 DDAEMN NC(=O)[C@@H](O)C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000299745879 283314548 /nfs/dbraw/zinc/31/45/48/283314548.db2.gz TUJBXYSISIDRJI-GJZGRUSLSA-N 0 1 308.809 1.886 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3c[nH]nc3C3CC3)CCO2)n[nH]1 ZINC000187367595 200102573 /nfs/dbraw/zinc/10/25/73/200102573.db2.gz AFJPLQOXIJSEIK-LLVKDONJSA-N 0 1 316.365 1.181 10 0 DDAEMN COC(=O)C[C@@H](NC(=O)c1coc(CN)c1)c1ccccc1 ZINC000187279882 200087633 /nfs/dbraw/zinc/08/76/33/200087633.db2.gz MCTWNVDCSGRKJD-CQSZACIVSA-N 0 1 302.330 1.773 10 0 DDAEMN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193410848 201048472 /nfs/dbraw/zinc/04/84/72/201048472.db2.gz CDSPXARQXFZPHS-APPZFPTMSA-N 0 1 308.325 1.380 10 0 DDAEMN CSC1(C(N)=S)CCN([C@H](C)C(=O)NC(C)C)CC1 ZINC000091488299 193063321 /nfs/dbraw/zinc/06/33/21/193063321.db2.gz XEFNQZVMYQSBJO-SNVBAGLBSA-N 0 1 303.497 1.383 10 0 DDAEMN Cc1nc(NC(=O)[C@H]2CNCCO2)ccc1Br ZINC000091507175 193066727 /nfs/dbraw/zinc/06/67/27/193066727.db2.gz RHUNXCSTVXZUMY-SECBINFHSA-N 0 1 300.156 1.079 10 0 DDAEMN O=C([O-])c1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000091677969 193090245 /nfs/dbraw/zinc/09/02/45/193090245.db2.gz NHJUDJUIPSLIQD-ZJUUUORDSA-N 0 1 310.375 1.039 10 0 DDAEMN CCOC(=O)c1ncsc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091681383 193090612 /nfs/dbraw/zinc/09/06/12/193090612.db2.gz WEYWFAANBMVWKW-MNOVXSKESA-N 0 1 311.407 1.595 10 0 DDAEMN Cc1n[nH]c(CNC(C)C)c1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113513 193161948 /nfs/dbraw/zinc/16/19/48/193161948.db2.gz KHIFOYDYTALIKP-PHIMTYICSA-N 0 1 314.455 1.493 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N[C@H]2C=CS(=O)(=O)C2)C1 ZINC000093208831 193215959 /nfs/dbraw/zinc/21/59/59/193215959.db2.gz IBLOBEUWJLZWKB-UTUOFQBUSA-N 0 1 316.423 1.333 10 0 DDAEMN CCn1cc(CN2CCC(N(C)c3cccnn3)CC2)cn1 ZINC000093272466 193222991 /nfs/dbraw/zinc/22/29/91/193222991.db2.gz IYOWBAWHJXJYOJ-UHFFFAOYSA-N 0 1 300.410 1.794 10 0 DDAEMN CC(C)OCCS(=O)(=O)N1CCNCC12CCCCC2 ZINC000093667011 193287146 /nfs/dbraw/zinc/28/71/46/193287146.db2.gz SPWPNCMASWAEMT-UHFFFAOYSA-N 0 1 304.456 1.349 10 0 DDAEMN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nccs1 ZINC000093681441 193287953 /nfs/dbraw/zinc/28/79/53/193287953.db2.gz XQTXIWDHAUYZLU-FGWVZKOKSA-N 0 1 309.391 1.799 10 0 DDAEMN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nccs1 ZINC000093681441 193287954 /nfs/dbraw/zinc/28/79/54/193287954.db2.gz XQTXIWDHAUYZLU-FGWVZKOKSA-N 0 1 309.391 1.799 10 0 DDAEMN Nc1cc(Br)ccc1C(=O)N[C@H]1CN2CCC1CC2 ZINC000094026381 193340122 /nfs/dbraw/zinc/34/01/22/193340122.db2.gz CQUSZPNZLGUTSB-ZDUSSCGKSA-N 0 1 324.222 1.855 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H](Sc2nc(N)cc(N)n2)C1 ZINC000094637412 193387082 /nfs/dbraw/zinc/38/70/82/193387082.db2.gz RWIXOTIPMWZMGS-HTQZYQBOSA-N 0 1 302.425 1.089 10 0 DDAEMN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1N)c1nn[nH]n1 ZINC000094595883 193382218 /nfs/dbraw/zinc/38/22/18/193382218.db2.gz DFHXZCMNRBZJOH-YFKPBYRVSA-N 0 1 300.244 1.292 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)NC1CCN(C)CC1 ZINC000094779184 193396511 /nfs/dbraw/zinc/39/65/11/193396511.db2.gz BFIYQAOQJYFCMP-UHFFFAOYSA-N 0 1 301.387 1.089 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000040503079 183084419 /nfs/dbraw/zinc/08/44/19/183084419.db2.gz MGEGZGLYERRJJG-LBPRGKRZSA-N 0 1 312.391 1.147 10 0 DDAEMN Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCNCC2)s1 ZINC000040508307 183086039 /nfs/dbraw/zinc/08/60/39/183086039.db2.gz FOTYIWVRCVBCRQ-GFCCVEGCSA-N 0 1 307.419 1.093 10 0 DDAEMN Cc1ccc(S(=O)(=O)NCCN2CCCCCC2)c(N)c1 ZINC000040767311 183130962 /nfs/dbraw/zinc/13/09/62/183130962.db2.gz XRIAORMDEGFVHA-UHFFFAOYSA-N 0 1 311.451 1.732 10 0 DDAEMN Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)c(N)c1 ZINC000041023514 183156853 /nfs/dbraw/zinc/15/68/53/183156853.db2.gz KASWBEVVACVKHY-UHFFFAOYSA-N 0 1 304.379 1.262 10 0 DDAEMN CCCC[N@@H+](C)CC1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000041073597 183163377 /nfs/dbraw/zinc/16/33/77/183163377.db2.gz CFMVBASXXGTEQE-UHFFFAOYSA-N 0 1 300.399 1.058 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2ccc3c(c2)CCO3)C1 ZINC000284630947 218106964 /nfs/dbraw/zinc/10/69/64/218106964.db2.gz SRUCJRLGJBIBIA-KGLIPLIRSA-N 0 1 300.362 1.702 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000105620746 194115634 /nfs/dbraw/zinc/11/56/34/194115634.db2.gz NCQGHIZUIJEYPP-QMMMGPOBSA-N 0 1 308.325 1.429 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105826747 194138595 /nfs/dbraw/zinc/13/85/95/194138595.db2.gz IZABESOQVGLLLL-OWCLPIDISA-N 0 1 313.486 1.458 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2ccccc2)C[C@H]1C ZINC000105833221 194143250 /nfs/dbraw/zinc/14/32/50/194143250.db2.gz MWIDTHYIFGSDAV-CVEARBPZSA-N 0 1 308.422 1.079 10 0 DDAEMN Cc1noc(C)c1CN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000284948540 218247499 /nfs/dbraw/zinc/24/74/99/218247499.db2.gz DXPXUCANTITEHP-MRXNPFEDSA-N 0 1 319.409 1.947 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2cccnc2)C[C@H]1CC ZINC000105838036 194144946 /nfs/dbraw/zinc/14/49/46/194144946.db2.gz GCXCIQXPVMBRPG-MRXNPFEDSA-N 0 1 320.437 1.724 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886844 194157660 /nfs/dbraw/zinc/15/76/60/194157660.db2.gz HDBJZCVILPVHOT-CQSZACIVSA-N 0 1 308.426 1.136 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCC(c2nncn2CC)CC1 ZINC000105929152 194173407 /nfs/dbraw/zinc/17/34/07/194173407.db2.gz KHGLAPKKNNUREB-CYBMUJFWSA-N 0 1 307.442 1.734 10 0 DDAEMN COCCN1CCN(Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000106109140 194187650 /nfs/dbraw/zinc/18/76/50/194187650.db2.gz VBRRCADWTXWSSY-CQSZACIVSA-N 0 1 308.422 1.856 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)OC)o2)C[C@@H]1CC ZINC000106119233 194188111 /nfs/dbraw/zinc/18/81/11/194188111.db2.gz MPWXZVMVSMXUOD-AWEZNQCLSA-N 0 1 324.421 1.999 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000638277760 422797170 /nfs/dbraw/zinc/79/71/70/422797170.db2.gz CLXNWNNWCRNPLT-AEGPPILISA-N 0 1 308.422 1.442 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000109464310 194266289 /nfs/dbraw/zinc/26/62/89/194266289.db2.gz GTOOPEYBAMWLQR-LBPRGKRZSA-N 0 1 309.435 1.801 10 0 DDAEMN Cc1nc(/C=C/C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cs1 ZINC000061145004 184162928 /nfs/dbraw/zinc/16/29/28/184162928.db2.gz DOOTUHYMRJXJHF-ONEGZZNKSA-N 0 1 309.391 1.084 10 0 DDAEMN CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)[C@@H](C)CC(=O)[O-] ZINC000061182597 184165284 /nfs/dbraw/zinc/16/52/84/184165284.db2.gz XEVKFPSDQOZXPU-JTQLQIEISA-N 0 1 313.423 1.459 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(N)c(F)cc1F ZINC000061642493 184180132 /nfs/dbraw/zinc/18/01/32/184180132.db2.gz LLRWAGBMQGIHNZ-VIFPVBQESA-N 0 1 319.377 1.262 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000120680447 195215347 /nfs/dbraw/zinc/21/53/47/195215347.db2.gz IPKIGMBRBVEKTM-VXGBXAGGSA-N 0 1 312.360 1.421 10 0 DDAEMN CC(C)(O)CN1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000151530052 196693691 /nfs/dbraw/zinc/69/36/91/196693691.db2.gz HLBYINJWBSJGJM-AWEZNQCLSA-N 0 1 319.405 1.218 10 0 DDAEMN O=C([C@@H]1CC[C@H]2[C@H](CCN2Cc2ccco2)O1)N1CCOCC1 ZINC000247798952 257116960 /nfs/dbraw/zinc/11/69/60/257116960.db2.gz TUNKWYKOCOMDEA-JYJNAYRXSA-N 0 1 320.389 1.260 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccccn2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247769440 257117306 /nfs/dbraw/zinc/11/73/06/257117306.db2.gz NJORSOYFTSXFBV-OAGGEKHMSA-N 0 1 317.389 1.082 10 0 DDAEMN O=C([C@@H]1CCCO1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC000247761542 257118679 /nfs/dbraw/zinc/11/86/79/257118679.db2.gz HUSYSCCFKNZBCK-HNNXBMFYSA-N 0 1 318.421 1.043 10 0 DDAEMN C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503719135 257208507 /nfs/dbraw/zinc/20/85/07/257208507.db2.gz YZPABFKWOHDFQF-IRXDYDNUSA-N 0 1 307.413 1.272 10 0 DDAEMN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CC[C@H](N(C)C)C2)c1C ZINC000128718304 407566968 /nfs/dbraw/zinc/56/69/68/407566968.db2.gz MEORKLSNSKNLHJ-ZDUSSCGKSA-N 0 1 324.446 1.483 10 0 DDAEMN NCc1ccc(Cn2cc(I)cn2)o1 ZINC000070678977 406819843 /nfs/dbraw/zinc/81/98/43/406819843.db2.gz PDCGTILASRDCMD-UHFFFAOYSA-N 0 1 303.103 1.588 10 0 DDAEMN O=C1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1 ZINC000122645581 407307412 /nfs/dbraw/zinc/30/74/12/407307412.db2.gz HHOKUNJMPVWROX-CYBMUJFWSA-N 0 1 307.781 1.655 10 0 DDAEMN O=C(NC1CCC2(CC1)OCCO2)N1CCN2CCCC[C@H]2C1 ZINC000105120650 407352905 /nfs/dbraw/zinc/35/29/05/407352905.db2.gz VIEXWLJPRYUYGD-HNNXBMFYSA-N 0 1 323.437 1.552 10 0 DDAEMN Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000106513336 407359234 /nfs/dbraw/zinc/35/92/34/407359234.db2.gz WQZMQEMDSNDCOW-HOTGVXAUSA-N 0 1 318.465 1.991 10 0 DDAEMN CN(C[C@H]1CCCN1c1cccnn1)c1ncnc2[nH]cnc21 ZINC000108946910 407393212 /nfs/dbraw/zinc/39/32/12/407393212.db2.gz AOONYNHVKCXGKE-LLVKDONJSA-N 0 1 310.365 1.248 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126691951 407419454 /nfs/dbraw/zinc/41/94/54/407419454.db2.gz KWSVPSDUDKPZAS-LLVKDONJSA-N 0 1 311.349 1.102 10 0 DDAEMN CC1(C)CO[C@@H](c2ccccc2)CN1CCCC(=O)NC(N)=O ZINC000170778927 407502711 /nfs/dbraw/zinc/50/27/11/407502711.db2.gz VQGWZPQDDFMEQV-CQSZACIVSA-N 0 1 319.405 1.814 10 0 DDAEMN CNc1nc(NC)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000253577383 407462004 /nfs/dbraw/zinc/46/20/04/407462004.db2.gz WZVFWDWGXLUYBD-UHFFFAOYSA-N 0 1 323.401 1.012 10 0 DDAEMN COc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2)cn1 ZINC000224285930 407576560 /nfs/dbraw/zinc/57/65/60/407576560.db2.gz KUTZGDVHGLVOCG-UHFFFAOYSA-N 0 1 309.347 1.603 10 0 DDAEMN CC(C)(C)n1cc(CN2CCN(C(=O)c3ccn[nH]3)CC2)cn1 ZINC000113860798 407526160 /nfs/dbraw/zinc/52/61/60/407526160.db2.gz YWZDHTSNSSUWGP-UHFFFAOYSA-N 0 1 316.409 1.319 10 0 DDAEMN COc1c(CN2CCC[C@@H](Cn3cncn3)C2)c(C)nn1C ZINC000128472143 407537563 /nfs/dbraw/zinc/53/75/63/407537563.db2.gz DRLWYGOQNGBSPC-CYBMUJFWSA-N 0 1 304.398 1.241 10 0 DDAEMN NC(=O)c1csc(CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128479415 407542774 /nfs/dbraw/zinc/54/27/74/407542774.db2.gz CSVORGPFHPCTSN-NSHDSACASA-N 0 1 305.407 1.351 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000170873439 407543044 /nfs/dbraw/zinc/54/30/44/407543044.db2.gz DPZJBAGOBDBVBM-JTQLQIEISA-N 0 1 320.361 1.613 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(O)c(Cl)c1)CC2 ZINC000114890435 407631745 /nfs/dbraw/zinc/63/17/45/407631745.db2.gz PJRKJBIOSAKOQR-SNVBAGLBSA-N 0 1 320.780 1.944 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000171553454 407703440 /nfs/dbraw/zinc/70/34/40/407703440.db2.gz NAIZHTMQOHHIIV-UONOGXRCSA-N 0 1 319.453 1.680 10 0 DDAEMN CN[C@H](C(N)=O)c1ccc(Br)c(Br)c1 ZINC000234469172 407706859 /nfs/dbraw/zinc/70/68/59/407706859.db2.gz CQRNIAUZANEEKM-QMMMGPOBSA-N 0 1 322.000 1.957 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000262219188 407769489 /nfs/dbraw/zinc/76/94/89/407769489.db2.gz FOJDASHJORTLQQ-KRWDZBQOSA-N 0 1 314.385 1.952 10 0 DDAEMN Cc1nc([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n[nH]1 ZINC000180111761 407854789 /nfs/dbraw/zinc/85/47/89/407854789.db2.gz OCMXSXHPGBXYQB-MRXNPFEDSA-N 0 1 312.373 1.962 10 0 DDAEMN CC(=O)Nc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000180109762 407856649 /nfs/dbraw/zinc/85/66/49/407856649.db2.gz ZXAXASBNEKIUSO-HNNXBMFYSA-N 0 1 315.377 1.645 10 0 DDAEMN CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2)CCN1CCOC ZINC000117880075 407867567 /nfs/dbraw/zinc/86/75/67/407867567.db2.gz FTGSCBMSBGHRDL-SJORKVTESA-N 0 1 320.433 1.943 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2cccs2)C1 ZINC000262696272 407905549 /nfs/dbraw/zinc/90/55/49/407905549.db2.gz DUIDUQSRPJEDKV-UNXYVOJBSA-N 0 1 310.419 1.905 10 0 DDAEMN CCS[C@H](C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)C(C)C ZINC000262720614 407906327 /nfs/dbraw/zinc/90/63/27/407906327.db2.gz PMABZBJAJFAQES-YIZWMMSDSA-N 0 1 316.467 1.818 10 0 DDAEMN CCS[C@@H](C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)C(C)C ZINC000262720613 407906504 /nfs/dbraw/zinc/90/65/04/407906504.db2.gz PMABZBJAJFAQES-ORHYLEIMSA-N 0 1 316.467 1.818 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000153532593 407846452 /nfs/dbraw/zinc/84/64/52/407846452.db2.gz AVULRKDPWRBFHD-DWTRPJMMSA-N 0 1 303.406 1.318 10 0 DDAEMN CCc1oc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1C ZINC000262929417 407974205 /nfs/dbraw/zinc/97/42/05/407974205.db2.gz LXYUQPHCHQURDV-LBPRGKRZSA-N 0 1 324.377 1.008 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)c2cccnc2)CCN1CCOC ZINC000174957954 408016611 /nfs/dbraw/zinc/01/66/11/408016611.db2.gz VZWMRMUAHOJDCL-GOEBONIOSA-N 0 1 305.422 1.754 10 0 DDAEMN CC[C@H]1CN(Cc2nc([C@@H](C)OC)no2)CCN1CCOC ZINC000175190408 408072739 /nfs/dbraw/zinc/07/27/39/408072739.db2.gz QCACUTNYWDSEEI-OLZOCXBDSA-N 0 1 312.414 1.320 10 0 DDAEMN C[C@@H](NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182192855 408090167 /nfs/dbraw/zinc/09/01/67/408090167.db2.gz AEKDRIWPJKVDQM-LLVKDONJSA-N 0 1 310.419 1.362 10 0 DDAEMN O[C@H](CCc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000182353109 408133929 /nfs/dbraw/zinc/13/39/29/408133929.db2.gz NBNLSXBQYHDCKB-MSOLQXFVSA-N 0 1 315.417 1.578 10 0 DDAEMN CC[C@@H]1CCCN(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263466215 408147089 /nfs/dbraw/zinc/14/70/89/408147089.db2.gz KCGJNWFZXJOARV-IYXRBSQSSA-N 0 1 311.426 1.756 10 0 DDAEMN CCCN(CC(F)F)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263483704 408151970 /nfs/dbraw/zinc/15/19/70/408151970.db2.gz OSAJRDUYJOIKQC-UHFFFAOYSA-N 0 1 321.368 1.611 10 0 DDAEMN CCOc1ccccc1CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263496775 408156706 /nfs/dbraw/zinc/15/67/06/408156706.db2.gz JWEQMEGCEYEISG-OAHLLOKOSA-N 0 1 322.405 1.303 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCO[C@H]1CCOC1 ZINC000150789418 408201698 /nfs/dbraw/zinc/20/16/98/408201698.db2.gz ZNUSIOOSROGPCT-IRXDYDNUSA-N 0 1 320.433 1.471 10 0 DDAEMN CC(C)N1CCC[C@H](N2CC[C@@H](Oc3cccnc3)C2)C1=O ZINC000246681736 408315553 /nfs/dbraw/zinc/31/55/53/408315553.db2.gz MMNVAQNYWOZRCP-CVEARBPZSA-N 0 1 303.406 1.934 10 0 DDAEMN COCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCC(C)CC1 ZINC000127866101 161934093 /nfs/dbraw/zinc/93/40/93/161934093.db2.gz FLKXCTHHQONCNI-CYBMUJFWSA-N 0 1 321.425 1.108 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C3(CCOC)CCC3)CCO2)n[nH]1 ZINC000133133605 162052641 /nfs/dbraw/zinc/05/26/41/162052641.db2.gz HKECDNAZGRDBHN-LBPRGKRZSA-N 0 1 322.409 1.474 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n[nH]1 ZINC000173548417 162347511 /nfs/dbraw/zinc/34/75/11/162347511.db2.gz LGVRGGVZSGUCJT-CYBMUJFWSA-N 0 1 320.324 1.231 10 0 DDAEMN Cc1cccc2nc(CN3CCN(C[C@H](C)O)[C@H](C)C3)cn21 ZINC000246988545 408382149 /nfs/dbraw/zinc/38/21/49/408382149.db2.gz AWSGPGJKORZGOW-CABCVRRESA-N 0 1 302.422 1.530 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000247234530 408433037 /nfs/dbraw/zinc/43/30/37/408433037.db2.gz MUYVOSSMFMSYPQ-MNOVXSKESA-N 0 1 315.826 1.592 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3cccc(F)c3)CCO2)n[nH]1 ZINC000176941462 408479185 /nfs/dbraw/zinc/47/91/85/408479185.db2.gz KWJVRVHPVKRXFF-LBPRGKRZSA-N 0 1 305.313 1.858 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)N3CCc4ccccc43)CCO2)n[nH]1 ZINC000176948093 408482653 /nfs/dbraw/zinc/48/26/53/408482653.db2.gz KKVJKVUCDYSIKI-AWEZNQCLSA-N 0 1 313.361 1.669 10 0 DDAEMN Cc1ccccc1CCNC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177755169 408703258 /nfs/dbraw/zinc/70/32/58/408703258.db2.gz UOHRPSKKJVVKDE-GOSISDBHSA-N 0 1 315.461 1.824 10 0 DDAEMN COC(=O)c1cccc2nc(NC(=O)C[C@H](O)C(C)C)[nH]c21 ZINC000162536742 408710423 /nfs/dbraw/zinc/71/04/23/408710423.db2.gz IUIRQFGDAMUDFG-NSHDSACASA-N 0 1 305.334 1.695 10 0 DDAEMN CCN(C[C@@H](O)COCc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000249459614 408729696 /nfs/dbraw/zinc/72/96/96/408729696.db2.gz ONOIULSFSDTQPF-ZIAGYGMSSA-N 0 1 321.339 1.809 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)N(C)C ZINC000162374540 408696263 /nfs/dbraw/zinc/69/62/63/408696263.db2.gz LVXUODCYHYTXJC-GFCCVEGCSA-N 0 1 305.378 1.711 10 0 DDAEMN CN(C)c1cccc(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000164452041 408798399 /nfs/dbraw/zinc/79/83/99/408798399.db2.gz NHLQUKSMSVFWKP-OAHLLOKOSA-N 0 1 317.437 1.527 10 0 DDAEMN CN(C)c1cccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000164452041 408798404 /nfs/dbraw/zinc/79/84/04/408798404.db2.gz NHLQUKSMSVFWKP-OAHLLOKOSA-N 0 1 317.437 1.527 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000193821314 408744477 /nfs/dbraw/zinc/74/44/77/408744477.db2.gz BRNCURYIEBIGAO-AWEZNQCLSA-N 0 1 300.399 1.729 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)NCCc2nnc(-c3ccccc3)[nH]2)O1 ZINC000162960245 408749124 /nfs/dbraw/zinc/74/91/24/408749124.db2.gz TXIVXHVDIURWQC-AAEUAGOBSA-N 0 1 300.362 1.698 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000194192942 408771005 /nfs/dbraw/zinc/77/10/05/408771005.db2.gz XCDZEUHNSASIPU-OLZOCXBDSA-N 0 1 321.387 1.861 10 0 DDAEMN CCn1cnnc1[C@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000249896978 408772793 /nfs/dbraw/zinc/77/27/93/408772793.db2.gz RTXNHKXSEYHRHL-LSDHHAIUSA-N 0 1 313.405 1.704 10 0 DDAEMN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000189325445 163095348 /nfs/dbraw/zinc/09/53/48/163095348.db2.gz FDQGJKCZAZAPBB-IONNQARKSA-N 0 1 308.325 1.523 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2Cl)N(C)C1 ZINC000345047052 409602789 /nfs/dbraw/zinc/60/27/89/409602789.db2.gz QIHPYQBFLFAONB-JSGCOSHPSA-N 0 1 314.788 1.857 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(NS(C)(=O)=O)cc1)N(C)C ZINC000131791529 196199126 /nfs/dbraw/zinc/19/91/26/196199126.db2.gz FOYCXQUFXDNMKD-CYBMUJFWSA-N 0 1 313.423 1.727 10 0 DDAEMN Cc1ccccc1OCCN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617964 422202227 /nfs/dbraw/zinc/20/22/27/422202227.db2.gz OCXDZODENBZXFA-INIZCTEOSA-N 0 1 302.378 1.476 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC2)[N@@H+]1Cc1ccccc1 ZINC000630647820 422240378 /nfs/dbraw/zinc/24/03/78/422240378.db2.gz CMKMGPWSFVIYLI-HUUCEWRRSA-N 0 1 302.374 1.773 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC2)[N@H+]1Cc1ccccc1 ZINC000630647820 422240382 /nfs/dbraw/zinc/24/03/82/422240382.db2.gz CMKMGPWSFVIYLI-HUUCEWRRSA-N 0 1 302.374 1.773 10 0 DDAEMN CCN(CC)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630654826 422243210 /nfs/dbraw/zinc/24/32/10/422243210.db2.gz DOSGSMQXBFWUTC-HUUCEWRRSA-N 0 1 304.390 1.973 10 0 DDAEMN CCN(CC)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630654826 422243218 /nfs/dbraw/zinc/24/32/18/422243218.db2.gz DOSGSMQXBFWUTC-HUUCEWRRSA-N 0 1 304.390 1.973 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)N2CC=CCC2)[N@@H+]1Cc1ccccc1 ZINC000630662715 422249486 /nfs/dbraw/zinc/24/94/86/422249486.db2.gz FUCMDACBMONOTH-JKSUJKDBSA-N 0 1 314.385 1.893 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)N2CC=CCC2)[N@H+]1Cc1ccccc1 ZINC000630662715 422249491 /nfs/dbraw/zinc/24/94/91/422249491.db2.gz FUCMDACBMONOTH-JKSUJKDBSA-N 0 1 314.385 1.893 10 0 DDAEMN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000194148712 263505843 /nfs/dbraw/zinc/50/58/43/263505843.db2.gz NVROXFSRBNFBPQ-CQSZACIVSA-N 0 1 319.405 1.624 10 0 DDAEMN Cc1cccc(C)c1NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000105932614 281209958 /nfs/dbraw/zinc/20/99/58/281209958.db2.gz MJDKMLISTHLNPJ-LSDHHAIUSA-N 0 1 305.422 1.551 10 0 DDAEMN Cc1ccccc1CCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246642468 282004129 /nfs/dbraw/zinc/00/41/29/282004129.db2.gz FUUXLWXHWWWQOO-CVEARBPZSA-N 0 1 304.434 1.841 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000173947485 298256573 /nfs/dbraw/zinc/25/65/73/298256573.db2.gz WYGUJARFLIQUTO-NWDGAFQWSA-N 0 1 312.360 1.421 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc(F)cc2O)C[C@@H]1N1CCOCC1 ZINC000123961152 300192633 /nfs/dbraw/zinc/19/26/33/300192633.db2.gz NVHLNSKMJSLKJM-FZMZJTMJSA-N 0 1 308.353 1.324 10 0 DDAEMN O=C1NCC[C@@H]1N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000378190906 302289345 /nfs/dbraw/zinc/28/93/45/302289345.db2.gz QJEWUBJWABUIGR-SCZZXKLOSA-N 0 1 302.300 1.496 10 0 DDAEMN CCc1ncc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)cn1 ZINC000584639239 337379855 /nfs/dbraw/zinc/37/98/55/337379855.db2.gz GSCRZQZALLVACA-CQSZACIVSA-N 0 1 313.361 1.347 10 0 DDAEMN O=S(=O)(c1ccccc1O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250251883 484244538 /nfs/dbraw/zinc/24/45/38/484244538.db2.gz YMOLOJZTOUKDCP-SWLSCSKDSA-N 0 1 311.403 1.708 10 0 DDAEMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000381782206 490777547 /nfs/dbraw/zinc/77/75/47/490777547.db2.gz FLFGTVGFYZCOJO-VQHPVUNQSA-N 0 1 319.401 1.749 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@@H]2CCCS2)C1 ZINC000262720714 518201409 /nfs/dbraw/zinc/20/14/09/518201409.db2.gz PRIGWEBQIYRSCZ-BPCQOVAHSA-N 0 1 312.435 1.326 10 0 DDAEMN CC(C)Oc1ccccc1CN1CCC([C@@H](O)C(N)=O)CC1 ZINC000299746072 528250890 /nfs/dbraw/zinc/25/08/90/528250890.db2.gz VCYKQERJALCTDA-MRXNPFEDSA-N 0 1 306.406 1.532 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@H](C)OC)CC1 ZINC000182144225 697470849 /nfs/dbraw/zinc/47/08/49/697470849.db2.gz YPEZURMINFBHCS-LBPRGKRZSA-N 0 1 314.861 1.788 10 0 DDAEMN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2ccc(F)nc2)cc1 ZINC000189111940 697571257 /nfs/dbraw/zinc/57/12/57/697571257.db2.gz VUSIHQCBEJFZAM-ZFWWWQNUSA-N 0 1 321.308 1.313 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(-n3cnnn3)cc1)C2 ZINC000220570443 697755271 /nfs/dbraw/zinc/75/52/71/697755271.db2.gz RRZGBORICUJJMD-NSHDSACASA-N 0 1 323.360 1.437 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000248901852 698383534 /nfs/dbraw/zinc/38/35/34/698383534.db2.gz VRSMCHSEMTXUIE-CABCVRRESA-N 0 1 310.438 1.515 10 0 DDAEMN CCOCCN1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000248901852 698383544 /nfs/dbraw/zinc/38/35/44/698383544.db2.gz VRSMCHSEMTXUIE-CABCVRRESA-N 0 1 310.438 1.515 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(F)cc1Br ZINC000262250321 698461235 /nfs/dbraw/zinc/46/12/35/698461235.db2.gz IPCLQFZIAUVBDT-SNVBAGLBSA-N 0 1 305.147 1.178 10 0 DDAEMN CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262917402 698484470 /nfs/dbraw/zinc/48/44/70/698484470.db2.gz GMCIPFCGDFXNFA-GWOFURMSSA-N 0 1 324.343 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2=CCCCC2)C1 ZINC000263337416 698500514 /nfs/dbraw/zinc/50/05/14/698500514.db2.gz DQUVKSRJEJRGCO-UHFFFAOYSA-N 0 1 309.410 1.724 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000263471737 698508804 /nfs/dbraw/zinc/50/88/04/698508804.db2.gz DROCJTDWVDYOPQ-BRWVUGGUSA-N 0 1 318.417 1.507 10 0 DDAEMN Cc1c[nH]c(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702763964 699232288 /nfs/dbraw/zinc/23/22/88/699232288.db2.gz OGWGZOWLXQLCFQ-NWDGAFQWSA-N 0 1 310.398 1.036 10 0 DDAEMN O=C(c1ccnc(Br)c1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720617374 699306637 /nfs/dbraw/zinc/30/66/37/699306637.db2.gz JPSCNLQAXICVBW-MRVPVSSYSA-N 0 1 323.154 1.335 10 0 DDAEMN CC(C)n1cncc1CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886088620 708696046 /nfs/dbraw/zinc/69/60/46/708696046.db2.gz KYXGZMGYEOEIFZ-INIZCTEOSA-N 0 1 318.425 1.162 10 0 DDAEMN CC(C)N1CC[C@H](N2CC[C@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000931119551 714007032 /nfs/dbraw/zinc/00/70/32/714007032.db2.gz HNYLIVPGISYMTC-ZFWWWQNUSA-N 0 1 303.410 1.412 10 0 DDAEMN COC(=O)c1cnc2nc(CNC(=O)OC(C)(C)C)[nH]c2c1 ZINC000095627183 185382706 /nfs/dbraw/zinc/38/27/06/185382706.db2.gz BJWIKXUUTUEXFJ-UHFFFAOYSA-N 0 1 306.322 1.769 10 0 DDAEMN C[C@@H](C(=O)c1ccc(Cl)cc1)[S@@](=O)CCS(C)(=O)=O ZINC000081910162 192338460 /nfs/dbraw/zinc/33/84/60/192338460.db2.gz VYZHMQPCMWRFNZ-NIVTXAMTSA-N 0 1 322.835 1.705 10 0 DDAEMN O=S1(=O)CC[C@H](N[C@@H]2CCC[C@H](O)C2)c2cc(F)ccc21 ZINC000037165443 539031500 /nfs/dbraw/zinc/03/15/00/539031500.db2.gz PZFODQOGVDIKOG-DYEKYZERSA-N 0 1 313.394 1.937 10 0 DDAEMN CCN[C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944445 192345479 /nfs/dbraw/zinc/34/54/79/192345479.db2.gz VWVLJQWGNKHWQB-IUODEOHRSA-N 0 1 315.435 1.796 10 0 DDAEMN C[C@H](NC(=O)c1sccc1Br)c1nn[nH]n1 ZINC000082614138 185191275 /nfs/dbraw/zinc/19/12/75/185191275.db2.gz ZKZWAXYPFFNKAD-BYPYZUCNSA-N 0 1 302.157 1.515 10 0 DDAEMN NC(=S)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1 ZINC000088248634 185243684 /nfs/dbraw/zinc/24/36/84/185243684.db2.gz KZBFBBGLOGQHQP-UHFFFAOYSA-N 0 1 311.363 1.656 10 0 DDAEMN CO[C@@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540616 185255916 /nfs/dbraw/zinc/25/59/16/185255916.db2.gz CWUHVSGMYDMEQU-NWDGAFQWSA-N 0 1 302.396 1.187 10 0 DDAEMN Cc1ccc2c(N)c(C(=O)N3CCCN(C)CC3)sc2n1 ZINC000088639830 185260669 /nfs/dbraw/zinc/26/06/69/185260669.db2.gz BPQHSPOAELQSBQ-UHFFFAOYSA-N 0 1 304.419 1.965 10 0 DDAEMN NNc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)ccn1 ZINC000088722819 185263434 /nfs/dbraw/zinc/26/34/34/185263434.db2.gz PXAVAQBULPRFOM-UHFFFAOYSA-N 0 1 318.280 1.585 10 0 DDAEMN Nc1cc(S(=O)(=O)NCc2cnc[nH]2)c(Cl)cc1F ZINC000088750435 185264217 /nfs/dbraw/zinc/26/42/17/185264217.db2.gz RUHJPWKDIIVSIB-UHFFFAOYSA-N 0 1 304.734 1.263 10 0 DDAEMN CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cnc[nH]2)c1 ZINC000088759611 185264335 /nfs/dbraw/zinc/26/43/35/185264335.db2.gz NCCFGRLWUVFXLQ-UHFFFAOYSA-N 0 1 308.363 1.155 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000088833806 185266494 /nfs/dbraw/zinc/26/64/94/185266494.db2.gz PNKWPKUAJCAQHC-UHFFFAOYSA-N 0 1 311.373 1.538 10 0 DDAEMN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248156675 539271610 /nfs/dbraw/zinc/27/16/10/539271610.db2.gz RKTDJGNODDHDBC-DOTOQJQBSA-N 0 1 320.437 1.006 10 0 DDAEMN CCN(c1cccc(F)c1)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088894028 185269981 /nfs/dbraw/zinc/26/99/81/185269981.db2.gz IEMWVRFGZDCEBG-UHFFFAOYSA-N 0 1 313.354 1.565 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092621900 185329884 /nfs/dbraw/zinc/32/98/84/185329884.db2.gz RNJGKOLBZQZHCJ-AWEZNQCLSA-N 0 1 311.451 1.546 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc2c(c1)NCC2 ZINC000092633983 185330204 /nfs/dbraw/zinc/33/02/04/185330204.db2.gz IIGCAUYJZRNLQP-ZDUSSCGKSA-N 0 1 309.435 1.369 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc2c(c1)NCC2 ZINC000092633982 185330449 /nfs/dbraw/zinc/33/04/49/185330449.db2.gz IIGCAUYJZRNLQP-CYBMUJFWSA-N 0 1 309.435 1.369 10 0 DDAEMN Cc1oc(C)c(S(=O)(=O)N(C)C[C@H]2CCCN2C)c1CO ZINC000092678244 185333543 /nfs/dbraw/zinc/33/35/43/185333543.db2.gz UMOUISHRXLDAPV-GFCCVEGCSA-N 0 1 316.423 1.103 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1CCC(=O)OCc1ccccc1 ZINC000181429710 199295510 /nfs/dbraw/zinc/29/55/10/199295510.db2.gz NEUYGCVFUOCCMC-OAHLLOKOSA-N 0 1 304.390 1.673 10 0 DDAEMN C[C@@H](CNS(=O)(=O)CCSc1ccc(N)cc1)N(C)C ZINC000070214527 190872167 /nfs/dbraw/zinc/87/21/67/190872167.db2.gz FXLREMJFVRLBNT-NSHDSACASA-N 0 1 317.480 1.230 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(C)c(C)c(N)c2)n[nH]1 ZINC000080511092 192164102 /nfs/dbraw/zinc/16/41/02/192164102.db2.gz SYPNUPKNYGKPLS-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN C[C@@H](N)c1nc(CC(=O)Nc2ccccc2C(N)=O)cs1 ZINC000071695562 191008277 /nfs/dbraw/zinc/00/82/77/191008277.db2.gz IHQDSQBDGRUKAV-MRVPVSSYSA-N 0 1 304.375 1.443 10 0 DDAEMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1cccnc1 ZINC000140466756 186026492 /nfs/dbraw/zinc/02/64/92/186026492.db2.gz JVKPJBJTHVZLGO-WBVHZDCISA-N 0 1 303.406 1.325 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174173159 198301939 /nfs/dbraw/zinc/30/19/39/198301939.db2.gz NSOPGBDPWASANL-QWRGUYRKSA-N 0 1 323.397 1.457 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(Cl)cn2C)CCN1C[C@@H](C)O ZINC000174592152 198357036 /nfs/dbraw/zinc/35/70/36/198357036.db2.gz GSHYQLOHMQFQMO-YPMHNXCESA-N 0 1 313.829 1.596 10 0 DDAEMN Cn1cnnc1[C@@H]1CN(C[C@H]2CCc3ccccc3C2)CCO1 ZINC000328630347 354553187 /nfs/dbraw/zinc/55/31/87/354553187.db2.gz JHEQQAYEZODESY-YOEHRIQHSA-N 0 1 312.417 1.994 10 0 DDAEMN CN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000005579109 181259782 /nfs/dbraw/zinc/25/97/82/181259782.db2.gz UQHDGKPKEQHROB-UHFFFAOYSA-N 0 1 321.362 1.371 10 0 DDAEMN C[C@H]1CCCC[N@H+]1CCCn1c(N)nnc1SCC(=O)[O-] ZINC000080845293 192195007 /nfs/dbraw/zinc/19/50/07/192195007.db2.gz ZMENSLAMWCOZIP-JTQLQIEISA-N 0 1 313.427 1.302 10 0 DDAEMN O=C1NCC[C@H]1NCc1cccc(I)c1 ZINC000594959299 356364874 /nfs/dbraw/zinc/36/48/74/356364874.db2.gz BFUYNQSBTLPKKC-SNVBAGLBSA-N 0 1 316.142 1.269 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)NCc2cccc(F)c2)C[C@@H]1C ZINC000180753856 199204370 /nfs/dbraw/zinc/20/43/70/199204370.db2.gz GZUKLQSGVGBLRT-QWHCGFSZSA-N 0 1 309.385 1.422 10 0 DDAEMN COC(=O)C1(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000187870435 200169685 /nfs/dbraw/zinc/16/96/85/200169685.db2.gz AOZMLTYUHVEBCB-CQSZACIVSA-N 0 1 304.390 1.229 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CCN(C(=O)c2csc([C@@H](C)[NH3+])n2)C1 ZINC000090954290 192965093 /nfs/dbraw/zinc/96/50/93/192965093.db2.gz AYZRSKSCGFPQKO-OTYXRUKQSA-N 0 1 311.407 1.880 10 0 DDAEMN CCCN[C@@](CSC[C@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258932 193027528 /nfs/dbraw/zinc/02/75/28/193027528.db2.gz AENUHZFJBMMTIC-CZUORRHYSA-N 0 1 310.463 1.728 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(N)c1 ZINC000092001355 193139433 /nfs/dbraw/zinc/13/94/33/193139433.db2.gz WBKPUJDDSPPTJO-OLZOCXBDSA-N 0 1 309.435 1.434 10 0 DDAEMN CCN1CCO[C@H](C[N@H+]2CCc3sccc3[C@@H]2C(=O)[O-])C1 ZINC000092059635 193148900 /nfs/dbraw/zinc/14/89/00/193148900.db2.gz VMUAQTWQVLGQPQ-SMDDNHRTSA-N 0 1 310.419 1.453 10 0 DDAEMN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C[C@H]1COCCN1 ZINC000262277995 203248101 /nfs/dbraw/zinc/24/81/01/203248101.db2.gz WPUPWUBUGUSVLA-JKSUJKDBSA-N 0 1 318.417 1.744 10 0 DDAEMN CN[C@H](C(=O)N(C)CCc1ccc(F)cc1)c1cnn(C)c1 ZINC000262498583 203309483 /nfs/dbraw/zinc/30/94/83/203309483.db2.gz ILFCTIFELGJKFF-HNNXBMFYSA-N 0 1 304.369 1.521 10 0 DDAEMN CCN1CCO[C@H](c2noc(-c3sc(CN)nc3C)n2)C1 ZINC000093897122 193325338 /nfs/dbraw/zinc/32/53/38/193325338.db2.gz SOEVOWSAVSKUMM-VIFPVBQESA-N 0 1 309.395 1.353 10 0 DDAEMN CC(C)[N@@H+](CCCC(=O)[O-])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638190 193386763 /nfs/dbraw/zinc/38/67/63/193386763.db2.gz PZFYWMHMZSFSBY-STQMWFEESA-N 0 1 305.440 1.917 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N(C)C)cc1N ZINC000094638321 193388039 /nfs/dbraw/zinc/38/80/39/193388039.db2.gz UYTCDXMSXNPLGN-VIFPVBQESA-N 0 1 305.831 1.459 10 0 DDAEMN CCOC(=O)Cc1csc(NC(=O)c2ccncc2O)n1 ZINC000094593786 193381920 /nfs/dbraw/zinc/38/19/20/193381920.db2.gz XYGJUSKOIAQIQK-UHFFFAOYSA-N 0 1 307.331 1.602 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](CN(C)C)C(C)C ZINC000094779510 193396742 /nfs/dbraw/zinc/39/67/42/193396742.db2.gz MBUMLEGBHARDDC-CYBMUJFWSA-N 0 1 317.430 1.581 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)Nc1cccc2ccccc21 ZINC000020563496 182232133 /nfs/dbraw/zinc/23/21/33/182232133.db2.gz WNBZCGOKWUGQSJ-CYBMUJFWSA-N 0 1 306.387 1.540 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000021509211 182276745 /nfs/dbraw/zinc/27/67/45/182276745.db2.gz GYQPQYUFIBDSIS-GFCCVEGCSA-N 0 1 312.391 1.147 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)NC[C@@H](C(C)C)N(C)C)c1 ZINC000040429978 183066027 /nfs/dbraw/zinc/06/60/27/183066027.db2.gz HOXBRLVPHYPZPF-HNNXBMFYSA-N 0 1 312.435 1.754 10 0 DDAEMN CCc1nc(CN2CCC[C@@H]2C(=O)N2CCNCC2)cs1 ZINC000040508431 183085986 /nfs/dbraw/zinc/08/59/86/183085986.db2.gz GMBOUGPZVINTQN-CYBMUJFWSA-N 0 1 308.451 1.102 10 0 DDAEMN CCOc1ccc([C@H](CNS(C)(=O)=O)N2CCCC2)cc1 ZINC000040614652 183109002 /nfs/dbraw/zinc/10/90/02/183109002.db2.gz OAFKAKMTHQSOEC-HNNXBMFYSA-N 0 1 312.435 1.771 10 0 DDAEMN C[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(C2CCCCC2)ns1 ZINC000333855283 249128448 /nfs/dbraw/zinc/12/84/48/249128448.db2.gz OJXFEXGGQGBTSS-GXSJLCMTSA-N 0 1 315.464 1.853 10 0 DDAEMN CCCCN([C@H](C)CC)S(=O)(=O)c1cnc(NN)nc1 ZINC000042611306 183291601 /nfs/dbraw/zinc/29/16/01/183291601.db2.gz OJRPGLSXTAZPFC-SNVBAGLBSA-N 0 1 301.416 1.352 10 0 DDAEMN O=C(CCNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCCCC1 ZINC000105123516 194075623 /nfs/dbraw/zinc/07/56/23/194075623.db2.gz VSCTZWHQKTXAKK-OAHLLOKOSA-N 0 1 322.453 1.269 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2ccc(F)cc2F)C[C@H]1C ZINC000105833822 194141241 /nfs/dbraw/zinc/14/12/41/194141241.db2.gz YPZYMPSODJJCRN-WBMJQRKESA-N 0 1 314.376 1.651 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccccc1)CC2 ZINC000105874048 194153581 /nfs/dbraw/zinc/15/35/81/194153581.db2.gz RPTPKNDQNARLQZ-HIFRSBDPSA-N 0 1 313.405 1.533 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000109465543 194265299 /nfs/dbraw/zinc/26/52/99/194265299.db2.gz PUOIGQKONGKTEP-UHFFFAOYSA-N 0 1 307.419 1.215 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3)C1 ZINC000110389570 194327681 /nfs/dbraw/zinc/32/76/81/194327681.db2.gz BMKAYZXACMYVCT-ZDUSSCGKSA-N 0 1 309.435 1.369 10 0 DDAEMN CC(C)N1CCN(C(=O)Cc2ccc(C(N)=S)cc2)CC1 ZINC000110614274 194342332 /nfs/dbraw/zinc/34/23/32/194342332.db2.gz ZOMRYLNPFSXZSK-UHFFFAOYSA-N 0 1 305.447 1.416 10 0 DDAEMN NC(=O)[C@]1(Nc2ccccc2Br)CCN(C2CC2)C1 ZINC000061991015 184199643 /nfs/dbraw/zinc/19/96/43/184199643.db2.gz WCVKLUCDCNXDIL-AWEZNQCLSA-N 0 1 324.222 1.953 10 0 DDAEMN COCCNCc1cc(Cl)cc(Cl)c1O[C@H](C)C(N)=O ZINC000062733005 184251457 /nfs/dbraw/zinc/25/14/57/184251457.db2.gz IDPLCXFHOKDWIJ-MRVPVSSYSA-N 0 1 321.204 1.982 10 0 DDAEMN COC(=O)c1ccccc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120566764 195190836 /nfs/dbraw/zinc/19/08/36/195190836.db2.gz ILLFRCZSZBQDSC-ZIAGYGMSSA-N 0 1 306.406 1.360 10 0 DDAEMN Cc1ccc(CN2C[C@@H]3OCC(=O)N(CC4CC4)[C@H]3C2)s1 ZINC000248083140 257109321 /nfs/dbraw/zinc/10/93/21/257109321.db2.gz JIOVEBMCMNENRA-GJZGRUSLSA-N 0 1 306.431 1.878 10 0 DDAEMN Cc1nccn1C[C@@H]1CCCN1CCCS(=O)(=O)C(C)C ZINC000121677368 195327879 /nfs/dbraw/zinc/32/78/79/195327879.db2.gz YFNBFDOVIJOFSJ-HNNXBMFYSA-N 0 1 313.467 1.869 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000123525424 407330960 /nfs/dbraw/zinc/33/09/60/407330960.db2.gz OEAZQPVRKJPGCF-KRWDZBQOSA-N 0 1 318.465 1.570 10 0 DDAEMN CN(C)C[C@H](NC(=O)C(=O)Nc1cccnc1)c1ccccc1 ZINC000125072123 407377735 /nfs/dbraw/zinc/37/77/35/407377735.db2.gz ANGOHPATBCZXKG-HNNXBMFYSA-N 0 1 312.373 1.439 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113232933 407481633 /nfs/dbraw/zinc/48/16/33/407481633.db2.gz GAUWVMUIBIRISN-UONOGXRCSA-N 0 1 316.467 1.142 10 0 DDAEMN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240025 407441209 /nfs/dbraw/zinc/44/12/09/407441209.db2.gz YSFAWQZYSUABCC-LLVKDONJSA-N 0 1 314.345 1.725 10 0 DDAEMN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240025 407441215 /nfs/dbraw/zinc/44/12/15/407441215.db2.gz YSFAWQZYSUABCC-LLVKDONJSA-N 0 1 314.345 1.725 10 0 DDAEMN O=C(NCCCc1ccccn1)N1CCN2CCCC[C@H]2C1 ZINC000178414359 407449428 /nfs/dbraw/zinc/44/94/28/407449428.db2.gz XAPWTNHLUSPNGS-INIZCTEOSA-N 0 1 302.422 1.894 10 0 DDAEMN NC(=O)c1ccc(F)c(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000171526831 407699082 /nfs/dbraw/zinc/69/90/82/407699082.db2.gz IWRAAVOLYNJBIP-GFCCVEGCSA-N 0 1 320.368 1.627 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N(C)C ZINC000179145932 407737277 /nfs/dbraw/zinc/73/72/77/407737277.db2.gz SQHRIZIZABWYGH-HNNXBMFYSA-N 0 1 301.394 1.995 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CC[C@H](c2cnn(C)c2)C1)C1CC1 ZINC000116320690 407742325 /nfs/dbraw/zinc/74/23/25/407742325.db2.gz FRNBKGUDTSKPNU-HIFRSBDPSA-N 0 1 316.449 1.999 10 0 DDAEMN OC[C@H]1C[C@@H](O)CN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000179184432 407746116 /nfs/dbraw/zinc/74/61/16/407746116.db2.gz VCZMQJXYHHNOIL-CHWSQXEVSA-N 0 1 308.765 1.923 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000236724908 407760603 /nfs/dbraw/zinc/76/06/03/407760603.db2.gz CPCFRSMNKZDYSS-GDBMZVCRSA-N 0 1 303.406 1.594 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000262255696 407775340 /nfs/dbraw/zinc/77/53/40/407775340.db2.gz IYXIMKPPGKVKKC-CQSZACIVSA-N 0 1 322.405 1.607 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000262328184 407800620 /nfs/dbraw/zinc/80/06/20/407800620.db2.gz RIEYLLCFUSGXKZ-IRXDYDNUSA-N 0 1 314.385 1.897 10 0 DDAEMN CC(C)n1nnnc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000117113885 407812288 /nfs/dbraw/zinc/81/22/88/407812288.db2.gz XHSUJIBRIGRWSI-UHFFFAOYSA-N 0 1 302.367 1.726 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc[nH]c2=S)CCN1CCOC ZINC000117305149 407827140 /nfs/dbraw/zinc/82/71/40/407827140.db2.gz CSFGEOCKGBWFLN-GFCCVEGCSA-N 0 1 309.435 1.927 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(F)c2)CCN1CCOC ZINC000117306802 407827448 /nfs/dbraw/zinc/82/74/48/407827448.db2.gz BRABJJPICZVBNZ-INIZCTEOSA-N 0 1 308.397 1.937 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000262576357 407870573 /nfs/dbraw/zinc/87/05/73/407870573.db2.gz TVCGEMIYCWDDPU-VXGBXAGGSA-N 0 1 312.341 1.296 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173563512 407887770 /nfs/dbraw/zinc/88/77/70/407887770.db2.gz AJKPRBNCPQGQLC-AWEZNQCLSA-N 0 1 307.369 1.042 10 0 DDAEMN CCS(=O)(=O)CCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000118396113 407912976 /nfs/dbraw/zinc/91/29/76/407912976.db2.gz DVCQMGASAHCLOV-AWEZNQCLSA-N 0 1 311.451 1.559 10 0 DDAEMN CC1CCN(C(=O)C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1 ZINC000262894869 407963396 /nfs/dbraw/zinc/96/33/96/407963396.db2.gz CWNGRXQQLNKDGH-GHMZBOCLSA-N 0 1 322.327 1.440 10 0 DDAEMN CC(C)N1CC[C@H]([N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1=O ZINC000262990128 407995458 /nfs/dbraw/zinc/99/54/58/407995458.db2.gz NOTYPTLXTZHSFZ-BBBLOLIVSA-N 0 1 308.300 1.191 10 0 DDAEMN CCN(C[C@H](O)COCc1ccccc1)C[C@H](O)C(F)(F)F ZINC000189452127 408022346 /nfs/dbraw/zinc/02/23/46/408022346.db2.gz ONOIULSFSDTQPF-KBPBESRZSA-N 0 1 321.339 1.809 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2c(Cl)nc3ccccn32)C[C@@H]1C ZINC000245740571 408055913 /nfs/dbraw/zinc/05/59/13/408055913.db2.gz LRFACUFXNHUZQL-STQMWFEESA-N 0 1 322.840 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C2CC2)C2CCC2)C1 ZINC000263391622 408127334 /nfs/dbraw/zinc/12/73/34/408127334.db2.gz QNHJSFSARRHKKC-ZBCRRDGASA-N 0 1 323.437 1.802 10 0 DDAEMN C[C@@]1(C(=O)[O-])CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000263435227 408138149 /nfs/dbraw/zinc/13/81/49/408138149.db2.gz VBFJGUMXCPLIBE-XHDPSFHLSA-N 0 1 306.366 1.369 10 0 DDAEMN C[C@H]([NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1)[C@H]1CCCOC1 ZINC000263520461 408162407 /nfs/dbraw/zinc/16/24/07/408162407.db2.gz QQWBAHFCZVCDLG-IQAUEXFUSA-N 0 1 310.438 1.719 10 0 DDAEMN COc1cccc(NC(=O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000246243852 408191869 /nfs/dbraw/zinc/19/18/69/408191869.db2.gz VFIGOBVVPOPFMB-HNNXBMFYSA-N 0 1 303.406 1.804 10 0 DDAEMN CN1CCO[C@@H](CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246441418 408255409 /nfs/dbraw/zinc/25/54/09/408255409.db2.gz ULLHCFBNGUADJZ-GJZGRUSLSA-N 0 1 323.824 1.366 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000246373556 408233774 /nfs/dbraw/zinc/23/37/74/408233774.db2.gz HOBBDJWKCVMDGE-NCOADZHNSA-N 0 1 323.481 1.428 10 0 DDAEMN CCc1cnccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000137308588 162125837 /nfs/dbraw/zinc/12/58/37/162125837.db2.gz LBFBNOJZARSLJL-CYBMUJFWSA-N 0 1 301.350 1.284 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n[nH]1 ZINC000173531717 162345918 /nfs/dbraw/zinc/34/59/18/162345918.db2.gz PCHJCOZDOXNEPQ-OAHLLOKOSA-N 0 1 323.356 1.875 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)COc3ccccc3)CCO2)n[nH]1 ZINC000173537782 162347327 /nfs/dbraw/zinc/34/73/27/162347327.db2.gz JXYGPUSRHZQVKI-CYBMUJFWSA-N 0 1 302.334 1.092 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)NCC3CCCCC3)CCO2)n[nH]1 ZINC000173657513 162352897 /nfs/dbraw/zinc/35/28/97/162352897.db2.gz MFWVLKYRXWYEOV-AWEZNQCLSA-N 0 1 321.425 1.183 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)Nc3cccc(C)c3)CCO2)n[nH]1 ZINC000173678528 162355135 /nfs/dbraw/zinc/35/51/35/162355135.db2.gz JXKUTWDXUXGIEK-AWEZNQCLSA-N 0 1 315.377 1.434 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cc(-c4ccco4)on3)CCO2)n[nH]1 ZINC000173683575 162358252 /nfs/dbraw/zinc/35/82/52/162358252.db2.gz SONBHSDOWIVUEC-CQSZACIVSA-N 0 1 315.333 1.935 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000247062012 408398733 /nfs/dbraw/zinc/39/87/33/408398733.db2.gz FZMKUOUXIYGUTE-CVEARBPZSA-N 0 1 314.433 1.759 10 0 DDAEMN CC[C@H]1CN(C(=O)CC[C@H]2CCCCO2)CCN1CCOC ZINC000247125401 408412216 /nfs/dbraw/zinc/41/22/16/408412216.db2.gz OEQVPPQZUWHGHD-JKSUJKDBSA-N 0 1 312.454 1.905 10 0 DDAEMN Cc1ccc(CN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)C2CC2)o1 ZINC000247210783 408430393 /nfs/dbraw/zinc/43/03/93/408430393.db2.gz CISWNHHDASMNFT-INIZCTEOSA-N 0 1 317.433 1.859 10 0 DDAEMN O=S(=O)(c1ccccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000247508726 408485192 /nfs/dbraw/zinc/48/51/92/408485192.db2.gz PBALDNXUTOWTCG-NSHDSACASA-N 0 1 300.811 1.809 10 0 DDAEMN CSc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000247646639 408499547 /nfs/dbraw/zinc/49/95/47/408499547.db2.gz VINAZTQBJMAOML-LBPRGKRZSA-N 0 1 312.460 1.877 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000247455073 408473487 /nfs/dbraw/zinc/47/34/87/408473487.db2.gz HUNFBSACGALJCD-HUUCEWRRSA-N 0 1 302.378 1.528 10 0 DDAEMN Cc1ccsc1CNC(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248335732 408548409 /nfs/dbraw/zinc/54/84/09/408548409.db2.gz GTFGITUALFTYHT-AWEZNQCLSA-N 0 1 307.463 1.843 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccn2)CCN1C[C@H](C)O ZINC000248373158 408553322 /nfs/dbraw/zinc/55/33/22/408553322.db2.gz GULKJEUVWZIHQY-DZGCQCFKSA-N 0 1 306.410 1.068 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(F)c2)CCN1C[C@H](C)O ZINC000248462997 408574823 /nfs/dbraw/zinc/57/48/23/408574823.db2.gz XAGFYOHIJGBHPC-BBRMVZONSA-N 0 1 323.412 1.812 10 0 DDAEMN CN(CCN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000248797490 408636129 /nfs/dbraw/zinc/63/61/29/408636129.db2.gz PJHLVRVSNCJHPQ-QGZVFWFLSA-N 0 1 319.449 1.994 10 0 DDAEMN CN(CCN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000248797490 408636134 /nfs/dbraw/zinc/63/61/34/408636134.db2.gz PJHLVRVSNCJHPQ-QGZVFWFLSA-N 0 1 319.449 1.994 10 0 DDAEMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000248860432 408648615 /nfs/dbraw/zinc/64/86/15/408648615.db2.gz DCRRLJKXJAZHTI-LXTVHRRPSA-N 0 1 313.442 1.352 10 0 DDAEMN CC(C)CCOCCNC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177769722 408708136 /nfs/dbraw/zinc/70/81/36/408708136.db2.gz XYDMSYPUORPYOC-MRXNPFEDSA-N 0 1 311.470 1.335 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(S(C)(=O)=O)cc1 ZINC000251532291 408781968 /nfs/dbraw/zinc/78/19/68/408781968.db2.gz AJVNHDGJHDUOEP-ZFWWWQNUSA-N 0 1 308.447 1.759 10 0 DDAEMN CCC[C@@H](C(=O)NCCc1nnc(-c2ccccc2)[nH]1)[NH+](C)C ZINC000163746668 408789069 /nfs/dbraw/zinc/78/90/69/408789069.db2.gz RIVGGDFIWSEPQM-AWEZNQCLSA-N 0 1 315.421 1.861 10 0 DDAEMN O=S(=O)(CCCN1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000252321693 408793275 /nfs/dbraw/zinc/79/32/75/408793275.db2.gz ULEMBDRSSLAXSX-HNNXBMFYSA-N 0 1 308.447 1.630 10 0 DDAEMN O=C(Cc1ccc2c(c1)OCCO2)N1CCN2CCCC[C@H]2C1 ZINC000195088160 408811280 /nfs/dbraw/zinc/81/12/80/408811280.db2.gz VRYCHOHWPXCBHB-HNNXBMFYSA-N 0 1 316.401 1.697 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2cccc(C[S@@](C)=O)c2)C1 ZINC000249612434 408750334 /nfs/dbraw/zinc/75/03/34/408750334.db2.gz QHSVDOTUXJJLIX-QVKFZJNVSA-N 0 1 308.447 1.779 10 0 DDAEMN CCc1nn(C)c(CC)c1CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000190439434 163142211 /nfs/dbraw/zinc/14/22/11/163142211.db2.gz QTTVRUHWWGYWJW-CQSZACIVSA-N 0 1 318.465 1.784 10 0 DDAEMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H]2CNC(=O)C2)[nH]1 ZINC000194877126 163299331 /nfs/dbraw/zinc/29/93/31/163299331.db2.gz JBCWZRAWPHQOEI-SNVBAGLBSA-N 0 1 313.361 1.670 10 0 DDAEMN Cc1sc(=O)n(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1C ZINC000195046495 163304156 /nfs/dbraw/zinc/30/41/56/163304156.db2.gz JDJULBQARLQFSR-ZDUSSCGKSA-N 0 1 309.435 1.223 10 0 DDAEMN Cc1sc(=O)n(CC(=O)N2CCN3CCCC[C@H]3C2)c1C ZINC000195046495 163304158 /nfs/dbraw/zinc/30/41/58/163304158.db2.gz JDJULBQARLQFSR-ZDUSSCGKSA-N 0 1 309.435 1.223 10 0 DDAEMN C[S@@](=O)Cc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195324771 163317123 /nfs/dbraw/zinc/31/71/23/163317123.db2.gz NELKYNRXHJYQDB-QVKFZJNVSA-N 0 1 306.431 1.485 10 0 DDAEMN CCNC(=O)NC(=O)[C@H](C)N1CCC(c2cnn(CC)c2)CC1 ZINC000195500252 163324624 /nfs/dbraw/zinc/32/46/24/163324624.db2.gz LUGIXQYDAOQISL-LBPRGKRZSA-N 0 1 321.425 1.317 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@@H]1C ZINC000246617432 163500694 /nfs/dbraw/zinc/50/06/94/163500694.db2.gz CVCCIHRSZIXAEX-KBPBESRZSA-N 0 1 308.397 1.672 10 0 DDAEMN O[C@]1(c2cn[nH]n2)CCN(CCOc2ccc(Cl)cc2)C1 ZINC000284972443 409384537 /nfs/dbraw/zinc/38/45/37/409384537.db2.gz YGAIWYIYIOLDPS-CQSZACIVSA-N 0 1 308.769 1.430 10 0 DDAEMN O=c1[nH]cnc(N[C@@H]2CCC[C@H]2O)c1I ZINC000306502534 409772735 /nfs/dbraw/zinc/77/27/35/409772735.db2.gz UGFTVPJFXRDWDI-PHDIDXHHSA-N 0 1 321.118 1.112 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1cccc(Cl)c1 ZINC000313371890 409807038 /nfs/dbraw/zinc/80/70/38/409807038.db2.gz PYHUCHNMUWACSX-GWCFXTLKSA-N 0 1 318.826 1.309 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)CCN1CCOC ZINC000492442834 287122398 /nfs/dbraw/zinc/12/23/98/287122398.db2.gz PFFJEMYAHWSSRN-FOSCPCJNSA-N 0 1 319.405 1.370 10 0 DDAEMN Cc1cccc(NC[C@H]2CCN(c3ncnc4n[nH]cc43)C2)n1 ZINC000301133376 410664742 /nfs/dbraw/zinc/66/47/42/410664742.db2.gz VIPXOSGYAPRVQM-GFCCVEGCSA-N 0 1 309.377 1.995 10 0 DDAEMN CC(C)(C)CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000193776947 418535675 /nfs/dbraw/zinc/53/56/75/418535675.db2.gz BIMVBQRPASVMFU-INIZCTEOSA-N 0 1 319.449 1.751 10 0 DDAEMN Cc1ncccc1CN1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000548022521 421390709 /nfs/dbraw/zinc/39/07/09/421390709.db2.gz WVPZHGPXSPZDSP-OAHLLOKOSA-N 0 1 308.389 1.541 10 0 DDAEMN Cc1nccc(N2CC[C@H](c3cc(=O)[nH]c(N)n3)C2)c1Cl ZINC000630375792 422059890 /nfs/dbraw/zinc/05/98/90/422059890.db2.gz YYQJCXQKWNCZRH-VIFPVBQESA-N 0 1 305.769 1.945 10 0 DDAEMN Cc1cc(N2CCC[C@](O)(c3c[nH]nn3)C2)nc(C2CC2)n1 ZINC000583616865 422201272 /nfs/dbraw/zinc/20/12/72/422201272.db2.gz ODYYCGMQEPYFFA-OAHLLOKOSA-N 0 1 300.366 1.269 10 0 DDAEMN C[C@H](CCNc1ccncc1C(N)=O)NC(=O)OC(C)(C)C ZINC000184103035 263385398 /nfs/dbraw/zinc/38/53/98/263385398.db2.gz MUXHSQZOIMHTAE-SNVBAGLBSA-N 0 1 308.382 1.896 10 0 DDAEMN C[C@@H]1C[N@@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)C[C@H](C)S1 ZINC000643872536 423388288 /nfs/dbraw/zinc/38/82/88/423388288.db2.gz CHWDQEKMGVXXLM-GRYCIOLGSA-N 0 1 300.424 1.278 10 0 DDAEMN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000162385497 277345313 /nfs/dbraw/zinc/34/53/13/277345313.db2.gz BSMWVPFIDHMFRN-ZDUSSCGKSA-N 0 1 314.345 1.639 10 0 DDAEMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247154776 278183958 /nfs/dbraw/zinc/18/39/58/278183958.db2.gz QEXYEKJXPRASAG-DOTOQJQBSA-N 0 1 323.481 1.573 10 0 DDAEMN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccs1 ZINC000173725937 288313510 /nfs/dbraw/zinc/31/35/10/288313510.db2.gz NSBDDCNUDIXYFO-NWDGAFQWSA-N 0 1 300.449 1.995 10 0 DDAEMN Cc1ccccc1CCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174294977 298256796 /nfs/dbraw/zinc/25/67/96/298256796.db2.gz FUUXLWXHWWWQOO-HZPDHXFCSA-N 0 1 304.434 1.841 10 0 DDAEMN O=S1(=O)C[C@@H](NCc2ccccc2)CN1Cc1ccccc1 ZINC000584636171 337374925 /nfs/dbraw/zinc/37/49/25/337374925.db2.gz KZGDZRZUZSBITF-KRWDZBQOSA-N 0 1 316.426 1.990 10 0 DDAEMN CCOc1cc(C)nc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000153560932 484051244 /nfs/dbraw/zinc/05/12/44/484051244.db2.gz PUDKFVWKEIKNKQ-HUUCEWRRSA-N 0 1 320.437 1.609 10 0 DDAEMN O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000328672597 534684794 /nfs/dbraw/zinc/68/47/94/534684794.db2.gz OJZMZEOQEDTBCV-NEPJUHHUSA-N 0 1 305.382 1.800 10 0 DDAEMN O=C(N[C@H]1COc2ccccc21)c1nnc2ccccc2c1O ZINC000111586551 696644539 /nfs/dbraw/zinc/64/45/39/696644539.db2.gz ZYNZLDKFVMXQPA-ZDUSSCGKSA-N 0 1 307.309 1.787 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1nnc2ccccc2c1O ZINC000176983487 697408071 /nfs/dbraw/zinc/40/80/71/697408071.db2.gz YQOSMWNTLYARJW-LBPRGKRZSA-N 0 1 314.389 1.479 10 0 DDAEMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000176983487 697408072 /nfs/dbraw/zinc/40/80/72/697408072.db2.gz YQOSMWNTLYARJW-LBPRGKRZSA-N 0 1 314.389 1.479 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000176983487 697408073 /nfs/dbraw/zinc/40/80/73/697408073.db2.gz YQOSMWNTLYARJW-LBPRGKRZSA-N 0 1 314.389 1.479 10 0 DDAEMN COCCN1CCN(CN2Cc3ccc(F)cc3C2=O)C[C@@H]1C ZINC000179859482 697442221 /nfs/dbraw/zinc/44/22/21/697442221.db2.gz PKQIUWIMGKSFEA-ZDUSSCGKSA-N 0 1 321.396 1.392 10 0 DDAEMN CC[C@@H](NCC(=O)N1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181555131 697462520 /nfs/dbraw/zinc/46/25/20/697462520.db2.gz GIBUWYQUXIIAEP-SWLSCSKDSA-N 0 1 321.377 1.883 10 0 DDAEMN C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000247397656 698365648 /nfs/dbraw/zinc/36/56/48/698365648.db2.gz YAQWJHNJDCAKME-MQIPJXDCSA-N 0 1 314.376 1.385 10 0 DDAEMN CCCC1(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)CCC1 ZINC000262905988 698483773 /nfs/dbraw/zinc/48/37/73/698483773.db2.gz QECMCJWSPYXSOQ-CYBMUJFWSA-N 0 1 312.410 1.201 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000263096159 698491582 /nfs/dbraw/zinc/49/15/82/698491582.db2.gz VZIFSFBRBFRBCO-BLYZHGLHSA-N 0 1 311.426 1.802 10 0 DDAEMN CCc1ncc(NC(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)cn1 ZINC000263134150 698492985 /nfs/dbraw/zinc/49/29/85/698492985.db2.gz YSAKBNBANKHZDT-UHFFFAOYSA-N 0 1 321.381 1.098 10 0 DDAEMN CCOc1cccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000263491763 698509940 /nfs/dbraw/zinc/50/99/40/698509940.db2.gz ISIJXFHEPGYYEV-MRXNPFEDSA-N 0 1 322.405 1.303 10 0 DDAEMN CCOCC(C)(C)NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263504949 698510203 /nfs/dbraw/zinc/51/02/03/698510203.db2.gz WTTRFSWLLFTIDJ-UHFFFAOYSA-N 0 1 315.414 1.038 10 0 DDAEMN O=C([O-])C1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000263513313 698510836 /nfs/dbraw/zinc/51/08/36/698510836.db2.gz NZBXNIZDLDGTDQ-GFCCVEGCSA-N 0 1 306.366 1.369 10 0 DDAEMN Cc1nc(CN[C@H]2CCC(=O)N[C@@H]2C)sc1Br ZINC000719257221 699299820 /nfs/dbraw/zinc/29/98/20/699299820.db2.gz NHZKELGIMPKAMG-SVRRBLITSA-N 0 1 318.240 1.971 10 0 DDAEMN CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000850475957 703733011 /nfs/dbraw/zinc/73/30/11/703733011.db2.gz GNDWGSQKMRNPQI-YWPYICTPSA-N 0 1 316.409 1.858 10 0 DDAEMN CCO[C@H](C(=O)N1CCC[C@@H]1c1nn[nH]n1)c1ccccc1 ZINC000900394623 709574519 /nfs/dbraw/zinc/57/45/19/709574519.db2.gz VZWIURYTDPQGKX-OLZOCXBDSA-N 0 1 301.350 1.641 10 0 DDAEMN CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2nn[nH]n2)nc1 ZINC000900397013 709575822 /nfs/dbraw/zinc/57/58/22/709575822.db2.gz QUAVVOIEQSWXBL-GFCCVEGCSA-N 0 1 302.338 1.359 10 0 DDAEMN O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000908154401 712699480 /nfs/dbraw/zinc/69/94/80/712699480.db2.gz CKYYHIPBHNZJAO-UPJWGTAASA-N 0 1 319.409 1.581 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Br)cc1 ZINC000074731526 185014044 /nfs/dbraw/zinc/01/40/44/185014044.db2.gz CCXITCKYUJAGNO-UHFFFAOYSA-N 0 1 324.134 1.007 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000249049260 282129125 /nfs/dbraw/zinc/12/91/25/282129125.db2.gz AAXQBOJFELCBNU-KBPBESRZSA-N 0 1 315.458 1.288 10 0 DDAEMN Fc1cc(F)cc(CN2CCN(CCn3ccnc3)CC2)c1 ZINC000077120251 185110315 /nfs/dbraw/zinc/11/03/15/185110315.db2.gz WBKQKOOJYMOOOM-UHFFFAOYSA-N 0 1 306.360 1.979 10 0 DDAEMN CCCc1nnsc1C(=O)Nc1nc2c(s1)CNCC2 ZINC000087455271 185225587 /nfs/dbraw/zinc/22/55/87/185225587.db2.gz FWRUYYPOUFLSSJ-UHFFFAOYSA-N 0 1 309.420 1.845 10 0 DDAEMN O=S1(=O)CC[C@H](NCCc2c[nH]cn2)c2cc(F)ccc21 ZINC000087544000 185227980 /nfs/dbraw/zinc/22/79/80/185227980.db2.gz FRLXPWLHUADTLO-ZDUSSCGKSA-N 0 1 309.366 1.600 10 0 DDAEMN C[N@@H+]([C@H]1CCCS(=O)(=O)C1)C1(CC(=O)[O-])CCCCC1 ZINC000087572604 185228572 /nfs/dbraw/zinc/22/85/72/185228572.db2.gz NTLJELUROUHBSK-LBPRGKRZSA-N 0 1 303.424 1.673 10 0 DDAEMN O=C([O-])[C@H]1C[N@@H+](C2CCS(=O)(=O)CC2)Cc2ccccc21 ZINC000087616000 185229220 /nfs/dbraw/zinc/22/92/20/185229220.db2.gz HNCKZRWQKIMIRW-AWEZNQCLSA-N 0 1 309.387 1.248 10 0 DDAEMN O=C([O-])[C@H]1C[N@H+](C2CCS(=O)(=O)CC2)Cc2ccccc21 ZINC000087616000 185229221 /nfs/dbraw/zinc/22/92/21/185229221.db2.gz HNCKZRWQKIMIRW-AWEZNQCLSA-N 0 1 309.387 1.248 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087639961 185229737 /nfs/dbraw/zinc/22/97/37/185229737.db2.gz KYSMJCVJZQLEMQ-SNVBAGLBSA-N 0 1 311.480 1.602 10 0 DDAEMN [NH3+]CC[N-]S(=O)(=O)c1cc(Cl)c(Br)s1 ZINC000087665485 185230156 /nfs/dbraw/zinc/23/01/56/185230156.db2.gz SJPVBUIEOSKNMO-UHFFFAOYSA-N 0 1 319.633 1.401 10 0 DDAEMN CCc1nn(C)cc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000180080272 539235291 /nfs/dbraw/zinc/23/52/91/539235291.db2.gz IYEDOJRCRHOVJO-UHFFFAOYSA-N 0 1 314.437 1.873 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000183670732 539243141 /nfs/dbraw/zinc/24/31/41/539243141.db2.gz GNEKBVILTHLBKE-CQSZACIVSA-N 0 1 311.813 1.947 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccn2)CCN1C[C@@H](C)O ZINC000184709103 539244603 /nfs/dbraw/zinc/24/46/03/539244603.db2.gz ZIKWDUQVJIJSPO-QLFBSQMISA-N 0 1 320.437 1.629 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000081977072 192348657 /nfs/dbraw/zinc/34/86/57/192348657.db2.gz HGOZYDLJIQPABN-GJZGRUSLSA-N 0 1 313.419 1.689 10 0 DDAEMN CC(C)(C)[C@@H](CCNC(=O)[C@H]1COCC[NH2+]1)CCC(=O)[O-] ZINC000088372601 185247180 /nfs/dbraw/zinc/24/71/80/185247180.db2.gz YDZAOZRXJMOQFK-VXGBXAGGSA-N 0 1 300.399 1.008 10 0 DDAEMN CCCCc1nc(Cl)c(CNCCCS(N)(=O)=O)[nH]1 ZINC000088399162 185248383 /nfs/dbraw/zinc/24/83/83/185248383.db2.gz KPKIUJNMBUZSEH-UHFFFAOYSA-N 0 1 308.835 1.174 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(CC)[C@@H](C)COC)o1 ZINC000088544088 185256854 /nfs/dbraw/zinc/25/68/54/185256854.db2.gz NJFKFHZWVYQEHU-NSHDSACASA-N 0 1 304.412 1.435 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCCO2)CCN1C[C@@H](C)O ZINC000248458747 539272024 /nfs/dbraw/zinc/27/20/24/539272024.db2.gz QPQYRYNYRCTBNB-TUVASFSCSA-N 0 1 313.442 1.041 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1ccc(F)cc1 ZINC000088886067 185268994 /nfs/dbraw/zinc/26/89/94/185268994.db2.gz SNGYJUBWKCSSJG-UHFFFAOYSA-N 0 1 313.354 1.170 10 0 DDAEMN C[N@H+](Cc1coc(-c2cccs2)n1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388802 185294019 /nfs/dbraw/zinc/29/40/19/185294019.db2.gz RDMXVSOEOKJPOC-QWRGUYRKSA-N 0 1 308.359 1.935 10 0 DDAEMN C[N@@H+](Cc1coc(-c2cccs2)n1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388802 185294020 /nfs/dbraw/zinc/29/40/20/185294020.db2.gz RDMXVSOEOKJPOC-QWRGUYRKSA-N 0 1 308.359 1.935 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 ZINC000092437224 185318087 /nfs/dbraw/zinc/31/80/87/185318087.db2.gz BYHDLHJKUHGCKM-YFKPBYRVSA-N 0 1 311.285 1.252 10 0 DDAEMN CC[N@@H+](C)CCn1c(SCC(=O)[O-])nc2c(C)nn(C)c21 ZINC000092539547 185324798 /nfs/dbraw/zinc/32/47/98/185324798.db2.gz RQWGPKXLMPADCP-UHFFFAOYSA-N 0 1 311.411 1.207 10 0 DDAEMN C[C@@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1ccc(Cl)cc1 ZINC000092781394 185340405 /nfs/dbraw/zinc/34/04/05/185340405.db2.gz OTZBFRJFWBSEAB-RNCFNFMXSA-N 0 1 304.781 1.955 10 0 DDAEMN O=C(CCN[C@H]1CCS(=O)(=O)c2ccccc21)NC1CC1 ZINC000092986793 185351013 /nfs/dbraw/zinc/35/10/13/185351013.db2.gz SVBHMXHYDWZQPP-ZDUSSCGKSA-N 0 1 308.403 1.163 10 0 DDAEMN O=C([O-])c1cccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(F)(F)F)c1 ZINC000616570549 539559790 /nfs/dbraw/zinc/55/97/90/539559790.db2.gz NBCLXRSOXNCFRJ-QWRGUYRKSA-N 0 1 316.279 1.509 10 0 DDAEMN CC(C)NC(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725271344 539570290 /nfs/dbraw/zinc/57/02/90/539570290.db2.gz DKVBIAQUZBLSSZ-PWSUYJOCSA-N 0 1 311.455 1.643 10 0 DDAEMN NCc1ncnn1Cc1ccc(I)cc1 ZINC000083999940 192395241 /nfs/dbraw/zinc/39/52/41/192395241.db2.gz RXLDBWHSJLRYTP-UHFFFAOYSA-N 0 1 314.130 1.390 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2C)CC1 ZINC000174093877 198289810 /nfs/dbraw/zinc/28/98/10/198289810.db2.gz WOCOSWVCWCIZGY-HNNXBMFYSA-N 0 1 305.422 1.322 10 0 DDAEMN COC(=O)[C@@H]1Cc2nc[nH]c2[C@@H](c2cccc(Cl)c2F)N1 ZINC000168356830 354250507 /nfs/dbraw/zinc/25/05/07/354250507.db2.gz HLOPSGPRMGMMRU-CMPLNLGQSA-N 0 1 309.728 1.979 10 0 DDAEMN CC(C)[N@@H+](C)CCCCn1c(N)nnc1SCC(=O)[O-] ZINC000080846322 192195767 /nfs/dbraw/zinc/19/57/67/192195767.db2.gz JLTPHFGQGURNQX-UHFFFAOYSA-N 0 1 301.416 1.157 10 0 DDAEMN CCc1nc(N(CC)CC)[nH]c(=O)c1I ZINC000085448875 192506315 /nfs/dbraw/zinc/50/63/15/192506315.db2.gz ZDTRAGZLASVHDL-UHFFFAOYSA-N 0 1 321.162 1.783 10 0 DDAEMN CCn1nc(C)c(Br)c1CNC[C@H](O)COC ZINC000089278024 192756546 /nfs/dbraw/zinc/75/65/46/192756546.db2.gz MWZFIIITNPAGCX-VIFPVBQESA-N 0 1 306.204 1.071 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(Cc2ccccn2)CC1 ZINC000193367900 201039290 /nfs/dbraw/zinc/03/92/90/201039290.db2.gz BHYUNRLLEAXPAR-KRWDZBQOSA-N 0 1 307.438 1.377 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)N(CC)CC)CC1 ZINC000091961877 193133204 /nfs/dbraw/zinc/13/32/04/193133204.db2.gz FVMAOLYXPXIUPY-GFCCVEGCSA-N 0 1 300.472 1.521 10 0 DDAEMN C[C@@H]1CCCN(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000091989388 193138513 /nfs/dbraw/zinc/13/85/13/193138513.db2.gz HAHKABKWNYSKDN-GFCCVEGCSA-N 0 1 312.483 1.521 10 0 DDAEMN CCN(CC(=O)Nc1cccc(C(N)=S)c1)CC(C)(C)O ZINC000092967250 193189981 /nfs/dbraw/zinc/18/99/81/193189981.db2.gz HMZMFJZNNVUSHW-UHFFFAOYSA-N 0 1 309.435 1.352 10 0 DDAEMN O=C([C@@H]1CNCCO1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262621653 203355151 /nfs/dbraw/zinc/35/51/51/203355151.db2.gz IZXUCZITMUTPDK-AGIUHOORSA-N 0 1 310.419 1.151 10 0 DDAEMN COCc1cc(NC(=O)N2CCN3CCCC[C@H]3C2)ncn1 ZINC000093314195 193229353 /nfs/dbraw/zinc/22/93/53/193229353.db2.gz ITASNOZCUWQZNT-ZDUSSCGKSA-N 0 1 305.382 1.325 10 0 DDAEMN CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776227 193305376 /nfs/dbraw/zinc/30/53/76/193305376.db2.gz AFVQCFVKAVJYAQ-YGRLFVJLSA-N 0 1 310.423 1.027 10 0 DDAEMN CC(C)CNCc1ncnn1[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644070 193389827 /nfs/dbraw/zinc/38/98/27/193389827.db2.gz XVBGCZIXMICRNH-STQMWFEESA-N 0 1 314.455 1.552 10 0 DDAEMN CC(C)(C)NCc1cn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)nn1 ZINC000094645175 193390082 /nfs/dbraw/zinc/39/00/82/193390082.db2.gz WIUIUHPNSZQJCN-OLZOCXBDSA-N 0 1 314.455 1.695 10 0 DDAEMN COc1ncnc2c1[nH]c(=S)n2C[C@H](C)N1CCCCC1 ZINC000094739017 193394499 /nfs/dbraw/zinc/39/44/99/193394499.db2.gz HAWDOCPUXPJKJD-JTQLQIEISA-N 0 1 307.423 1.998 10 0 DDAEMN Cc1cc(C)nc(NS(=O)(=O)c2cccc(C(N)=S)c2)n1 ZINC000020565637 182233624 /nfs/dbraw/zinc/23/36/24/182233624.db2.gz QCQIZZQOIRJRRC-UHFFFAOYSA-N 0 1 322.415 1.528 10 0 DDAEMN Cc1cc(OCCN2CCN(C)CC2)n(-c2ccccc2)n1 ZINC000022042673 182306308 /nfs/dbraw/zinc/30/63/08/182306308.db2.gz XAJSPFVSHSICAZ-UHFFFAOYSA-N 0 1 300.406 1.807 10 0 DDAEMN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000333532755 249014482 /nfs/dbraw/zinc/01/44/82/249014482.db2.gz YLGLQBWLGIRXEA-ZYHUDNBSSA-N 0 1 311.345 1.247 10 0 DDAEMN CCOc1ccc([C@@H](CNS(C)(=O)=O)N2CCCC2)cc1 ZINC000040614651 183108551 /nfs/dbraw/zinc/10/85/51/183108551.db2.gz OAFKAKMTHQSOEC-OAHLLOKOSA-N 0 1 312.435 1.771 10 0 DDAEMN Cc1csc2nc(C[N@H+]3CCC[C@H]3CC(=O)[O-])cc(=O)n12 ZINC000042162593 183237443 /nfs/dbraw/zinc/23/74/43/183237443.db2.gz HJSSJULJXKHDFE-NSHDSACASA-N 0 1 307.375 1.504 10 0 DDAEMN COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042707122 183299931 /nfs/dbraw/zinc/29/99/31/183299931.db2.gz XVWXOHZQIADDSC-SECBINFHSA-N 0 1 314.769 1.940 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105826767 194138009 /nfs/dbraw/zinc/13/80/09/194138009.db2.gz FIXNBCRRKPFPJD-IJEWVQPXSA-N 0 1 313.486 1.457 10 0 DDAEMN CCOCCN1CCN(CC(=O)N(C)CC2CC2)C[C@@H]1CC ZINC000105838413 194144788 /nfs/dbraw/zinc/14/47/88/194144788.db2.gz MMVDXMHQKSYWKE-INIZCTEOSA-N 0 1 311.470 1.288 10 0 DDAEMN COC(=O)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000105898127 194162264 /nfs/dbraw/zinc/16/22/64/194162264.db2.gz KDUNSFOAQITCIC-HNNXBMFYSA-N 0 1 300.362 1.902 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1C ZINC000105932821 194173473 /nfs/dbraw/zinc/17/34/73/194173473.db2.gz WRFYWCPHGOWEPJ-ZBFHGGJFSA-N 0 1 305.422 1.551 10 0 DDAEMN CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1ccccc1NN ZINC000049560601 183741969 /nfs/dbraw/zinc/74/19/69/183741969.db2.gz JYBUUGZUCYZQOP-LBPRGKRZSA-N 0 1 314.455 1.227 10 0 DDAEMN Nc1nc2cc(Br)ccc2n1[C@@H]1CCCNC1=O ZINC000050396832 183785113 /nfs/dbraw/zinc/78/51/13/183785113.db2.gz WNBDMIMFHUQFOK-SNVBAGLBSA-N 0 1 309.167 1.832 10 0 DDAEMN Cc1cc(N2CCN([C@@H](C)C(N)=S)CC2)nc(C(C)C)n1 ZINC000109471173 194266846 /nfs/dbraw/zinc/26/68/46/194266846.db2.gz YFVHGHXRTSYAFN-LBPRGKRZSA-N 0 1 307.467 1.705 10 0 DDAEMN CN1CCN(c2nc3c(cc2C(N)=S)CCC3)CC1(C)C ZINC000110756269 194356594 /nfs/dbraw/zinc/35/65/94/194356594.db2.gz GZGURVLIKWVICJ-UHFFFAOYSA-N 0 1 304.463 1.735 10 0 DDAEMN O=S(=O)([N-]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1F ZINC000110792308 194358931 /nfs/dbraw/zinc/35/89/31/194358931.db2.gz UASFVCAJVCRYKB-VIFPVBQESA-N 0 1 322.352 1.772 10 0 DDAEMN CCCNc1ccc(S(=O)(=O)N(C)CCN(C)C)cn1 ZINC000111150717 194396350 /nfs/dbraw/zinc/39/63/50/194396350.db2.gz NXNIKEDDQXNAMP-UHFFFAOYSA-N 0 1 300.428 1.086 10 0 DDAEMN CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H](C)C(=O)[O-] ZINC000061221178 184166056 /nfs/dbraw/zinc/16/60/56/184166056.db2.gz XUPJCOSXZDJAPH-NSHDSACASA-N 0 1 312.797 1.999 10 0 DDAEMN Cc1ccc(N)c(C)c1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000061642618 184180268 /nfs/dbraw/zinc/18/02/68/184180268.db2.gz YAKSMPUWOFTDDZ-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN C[C@@H](CCNC(=O)[C@@H](N)CCS(C)(=O)=O)c1ccccc1 ZINC000061911028 184194549 /nfs/dbraw/zinc/19/45/49/184194549.db2.gz PUTYSDUCDDCHJB-JSGCOSHPSA-N 0 1 312.435 1.058 10 0 DDAEMN O=C([O-])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000062133396 184207623 /nfs/dbraw/zinc/20/76/23/184207623.db2.gz RATLMMLKUDMOQV-MRVPVSSYSA-N 0 1 300.717 1.824 10 0 DDAEMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000062133396 184207625 /nfs/dbraw/zinc/20/76/25/184207625.db2.gz RATLMMLKUDMOQV-MRVPVSSYSA-N 0 1 300.717 1.824 10 0 DDAEMN C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccnc(NN)c1 ZINC000062190482 184217625 /nfs/dbraw/zinc/21/76/25/184217625.db2.gz NXTNJHVBQFZWTQ-NSHDSACASA-N 0 1 306.391 1.277 10 0 DDAEMN Nc1cn[nH]c1C(=O)NCc1cc(Br)ccc1F ZINC000062811900 184254235 /nfs/dbraw/zinc/25/42/35/184254235.db2.gz HFVGQBWBXPDSOC-UHFFFAOYSA-N 0 1 313.130 1.824 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2N)C1 ZINC000062965254 184262780 /nfs/dbraw/zinc/26/27/80/184262780.db2.gz HFAPKKSWTWVYCJ-JTQLQIEISA-N 0 1 303.815 1.247 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2N)C1 ZINC000062965416 184262872 /nfs/dbraw/zinc/26/28/72/184262872.db2.gz NURHBGGCOVAARH-JTQLQIEISA-N 0 1 303.815 1.247 10 0 DDAEMN CCCNc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000062984580 184264874 /nfs/dbraw/zinc/26/48/74/184264874.db2.gz XYOYZDAITBIDSY-AWEZNQCLSA-N 0 1 311.451 1.833 10 0 DDAEMN COCCc1nc([C@@H]2CCCN(C(=O)c3ccco3)C2)n[nH]1 ZINC000065287046 184321816 /nfs/dbraw/zinc/32/18/16/184321816.db2.gz JQIOIBLRTHGRAM-LLVKDONJSA-N 0 1 304.350 1.606 10 0 DDAEMN COCC[N@H+]1CCN(Cc2cnc3c(C)cccn23)C[C@H]1C ZINC000120826073 195245644 /nfs/dbraw/zinc/24/56/44/195245644.db2.gz IUWGGQRPKISXSR-OAHLLOKOSA-N 0 1 302.422 1.795 10 0 DDAEMN Cn1cc(CN2CCO[C@H]3CN(Cc4ccoc4)C[C@H]3C2)cn1 ZINC000248165771 257107276 /nfs/dbraw/zinc/10/72/76/257107276.db2.gz ZTAOZHLJYJURIM-SJORKVTESA-N 0 1 316.405 1.346 10 0 DDAEMN CN(C)CC(=O)N1C[C@@H]2CCC[C@]2(COCC2CCOCC2)C1 ZINC000247985342 257112952 /nfs/dbraw/zinc/11/29/52/257112952.db2.gz KMHIRKLRJIZTPC-FUHWJXTLSA-N 0 1 324.465 1.620 10 0 DDAEMN CCO[C@@H]1C[C@@H](N[C@@H](C(N)=O)c2ccccc2)C12CCOCC2 ZINC000249045361 286287000 /nfs/dbraw/zinc/28/70/00/286287000.db2.gz VUVBASPIMGVRLR-BZUAXINKSA-N 0 1 318.417 1.777 10 0 DDAEMN C[C@@H]1CN(C(=O)CN2CCC(Cn3cccn3)CC2)C[C@H](C)O1 ZINC000090473430 407168669 /nfs/dbraw/zinc/16/86/69/407168669.db2.gz GPITWGAZVDDCCK-GASCZTMLSA-N 0 1 320.437 1.231 10 0 DDAEMN CCc1ccccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000122680661 407307682 /nfs/dbraw/zinc/30/76/82/407307682.db2.gz QWMVGUPHZSWREP-CQSZACIVSA-N 0 1 300.362 1.889 10 0 DDAEMN CN(C(=O)CN1CCC[C@@H](Cn2cncn2)C1)C1CCCCC1 ZINC000105883551 407356515 /nfs/dbraw/zinc/35/65/15/407356515.db2.gz RIPIFSSHGFSTON-OAHLLOKOSA-N 0 1 319.453 1.781 10 0 DDAEMN O=C(CN1CCC(Cn2cccn2)CC1)NC(C1CC1)C1CC1 ZINC000105886811 407357940 /nfs/dbraw/zinc/35/79/40/407357940.db2.gz ZJGNBHQFMZIRIA-UHFFFAOYSA-N 0 1 316.449 1.900 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3cccc(C)n3)CCO2)n[nH]1 ZINC000124742317 407368101 /nfs/dbraw/zinc/36/81/01/407368101.db2.gz RURIBAQKDFDNQH-NSHDSACASA-N 0 1 302.338 1.422 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(F)nc3)CCO2)n[nH]1 ZINC000125780033 407398019 /nfs/dbraw/zinc/39/80/19/407398019.db2.gz UXZNMPGXQNGLKO-SNVBAGLBSA-N 0 1 306.301 1.253 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000170689402 407478300 /nfs/dbraw/zinc/47/83/00/407478300.db2.gz CPJLLFQFAAOAFH-LLVKDONJSA-N 0 1 302.378 1.844 10 0 DDAEMN COCCc1cc(NC(=O)N2CCN3CCCC[C@H]3C2)n(C)n1 ZINC000128304356 407521220 /nfs/dbraw/zinc/52/12/20/407521220.db2.gz GKWJNWUQUVGDDH-AWEZNQCLSA-N 0 1 321.425 1.311 10 0 DDAEMN CCN(CC(=O)N1CCC[C@H](c2nncn2CC)C1)C1CC1 ZINC000152332650 407614079 /nfs/dbraw/zinc/61/40/79/407614079.db2.gz PZBPKIYPUSPPJG-ZDUSSCGKSA-N 0 1 305.426 1.488 10 0 DDAEMN C[C@H](C(=O)N1CCCCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152390225 407629139 /nfs/dbraw/zinc/62/91/39/407629139.db2.gz AZRNIWXOZIYRCH-ZBFHGGJFSA-N 0 1 303.406 1.936 10 0 DDAEMN N[C@@H]1CN(c2ccc(Cl)cc2I)C1=O ZINC000232261102 407701946 /nfs/dbraw/zinc/70/19/46/407701946.db2.gz PCNPDLABZRHVLI-SSDOTTSWSA-N 0 1 322.533 1.619 10 0 DDAEMN Cn1ccnc1[C@H]1CN(Cc2cccc3c2NCC3)CCN1C ZINC000262000871 407708755 /nfs/dbraw/zinc/70/87/55/407708755.db2.gz UBLBKRPTKVFXIS-MRXNPFEDSA-N 0 1 311.433 1.877 10 0 DDAEMN O=C(N[C@H]1COc2ccccc2C1)N1CCN2CCCC[C@@H]2C1 ZINC000171637604 407730775 /nfs/dbraw/zinc/73/07/75/407730775.db2.gz ZMZHAFMNDKKUFF-HZPDHXFCSA-N 0 1 315.417 1.870 10 0 DDAEMN CCc1nc([C@@H]2CN(c3cc(C)nc(C4CC4)n3)CCO2)n[nH]1 ZINC000131649338 407743077 /nfs/dbraw/zinc/74/30/77/407743077.db2.gz BLPMGBPMAPTIJI-LBPRGKRZSA-N 0 1 314.393 1.921 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238020 407773727 /nfs/dbraw/zinc/77/37/27/407773727.db2.gz HNBPWPNCRMONRX-CHWSQXEVSA-N 0 1 316.760 1.353 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(F)cc3C)CCO2)n[nH]1 ZINC000153223956 407780258 /nfs/dbraw/zinc/78/02/58/407780258.db2.gz PYPWMGXALMTHLJ-CYBMUJFWSA-N 0 1 304.325 1.774 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000262308800 407794840 /nfs/dbraw/zinc/79/48/40/407794840.db2.gz OTPOXSRMQIITDA-CQSZACIVSA-N 0 1 308.378 1.169 10 0 DDAEMN CCOCCN1CCN(C(=O)NC2CCOCC2)C[C@@H]1CC ZINC000117036356 407805319 /nfs/dbraw/zinc/80/53/19/407805319.db2.gz HMCUGXZNSQRUMP-HNNXBMFYSA-N 0 1 313.442 1.308 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000262342429 407806736 /nfs/dbraw/zinc/80/67/36/407806736.db2.gz SXMCTWGFIHCZDG-XJKSGUPXSA-N 0 1 316.405 1.640 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(CCOC)[C@H](CC)C2)n[nH]1 ZINC000117300740 407827205 /nfs/dbraw/zinc/82/72/05/407827205.db2.gz CNRBFLZKGQTXDI-CQSZACIVSA-N 0 1 308.426 1.545 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2O)CCN1CCOC ZINC000117426015 407834473 /nfs/dbraw/zinc/83/44/73/407834473.db2.gz QXKBVSRMQFUIEX-OAHLLOKOSA-N 0 1 306.406 1.504 10 0 DDAEMN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173943877 407905827 /nfs/dbraw/zinc/90/58/27/407905827.db2.gz FLPRYDXQBMDBHD-HOTGVXAUSA-N 0 1 309.454 1.040 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000180828201 407921763 /nfs/dbraw/zinc/92/17/63/407921763.db2.gz CYSFDBJAXDGDID-ZIAGYGMSSA-N 0 1 301.394 1.081 10 0 DDAEMN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000188284292 407929721 /nfs/dbraw/zinc/92/97/21/407929721.db2.gz WDOMVBUBRZZZDX-VIFPVBQESA-N 0 1 304.350 1.760 10 0 DDAEMN O=C(CN1CC[N@H+]2CCCC[C@H]2C1)[N-]OCc1ccccc1 ZINC000245549347 408012998 /nfs/dbraw/zinc/01/29/98/408012998.db2.gz ZLCGLYOEEZTQNG-INIZCTEOSA-N 0 1 303.406 1.405 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)CC2CCCC2)C1 ZINC000263377160 408125361 /nfs/dbraw/zinc/12/53/61/408125361.db2.gz CCGHZKDAAMCVSG-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN C[C@@H](O)CN1CCN(CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000122001116 408248948 /nfs/dbraw/zinc/24/89/48/408248948.db2.gz MNKCQBLIQHGFIG-UONOGXRCSA-N 0 1 308.397 1.785 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(F)c2)CCN1C[C@H](C)O ZINC000246814182 408348574 /nfs/dbraw/zinc/34/85/74/408348574.db2.gz KUGIXRCIILHUTF-BBRMVZONSA-N 0 1 308.397 1.672 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCc3cccc(C)c3)CCO2)n[nH]1 ZINC000173531582 162344756 /nfs/dbraw/zinc/34/47/56/162344756.db2.gz BIEDMTWWTHIRIP-HNNXBMFYSA-N 0 1 314.389 1.954 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247053447 408396344 /nfs/dbraw/zinc/39/63/44/408396344.db2.gz FIXNBCRRKPFPJD-DZKIICNBSA-N 0 1 313.486 1.457 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000247087647 408406444 /nfs/dbraw/zinc/40/64/44/408406444.db2.gz HJHGNJFYRUXLKK-HUUCEWRRSA-N 0 1 322.453 1.715 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@]1(O)CCSC1 ZINC000176727686 408423887 /nfs/dbraw/zinc/42/38/87/408423887.db2.gz BXAZNHXMOHOWQJ-HOCLYGCPSA-N 0 1 308.447 1.144 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2nc(C)cs2)CCN1C[C@H](C)O ZINC000247692224 408504007 /nfs/dbraw/zinc/50/40/07/408504007.db2.gz WCBNDGLFKIPEPW-NWDGAFQWSA-N 0 1 312.439 1.760 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000183930925 408512493 /nfs/dbraw/zinc/51/24/93/408512493.db2.gz PHYQCVGQTLBMJB-AWEZNQCLSA-N 0 1 312.373 1.836 10 0 DDAEMN COc1ccc(NC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000247381557 408461280 /nfs/dbraw/zinc/46/12/80/408461280.db2.gz VYFHQXOWURLUQI-KBPBESRZSA-N 0 1 321.421 1.021 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2ccccn2)CCN1C[C@H](C)O ZINC000248376078 408553246 /nfs/dbraw/zinc/55/32/46/408553246.db2.gz ZCBGCXKGIFMTIX-GOEBONIOSA-N 0 1 320.437 1.111 10 0 DDAEMN OC[C@@H]1C[C@@H](O)CN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000248401217 408557758 /nfs/dbraw/zinc/55/77/58/408557758.db2.gz ZAYOQOLTWMLDDW-BFHYXJOUSA-N 0 1 310.781 1.261 10 0 DDAEMN CCCN(CCC)C(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177248585 408563260 /nfs/dbraw/zinc/56/32/60/408563260.db2.gz UAHADLVYCQVFEZ-JKSUJKDBSA-N 0 1 311.470 1.288 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ncn(-c3ccccc3)n2)CC1 ZINC000179355719 162724533 /nfs/dbraw/zinc/72/45/33/162724533.db2.gz BZWZURODJSXHRZ-MRXNPFEDSA-N 0 1 315.421 1.156 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249536651 408738925 /nfs/dbraw/zinc/73/89/25/408738925.db2.gz CPMZKYYQUJVXCM-QEJZJMRPSA-N 0 1 310.463 1.917 10 0 DDAEMN CNC(=O)C1CN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000184786665 408688095 /nfs/dbraw/zinc/68/80/95/408688095.db2.gz HETTUAGOJWMKAY-LBPRGKRZSA-N 0 1 302.296 1.417 10 0 DDAEMN O=C([C@H]1COc2ccccc2C1)N1CCN2CCCC[C@H]2C1 ZINC000250205579 408777626 /nfs/dbraw/zinc/77/76/26/408777626.db2.gz QLWNXLYOJKOFPI-CVEARBPZSA-N 0 1 300.402 1.934 10 0 DDAEMN O=C(C[C@H]1C(=O)Nc2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000250280294 408777723 /nfs/dbraw/zinc/77/77/23/408777723.db2.gz CQJSCYKZHRWFPS-DZGCQCFKSA-N 0 1 313.401 1.809 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3ccc(F)nc3)C2=O)n(C)n1 ZINC000189134603 163084884 /nfs/dbraw/zinc/08/48/84/163084884.db2.gz XCQALSQCTUFZOF-CYBMUJFWSA-N 0 1 317.368 1.548 10 0 DDAEMN C[C@H](CNC(=O)c1[nH]nc2c1CCCCC2)N1CCOCC1 ZINC000189994063 163126801 /nfs/dbraw/zinc/12/68/01/163126801.db2.gz NZPHSMVXUNWTGR-GFCCVEGCSA-N 0 1 306.410 1.129 10 0 DDAEMN Cc1nc(C)c(CCC(=O)N2CCN3CCCC[C@H]3C2)c(=O)[nH]1 ZINC000195078984 163306119 /nfs/dbraw/zinc/30/61/19/163306119.db2.gz RJZKGTJFMQANSE-AWEZNQCLSA-N 0 1 318.421 1.016 10 0 DDAEMN O=C(CCN1CCCC[C@H]1c1nccs1)N1CCOCC1 ZINC000195359964 163318673 /nfs/dbraw/zinc/31/86/73/163318673.db2.gz CUUSOBIVGQSDAW-ZDUSSCGKSA-N 0 1 309.435 1.919 10 0 DDAEMN CN(CC1CC1)C(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515999 163326030 /nfs/dbraw/zinc/32/60/30/163326030.db2.gz ATVXVDDAEDKMTO-OAHLLOKOSA-N 0 1 302.422 1.684 10 0 DDAEMN CC1(C)CN(C[C@H](O)COCc2ccccc2)C[C@@H](CO)O1 ZINC000309793079 164005210 /nfs/dbraw/zinc/00/52/10/164005210.db2.gz GEFIMRYOJZGDCL-HOTGVXAUSA-N 0 1 309.406 1.036 10 0 DDAEMN COc1nccc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC000297075129 409791817 /nfs/dbraw/zinc/79/18/17/409791817.db2.gz ZUMZIZFVWLEGJN-LLVKDONJSA-N 0 1 310.398 1.830 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1CCC(=O)NC(=O)Nc1ccccc1 ZINC000133179142 196318913 /nfs/dbraw/zinc/31/89/13/196318913.db2.gz FMAPZDBPBFBITR-BETUJISGSA-N 0 1 305.378 1.834 10 0 DDAEMN O[C@]1(c2cn[nH]n2)CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000583617366 422201348 /nfs/dbraw/zinc/20/13/48/422201348.db2.gz BFXXJNXIPOCACY-MRXNPFEDSA-N 0 1 316.361 1.060 10 0 DDAEMN Cc1cc(N2CCC[C@@](O)(c3c[nH]nn3)C2)nc(C2CC2)n1 ZINC000583616864 422203354 /nfs/dbraw/zinc/20/33/54/422203354.db2.gz ODYYCGMQEPYFFA-HNNXBMFYSA-N 0 1 300.366 1.269 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616620085 422517235 /nfs/dbraw/zinc/51/72/35/422517235.db2.gz NQURCKMSLJQUAN-GFCCVEGCSA-N 0 1 309.414 1.811 10 0 DDAEMN CC(=O)N1CC[C@H](C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)C1 ZINC000328748655 277006089 /nfs/dbraw/zinc/00/60/89/277006089.db2.gz QOTJQVQBZCQEJW-QWHCGFSZSA-N 0 1 305.382 1.035 10 0 DDAEMN CN(C)C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCO1 ZINC000116793788 289197246 /nfs/dbraw/zinc/19/72/46/289197246.db2.gz AKWDPABRYYXKOL-IZGVIRRGSA-N 0 1 308.422 1.171 10 0 DDAEMN O=C(Nc1nnc(/C=C\c2ccco2)s1)[C@H]1C[C@H](F)CN1 ZINC000588545726 483926911 /nfs/dbraw/zinc/92/69/11/483926911.db2.gz RHPVGBXGFUOJLQ-GVGBKSHOSA-N 0 1 308.338 1.940 10 0 DDAEMN CO[C@@H]1CN(Cc2ccnn2-c2ccccc2)C[C@H]1c1c[nH]nn1 ZINC000668576852 485222976 /nfs/dbraw/zinc/22/29/76/485222976.db2.gz DPMXONILYDMSPR-DOTOQJQBSA-N 0 1 324.388 1.605 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@@H](C)OC)CC1 ZINC000182144204 697470905 /nfs/dbraw/zinc/47/09/05/697470905.db2.gz YPEZURMINFBHCS-GFCCVEGCSA-N 0 1 314.861 1.788 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1CC ZINC000193285721 697657873 /nfs/dbraw/zinc/65/78/73/697657873.db2.gz MFFPCLJLMVCNBH-HOTGVXAUSA-N 0 1 312.454 1.762 10 0 DDAEMN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000262020665 698451162 /nfs/dbraw/zinc/45/11/62/698451162.db2.gz NCSHYUCZNGSBPO-GZMMTYOYSA-N 0 1 306.790 1.885 10 0 DDAEMN CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262917407 698484459 /nfs/dbraw/zinc/48/44/59/698484459.db2.gz GMCIPFCGDFXNFA-LMLFDSFASA-N 0 1 324.343 1.875 10 0 DDAEMN CC(C)c1noc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263539742 698512376 /nfs/dbraw/zinc/51/23/76/698512376.db2.gz BUIXFWNSWQJNKE-UHFFFAOYSA-N 0 1 308.382 1.933 10 0 DDAEMN O=C(c1cncc(Br)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720642903 699307268 /nfs/dbraw/zinc/30/72/68/699307268.db2.gz OQMHUVFYFVTKDL-VIFPVBQESA-N 0 1 323.154 1.335 10 0 DDAEMN CC(C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O)=C1CCCC1 ZINC000857747539 704620837 /nfs/dbraw/zinc/62/08/37/704620837.db2.gz APBWZPPOZAKHIN-RDBSUJKOSA-N 0 1 304.394 1.666 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccon3)C2)ccn1 ZINC000886026734 708683938 /nfs/dbraw/zinc/68/39/38/708683938.db2.gz RRCFFKIFJZWTCF-MRXNPFEDSA-N 0 1 302.378 1.785 10 0 DDAEMN CCN1C(=O)N=NC1[C@@H]1C[C@@H](O)[C@@H](CNc2cccc(C)n2)C1 ZINC000888097867 709213170 /nfs/dbraw/zinc/21/31/70/709213170.db2.gz RCJYWZIVYJUXFB-YNEHKIRRSA-N 0 1 317.393 1.674 10 0 DDAEMN C[C@@H]1[C@@H](O)CCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC000908697060 712837064 /nfs/dbraw/zinc/83/70/64/712837064.db2.gz KQLBDEVMSIRZQB-LMPOIIKSSA-N 0 1 310.438 1.249 10 0 DDAEMN CC[C@@H]1CN([C@H](C)c2nc(COC)no2)CCN1C[C@H](C)O ZINC000248461346 282085535 /nfs/dbraw/zinc/08/55/35/282085535.db2.gz OYVKFYZSGMAPHY-YNEHKIRRSA-N 0 1 312.414 1.054 10 0 DDAEMN C[C@H](CS(C)(=O)=O)Nc1c(C(N)=S)cnc2ccccc21 ZINC000081904320 192337099 /nfs/dbraw/zinc/33/70/99/192337099.db2.gz JOBBGGLEDAYABN-SECBINFHSA-N 0 1 323.443 1.714 10 0 DDAEMN Cc1cccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1F ZINC000181287224 199276887 /nfs/dbraw/zinc/27/68/87/199276887.db2.gz VYAXENPZADADPT-STQMWFEESA-N 0 1 312.410 1.991 10 0 DDAEMN CCCOc1ccc([C@@H](CS(=O)(=O)CCOC)NC)cc1 ZINC000081943170 192344668 /nfs/dbraw/zinc/34/46/68/192344668.db2.gz GLFFSNYIPJPIMB-OAHLLOKOSA-N 0 1 315.435 1.797 10 0 DDAEMN CCC[C@H]1CCCN(S(=O)(=O)c2ccnc(NN)c2)CC1 ZINC000079357880 185166889 /nfs/dbraw/zinc/16/68/89/185166889.db2.gz ZFJLYESEFXLHQB-LBPRGKRZSA-N 0 1 312.439 1.958 10 0 DDAEMN COc1ccc(CN2CCC(C(N)=O)CC2)cc1C(N)=S ZINC000087832378 185232391 /nfs/dbraw/zinc/23/23/91/185232391.db2.gz UJYHPRJQJJUOPN-UHFFFAOYSA-N 0 1 307.419 1.027 10 0 DDAEMN CN1CCN(CCNc2cc(Br)ccc2N)CC1 ZINC000087835035 185232865 /nfs/dbraw/zinc/23/28/65/185232865.db2.gz FWQXXGOVKMBSFB-UHFFFAOYSA-N 0 1 313.243 1.691 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CCNCC2(C)C)c(OC)c1 ZINC000088139562 185240643 /nfs/dbraw/zinc/24/06/43/185240643.db2.gz RYYXHLXBYFYGDC-UHFFFAOYSA-N 0 1 314.407 1.076 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000088543481 185256949 /nfs/dbraw/zinc/25/69/49/185256949.db2.gz DHBCKRKJPNDCBX-RYUDHWBXSA-N 0 1 316.423 1.576 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)o1 ZINC000088543047 185256055 /nfs/dbraw/zinc/25/60/55/185256055.db2.gz VNWLONUGSKFODZ-KBPBESRZSA-N 0 1 306.387 1.833 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1ncccc1Br ZINC000088673302 185262002 /nfs/dbraw/zinc/26/20/02/185262002.db2.gz JGFLHRAYLWAJEC-SNVBAGLBSA-N 0 1 314.183 1.185 10 0 DDAEMN Cc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1CO ZINC000088876087 185267928 /nfs/dbraw/zinc/26/79/28/185267928.db2.gz ZVHLMZIJQJPQOJ-UHFFFAOYSA-N 0 1 312.435 1.202 10 0 DDAEMN CC(C)(C)[C@@H](N)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990773 192350795 /nfs/dbraw/zinc/35/07/95/192350795.db2.gz GVQXZKSZARNINQ-LBPRGKRZSA-N 0 1 319.448 1.237 10 0 DDAEMN C[C@@](O)(CO)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000090288504 185289607 /nfs/dbraw/zinc/28/96/07/185289607.db2.gz PCFBSOIHJPXMJW-LBPRGKRZSA-N 0 1 307.177 1.265 10 0 DDAEMN Cc1cccc(Cl)c1NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000090537646 185301570 /nfs/dbraw/zinc/30/15/70/185301570.db2.gz VIBCXQBBHODJEG-SNVBAGLBSA-N 0 1 304.799 1.349 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000092625693 185329687 /nfs/dbraw/zinc/32/96/87/185329687.db2.gz IEHZSYYDHRYOHM-NSHDSACASA-N 0 1 312.391 1.100 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000181413873 199292473 /nfs/dbraw/zinc/29/24/73/199292473.db2.gz XTNJRNBGKQUXQN-UONOGXRCSA-N 0 1 320.437 1.671 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccncc2)CCN1C[C@@H](C)O ZINC000181525760 199310841 /nfs/dbraw/zinc/31/08/41/199310841.db2.gz QFLFKNYLMFJUEI-UKRRQHHQSA-N 0 1 306.410 1.068 10 0 DDAEMN COC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000616626781 362762802 /nfs/dbraw/zinc/76/28/02/362762802.db2.gz DWSPHYGOBHIJRO-GFCCVEGCSA-N 0 1 300.399 1.786 10 0 DDAEMN C[C@H]1CN(Cc2cnc(N)s2)CC[C@H]1NC(=O)CC1CC1 ZINC000725273010 539570883 /nfs/dbraw/zinc/57/08/83/539570883.db2.gz XDKRMRHNCLIZBR-GXFFZTMASA-N 0 1 308.451 1.852 10 0 DDAEMN O[C@@H](Cc1ccc(I)cc1)c1nnc[nH]1 ZINC000083850648 192387097 /nfs/dbraw/zinc/38/70/97/192387097.db2.gz JDZMANDJWGPPOQ-VIFPVBQESA-N 0 1 315.114 1.685 10 0 DDAEMN CCCC(CCC)(C(N)=S)C(=O)NCCCc1nc[nH]n1 ZINC000080626985 192175845 /nfs/dbraw/zinc/17/58/45/192175845.db2.gz KFBYGORKCLOHOH-UHFFFAOYSA-N 0 1 311.455 1.726 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)n[nH]1 ZINC000173566670 198228348 /nfs/dbraw/zinc/22/83/48/198228348.db2.gz FBUDJIFYZWAPJL-ZDUSSCGKSA-N 0 1 318.352 1.649 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000174004854 198279184 /nfs/dbraw/zinc/27/91/84/198279184.db2.gz KAJMBIVWFULEDJ-DOMZBBRYSA-N 0 1 314.426 1.974 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC000174093671 198290290 /nfs/dbraw/zinc/29/02/90/198290290.db2.gz FKUCUWURGWQELJ-SJORKVTESA-N 0 1 322.449 1.123 10 0 DDAEMN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc[nH]1 ZINC000174162717 198300497 /nfs/dbraw/zinc/30/04/97/198300497.db2.gz GVINYYFAQFGIBA-JTQLQIEISA-N 0 1 311.386 1.457 10 0 DDAEMN O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)[N-]OCc1ccccc1 ZINC000180481497 199165607 /nfs/dbraw/zinc/16/56/07/199165607.db2.gz CVVBGFALDQDVIG-HNNXBMFYSA-N 0 1 315.377 1.163 10 0 DDAEMN Cc1cc(N)ccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000005934843 181297686 /nfs/dbraw/zinc/29/76/86/181297686.db2.gz SUURJZLLNKVRKP-UHFFFAOYSA-N 0 1 304.379 1.262 10 0 DDAEMN COC(=O)COc1c(C)cc(C(=O)N2CCN[C@H](C)C2)cc1C ZINC000189014296 200335935 /nfs/dbraw/zinc/33/59/35/200335935.db2.gz RIULZNBSDUNJAZ-CYBMUJFWSA-N 0 1 320.389 1.289 10 0 DDAEMN C[C@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)N1CCCCC1=O ZINC000193813708 201128074 /nfs/dbraw/zinc/12/80/74/201128074.db2.gz IVPXFDWZJZRKMK-SNVBAGLBSA-N 0 1 305.382 1.802 10 0 DDAEMN C[C@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)N1CCCCC1=O ZINC000193813708 201128076 /nfs/dbraw/zinc/12/80/76/201128076.db2.gz IVPXFDWZJZRKMK-SNVBAGLBSA-N 0 1 305.382 1.802 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000195189233 201356611 /nfs/dbraw/zinc/35/66/11/201356611.db2.gz ZUFUWQZKERPERA-SFHVURJKSA-N 0 1 322.449 1.687 10 0 DDAEMN Cn1ccnc(N2CCC[C@@H](NCc3ccsc3)C2)c1=O ZINC000275481594 212361285 /nfs/dbraw/zinc/36/12/85/212361285.db2.gz IJJADPVPBGMWSK-CYBMUJFWSA-N 0 1 304.419 1.600 10 0 DDAEMN CSC1(C(N)=S)CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091478935 193062332 /nfs/dbraw/zinc/06/23/32/193062332.db2.gz VEFFTKWOJDZFCY-SNVBAGLBSA-N 0 1 317.524 1.773 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1N ZINC000092001379 193139210 /nfs/dbraw/zinc/13/92/10/193139210.db2.gz UUTLIKZXRSXGIY-OLZOCXBDSA-N 0 1 309.435 1.434 10 0 DDAEMN CCN(CC(C)(C)O)S(=O)(=O)c1cccc(F)c1CN ZINC000092971607 193190643 /nfs/dbraw/zinc/19/06/43/193190643.db2.gz NXUVQDDNLQQLEZ-UHFFFAOYSA-N 0 1 304.387 1.066 10 0 DDAEMN CCN(CC(=O)Nc1ccccc1C(N)=S)CC(C)(C)O ZINC000092967233 193189964 /nfs/dbraw/zinc/18/99/64/193189964.db2.gz QBEJNLNVNUKBIZ-UHFFFAOYSA-N 0 1 309.435 1.352 10 0 DDAEMN Cc1nsc(NC(=O)c2csc([C@@H](C)[NH3+])n2)c1C(=O)[O-] ZINC000093015174 193194825 /nfs/dbraw/zinc/19/48/25/193194825.db2.gz OTEQTTRBYYFCSI-SCSAIBSYSA-N 0 1 312.376 1.878 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000094358693 193364685 /nfs/dbraw/zinc/36/46/85/193364685.db2.gz UVVWEFUHEWWMTH-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(N)c(F)cc2C)C1 ZINC000094779440 193396607 /nfs/dbraw/zinc/39/66/07/193396607.db2.gz HQFQITITASWMFC-NSHDSACASA-N 0 1 315.414 1.479 10 0 DDAEMN COc1ccccc1Cc1cc(=O)[nH]c(N[C@@H](C)CN(C)C)n1 ZINC000019455949 182123523 /nfs/dbraw/zinc/12/35/23/182123523.db2.gz FSBXYNVXJGAROW-LBPRGKRZSA-N 0 1 316.405 1.731 10 0 DDAEMN CSc1ccc([N-]S(=O)(=O)c2ccc(NN)[nH+]c2)cc1 ZINC000021060923 182264019 /nfs/dbraw/zinc/26/40/19/182264019.db2.gz AGIHGUMWNFODHL-UHFFFAOYSA-N 0 1 310.404 1.890 10 0 DDAEMN CCN1c2ccc(NS(=O)(=O)c3cccnc3)cc2CC1=O ZINC000038706594 183007235 /nfs/dbraw/zinc/00/72/35/183007235.db2.gz YHOJEMXEWBDEBM-UHFFFAOYSA-N 0 1 317.370 1.791 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(C)C)N(C)C)cc1 ZINC000040429974 183066022 /nfs/dbraw/zinc/06/60/22/183066022.db2.gz RJERIMXZOQFZEG-HNNXBMFYSA-N 0 1 312.435 1.754 10 0 DDAEMN CC1CCN(CCNc2ccc(S(C)(=O)=O)cc2N)CC1 ZINC000040771501 183131716 /nfs/dbraw/zinc/13/17/16/183131716.db2.gz DUZCHSZIHHXFFZ-UHFFFAOYSA-N 0 1 311.451 1.816 10 0 DDAEMN Nc1csc(S(=O)(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000041068401 183162513 /nfs/dbraw/zinc/16/25/13/183162513.db2.gz LBFHQTXLOPOQCT-GFCCVEGCSA-N 0 1 315.464 1.579 10 0 DDAEMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(C(N)=S)ccc1F ZINC000042428950 183269447 /nfs/dbraw/zinc/26/94/47/183269447.db2.gz WAPXREXLHPPSGU-GXSJLCMTSA-N 0 1 309.410 1.546 10 0 DDAEMN CNC(=O)[C@H](C)NCc1cc(Br)c(O)c(OC)c1 ZINC000042341805 183256698 /nfs/dbraw/zinc/25/66/98/183256698.db2.gz IBLYNVRWTTYFAD-ZETCQYMHSA-N 0 1 317.183 1.387 10 0 DDAEMN CCn1cc(Br)cc1C(=O)N[C@H]1CCN(C)C1 ZINC000042549371 183283809 /nfs/dbraw/zinc/28/38/09/183283809.db2.gz NJCRNRGVSFEBMO-JTQLQIEISA-N 0 1 300.200 1.704 10 0 DDAEMN COc1ccccc1[C@H](Sc1nc(N)cc(=O)[n-]1)[C@@H](C)[NH3+] ZINC000043102001 183338373 /nfs/dbraw/zinc/33/83/73/183338373.db2.gz XLSFYJPBGHVZCR-AMIZOPFISA-N 0 1 306.391 1.541 10 0 DDAEMN COc1cc(Cl)c(NC(=O)[C@H]2CNCCO2)cc1OC ZINC000043708812 183382901 /nfs/dbraw/zinc/38/29/01/183382901.db2.gz IEIVHRZMKKHLEE-GFCCVEGCSA-N 0 1 300.742 1.284 10 0 DDAEMN Cc1cncc(CN2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000284521708 218062987 /nfs/dbraw/zinc/06/29/87/218062987.db2.gz CSQWOOUCJMYHAE-MRXNPFEDSA-N 0 1 301.394 1.656 10 0 DDAEMN CCc1cc(C(=O)N2CCC(Nc3cccnn3)CC2)n[nH]1 ZINC000105814745 194134921 /nfs/dbraw/zinc/13/49/21/194134921.db2.gz VNKHHMVGLZBRQF-UHFFFAOYSA-N 0 1 300.366 1.479 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C(C)C)n2C)C[C@@H]1C ZINC000105835598 194142195 /nfs/dbraw/zinc/14/21/95/194142195.db2.gz BEMLWNVDPPBTMM-AWEZNQCLSA-N 0 1 309.458 1.481 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C)n2C2CC2)C[C@@H]1CC ZINC000105838602 194143906 /nfs/dbraw/zinc/14/39/06/194143906.db2.gz UIMRDQFKLAKCDC-HNNXBMFYSA-N 0 1 321.469 1.854 10 0 DDAEMN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)c1 ZINC000105858469 194148798 /nfs/dbraw/zinc/14/87/98/194148798.db2.gz NUZRTMRZWLUCEY-CYBMUJFWSA-N 0 1 310.361 1.940 10 0 DDAEMN CN(C(=O)CN1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000105883040 194156387 /nfs/dbraw/zinc/15/63/87/194156387.db2.gz NYOBPSWZQZINKB-HNNXBMFYSA-N 0 1 313.405 1.653 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)cc1F ZINC000105932598 194173549 /nfs/dbraw/zinc/17/35/49/194173549.db2.gz YVSYGVJPQPJKQM-JSGCOSHPSA-N 0 1 309.385 1.381 10 0 DDAEMN COCCN1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000106106880 194185385 /nfs/dbraw/zinc/18/53/85/194185385.db2.gz HVYXFLCKFVENTM-AWEZNQCLSA-N 0 1 306.406 1.610 10 0 DDAEMN CCOCCN1CCN(Cc2ccoc2C(=O)OC)C[C@@H]1CC ZINC000106118014 194188264 /nfs/dbraw/zinc/18/82/64/194188264.db2.gz RIJHMVMIVFQHJU-HNNXBMFYSA-N 0 1 324.421 1.999 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000059917585 184142498 /nfs/dbraw/zinc/14/24/98/184142498.db2.gz OBKNHNVZHOFIQL-MRVPVSSYSA-N 0 1 303.284 1.639 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N2CCC[C@H]2CN(C)C)c1C ZINC000061642514 184180473 /nfs/dbraw/zinc/18/04/73/184180473.db2.gz VCPKFDXGBKRJQV-AWEZNQCLSA-N 0 1 311.451 1.600 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCC3(CCCC3)CC2)ccn1 ZINC000062960041 184262238 /nfs/dbraw/zinc/26/22/38/184262238.db2.gz AGICLEIDXRDXSA-UHFFFAOYSA-N 0 1 310.423 1.712 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000062970722 184263472 /nfs/dbraw/zinc/26/34/72/184263472.db2.gz GSKPCPNLPRVIJU-MRVPVSSYSA-N 0 1 309.844 1.430 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 ZINC000119686865 195017023 /nfs/dbraw/zinc/01/70/23/195017023.db2.gz TYCKMRSCZQKPSZ-OCCSQVGLSA-N 0 1 324.446 1.687 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000119907465 195059797 /nfs/dbraw/zinc/05/97/97/195059797.db2.gz CBSTXXYYXURAMX-KRWDZBQOSA-N 0 1 321.465 1.206 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccoc2)C[C@@H]2OCC[C@@H]21)N1CCCCO1 ZINC000247759232 257117865 /nfs/dbraw/zinc/11/78/65/257117865.db2.gz GLMSYCXTYCFGTO-OAGGEKHMSA-N 0 1 320.389 1.671 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000123525713 407330759 /nfs/dbraw/zinc/33/07/59/407330759.db2.gz OEAZQPVRKJPGCF-QGZVFWFLSA-N 0 1 318.465 1.570 10 0 DDAEMN Cc1nnc([C@@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)[nH]1 ZINC000123957253 407343336 /nfs/dbraw/zinc/34/33/36/407343336.db2.gz RVNMKRAPXZLGGS-LBPRGKRZSA-N 0 1 306.297 1.172 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)n[nH]1 ZINC000123957253 407343338 /nfs/dbraw/zinc/34/33/38/407343338.db2.gz RVNMKRAPXZLGGS-LBPRGKRZSA-N 0 1 306.297 1.172 10 0 DDAEMN CC[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000105826688 407355825 /nfs/dbraw/zinc/35/58/25/407355825.db2.gz SEKKYOBBIJMVIX-XYPHTWIQSA-N 0 1 310.413 1.636 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)NCCc1ccccc1)N(C)C ZINC000125882435 407400034 /nfs/dbraw/zinc/40/00/34/407400034.db2.gz NCTFOUCDUNXDAI-HNNXBMFYSA-N 0 1 305.422 1.192 10 0 DDAEMN COc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000112362184 407427329 /nfs/dbraw/zinc/42/73/29/407427329.db2.gz VQEHPUVQWXLQFE-JTQLQIEISA-N 0 1 318.826 1.673 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CCN1CCOC ZINC000127133365 407428323 /nfs/dbraw/zinc/42/83/23/407428323.db2.gz PEJQRMZKAIWYSP-KBPBESRZSA-N 0 1 315.483 1.634 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(F)cc3c2OCOC3)C[C@@H]1C ZINC000171562941 407704073 /nfs/dbraw/zinc/70/40/73/407704073.db2.gz WDWQNBWROMEFRW-QWHCGFSZSA-N 0 1 324.396 1.579 10 0 DDAEMN CCC[C@H]1C[C@@H]1Nc1nc[nH]c(=O)c1I ZINC000233446793 407704948 /nfs/dbraw/zinc/70/49/48/407704948.db2.gz MGZJOIRYRFIABG-BQBZGAKWSA-N 0 1 319.146 1.975 10 0 DDAEMN COC(=O)c1ccccc1CCN1CCC[C@@H](NC(C)=O)C1 ZINC000186682139 407741500 /nfs/dbraw/zinc/74/15/00/407741500.db2.gz BTJVJZMNQDRZJM-OAHLLOKOSA-N 0 1 304.390 1.616 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000262184773 407760303 /nfs/dbraw/zinc/76/03/03/407760303.db2.gz BVGPUMYPJXEHTH-CYBMUJFWSA-N 0 1 306.341 1.540 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000262245604 407774704 /nfs/dbraw/zinc/77/47/04/407774704.db2.gz RZUHREUNDACCCF-GFCCVEGCSA-N 0 1 318.377 1.046 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000262337947 407802186 /nfs/dbraw/zinc/80/21/86/407802186.db2.gz SJYQHLDVLNDLNS-JOYOIKCWSA-N 0 1 315.211 1.470 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cn(Cc2ccccc2)nn1)N(C)C ZINC000187004619 407812459 /nfs/dbraw/zinc/81/24/59/407812459.db2.gz SJHJLERUFWXPSV-AWEZNQCLSA-N 0 1 301.394 1.995 10 0 DDAEMN COC[C@H](N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C1CC1 ZINC000179814347 407834009 /nfs/dbraw/zinc/83/40/09/407834009.db2.gz HJHAJVBLINIILR-RYUDHWBXSA-N 0 1 320.397 1.957 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2O)CCN1CCOC ZINC000117426019 407836136 /nfs/dbraw/zinc/83/61/36/407836136.db2.gz QXKBVSRMQFUIEX-HNNXBMFYSA-N 0 1 306.406 1.504 10 0 DDAEMN CCOCCCNC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000117469187 407837960 /nfs/dbraw/zinc/83/79/60/407837960.db2.gz JWIFRIOAYMUJOE-CQSZACIVSA-N 0 1 301.431 1.165 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000262515777 407853972 /nfs/dbraw/zinc/85/39/72/407853972.db2.gz KEAYEEMXZHXRHR-SECBINFHSA-N 0 1 306.284 1.848 10 0 DDAEMN CCCCc1nc(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)no1 ZINC000262534700 407859325 /nfs/dbraw/zinc/85/93/25/407859325.db2.gz PXTSQTQHFBZHLZ-CYBMUJFWSA-N 0 1 324.425 1.783 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000262582425 407874748 /nfs/dbraw/zinc/87/47/48/407874748.db2.gz USDHDEPGMSINCH-MRVPVSSYSA-N 0 1 310.247 1.679 10 0 DDAEMN Cn1nccc1C1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000134383065 407899267 /nfs/dbraw/zinc/89/92/67/407899267.db2.gz HBKNSSNDDBPTEO-CYBMUJFWSA-N 0 1 313.405 1.969 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000174608728 407970578 /nfs/dbraw/zinc/97/05/78/407970578.db2.gz KLOPAWSQEFDTBF-RBSFLKMASA-N 0 1 300.443 1.495 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2cccs2)CCN1C[C@@H](C)O ZINC000174620559 407971437 /nfs/dbraw/zinc/97/14/37/407971437.db2.gz LGMCBKXYKMOREU-KGLIPLIRSA-N 0 1 310.463 1.984 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000262968242 407987772 /nfs/dbraw/zinc/98/77/72/407987772.db2.gz RHGIUQGOGAOUJB-HNNXBMFYSA-N 0 1 322.380 1.766 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@H](Cn2cncn2)C1 ZINC000182174517 408085681 /nfs/dbraw/zinc/08/56/81/408085681.db2.gz QQARRVRHUZBORR-LSDHHAIUSA-N 0 1 308.426 1.968 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3cccc(O)c3)CCO2)n[nH]1 ZINC000175431877 408131368 /nfs/dbraw/zinc/13/13/68/408131368.db2.gz VWGHCTBBTSCJML-CYBMUJFWSA-N 0 1 317.349 1.102 10 0 DDAEMN Cc1ccc(F)c(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000263526754 408164555 /nfs/dbraw/zinc/16/45/55/408164555.db2.gz UJVHSXWBVJMHAY-CQSZACIVSA-N 0 1 310.369 1.351 10 0 DDAEMN Cc1csc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263528258 408164858 /nfs/dbraw/zinc/16/48/58/408164858.db2.gz VCTVSSTWKPUHPD-UHFFFAOYSA-N 0 1 309.435 1.869 10 0 DDAEMN Cc1cnc(CNC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000175591840 408169286 /nfs/dbraw/zinc/16/92/86/408169286.db2.gz OGEKFNPEBLGQNU-JTQLQIEISA-N 0 1 322.394 1.161 10 0 DDAEMN CN(C)C(=O)[C@H](c1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000246218970 408182312 /nfs/dbraw/zinc/18/23/12/408182312.db2.gz QBWNRUQGYKZQJS-IRXDYDNUSA-N 0 1 301.434 1.986 10 0 DDAEMN CC(=O)[C@H](C)CCCCC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000155619764 408186708 /nfs/dbraw/zinc/18/67/08/408186708.db2.gz DLUWBYAKAPSZGT-RISCZKNCSA-N 0 1 322.409 1.799 10 0 DDAEMN C[C@H]1CN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000246379326 408238610 /nfs/dbraw/zinc/23/86/10/408238610.db2.gz IBCKCRVWMABQTJ-YVSFHVDLSA-N 0 1 323.481 1.143 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC000246373566 408235437 /nfs/dbraw/zinc/23/54/37/408235437.db2.gz HOBBDJWKCVMDGE-QBPKDAKJSA-N 0 1 323.481 1.428 10 0 DDAEMN CCC[C@H](C(=O)OCC)N1CCN(CCOCC)[C@@H](C)C1 ZINC000246672905 408314634 /nfs/dbraw/zinc/31/46/34/408314634.db2.gz GBTJTJCEIWUZDT-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173357111 162333631 /nfs/dbraw/zinc/33/36/31/162333631.db2.gz GQOOTMNJCLCSBQ-GVXVVHGQSA-N 0 1 309.414 1.180 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C)ccc3F)CCO2)n[nH]1 ZINC000173532098 162345634 /nfs/dbraw/zinc/34/56/34/162345634.db2.gz WABPLYVYOCQWSP-CYBMUJFWSA-N 0 1 304.325 1.774 10 0 DDAEMN CSc1cc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)ccn1 ZINC000173540084 162347006 /nfs/dbraw/zinc/34/70/06/162347006.db2.gz CCODIUNLQUABMJ-NSHDSACASA-N 0 1 319.390 1.444 10 0 DDAEMN Cc1nc(C[C@@H]2CCC[N@@H+](CCCN3CCOCC3)C2)no1 ZINC000173645310 162353939 /nfs/dbraw/zinc/35/39/39/162353939.db2.gz XDIVRFVBOPVXRA-HNNXBMFYSA-N 0 1 308.426 1.355 10 0 DDAEMN COC(=O)c1oc(CN2CC[C@H](N3CCOCC3)C2)cc1C ZINC000173953164 162380668 /nfs/dbraw/zinc/38/06/68/162380668.db2.gz YXKKMKQYMMNKDO-ZDUSSCGKSA-N 0 1 308.378 1.281 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)N(C)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000176817027 408452261 /nfs/dbraw/zinc/45/22/61/408452261.db2.gz ZMRVBVHJEODXOQ-ZDUSSCGKSA-N 0 1 319.340 1.882 10 0 DDAEMN COCc1c(Br)cccc1NC(=O)[C@@H](N)COC ZINC000159811696 408434701 /nfs/dbraw/zinc/43/47/01/408434701.db2.gz GDSPWGZIDUEPNW-JTQLQIEISA-N 0 1 317.183 1.508 10 0 DDAEMN COc1ccccc1CNC(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248366514 408549815 /nfs/dbraw/zinc/54/98/15/408549815.db2.gz SEZQHRJLNFWIDM-INIZCTEOSA-N 0 1 317.433 1.482 10 0 DDAEMN CC[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)CCN1C[C@H](C)O ZINC000248546190 408585166 /nfs/dbraw/zinc/58/51/66/408585166.db2.gz DRKQLJXZHWYOBU-UHOSZYNNSA-N 0 1 320.477 1.757 10 0 DDAEMN O=c1[nH]ccnc1N1CCC[C@@H](NCc2cnn3ccccc23)C1 ZINC000275715188 408656332 /nfs/dbraw/zinc/65/63/32/408656332.db2.gz YOWMNTBBRRYWLQ-CQSZACIVSA-N 0 1 324.388 1.589 10 0 DDAEMN CC(=O)N1CCC(NC(=O)CN[C@H](C)c2cccs2)CC1 ZINC000181342588 162786940 /nfs/dbraw/zinc/78/69/40/162786940.db2.gz SRECDBJDDJEGQJ-LLVKDONJSA-N 0 1 309.435 1.526 10 0 DDAEMN CCOCCN1CCN(Cc2nccc(OC)c2OC)C[C@H]1C ZINC000249084663 408684936 /nfs/dbraw/zinc/68/49/36/408684936.db2.gz MYOHZROFUYICBH-CQSZACIVSA-N 0 1 323.437 1.641 10 0 DDAEMN CCOC(=O)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195096655 408810753 /nfs/dbraw/zinc/81/07/53/408810753.db2.gz HGVRJEMWHPSYOU-HUUCEWRRSA-N 0 1 323.437 1.552 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)OCC(F)(F)F)CCO2)n[nH]1 ZINC000178013166 408757751 /nfs/dbraw/zinc/75/77/51/408757751.db2.gz AWJXBLKMRGFCKL-SSDOTTSWSA-N 0 1 308.260 1.439 10 0 DDAEMN C[C@@H]1OCCC[C@@H]1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000190352129 163137017 /nfs/dbraw/zinc/13/70/17/163137017.db2.gz AITLAETUEMGBRM-GJZGRUSLSA-N 0 1 311.470 1.334 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)[C@@H]3CCCCN3CC)CCO2)cn1 ZINC000191717868 163199295 /nfs/dbraw/zinc/19/92/95/163199295.db2.gz NSXKSNDXOSYFPT-JKSUJKDBSA-N 0 1 320.437 1.677 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000192063152 163214441 /nfs/dbraw/zinc/21/44/41/163214441.db2.gz SLDVUNJQQHDXAW-RRFJBIMHSA-N 0 1 312.454 1.759 10 0 DDAEMN CN(CC(=O)N1CCN2CCCC[C@@H]2C1)C(=O)c1cccs1 ZINC000195060618 163305729 /nfs/dbraw/zinc/30/57/29/163305729.db2.gz FUUWDGDOZGEAEU-CYBMUJFWSA-N 0 1 321.446 1.517 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3cccc(O)c3)CCO2)n[nH]1 ZINC000492524566 420583911 /nfs/dbraw/zinc/58/39/11/420583911.db2.gz XZYFAJUWAAEMBZ-GEXIGZQTSA-N 0 1 314.345 1.432 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CC(=O)[O-] ZINC000635521450 422070596 /nfs/dbraw/zinc/07/05/96/422070596.db2.gz RMOSTAFISJKJTK-UKRRQHHQSA-N 0 1 319.405 1.481 10 0 DDAEMN CC(C)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649015 422240616 /nfs/dbraw/zinc/24/06/16/422240616.db2.gz HKDCXGVKHXUOAZ-HUUCEWRRSA-N 0 1 304.390 1.971 10 0 DDAEMN CC(C)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649015 422240624 /nfs/dbraw/zinc/24/06/24/422240624.db2.gz HKDCXGVKHXUOAZ-HUUCEWRRSA-N 0 1 304.390 1.971 10 0 DDAEMN COCCN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630675242 422262404 /nfs/dbraw/zinc/26/24/04/422262404.db2.gz SWNBAWGRCQJMHC-HUUCEWRRSA-N 0 1 320.389 1.209 10 0 DDAEMN COCCN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630675242 422262410 /nfs/dbraw/zinc/26/24/10/422262410.db2.gz SWNBAWGRCQJMHC-HUUCEWRRSA-N 0 1 320.389 1.209 10 0 DDAEMN CN1CCO[C@@H](CNCc2ccncc2Br)C1 ZINC000631065916 422501182 /nfs/dbraw/zinc/50/11/82/422501182.db2.gz WRPVIZDXXUICLF-NSHDSACASA-N 0 1 300.200 1.264 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000174089669 273754513 /nfs/dbraw/zinc/75/45/13/273754513.db2.gz FLCDFPGQOXLUCG-XJKSGUPXSA-N 0 1 314.376 1.387 10 0 DDAEMN CN(C)c1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2 ZINC000067676311 276896102 /nfs/dbraw/zinc/89/61/02/276896102.db2.gz OWXQHIVLIMWCAN-UHFFFAOYSA-N 0 1 309.417 1.751 10 0 DDAEMN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CCN1 ZINC000189002103 287960437 /nfs/dbraw/zinc/96/04/37/287960437.db2.gz GBHNNWGTQLZQTO-DJSGYFEHSA-N 0 1 319.380 1.165 10 0 DDAEMN CCN(CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000152785013 279047952 /nfs/dbraw/zinc/04/79/52/279047952.db2.gz RPGLMRLDXJNZQX-OAHLLOKOSA-N 0 1 317.437 1.388 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000177004729 279297294 /nfs/dbraw/zinc/29/72/94/279297294.db2.gz FAMFRVDQQBBQKQ-CYBMUJFWSA-N 0 1 316.467 1.144 10 0 DDAEMN COCC[N@H+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000105833841 696625159 /nfs/dbraw/zinc/62/51/59/696625159.db2.gz DQDWDBQWGRQKPC-LRDDRELGSA-N 0 1 314.376 1.651 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000105833841 696625161 /nfs/dbraw/zinc/62/51/61/696625161.db2.gz DQDWDBQWGRQKPC-LRDDRELGSA-N 0 1 314.376 1.651 10 0 DDAEMN CCOC1CC(CC(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)C1 ZINC000188661172 697562286 /nfs/dbraw/zinc/56/22/86/697562286.db2.gz ZSWCFJIZISYTSX-CIDNJEQPSA-N 0 1 312.454 1.495 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)C1CCOCC1 ZINC000245912032 698340471 /nfs/dbraw/zinc/34/04/71/698340471.db2.gz VSTXJPPGUAGXSM-LSJOCFKGSA-N 0 1 323.311 1.802 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)c3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000246874595 698356565 /nfs/dbraw/zinc/35/65/65/698356565.db2.gz GHFYFLTYURUTER-JKSUJKDBSA-N 0 1 316.405 1.837 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000263010354 698487815 /nfs/dbraw/zinc/48/78/15/698487815.db2.gz YOJMSOAKSMRLFQ-AWEZNQCLSA-N 0 1 320.389 1.463 10 0 DDAEMN C[C@H](Cc1ccccc1)CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263523678 698511421 /nfs/dbraw/zinc/51/14/21/698511421.db2.gz SGXCZWGZLSHPMK-NVXWUHKLSA-N 0 1 320.433 1.582 10 0 DDAEMN O=C([O-])CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309761659 698667343 /nfs/dbraw/zinc/66/73/43/698667343.db2.gz DVXSZWATHYYQRZ-QLFBSQMISA-N 0 1 317.389 1.281 10 0 DDAEMN CCn1cc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000714947357 699273248 /nfs/dbraw/zinc/27/32/48/699273248.db2.gz GYCYQXKSFMQNTE-LBPRGKRZSA-N 0 1 309.414 1.645 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H](N3CCC3)C2)C1 ZINC000912916915 713123469 /nfs/dbraw/zinc/12/34/69/713123469.db2.gz SXJLZJSLYBNWSP-KGLIPLIRSA-N 0 1 323.437 1.550 10 0 DDAEMN O=C(N[C@@H]1CCOc2ccccc21)C1CN([C@@H]2CCOC2)C1 ZINC000895484013 711524039 /nfs/dbraw/zinc/52/40/39/711524039.db2.gz WEKWHAQIWKXSPJ-UKRRQHHQSA-N 0 1 302.374 1.347 10 0 DDAEMN N[C@]1(C(=O)NCc2ccc(Br)s2)CCOC1 ZINC000082963812 185209770 /nfs/dbraw/zinc/20/97/70/185209770.db2.gz QGDZENYKMCOSSW-SNVBAGLBSA-N 0 1 305.197 1.245 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@](C)(O)c1ccco1 ZINC000173675924 282182047 /nfs/dbraw/zinc/18/20/47/282182047.db2.gz MMCAUZWBKDZAOD-YJBOKZPZSA-N 0 1 316.401 1.776 10 0 DDAEMN COCCNC(=O)[C@H](C)[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087572020 185228442 /nfs/dbraw/zinc/22/84/42/185228442.db2.gz AYWADRQCMNDGNH-LBPRGKRZSA-N 0 1 300.399 1.247 10 0 DDAEMN CCNCc1nnnn1-c1cc(OC)ccc1Br ZINC000088322384 185245678 /nfs/dbraw/zinc/24/56/78/185245678.db2.gz OLNCOJXSANJOND-UHFFFAOYSA-N 0 1 312.171 1.543 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H](C)[C@@H](N)c1ccc(CC)cc1 ZINC000081977251 192348392 /nfs/dbraw/zinc/34/83/92/192348392.db2.gz BMOAFCJXPZFJBP-IAQYHMDHSA-N 0 1 313.419 1.615 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)C(C)C ZINC000183653145 539242752 /nfs/dbraw/zinc/24/27/52/539242752.db2.gz KCYWPQFUPARMIH-IAGOWNOFSA-N 0 1 317.433 1.614 10 0 DDAEMN CCC[C@@H](COC)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540854 185255649 /nfs/dbraw/zinc/25/56/49/185255649.db2.gz XTOAPZBNWQKDMO-NSHDSACASA-N 0 1 304.412 1.435 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000088833802 185266606 /nfs/dbraw/zinc/26/66/06/185266606.db2.gz OFOKSXSNXULCJA-VIFPVBQESA-N 0 1 311.373 1.538 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000088875635 185268019 /nfs/dbraw/zinc/26/80/19/185268019.db2.gz AHYDTICFFFISAN-SECBINFHSA-N 0 1 307.375 1.350 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1csc(CO)c1 ZINC000088892468 185269923 /nfs/dbraw/zinc/26/99/23/185269923.db2.gz POXGGEMWHZVIJE-UHFFFAOYSA-N 0 1 320.480 1.449 10 0 DDAEMN N[C@@H](CS(=O)(=O)C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000081989572 192351368 /nfs/dbraw/zinc/35/13/68/192351368.db2.gz UGVZWKHZPORZDY-LBPRGKRZSA-N 0 1 313.375 1.009 10 0 DDAEMN CC[C@@H]1CN(C(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1C ZINC000092446135 185319050 /nfs/dbraw/zinc/31/90/50/185319050.db2.gz UZDFYSDNIVHEIP-SECBINFHSA-N 0 1 311.304 1.081 10 0 DDAEMN Cc1cc(F)c(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1N ZINC000092622306 185329715 /nfs/dbraw/zinc/32/97/15/185329715.db2.gz IWIQSTMADXVNRE-NSHDSACASA-N 0 1 315.414 1.431 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000092633985 185330606 /nfs/dbraw/zinc/33/06/06/185330606.db2.gz UJTJJELXLYKLBQ-ZDUSSCGKSA-N 0 1 309.435 1.369 10 0 DDAEMN Cc1cc([C@H](C)NC(=O)[C@@H]2Cc3nc[nH]c3CN2)c(C)s1 ZINC000092780158 185340637 /nfs/dbraw/zinc/34/06/37/185340637.db2.gz WBNDQXXWTOKXJV-ZANVPECISA-N 0 1 304.419 1.980 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC(C(F)(F)F)CC1 ZINC000092783658 185341066 /nfs/dbraw/zinc/34/10/66/185341066.db2.gz IMBRMGAMLSMWIE-JTQLQIEISA-N 0 1 302.300 1.225 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2cccc3[nH]ccc32)N(C)C1 ZINC000346927345 539377315 /nfs/dbraw/zinc/37/73/15/539377315.db2.gz QJSPBEKWENEGMM-BBRMVZONSA-N 0 1 301.390 1.546 10 0 DDAEMN CN1C[C@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)CCC1=O ZINC000084063013 192399593 /nfs/dbraw/zinc/39/95/93/192399593.db2.gz PPLXLYLKIRIURE-DGCLKSJQSA-N 0 1 308.403 1.116 10 0 DDAEMN COC(=O)[C@@]1(C)CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000177888091 186199468 /nfs/dbraw/zinc/19/94/68/186199468.db2.gz LPXCBIHNEDBYOK-YJBOKZPZSA-N 0 1 318.417 1.571 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccoc2)C[C@@H]1CC ZINC000172128229 198043025 /nfs/dbraw/zinc/04/30/25/198043025.db2.gz AWQQUKDGYVEXCH-HNNXBMFYSA-N 0 1 309.410 1.922 10 0 DDAEMN COc1ccc(CN[C@H]2CCOC[C@H]2O)c(Br)c1 ZINC000623766628 366045154 /nfs/dbraw/zinc/04/51/54/366045154.db2.gz JKTGDJDJZACDNP-QWHCGFSZSA-N 0 1 316.195 1.697 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000173981916 198275723 /nfs/dbraw/zinc/27/57/23/198275723.db2.gz WBHMTGDCADCMOL-RISCZKNCSA-N 0 1 324.808 1.838 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc[nH]c2=S)CCN1C[C@@H](C)O ZINC000174629222 198361708 /nfs/dbraw/zinc/36/17/08/198361708.db2.gz MSHGXMCULSWQJP-NEPJUHHUSA-N 0 1 309.435 1.288 10 0 DDAEMN CCCc1cc(C(=O)N2CCC[C@@H](c3nncn3CC)C2)n[nH]1 ZINC000109995459 353958641 /nfs/dbraw/zinc/95/86/41/353958641.db2.gz RCFYOAHATSTVOW-GFCCVEGCSA-N 0 1 316.409 1.993 10 0 DDAEMN CCc1ccc([C@@H](C)NCC(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000154940114 354209507 /nfs/dbraw/zinc/20/95/07/354209507.db2.gz WGNWJNQXYPCDCA-OLZOCXBDSA-N 0 1 305.422 1.493 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(OC)CCC2)CCN1C[C@H](C)O ZINC000248492540 354369397 /nfs/dbraw/zinc/36/93/97/354369397.db2.gz OPZLEJJWHMZUEN-UONOGXRCSA-N 0 1 313.442 1.042 10 0 DDAEMN O=C([N-]CCc1csc(C2CC[NH2+]CC2)n1)C(F)(F)F ZINC000536958642 354692604 /nfs/dbraw/zinc/69/26/04/354692604.db2.gz HHGLUWQUNGFBTQ-UHFFFAOYSA-N 0 1 307.341 1.831 10 0 DDAEMN COc1c(Cl)ccc(Cl)c1C(=O)NCCc1nn[nH]n1 ZINC000074803761 191364119 /nfs/dbraw/zinc/36/41/19/191364119.db2.gz RCAVUYSHJOZQRB-UHFFFAOYSA-N 0 1 316.148 1.488 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N(CC)CC)n1 ZINC000080869191 192196344 /nfs/dbraw/zinc/19/63/44/192196344.db2.gz FWKOKGADMJJYGR-SECBINFHSA-N 0 1 306.457 1.812 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N(C)C(C)C)n1 ZINC000080869336 192196373 /nfs/dbraw/zinc/19/63/73/192196373.db2.gz WGBQZBQEMOZVGM-VIFPVBQESA-N 0 1 306.457 1.811 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000080869037 192197496 /nfs/dbraw/zinc/19/74/96/192197496.db2.gz UBVKCJYAKZBMSY-JTQLQIEISA-N 0 1 318.468 1.956 10 0 DDAEMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000080992351 192209843 /nfs/dbraw/zinc/20/98/43/192209843.db2.gz ANSPERPGZQSASR-NSHDSACASA-N 0 1 307.375 1.585 10 0 DDAEMN Cn1cc(CN2CCC[C@H](n3cncn3)C2)c(-c2cccnc2)n1 ZINC000179466048 199040379 /nfs/dbraw/zinc/04/03/79/199040379.db2.gz CQBPFKNUOKMQMC-INIZCTEOSA-N 0 1 323.404 1.911 10 0 DDAEMN COC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180727513 199201883 /nfs/dbraw/zinc/20/18/83/199201883.db2.gz FDWXMVCOYMAWBV-BDAKNGLRSA-N 0 1 316.760 1.807 10 0 DDAEMN O=C(NCCN1CCCOCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000189393406 200393078 /nfs/dbraw/zinc/39/30/78/200393078.db2.gz CMCYBSJEVZMIGW-ZIAGYGMSSA-N 0 1 324.371 1.907 10 0 DDAEMN C[C@H](C(=O)Nc1ccc(N)cc1Cl)N(C)CC1CC(O)C1 ZINC000091450850 193057811 /nfs/dbraw/zinc/05/78/11/193057811.db2.gz KLAOPMBLRQWOEY-GRZMOONWSA-N 0 1 311.813 1.952 10 0 DDAEMN Cc1ncccc1NS(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000091497226 193064137 /nfs/dbraw/zinc/06/41/37/193064137.db2.gz PVLNXWWIWOLKIW-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN O=C([O-])c1ccc(Cl)nc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091672644 193089604 /nfs/dbraw/zinc/08/96/04/193089604.db2.gz RVZZOIXYPQXRLZ-NXEZZACHSA-N 0 1 311.769 1.708 10 0 DDAEMN CCc1nc([C@@H]2CN(CC)CCO2)[nH]c(=O)c1Br ZINC000093897508 193325909 /nfs/dbraw/zinc/32/59/09/193325909.db2.gz XZISRUISQCXQLC-VIFPVBQESA-N 0 1 316.199 1.488 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)N(C)Cc2nnc[nH]2)cc1N ZINC000094639449 193388379 /nfs/dbraw/zinc/38/83/79/193388379.db2.gz YNCXCXINROWNLR-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN C[N@@H+]([C@@H]1COC[C@@H]1C(=O)[O-])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094382973 193367889 /nfs/dbraw/zinc/36/78/89/193367889.db2.gz CMRVRVXPKCYQDN-FRRDWIJNSA-N 0 1 315.435 1.463 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000094459469 193371170 /nfs/dbraw/zinc/37/11/70/193371170.db2.gz JNRNPAZTPVKJLY-GHMZBOCLSA-N 0 1 315.826 1.592 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)NCCN(C)C1CC1 ZINC000094779667 193396932 /nfs/dbraw/zinc/39/69/32/193396932.db2.gz VAGOHOXTNDPMEU-UHFFFAOYSA-N 0 1 301.387 1.089 10 0 DDAEMN CN(C)C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000097253648 193699169 /nfs/dbraw/zinc/69/91/69/193699169.db2.gz RXBZHBSZMCUKCT-IUCAKERBSA-N 0 1 324.855 1.087 10 0 DDAEMN CC(C)[C@@H](CNC(=O)c1sccc1N)N1CCN(C)CC1 ZINC000040769959 183131254 /nfs/dbraw/zinc/13/12/54/183131254.db2.gz FGLRUALNNNJVBI-CYBMUJFWSA-N 0 1 310.467 1.332 10 0 DDAEMN CSc1cccc(NS(=O)(=O)c2cnc(NN)nc2)c1 ZINC000041071027 183162210 /nfs/dbraw/zinc/16/22/10/183162210.db2.gz CDKXNVJAZCTTDZ-UHFFFAOYSA-N 0 1 311.392 1.285 10 0 DDAEMN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCCC[N@@H+](C)C(C)C ZINC000041684693 183216807 /nfs/dbraw/zinc/21/68/07/183216807.db2.gz PRKIOEMPXWHIEP-UHFFFAOYSA-N 0 1 321.468 1.144 10 0 DDAEMN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCCC[N@H+](C)C(C)C ZINC000041684693 183216810 /nfs/dbraw/zinc/21/68/10/183216810.db2.gz PRKIOEMPXWHIEP-UHFFFAOYSA-N 0 1 321.468 1.144 10 0 DDAEMN C[C@H](C[N@@H+](C)CC(=O)NCCc1cccc(Cl)c1)C(=O)[O-] ZINC000042706476 183299260 /nfs/dbraw/zinc/29/92/60/183299260.db2.gz NVQJXBYYSRPMCX-LLVKDONJSA-N 0 1 312.797 1.651 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(NN)cc1 ZINC000042782273 183308281 /nfs/dbraw/zinc/30/82/81/183308281.db2.gz ISNAHAXYDIKILI-UHFFFAOYSA-N 0 1 314.455 1.181 10 0 DDAEMN C[C@H](CN1CCCC1)NS(=O)(=O)c1c(N)cccc1Cl ZINC000045166654 183487472 /nfs/dbraw/zinc/48/74/72/183487472.db2.gz VKLSHKLKYOEORG-SNVBAGLBSA-N 0 1 317.842 1.685 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000105821591 194138175 /nfs/dbraw/zinc/13/81/75/194138175.db2.gz HGSBNCWJBUIAAY-HUUCEWRRSA-N 0 1 305.422 1.036 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1Cl ZINC000105932716 194173461 /nfs/dbraw/zinc/17/34/61/194173461.db2.gz MBVDGMFTDILAEU-NWDGAFQWSA-N 0 1 311.813 1.587 10 0 DDAEMN O=c1nc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)[n-]c2ccsc21 ZINC000106219410 194191298 /nfs/dbraw/zinc/19/12/98/194191298.db2.gz TVDAHXQOKLEQJL-SNVBAGLBSA-N 0 1 316.390 1.413 10 0 DDAEMN O=c1nc(C[N@H+]2CCC[C@@H](n3cncn3)C2)[n-]c2ccsc21 ZINC000106219410 194191299 /nfs/dbraw/zinc/19/12/99/194191299.db2.gz TVDAHXQOKLEQJL-SNVBAGLBSA-N 0 1 316.390 1.413 10 0 DDAEMN Cc1[nH]c(=O)sc1S(=O)(=O)Nc1nc2ccccc2[nH]1 ZINC000110536885 194338486 /nfs/dbraw/zinc/33/84/86/194338486.db2.gz FBEKFJSXDLEHDN-UHFFFAOYSA-N 0 1 310.360 1.422 10 0 DDAEMN CCN1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)C[C@@H]1C ZINC000110753078 194357275 /nfs/dbraw/zinc/35/72/75/194357275.db2.gz PQALOONQFWZHMF-JSGCOSHPSA-N 0 1 305.447 1.609 10 0 DDAEMN CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC000110927433 194370021 /nfs/dbraw/zinc/37/00/21/194370021.db2.gz SZVNCOKKRQOSPY-JTQLQIEISA-N 0 1 313.195 1.979 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1N ZINC000061642483 184180362 /nfs/dbraw/zinc/18/03/62/184180362.db2.gz SIRNWAYAWNQGQY-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN O=S1(=O)CCC(NC2=N[C@H](c3ccccc3)CS2)CC1 ZINC000063002029 184265487 /nfs/dbraw/zinc/26/54/87/184265487.db2.gz ZDTMTPGOVAUWJC-ZDUSSCGKSA-N 0 1 310.444 1.997 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3C[C@@H]3C)n2)cc1 ZINC000120600051 195198957 /nfs/dbraw/zinc/19/89/57/195198957.db2.gz QSPRUDCDSZWUSL-JOYOIKCWSA-N 0 1 301.350 1.688 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@@H]3C)n[nH]2)cc1 ZINC000120600051 195198958 /nfs/dbraw/zinc/19/89/58/195198958.db2.gz QSPRUDCDSZWUSL-JOYOIKCWSA-N 0 1 301.350 1.688 10 0 DDAEMN COCCN1CCN(Cc2ccccc2C(=O)OC)C[C@@H]1C ZINC000120773518 195235290 /nfs/dbraw/zinc/23/52/90/195235290.db2.gz FEIXIJQFBFHPOR-AWEZNQCLSA-N 0 1 306.406 1.626 10 0 DDAEMN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccncc2)O1 ZINC000247479977 257119771 /nfs/dbraw/zinc/11/97/71/257119771.db2.gz IMHFXYMOXJVHMG-OAGGEKHMSA-N 0 1 301.390 1.340 10 0 DDAEMN COC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C ZINC000078805959 407046701 /nfs/dbraw/zinc/04/67/01/407046701.db2.gz NTOOHMHBISSEID-NSHDSACASA-N 0 1 321.345 1.831 10 0 DDAEMN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000079306311 407052547 /nfs/dbraw/zinc/05/25/47/407052547.db2.gz PMZQPGRITPOPIM-STQMWFEESA-N 0 1 324.421 1.896 10 0 DDAEMN CCc1ccc([C@H]2CCCCN2CCN2C(=O)CNC2=O)o1 ZINC000124899020 407373006 /nfs/dbraw/zinc/37/30/06/407373006.db2.gz PJVVOIJAWZOUFJ-CYBMUJFWSA-N 0 1 305.378 1.921 10 0 DDAEMN COC(=O)CNC(=O)CCN1CCCC[C@H]1c1nccs1 ZINC000111211419 407400551 /nfs/dbraw/zinc/40/05/51/407400551.db2.gz KBCPFOFTKMRMOU-NSHDSACASA-N 0 1 311.407 1.349 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)NCc3cscn3)CC2)CCO1 ZINC000127411725 407436286 /nfs/dbraw/zinc/43/62/86/407436286.db2.gz DBFOTCYIAXBATG-GFCCVEGCSA-N 0 1 324.450 1.538 10 0 DDAEMN Cc1ccc(C[N@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)nc1 ZINC000257183722 407484915 /nfs/dbraw/zinc/48/49/15/407484915.db2.gz HUPLMWIBYOMAFW-DZGCQCFKSA-N 0 1 314.389 1.858 10 0 DDAEMN Cc1ccc(CN2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)nc1 ZINC000257183722 407484924 /nfs/dbraw/zinc/48/49/24/407484924.db2.gz HUPLMWIBYOMAFW-DZGCQCFKSA-N 0 1 314.389 1.858 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000151560801 407456977 /nfs/dbraw/zinc/45/69/77/407456977.db2.gz BGDRVNFFEDMEKN-AWEZNQCLSA-N 0 1 324.396 1.501 10 0 DDAEMN Cc1ccccc1CCNC(=O)[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178623258 407515236 /nfs/dbraw/zinc/51/52/36/407515236.db2.gz RKMSUKUUPDIJNM-FUHWJXTLSA-N 0 1 315.461 1.822 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000262233829 407771310 /nfs/dbraw/zinc/77/13/10/407771310.db2.gz HCBVGXQCMLNQOI-CYBMUJFWSA-N 0 1 312.360 1.867 10 0 DDAEMN COc1cccc(-c2noc(N3C[C@@H]4OCCN(C)[C@H]4C3)n2)c1 ZINC000153194550 407771718 /nfs/dbraw/zinc/77/17/18/407771718.db2.gz NPGNJYAHVUPDLA-KBPBESRZSA-N 0 1 316.361 1.264 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000262248984 407776326 /nfs/dbraw/zinc/77/63/26/407776326.db2.gz ILTCVGPPQBODSJ-RDJZCZTQSA-N 0 1 313.401 1.764 10 0 DDAEMN CN(C)C[C@H]1CN(C(=O)CCC(=O)c2ccccc2)CCO1 ZINC000116796303 407778807 /nfs/dbraw/zinc/77/88/07/407778807.db2.gz ILZJPUAFXYEOJK-HNNXBMFYSA-N 0 1 304.390 1.439 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1CCOC ZINC000117474073 407840152 /nfs/dbraw/zinc/84/01/52/407840152.db2.gz OEMXKMCPWVCPHC-OAHLLOKOSA-N 0 1 309.454 1.927 10 0 DDAEMN CC[C@H](C)CS(=O)(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262896968 407962957 /nfs/dbraw/zinc/96/29/57/407962957.db2.gz AYDOYNLPOBNYAK-STQMWFEESA-N 0 1 320.455 1.233 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000174089678 407914608 /nfs/dbraw/zinc/91/46/08/407914608.db2.gz FLCDFPGQOXLUCG-CZUORRHYSA-N 0 1 314.376 1.387 10 0 DDAEMN FC(F)C(F)(F)COCCN1CCC[C@H](n2cncn2)C1 ZINC000189219254 408004026 /nfs/dbraw/zinc/00/40/26/408004026.db2.gz DZSKURJNLXSCPO-JTQLQIEISA-N 0 1 310.295 1.832 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000175185137 408071157 /nfs/dbraw/zinc/07/11/57/408071157.db2.gz YLMDNBIZILBTGL-AWEZNQCLSA-N 0 1 305.426 1.244 10 0 DDAEMN CNc1c(Cl)ncnc1NC[C@H](c1cnn(C)c1)N(C)C ZINC000136048078 408072357 /nfs/dbraw/zinc/07/23/57/408072357.db2.gz LQSHMVQLBLCKPW-SNVBAGLBSA-N 0 1 309.805 1.620 10 0 DDAEMN CC[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)CCN1CCOC ZINC000175190388 408072655 /nfs/dbraw/zinc/07/26/55/408072655.db2.gz QCACUTNYWDSEEI-CHWSQXEVSA-N 0 1 312.414 1.320 10 0 DDAEMN CO[C@H](C)c1nc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cs1 ZINC000175188798 408074699 /nfs/dbraw/zinc/07/46/99/408074699.db2.gz ADYLXRKHYFSSNO-YNEHKIRRSA-N 0 1 313.467 1.737 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NC3C[C@@H](C)O[C@H](C)C3)CCO2)n[nH]1 ZINC000155109834 408126681 /nfs/dbraw/zinc/12/66/81/408126681.db2.gz AMCKNMMVMQRUEZ-BREBYQMCSA-N 0 1 323.397 1.152 10 0 DDAEMN CC(C)(C)S(=O)(=O)c1ccc(N2CCN3CCC[C@H]3C2)cn1 ZINC000246059921 408132066 /nfs/dbraw/zinc/13/20/66/408132066.db2.gz AQUKYXWGQXQRNM-AWEZNQCLSA-N 0 1 323.462 1.938 10 0 DDAEMN CCOC(=O)c1cccnc1NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263542159 408166736 /nfs/dbraw/zinc/16/67/36/408166736.db2.gz DNFPWIBLIQZHRS-UHFFFAOYSA-N 0 1 321.377 1.608 10 0 DDAEMN O=C(N[C@H]1COc2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000246431794 408256736 /nfs/dbraw/zinc/25/67/36/408256736.db2.gz MZDZBYAREUZMBY-ZFWWWQNUSA-N 0 1 301.390 2.000 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCN(C)CC3)c2)O1 ZINC000150831125 408207495 /nfs/dbraw/zinc/20/74/95/408207495.db2.gz NENHARIPMOZZMB-YOEHRIQHSA-N 0 1 317.433 1.940 10 0 DDAEMN CNC(=O)[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1 ZINC000246476834 408265942 /nfs/dbraw/zinc/26/59/42/408265942.db2.gz RDGFWJIBVOWSIP-CVEARBPZSA-N 0 1 306.406 1.165 10 0 DDAEMN COC(=O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000158038896 408324139 /nfs/dbraw/zinc/32/41/39/408324139.db2.gz XWFNAUUNEHADBF-AWEZNQCLSA-N 0 1 306.406 1.475 10 0 DDAEMN CC[C@@H]1CN(Cc2nccc(OC)c2OC)CC[N@H+]1C[C@@H](C)O ZINC000190523390 408269146 /nfs/dbraw/zinc/26/91/46/408269146.db2.gz OSUOTQIKAPQQSQ-ZIAGYGMSSA-N 0 1 323.437 1.376 10 0 DDAEMN Cn1cc(N2CCC[C@H](N[C@H](CO)c3ccccc3)C2=O)cn1 ZINC000182931541 408285685 /nfs/dbraw/zinc/28/56/85/408285685.db2.gz BNDVJPLEKUFKHR-JKSUJKDBSA-N 0 1 314.389 1.239 10 0 DDAEMN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000182997991 408303283 /nfs/dbraw/zinc/30/32/83/408303283.db2.gz LSGBPBRWPLATSU-YUMQZZPRSA-N 0 1 304.799 1.730 10 0 DDAEMN C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176195923 408307608 /nfs/dbraw/zinc/30/76/08/408307608.db2.gz GZOJSHSRDASFHU-DCAQKATOSA-N 0 1 323.397 1.675 10 0 DDAEMN C[C@H](CNCc1nccn1-c1ccccc1)N1CCOCC1 ZINC000190728365 408310822 /nfs/dbraw/zinc/31/08/22/408310822.db2.gz PZPFQENXPZATBU-OAHLLOKOSA-N 0 1 300.406 1.683 10 0 DDAEMN COCc1ccc([C@H]2CCCN2C[C@H](O)CN2CCCC2=O)o1 ZINC000131438240 162015360 /nfs/dbraw/zinc/01/53/60/162015360.db2.gz HOXCDEJGTBPZFU-DZGCQCFKSA-N 0 1 322.405 1.546 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCc3[nH]ncc31)CC2 ZINC000134357882 162077205 /nfs/dbraw/zinc/07/72/05/162077205.db2.gz HXDGIAQVOHSQJW-GHMZBOCLSA-N 0 1 314.393 1.115 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)[C@@H](C)CC)CCO2)n[nH]1 ZINC000137349070 162126975 /nfs/dbraw/zinc/12/69/75/162126975.db2.gz ZFUWVZDLSOPLCZ-TUAOUCFPSA-N 0 1 309.414 1.885 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173523239 162345390 /nfs/dbraw/zinc/34/53/90/162345390.db2.gz DHDHDNYRZRQBBQ-CQSZACIVSA-N 0 1 300.362 1.944 10 0 DDAEMN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173512563 162345687 /nfs/dbraw/zinc/34/56/87/162345687.db2.gz PECGFVZTVLTGCC-ZIAGYGMSSA-N 0 1 311.426 1.454 10 0 DDAEMN COCc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173517625 162345908 /nfs/dbraw/zinc/34/59/08/162345908.db2.gz KXGVBMFZAHYHSV-AWEZNQCLSA-N 0 1 316.361 1.473 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccccc3Cl)CCO2)n[nH]1 ZINC000173548897 162347374 /nfs/dbraw/zinc/34/73/74/162347374.db2.gz QSCZRNQVLCUGNF-LBPRGKRZSA-N 0 1 306.753 1.980 10 0 DDAEMN C[C@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176741529 408429082 /nfs/dbraw/zinc/42/90/82/408429082.db2.gz IFKIVCIIVPQSCU-UWVGGRQHSA-N 0 1 309.370 1.239 10 0 DDAEMN CCN(CC(=O)N1CCO[C@H](c2cnn(CC)c2)C1)C1CC1 ZINC000191778475 408487838 /nfs/dbraw/zinc/48/78/38/408487838.db2.gz VSHRVDMDOLCRHI-HNNXBMFYSA-N 0 1 306.410 1.287 10 0 DDAEMN CCO[C@H]1C[C@@H](N(C)C(=O)CCc2nc[nH]n2)C12CCCC2 ZINC000177226448 408556248 /nfs/dbraw/zinc/55/62/48/408556248.db2.gz KMCSEQOTVSXAPL-OLZOCXBDSA-N 0 1 306.410 1.934 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cn1)N(C)C ZINC000161801613 408638738 /nfs/dbraw/zinc/63/87/38/408638738.db2.gz AGOWTYVSFMNFBT-ZDUSSCGKSA-N 0 1 304.394 1.877 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(C)c2)CCN1C[C@@H](C)O ZINC000184804728 408693894 /nfs/dbraw/zinc/69/38/94/408693894.db2.gz WPRPCYBVYYFGFF-NVXWUHKLSA-N 0 1 319.449 1.982 10 0 DDAEMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC000165004821 408806036 /nfs/dbraw/zinc/80/60/36/408806036.db2.gz AALMYQWVPCEJJG-CHWSQXEVSA-N 0 1 319.405 1.625 10 0 DDAEMN CC[N@H+]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000193820280 408745959 /nfs/dbraw/zinc/74/59/59/408745959.db2.gz ILYBHNZRVYMARN-SNVBAGLBSA-N 0 1 322.352 1.867 10 0 DDAEMN COCCC(C)(C)CNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000185139656 408768026 /nfs/dbraw/zinc/76/80/26/408768026.db2.gz QLPAIBBRWXGDFR-UONOGXRCSA-N 0 1 315.458 1.146 10 0 DDAEMN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN2CCCC[C@H]2C1 ZINC000250244866 408777088 /nfs/dbraw/zinc/77/70/88/408777088.db2.gz VZLZCBAAMDDNRS-HOCLYGCPSA-N 0 1 319.449 1.474 10 0 DDAEMN CCC(=O)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250206802 408777189 /nfs/dbraw/zinc/77/71/89/408777189.db2.gz RJCSMSBRDWRADF-CABCVRRESA-N 0 1 307.438 1.332 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000250205498 408777314 /nfs/dbraw/zinc/77/73/14/408777314.db2.gz QIFRLKVIVQQMCA-UONOGXRCSA-N 0 1 311.426 1.454 10 0 DDAEMN CCc1nc([C@H]2CN(c3ncnc4onc(C)c43)CCO2)n[nH]1 ZINC000192493648 163225739 /nfs/dbraw/zinc/22/57/39/163225739.db2.gz ONUFNJIPCFVERX-SECBINFHSA-N 0 1 315.337 1.185 10 0 DDAEMN COc1ncccc1CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000193335554 163252671 /nfs/dbraw/zinc/25/26/71/163252671.db2.gz OIAUXAGBVZZCTF-OAHLLOKOSA-N 0 1 313.405 1.981 10 0 DDAEMN COc1ccccc1OCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195095249 163306146 /nfs/dbraw/zinc/30/61/46/163306146.db2.gz MSJVYPMFKJURSF-CQSZACIVSA-N 0 1 304.390 1.771 10 0 DDAEMN Cc1nn(C)c(CNC[C@H](O)C(C)(C)C)c1Br ZINC000279194280 409168267 /nfs/dbraw/zinc/16/82/67/409168267.db2.gz UHBZLBFDZYYZKK-JTQLQIEISA-N 0 1 304.232 1.988 10 0 DDAEMN CCCN(C(=O)[C@@H](N)COC)[C@H](C)C(=O)Nc1ccccc1 ZINC000262345590 163811493 /nfs/dbraw/zinc/81/14/93/163811493.db2.gz FXAMALXQUIPJPF-OCCSQVGLSA-N 0 1 307.394 1.226 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000262875647 163888242 /nfs/dbraw/zinc/88/82/42/163888242.db2.gz DOMXGPOCYFJHIL-INIZCTEOSA-N 0 1 316.401 1.724 10 0 DDAEMN O=C(C/C=C/c1ccc(F)cc1)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000285585281 409499050 /nfs/dbraw/zinc/49/90/50/409499050.db2.gz BEQYOIJAMGROSQ-XGBNDESESA-N 0 1 316.336 1.467 10 0 DDAEMN Cc1cccc(NC[C@@H]2CCN(c3ncnc4n[nH]cc43)C2)n1 ZINC000301133377 410664418 /nfs/dbraw/zinc/66/44/18/410664418.db2.gz VIPXOSGYAPRVQM-LBPRGKRZSA-N 0 1 309.377 1.995 10 0 DDAEMN CN(C)CC1(CNC2=NS(=O)(=O)c3ccccc32)CCCC1 ZINC000302140262 410840335 /nfs/dbraw/zinc/84/03/35/410840335.db2.gz DNXFKWVJWSPURO-UHFFFAOYSA-N 0 1 321.446 1.847 10 0 DDAEMN CCCn1c(C)cc(C(=O)CN2CCO[C@@H](CN(C)C)C2)c1C ZINC000131512703 196176447 /nfs/dbraw/zinc/17/64/47/196176447.db2.gz NQBPRZCDJBHJEF-INIZCTEOSA-N 0 1 321.465 1.960 10 0 DDAEMN C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404557786 418771862 /nfs/dbraw/zinc/77/18/62/418771862.db2.gz UTZTYXABBCKTBI-IMJJTQAJSA-N 0 1 304.390 1.181 10 0 DDAEMN Cc1nn(C)c(C)c1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746695 229389616 /nfs/dbraw/zinc/38/96/16/229389616.db2.gz ZFQAIIGXSRTVGA-GHMZBOCLSA-N 0 1 304.316 1.133 10 0 DDAEMN Cc1nc(C[C@H]2CCCN(c3ccncc3C(N)=O)C2)no1 ZINC000302205246 230163136 /nfs/dbraw/zinc/16/31/36/230163136.db2.gz CXENXUGCUOFUKQ-LLVKDONJSA-N 0 1 301.350 1.331 10 0 DDAEMN COc1ccccc1OCCN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618011 422203404 /nfs/dbraw/zinc/20/34/04/422203404.db2.gz UDORDPUCTGXLHE-INIZCTEOSA-N 0 1 318.377 1.176 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)C1 ZINC000630655946 422245629 /nfs/dbraw/zinc/24/56/29/422245629.db2.gz GHOCKAAIUCKZFF-BMFZPTHFSA-N 0 1 316.401 1.973 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)C1 ZINC000630655946 422245634 /nfs/dbraw/zinc/24/56/34/422245634.db2.gz GHOCKAAIUCKZFF-BMFZPTHFSA-N 0 1 316.401 1.973 10 0 DDAEMN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2c(s1)CCC2 ZINC000583614703 422197453 /nfs/dbraw/zinc/19/74/53/422197453.db2.gz IVUFTMQVVFLKFO-FZMZJTMJSA-N 0 1 304.419 1.985 10 0 DDAEMN C[C@H](O)C1CCN(C(=O)[C@H](N)[C@H](C)OCc2ccccc2)CC1 ZINC000637975477 422523471 /nfs/dbraw/zinc/52/34/71/422523471.db2.gz NRSUJHPTWMMINE-GRDNDAEWSA-N 0 1 320.433 1.538 10 0 DDAEMN C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C[NH3+] ZINC000638893176 423181094 /nfs/dbraw/zinc/18/10/94/423181094.db2.gz LSQZHNBWZOTJBQ-RKDXNWHRSA-N 0 1 313.195 1.822 10 0 DDAEMN CN1CCN(C[C@H](O)Cc2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000649520756 423992365 /nfs/dbraw/zinc/99/23/65/423992365.db2.gz JNSQBJYDYAUXDR-HZPDHXFCSA-N 0 1 300.406 1.302 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc[nH]c2=S)CCN1C[C@@H](C)O ZINC000174629211 280390644 /nfs/dbraw/zinc/39/06/44/280390644.db2.gz MSHGXMCULSWQJP-VXGBXAGGSA-N 0 1 309.435 1.288 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000247023574 282029799 /nfs/dbraw/zinc/02/97/99/282029799.db2.gz WYGUJARFLIQUTO-NEPJUHHUSA-N 0 1 312.360 1.421 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000247023574 282029803 /nfs/dbraw/zinc/02/98/03/282029803.db2.gz WYGUJARFLIQUTO-NEPJUHHUSA-N 0 1 312.360 1.421 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCOC(C)C)CCN1CCOC ZINC000172321499 298245717 /nfs/dbraw/zinc/24/57/17/298245717.db2.gz RVPWHFQYOLAWMB-HNNXBMFYSA-N 0 1 315.458 1.554 10 0 DDAEMN C[C@]1(c2ccccc2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)[O-] ZINC000584639467 337379852 /nfs/dbraw/zinc/37/98/52/337379852.db2.gz LSRRWVRFNOYAHT-MRXNPFEDSA-N 0 1 302.374 1.731 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccncn2)n[nH]1 ZINC000328749888 534552552 /nfs/dbraw/zinc/55/25/52/534552552.db2.gz QYUWWPHKGXSDTM-ZDUSSCGKSA-N 0 1 300.366 1.590 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)CCc2cncn2C)n[nH]1 ZINC000328670291 534554085 /nfs/dbraw/zinc/55/40/85/534554085.db2.gz GIXYOKZZSGSMHU-ZDUSSCGKSA-N 0 1 302.382 1.533 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N2CCC(c3cc[nH]n3)CC2)n[nH]1 ZINC000158023256 524821605 /nfs/dbraw/zinc/82/16/05/524821605.db2.gz OISJUJUOQRSAGY-LLVKDONJSA-N 0 1 316.409 1.961 10 0 DDAEMN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000113444836 696657204 /nfs/dbraw/zinc/65/72/04/696657204.db2.gz RIXKSAUGFUBCTJ-NWDGAFQWSA-N 0 1 312.373 1.232 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000113444836 696657205 /nfs/dbraw/zinc/65/72/05/696657205.db2.gz RIXKSAUGFUBCTJ-NWDGAFQWSA-N 0 1 312.373 1.232 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)c3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000173671766 697380432 /nfs/dbraw/zinc/38/04/32/697380432.db2.gz LKHKKTAUYNEPQN-KBPBESRZSA-N 0 1 324.331 1.498 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000179250809 697435446 /nfs/dbraw/zinc/43/54/46/697435446.db2.gz KWVAHLRQENCLIL-BMFZPTHFSA-N 0 1 306.406 1.024 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCN1C[C@@H](C)O ZINC000179250809 697435447 /nfs/dbraw/zinc/43/54/47/697435447.db2.gz KWVAHLRQENCLIL-BMFZPTHFSA-N 0 1 306.406 1.024 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000183730821 697492375 /nfs/dbraw/zinc/49/23/75/697492375.db2.gz FWZFCUMOBHUZGW-MXWKQRLJSA-N 0 1 324.343 1.357 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000262718954 698478538 /nfs/dbraw/zinc/47/85/38/698478538.db2.gz OQTSRJPGMGEYDO-PIMMBPRGSA-N 0 1 318.373 1.044 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000263500523 698510160 /nfs/dbraw/zinc/51/01/60/698510160.db2.gz VGUJXZLOORYTAW-NUYPLMSZSA-N 0 1 323.437 1.896 10 0 DDAEMN Cc1ncccc1CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263525554 698511511 /nfs/dbraw/zinc/51/15/11/698511511.db2.gz TWWGQYPYVSXIQS-UHFFFAOYSA-N 0 1 303.406 1.807 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(CC2CCC(C)(C)CC2)CCO1 ZINC000263525263 698511701 /nfs/dbraw/zinc/51/17/01/698511701.db2.gz SZEIMMZTWDFVTO-HNNXBMFYSA-N 0 1 312.454 1.920 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826794120 705873133 /nfs/dbraw/zinc/87/31/33/705873133.db2.gz NMGFXYKGCWLMGR-CABCVRRESA-N 0 1 305.426 1.223 10 0 DDAEMN CO[C@@H]1CN(Cc2cccc3c2OCO3)C[C@H]1c1cn(C)nn1 ZINC000886093478 708696910 /nfs/dbraw/zinc/69/69/10/708696910.db2.gz ZPGYGRCXKXQSIX-SWLSCSKDSA-N 0 1 316.361 1.158 10 0 DDAEMN Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C)C2)n1 ZINC000900604190 709673585 /nfs/dbraw/zinc/67/35/85/709673585.db2.gz RFTSDFSGABBRHE-BFYDXBDKSA-N 0 1 320.437 1.119 10 0 DDAEMN C[NH2+][C@H](CSc1nccc(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000081775152 192322719 /nfs/dbraw/zinc/32/27/19/192322719.db2.gz YVNGXCPHXYHYET-SNVBAGLBSA-N 0 1 305.359 1.964 10 0 DDAEMN C[C@@H](c1ccc(F)cc1Cl)N(C)CC(=O)N1CCNCC1 ZINC000078902993 185126271 /nfs/dbraw/zinc/12/62/71/185126271.db2.gz XASCFNJUPYOIIP-NSHDSACASA-N 0 1 313.804 1.904 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)CN2CCCCCC2=O)n[nH]1 ZINC000328729498 231323883 /nfs/dbraw/zinc/32/38/83/231323883.db2.gz HLAJEXLWKFQUAV-CYBMUJFWSA-N 0 1 319.409 1.569 10 0 DDAEMN Nc1cc(C(=O)NCCc2cnc[nH]2)ccc1Br ZINC000087537686 185228175 /nfs/dbraw/zinc/22/81/75/185228175.db2.gz OSJZYIXKBBGGII-UHFFFAOYSA-N 0 1 309.167 1.727 10 0 DDAEMN NNc1ncc(Br)c(Oc2ccccc2CO)n1 ZINC000087889389 185234646 /nfs/dbraw/zinc/23/46/46/185234646.db2.gz MPQGVLDHGKPVQK-UHFFFAOYSA-N 0 1 311.139 1.809 10 0 DDAEMN COc1ccc(Br)c(CN2CCCNCC2=O)c1 ZINC000087882136 185234382 /nfs/dbraw/zinc/23/43/82/185234382.db2.gz UJLOXJDHJOBGFG-UHFFFAOYSA-N 0 1 313.195 1.780 10 0 DDAEMN CCCc1ccc([C@@H](N)CS(=O)(=O)CC(=O)OCC)cc1 ZINC000081977454 192347968 /nfs/dbraw/zinc/34/79/68/192347968.db2.gz OWLAJHLBPPSIHV-AWEZNQCLSA-N 0 1 313.419 1.617 10 0 DDAEMN CCOc1cccc(CNC(=O)CN[C@@H](C(=O)NC)C(C)C)c1 ZINC000183687321 539243053 /nfs/dbraw/zinc/24/30/53/539243053.db2.gz YZWWXHMSPWOWNF-MRXNPFEDSA-N 0 1 321.421 1.062 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cn(C)nc3CC)CCO2)n[nH]1 ZINC000183416227 539242125 /nfs/dbraw/zinc/24/21/25/539242125.db2.gz HMZYKNJGRFHSST-CYBMUJFWSA-N 0 1 304.398 1.237 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1CCCc2ccccc21)C(C)C ZINC000183632855 539242505 /nfs/dbraw/zinc/24/25/05/539242505.db2.gz MGPWSQHVNQKXCK-MRXNPFEDSA-N 0 1 303.406 1.326 10 0 DDAEMN CC(C)(C)OC(=O)N1CCC(N[C@H]2C=CS(=O)(=O)C2)CC1 ZINC000088854797 185267214 /nfs/dbraw/zinc/26/72/14/185267214.db2.gz YTGHXHOFITTZST-LBPRGKRZSA-N 0 1 316.423 1.286 10 0 DDAEMN COCCCS(=O)(=O)[C@@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000081985892 192349519 /nfs/dbraw/zinc/34/95/19/192349519.db2.gz HBCDPQAVZVLMAW-SMDDNHRTSA-N 0 1 301.408 1.535 10 0 DDAEMN Cc1csc2nc(C)c(CN[C@H]3CCC(=O)N(C)C3=O)n12 ZINC000090025493 185278857 /nfs/dbraw/zinc/27/88/57/185278857.db2.gz CMGOXHGFZLNKBC-JTQLQIEISA-N 0 1 306.391 1.250 10 0 DDAEMN Nc1cnc2ccc(Br)cc2c1NC[C@@H](O)CO ZINC000090282678 185289241 /nfs/dbraw/zinc/28/92/41/185289241.db2.gz ICSNBPUKIHVFPB-MRVPVSSYSA-N 0 1 312.167 1.345 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255223560 282241300 /nfs/dbraw/zinc/24/13/00/282241300.db2.gz NRMMHLZPVOEUQI-JZIMQPMSSA-N 0 1 307.369 1.149 10 0 DDAEMN CCNc1ncccc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092672737 185332995 /nfs/dbraw/zinc/33/29/95/185332995.db2.gz BYEVNXCXEYRUNX-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1CO ZINC000092678291 185333358 /nfs/dbraw/zinc/33/33/58/185333358.db2.gz SJDHRHASXVKMTR-AWEZNQCLSA-N 0 1 312.435 1.202 10 0 DDAEMN O=C1[C@@H]2Cc3nc[nH]c3CN2C(=O)N1c1ccccc1Cl ZINC000092779330 185340128 /nfs/dbraw/zinc/34/01/28/185340128.db2.gz RQULYJNQPXBZHL-LBPRGKRZSA-N 0 1 302.721 1.957 10 0 DDAEMN CNC(=O)c1ccc([C@@H]2CCCCN2CCn2cccn2)n1C ZINC000328642039 529944349 /nfs/dbraw/zinc/94/43/49/529944349.db2.gz QUFXRUNSVYSPQQ-HNNXBMFYSA-N 0 1 315.421 1.808 10 0 DDAEMN CCc1nc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)n[nH]1 ZINC000181692650 199339492 /nfs/dbraw/zinc/33/94/92/199339492.db2.gz JTZVIDUCVIZXKV-ZDUSSCGKSA-N 0 1 304.398 1.081 10 0 DDAEMN CC(C)CCOc1ccc([C@H](C)NCC(=O)NC(N)=O)cc1 ZINC000181739607 199345756 /nfs/dbraw/zinc/34/57/56/199345756.db2.gz KAANMBZNVGLRDG-LBPRGKRZSA-N 0 1 307.394 1.957 10 0 DDAEMN CC(C)NC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271342 539570566 /nfs/dbraw/zinc/57/05/66/539570566.db2.gz DKVBIAQUZBLSSZ-CMPLNLGQSA-N 0 1 311.455 1.643 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3cccc(O)c3)C2=O)n(C)n1 ZINC000080526230 192164888 /nfs/dbraw/zinc/16/48/88/192164888.db2.gz NIMREZIXSMAEMU-HNNXBMFYSA-N 0 1 314.389 1.719 10 0 DDAEMN Cc1sc(=O)n(CCC(=O)N2CCN3CCCC[C@@H]3C2)c1C ZINC000172066949 198033677 /nfs/dbraw/zinc/03/36/77/198033677.db2.gz YWHWFZQCUBONEK-CQSZACIVSA-N 0 1 323.462 1.613 10 0 DDAEMN O[C@@H]1COCC[C@@H]1NCc1ccc(F)cc1Br ZINC000623766772 366045618 /nfs/dbraw/zinc/04/56/18/366045618.db2.gz LSYJOXHATQVYGY-NWDGAFQWSA-N 0 1 304.159 1.828 10 0 DDAEMN Cc1cc2nc(C)cc(N3CCN(C[C@@H]4CCCO4)CC3)n2n1 ZINC000072432019 191165050 /nfs/dbraw/zinc/16/50/50/191165050.db2.gz JVRAAHYGJJUFDO-HNNXBMFYSA-N 0 1 315.421 1.647 10 0 DDAEMN CN(C)CCN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034331281 352291740 /nfs/dbraw/zinc/29/17/40/352291740.db2.gz OKKZFXXKPPKEOG-UHFFFAOYSA-N 0 1 321.786 1.430 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173577875 198230151 /nfs/dbraw/zinc/23/01/51/198230151.db2.gz VVKJAQJNJLQDGN-CQSZACIVSA-N 0 1 314.389 1.818 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3c(C)nn(C)c3C)CCO2)n[nH]1 ZINC000173688475 198240608 /nfs/dbraw/zinc/24/06/08/198240608.db2.gz VDTNQZADJFEFJV-CYBMUJFWSA-N 0 1 304.398 1.291 10 0 DDAEMN CC[C@H]1CN(C(=O)COCc2ccccc2)CCN1C[C@@H](C)O ZINC000174612432 198358445 /nfs/dbraw/zinc/35/84/45/198358445.db2.gz GBCRRKZTOCOBLN-WBVHZDCISA-N 0 1 320.433 1.507 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@H]3c3ccncc3)[C@@H](O)[C@@H]2O1 ZINC000106403357 353939363 /nfs/dbraw/zinc/93/93/63/353939363.db2.gz WHVZNXODCFBFHL-CQJMVSDSSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccncc3)[C@@H](O)[C@@H]2O1 ZINC000106403357 353939365 /nfs/dbraw/zinc/93/93/65/353939365.db2.gz WHVZNXODCFBFHL-CQJMVSDSSA-N 0 1 320.389 1.456 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)n[nH]1 ZINC000111089012 353964220 /nfs/dbraw/zinc/96/42/20/353964220.db2.gz KBQQJYBTVRZEIN-CYBMUJFWSA-N 0 1 303.366 1.100 10 0 DDAEMN CCCc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)n[nH]1 ZINC000127315183 354063395 /nfs/dbraw/zinc/06/33/95/354063395.db2.gz KLKBQEHZUNDCIW-LBPRGKRZSA-N 0 1 302.382 1.506 10 0 DDAEMN CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCOC1=O ZINC000328646881 354558337 /nfs/dbraw/zinc/55/83/37/354558337.db2.gz SVMRNIJCQJSNTF-VHSXEESVSA-N 0 1 317.311 1.712 10 0 DDAEMN CNCc1csc(N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000081549670 192288697 /nfs/dbraw/zinc/28/86/97/192288697.db2.gz FEXPOTYMZPOEKM-UHFFFAOYSA-N 0 1 318.328 1.493 10 0 DDAEMN C[C@H](NC(=O)C[NH+]1CC(CC(=O)[O-])C1)c1ccccc1Cl ZINC000081744437 192319134 /nfs/dbraw/zinc/31/91/34/192319134.db2.gz MQORLTMREAGNFN-JTQLQIEISA-N 0 1 310.781 1.924 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000178013454 198804379 /nfs/dbraw/zinc/80/43/79/198804379.db2.gz ZCXHZJNIEZKROZ-QMMMGPOBSA-N 0 1 308.367 1.429 10 0 DDAEMN COC(=O)c1cncc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000180586201 199180598 /nfs/dbraw/zinc/18/05/98/199180598.db2.gz DUIQZESHUFXUHJ-CQSZACIVSA-N 0 1 318.377 1.570 10 0 DDAEMN CO[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000276482074 212909542 /nfs/dbraw/zinc/90/95/42/212909542.db2.gz SBYLWSJLWVSBLS-DOTOQJQBSA-N 0 1 304.390 1.183 10 0 DDAEMN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000237933618 202396563 /nfs/dbraw/zinc/39/65/63/202396563.db2.gz RZOJJBVATDTQNX-QPUJVOFHSA-N 0 1 322.352 1.900 10 0 DDAEMN O=C([C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1)N1CCCCO1 ZINC000096064934 296075856 /nfs/dbraw/zinc/07/58/56/296075856.db2.gz XFVRKDLQJYGKCI-BZUAXINKSA-N 0 1 320.389 1.813 10 0 DDAEMN O=C([C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1)N1CCCCO1 ZINC000096064934 296075857 /nfs/dbraw/zinc/07/58/57/296075857.db2.gz XFVRKDLQJYGKCI-BZUAXINKSA-N 0 1 320.389 1.813 10 0 DDAEMN CCc1nn(C)c(CNCC2CC(O)C2)c1Br ZINC000091525838 193069646 /nfs/dbraw/zinc/06/96/46/193069646.db2.gz AJRZPVFNDAHKEB-UHFFFAOYSA-N 0 1 302.216 1.606 10 0 DDAEMN C[C@@H](NCC(C)(C)S(C)(=O)=O)C(=O)NC1CCCCC1 ZINC000093519600 193263180 /nfs/dbraw/zinc/26/31/80/193263180.db2.gz MLCCHGBZQKKXRF-LLVKDONJSA-N 0 1 304.456 1.237 10 0 DDAEMN CCN1CCO[C@@H](c2noc(-c3csc([C@@H](C)N)n3)n2)C1 ZINC000093897181 193325498 /nfs/dbraw/zinc/32/54/98/193325498.db2.gz UCGVHBHQQURLHJ-PSASIEDQSA-N 0 1 309.395 1.606 10 0 DDAEMN C[C@@H]([NH3+])c1nc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)cs1 ZINC000094223125 193350627 /nfs/dbraw/zinc/35/06/27/193350627.db2.gz GTFGTMSGXHFAQP-ALFREKQPSA-N 0 1 311.285 1.298 10 0 DDAEMN CCNC(=O)CN1CCC(Cn2cnc3ccccc32)CC1 ZINC000038535477 183001420 /nfs/dbraw/zinc/00/14/20/183001420.db2.gz PMRPGNKWFWIUSF-UHFFFAOYSA-N 0 1 300.406 1.884 10 0 DDAEMN Cc1c(N)cccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000041023447 183156428 /nfs/dbraw/zinc/15/64/28/183156428.db2.gz YVCJMQNPLVXQGI-UHFFFAOYSA-N 0 1 304.379 1.262 10 0 DDAEMN Cc1ccc(NS(=O)(=O)c2cnc(NN)nc2)c(Cl)c1 ZINC000041071206 183162277 /nfs/dbraw/zinc/16/22/77/183162277.db2.gz ADINGELKVKQPIO-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN C[C@@H]1CCC[C@@](N)(c2nc3c(s2)CS(=O)(=O)CC3)C1 ZINC000042332498 183255340 /nfs/dbraw/zinc/25/53/40/183255340.db2.gz KUIKPJVJOMGVDI-RNCFNFMXSA-N 0 1 300.449 1.978 10 0 DDAEMN CN(Cc1cc(Br)cs1)C(=O)N1CCNCC1 ZINC000042398998 183264174 /nfs/dbraw/zinc/26/41/74/183264174.db2.gz UQRXPGBTBMMYAK-UHFFFAOYSA-N 0 1 318.240 1.968 10 0 DDAEMN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CNCCO2)c1 ZINC000043708476 183382502 /nfs/dbraw/zinc/38/25/02/183382502.db2.gz LJQROQSISGKDME-GFCCVEGCSA-N 0 1 311.769 1.615 10 0 DDAEMN O[C@@H](CN1CCCN(c2cccnn2)CC1)c1ccccc1F ZINC000105799754 194132864 /nfs/dbraw/zinc/13/28/64/194132864.db2.gz VYFJIWNCCJTUGT-INIZCTEOSA-N 0 1 316.380 1.861 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(CC(F)(F)F)CC2)C1 ZINC000105845926 194145087 /nfs/dbraw/zinc/14/50/87/194145087.db2.gz OTHXHEZCZAJNAB-ZDUSSCGKSA-N 0 1 309.376 1.276 10 0 DDAEMN CCOc1ccnc(N2CCN(CCCCCOC)CC2)n1 ZINC000105917211 194167926 /nfs/dbraw/zinc/16/79/26/194167926.db2.gz QRTIZBJOLBNGGV-UHFFFAOYSA-N 0 1 308.426 1.814 10 0 DDAEMN CNc1ncccc1S(=O)(=O)NCCCc1cn[nH]c1C ZINC000050662046 183796629 /nfs/dbraw/zinc/79/66/29/183796629.db2.gz YYRRXHRAZDJKPP-UHFFFAOYSA-N 0 1 309.395 1.066 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000109471403 194266822 /nfs/dbraw/zinc/26/68/22/194266822.db2.gz RIOWHUYHZBEVEQ-SECBINFHSA-N 0 1 318.368 1.897 10 0 DDAEMN COc1nc(OC)nc(Sc2nc3ccc(N)cc3[nH]2)n1 ZINC000061452491 184171570 /nfs/dbraw/zinc/17/15/70/184171570.db2.gz UDDPHSMGOOQXSZ-UHFFFAOYSA-N 0 1 304.335 1.499 10 0 DDAEMN NNc1nc(CN2CCn3ccnc3C2)nc2sccc21 ZINC000062321336 184230540 /nfs/dbraw/zinc/23/05/40/184230540.db2.gz DKNURDRMTDYWSM-UHFFFAOYSA-N 0 1 301.379 1.189 10 0 DDAEMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCCc2cccs2)C1 ZINC000062876535 184257976 /nfs/dbraw/zinc/25/79/76/184257976.db2.gz FSQXPVVGQNVHOW-OAHLLOKOSA-N 0 1 310.419 1.594 10 0 DDAEMN O=S(=O)(c1ccnc(Cl)c1)N1CC[C@H](N2CCCC2)C1 ZINC000062970839 184263425 /nfs/dbraw/zinc/26/34/25/184263425.db2.gz WPECSDVHBXSJSA-NSHDSACASA-N 0 1 315.826 1.594 10 0 DDAEMN CN(CCc1ccccn1)c1nc(N)[nH+]c2ccc(C(=O)[O-])cc21 ZINC000065407863 184339261 /nfs/dbraw/zinc/33/92/61/184339261.db2.gz ZUZOKNUGHKONIP-UHFFFAOYSA-N 0 1 323.356 1.984 10 0 DDAEMN CCN(CC)CC(=O)Nc1ccc(C(=O)NCCCOC)cc1 ZINC000066212128 184397145 /nfs/dbraw/zinc/39/71/45/184397145.db2.gz ORMROUSPYFKHGJ-UHFFFAOYSA-N 0 1 321.421 1.733 10 0 DDAEMN COCC[N@H+]1CCN(Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000120810469 195242133 /nfs/dbraw/zinc/24/21/33/195242133.db2.gz FELXEEMJKNJIJM-CQSZACIVSA-N 0 1 308.422 1.856 10 0 DDAEMN COCCN1CCN(Cc2cc(OC)cc(OC)c2)C[C@H]1C ZINC000120810469 195242134 /nfs/dbraw/zinc/24/21/34/195242134.db2.gz FELXEEMJKNJIJM-CQSZACIVSA-N 0 1 308.422 1.856 10 0 DDAEMN CC[N@H+]1C[C@H]2CN(c3cc(OC)ncn3)CCC[C@@]2(C(=O)[O-])C1 ZINC000249681986 257107182 /nfs/dbraw/zinc/10/71/82/257107182.db2.gz BTSMRWLPNHDEJE-BLLLJJGKSA-N 0 1 320.393 1.108 10 0 DDAEMN CC(C)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C ZINC000248064871 257110925 /nfs/dbraw/zinc/11/09/25/257110925.db2.gz VTIZPKZZKFSDOX-ZDUSSCGKSA-N 0 1 306.410 1.039 10 0 DDAEMN Cc1noc(C[C@@H]2CO[C@H]3CN(Cc4c(C)noc4C)C[C@H]32)n1 ZINC000248039125 257111660 /nfs/dbraw/zinc/11/16/60/257111660.db2.gz SFFCZZKGKSYLSO-SNPRPXQTSA-N 0 1 318.377 1.672 10 0 DDAEMN Cc1nnc(C[C@@H]2OC[C@@H]3CN(c4ncc(F)cn4)CC[C@H]32)[nH]1 ZINC000503717423 257210057 /nfs/dbraw/zinc/21/00/57/257210057.db2.gz NKGXZUZTIKMSOJ-UHTWSYAYSA-N 0 1 318.356 1.126 10 0 DDAEMN Cc1nc(C[C@@H]2OC[C@@H]3CN(c4ncc(F)cn4)CC[C@H]32)n[nH]1 ZINC000503717423 257210058 /nfs/dbraw/zinc/21/00/58/257210058.db2.gz NKGXZUZTIKMSOJ-UHTWSYAYSA-N 0 1 318.356 1.126 10 0 DDAEMN COc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1OC ZINC000121024705 195281908 /nfs/dbraw/zinc/28/19/08/195281908.db2.gz NGUMCRSHKFNYBH-OAHLLOKOSA-N 0 1 306.406 1.610 10 0 DDAEMN COc1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1OC ZINC000121024705 195281911 /nfs/dbraw/zinc/28/19/11/195281911.db2.gz NGUMCRSHKFNYBH-OAHLLOKOSA-N 0 1 306.406 1.610 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000123375669 195574311 /nfs/dbraw/zinc/57/43/11/195574311.db2.gz XJEUVPXLTPIFQY-HZPDHXFCSA-N 0 1 323.481 1.286 10 0 DDAEMN COc1cc(C)c(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000170873550 286207929 /nfs/dbraw/zinc/20/79/29/286207929.db2.gz UWGRIEIGYIJMQE-CYBMUJFWSA-N 0 1 312.435 1.637 10 0 DDAEMN O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1CC1CC1 ZINC000008698720 406792434 /nfs/dbraw/zinc/79/24/34/406792434.db2.gz CTYLSEGZQOFUMN-HNNXBMFYSA-N 0 1 318.373 1.804 10 0 DDAEMN CC[C@@H]1CN(Cc2nnc(C)n2C2CC2)CC[N@H+]1CCOC ZINC000105837347 407355753 /nfs/dbraw/zinc/35/57/53/407355753.db2.gz SNCJWCNMQDCRMZ-CQSZACIVSA-N 0 1 307.442 1.464 10 0 DDAEMN CC[C@@H]1CN(Cc2nnc(C)n2C2CC2)CCN1CCOC ZINC000105837347 407355755 /nfs/dbraw/zinc/35/57/55/407355755.db2.gz SNCJWCNMQDCRMZ-CQSZACIVSA-N 0 1 307.442 1.464 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000178671024 407540158 /nfs/dbraw/zinc/54/01/58/407540158.db2.gz NFZRKEYFNRQSKP-IRXDYDNUSA-N 0 1 320.433 1.159 10 0 DDAEMN O=C(c1cc(=O)[nH]c(C2CC2)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000186299088 407630881 /nfs/dbraw/zinc/63/08/81/407630881.db2.gz PJIWKCUKZMTWOG-ZDUSSCGKSA-N 0 1 313.361 1.738 10 0 DDAEMN CCN(CC)[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000178866704 407633520 /nfs/dbraw/zinc/63/35/20/407633520.db2.gz QUYGXMHMFWTWSN-CVEARBPZSA-N 0 1 319.449 1.956 10 0 DDAEMN NC(=O)c1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000171564001 407704589 /nfs/dbraw/zinc/70/45/89/407704589.db2.gz DHXVWJCXAIIXSA-AWEZNQCLSA-N 0 1 302.378 1.488 10 0 DDAEMN CCOCCN1CCN(C(=O)CCn2cc(C)cn2)C[C@H]1CC ZINC000116769147 407771776 /nfs/dbraw/zinc/77/17/76/407771776.db2.gz VTLFGCNPZTUMSQ-MRXNPFEDSA-N 0 1 322.453 1.541 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000262233323 407772390 /nfs/dbraw/zinc/77/23/90/407772390.db2.gz HBAHWWXZWGBWPL-HNNXBMFYSA-N 0 1 308.378 1.404 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2ccc(C)nc2)C[C@@H]1CC ZINC000116767850 407773292 /nfs/dbraw/zinc/77/32/92/407773292.db2.gz RUJHHHXCMOMOGS-KRWDZBQOSA-N 0 1 319.449 1.892 10 0 DDAEMN C[NH+](C)C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000116978282 407803793 /nfs/dbraw/zinc/80/37/93/407803793.db2.gz VZBKOFGWZPZERM-AWEZNQCLSA-N 0 1 314.385 1.948 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000262369634 407814926 /nfs/dbraw/zinc/81/49/26/407814926.db2.gz WNRQJHUKJZQJBP-MFKMUULPSA-N 0 1 306.362 1.901 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccccn2)CCN1CCOC ZINC000117308132 407825007 /nfs/dbraw/zinc/82/50/07/407825007.db2.gz INBCMXUAVJEVJK-INIZCTEOSA-N 0 1 305.422 1.583 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@@H](C)COC)CCN1CCOC ZINC000172489221 407831904 /nfs/dbraw/zinc/83/19/04/407831904.db2.gz HHNNOJXNDOAMAJ-KGLIPLIRSA-N 0 1 301.431 1.021 10 0 DDAEMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262452627 407839919 /nfs/dbraw/zinc/83/99/19/407839919.db2.gz GKSJOKCGZDCAFY-CHWSQXEVSA-N 0 1 313.442 1.161 10 0 DDAEMN CCOCCOCc1cccc(NC(=O)[C@@H](N)COC)c1C ZINC000262551198 407861354 /nfs/dbraw/zinc/86/13/54/407861354.db2.gz OTGKQIQTHCNMKY-AWEZNQCLSA-N 0 1 310.394 1.460 10 0 DDAEMN CCc1ccc(CC(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)cc1 ZINC000262684819 407901592 /nfs/dbraw/zinc/90/15/92/407901592.db2.gz BYMNOVDUCDMZFS-UHFFFAOYSA-N 0 1 318.417 1.845 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000174534367 407960726 /nfs/dbraw/zinc/96/07/26/407960726.db2.gz AWOJCUNHUKAACV-RDJZCZTQSA-N 0 1 301.434 1.816 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CCN1C[C@@H](C)O ZINC000174600472 407965898 /nfs/dbraw/zinc/96/58/98/407965898.db2.gz SXETXPLMVCWYAL-CHWSQXEVSA-N 0 1 322.453 1.624 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)[nH]n1 ZINC000174599393 407966695 /nfs/dbraw/zinc/96/66/95/407966695.db2.gz RLQQSSXBPIOSSH-OCCSQVGLSA-N 0 1 308.426 1.279 10 0 DDAEMN COCOc1ccc(OC)cc1CNC[C@H]1CN(C)CCO1 ZINC000119265616 408026381 /nfs/dbraw/zinc/02/63/81/408026381.db2.gz AODWJOSZMQOCDR-HNNXBMFYSA-N 0 1 310.394 1.098 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)C2CCCCCC2)CCO1 ZINC000262963072 407985884 /nfs/dbraw/zinc/98/58/84/407985884.db2.gz QMYAAGJYQGLTSZ-AWEZNQCLSA-N 0 1 312.410 1.201 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000263264226 408081485 /nfs/dbraw/zinc/08/14/85/408081485.db2.gz UOIHAYOOIDOHIB-AWEZNQCLSA-N 0 1 319.430 1.751 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCC[C@H](n2cncn2)C1 ZINC000119531986 408090875 /nfs/dbraw/zinc/09/08/75/408090875.db2.gz YGIDTBOASPDVKI-ZDUSSCGKSA-N 0 1 302.426 1.974 10 0 DDAEMN Cc1cc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(C)o1 ZINC000245900516 408095635 /nfs/dbraw/zinc/09/56/35/408095635.db2.gz NVCJDPCTRCZEOW-MFKMUULPSA-N 0 1 300.424 1.903 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000245740490 408056079 /nfs/dbraw/zinc/05/60/79/408056079.db2.gz LOUBQSOLUKDLEZ-GJZGRUSLSA-N 0 1 314.433 1.964 10 0 DDAEMN CCC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2C)CCN1CCOC ZINC000189902112 408132865 /nfs/dbraw/zinc/13/28/65/408132865.db2.gz GGCCSSCIEIHEEM-BZUAXINKSA-N 0 1 312.454 1.761 10 0 DDAEMN C[C@H](CCN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263487477 408154266 /nfs/dbraw/zinc/15/42/66/408154266.db2.gz HSKXBPTZFRXUEC-WBVHZDCISA-N 0 1 320.433 1.897 10 0 DDAEMN CCOc1cccc(CNC2CC([N@@H+](CC)CC(=O)[O-])C2)n1 ZINC000263505345 408159366 /nfs/dbraw/zinc/15/93/66/408159366.db2.gz LVVWLIJBCZWRIM-UHFFFAOYSA-N 0 1 307.394 1.507 10 0 DDAEMN O=C(CSc1n[n-]c(=S)s1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000176241662 408321921 /nfs/dbraw/zinc/32/19/21/408321921.db2.gz MJGWANCEGLSFHO-QMMMGPOBSA-N 0 1 316.477 1.599 10 0 DDAEMN CCCn1c(C)nnc1CN1CCN(CCOCC)[C@H](C)C1 ZINC000156999804 408283007 /nfs/dbraw/zinc/28/30/07/408283007.db2.gz LENZXULEQUPGKA-CQSZACIVSA-N 0 1 309.458 1.539 10 0 DDAEMN CCC(C)(C)NC(=O)[C@@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173357196 162333621 /nfs/dbraw/zinc/33/36/21/162333621.db2.gz NRTWKFCOOAEKRQ-PWSUYJOCSA-N 0 1 309.414 1.180 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173352627 162334436 /nfs/dbraw/zinc/33/44/36/162334436.db2.gz ARWRLMYXSGRXLF-YPMHNXCESA-N 0 1 309.414 1.181 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCc3ccccn3)CCO2)n[nH]1 ZINC000173526003 162345178 /nfs/dbraw/zinc/34/51/78/162345178.db2.gz XJDFRQHAGZANSY-ZDUSSCGKSA-N 0 1 301.350 1.041 10 0 DDAEMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000174004810 162385184 /nfs/dbraw/zinc/38/51/84/162385184.db2.gz PGDIQIVZPCTSIQ-GXFFZTMASA-N 0 1 314.455 1.044 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000247310432 408448608 /nfs/dbraw/zinc/44/86/08/408448608.db2.gz FRMQVRJMLQTMLC-OLZOCXBDSA-N 0 1 305.426 1.666 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NCc2ccccc2)CCN1C[C@H](C)O ZINC000247375809 408458233 /nfs/dbraw/zinc/45/82/33/408458233.db2.gz VFIUYXGFKRCIIA-DOTOQJQBSA-N 0 1 319.449 1.080 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2ccc(Br)o2)C[C@@H]1C ZINC000191335969 408407815 /nfs/dbraw/zinc/40/78/15/408407815.db2.gz WUCAAFMRXGKLPE-WDEREUQCSA-N 0 1 317.227 1.929 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N[C@H](C)CC)C[C@@H]1CC ZINC000247109168 408409415 /nfs/dbraw/zinc/40/94/15/408409415.db2.gz IWXHASWNLNSWCD-OAGGEKHMSA-N 0 1 313.486 1.722 10 0 DDAEMN CCOC(=O)C1CCC(O)(C[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000191442552 408428210 /nfs/dbraw/zinc/42/82/10/408428210.db2.gz VLIGFBIRGLOKNQ-UHFFFAOYSA-N 0 1 309.410 1.336 10 0 DDAEMN O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)[N-]OCc1ccccc1 ZINC000247400459 408466262 /nfs/dbraw/zinc/46/62/62/408466262.db2.gz LKYMIZIKFONUJF-CVEARBPZSA-N 0 1 304.390 1.878 10 0 DDAEMN O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)[N-]OCc1ccccc1 ZINC000247400459 408466266 /nfs/dbraw/zinc/46/62/66/408466266.db2.gz LKYMIZIKFONUJF-CVEARBPZSA-N 0 1 304.390 1.878 10 0 DDAEMN CC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1C[C@H](C)O ZINC000247441323 408471202 /nfs/dbraw/zinc/47/12/02/408471202.db2.gz ZXTLFBGEYOSJEA-STQMWFEESA-N 0 1 310.394 1.343 10 0 DDAEMN CCN(CC(N)=O)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000191701032 408473040 /nfs/dbraw/zinc/47/30/40/408473040.db2.gz KPLUAQJQNOTNQA-ZDUSSCGKSA-N 0 1 300.786 1.025 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2cccnc2)CCN1C[C@H](C)O ZINC000248433709 408565668 /nfs/dbraw/zinc/56/56/68/408565668.db2.gz DHZSOJLGZSPPHX-HOCLYGCPSA-N 0 1 320.437 1.111 10 0 DDAEMN CCOC(=O)N1CC[C@@H](NC(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000248555141 408584791 /nfs/dbraw/zinc/58/47/91/408584791.db2.gz AXIQYHBXCHEZBZ-KGLIPLIRSA-N 0 1 324.425 1.097 10 0 DDAEMN CN1CCO[C@H](CN[C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000162109490 408671231 /nfs/dbraw/zinc/67/12/31/408671231.db2.gz MRACXZWJEAOADP-UKRRQHHQSA-N 0 1 321.396 1.241 10 0 DDAEMN CCn1cnnc1C1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177713787 408693580 /nfs/dbraw/zinc/69/35/80/408693580.db2.gz IXGPKAVDDVPOBL-HNNXBMFYSA-N 0 1 319.453 1.877 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccncc3C)CCO2)n[nH]1 ZINC000188282169 163047168 /nfs/dbraw/zinc/04/71/68/163047168.db2.gz MSCCWAVBQUQRGE-ZDUSSCGKSA-N 0 1 316.365 1.100 10 0 DDAEMN CCc1ccccc1CC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000188579453 163059469 /nfs/dbraw/zinc/05/94/69/163059469.db2.gz KYTLENCIWOZWCL-HNNXBMFYSA-N 0 1 314.389 1.818 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000190107282 163129048 /nfs/dbraw/zinc/12/90/48/163129048.db2.gz DGKZUJVTWZSOJN-WDEREUQCSA-N 0 1 323.343 1.598 10 0 DDAEMN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000191671045 163197185 /nfs/dbraw/zinc/19/71/85/163197185.db2.gz UQKJRKMTTFFONR-DZGCQCFKSA-N 0 1 318.421 1.587 10 0 DDAEMN Cc1cc(C)nc(N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000195516371 163326397 /nfs/dbraw/zinc/32/63/97/163326397.db2.gz ZTHSZCMRILOOJQ-UHFFFAOYSA-N 0 1 300.410 1.539 10 0 DDAEMN Cc1csc(=O)n1CCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517901 163327153 /nfs/dbraw/zinc/32/71/53/163327153.db2.gz CMAZTYDCDWURLH-CYBMUJFWSA-N 0 1 322.434 1.864 10 0 DDAEMN NC(=O)[C@]1(O)CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000286336983 408966621 /nfs/dbraw/zinc/96/66/21/408966621.db2.gz WTNRGNWFEWVBOA-AWEZNQCLSA-N 0 1 316.760 1.170 10 0 DDAEMN C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](N(C)C)C3)ccc2O1 ZINC000247869148 163579388 /nfs/dbraw/zinc/57/93/88/163579388.db2.gz XGRDPUFAFKKECQ-WCQYABFASA-N 0 1 310.419 1.335 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000171771197 418518152 /nfs/dbraw/zinc/51/81/52/418518152.db2.gz RAXMUSKOEGYLJV-CYBMUJFWSA-N 0 1 310.419 1.472 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1C ZINC000171771197 418518154 /nfs/dbraw/zinc/51/81/54/418518154.db2.gz RAXMUSKOEGYLJV-CYBMUJFWSA-N 0 1 310.419 1.472 10 0 DDAEMN Cc1nc2c(c(N3CCC[C@@](O)(c4c[nH]nn4)C3)n1)CCCC2 ZINC000583616861 422200407 /nfs/dbraw/zinc/20/04/07/422200407.db2.gz ZYDHVEAXUACPAI-INIZCTEOSA-N 0 1 314.393 1.270 10 0 DDAEMN Cc1nc2c(c(N3CCC[C@](O)(c4c[nH]nn4)C3)n1)CCCC2 ZINC000583616862 422201826 /nfs/dbraw/zinc/20/18/26/422201826.db2.gz ZYDHVEAXUACPAI-MRXNPFEDSA-N 0 1 314.393 1.270 10 0 DDAEMN Cn1c2ccccc2nc1CN1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617423 422202568 /nfs/dbraw/zinc/20/25/68/422202568.db2.gz KLYHNTKFNUSPOV-MRXNPFEDSA-N 0 1 312.377 1.175 10 0 DDAEMN CCC(CC)n1ccc(CN2CCC[C@](O)(c3c[nH]nn3)C2)n1 ZINC000583618016 422203024 /nfs/dbraw/zinc/20/30/24/422203024.db2.gz UTTKXNWPWSATRD-MRXNPFEDSA-N 0 1 318.425 1.846 10 0 DDAEMN Cc1cccc2nc(CN3CCC[C@@](O)(c4c[nH]nn4)C3)cn21 ZINC000583617926 422203140 /nfs/dbraw/zinc/20/31/40/422203140.db2.gz KPTIKBPYXJMHFG-INIZCTEOSA-N 0 1 312.377 1.244 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263031722 279344493 /nfs/dbraw/zinc/34/44/93/279344493.db2.gz RZOQAUXEVHNPHO-IVZWLZJFSA-N 0 1 310.316 1.437 10 0 DDAEMN O=C(c1coc(Br)c1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404070486 307297747 /nfs/dbraw/zinc/29/77/47/307297747.db2.gz LGJFSYJQMSCWHV-ZJUUUORDSA-N 0 1 315.167 1.245 10 0 DDAEMN CC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)C1(C)C ZINC000154794557 518208490 /nfs/dbraw/zinc/20/84/90/518208490.db2.gz SYRPXVXKTUUSOL-YNEHKIRRSA-N 0 1 320.393 1.264 10 0 DDAEMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@H](n2cccn2)C1 ZINC000328641940 534666376 /nfs/dbraw/zinc/66/63/76/534666376.db2.gz DNHWCJZHWOSCLN-NSHDSACASA-N 0 1 314.324 1.771 10 0 DDAEMN C[C@H]1COC[C@H](C)N1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000155101343 524736822 /nfs/dbraw/zinc/73/68/22/524736822.db2.gz UZPUTILGGQGEJC-KBPBESRZSA-N 0 1 318.421 1.083 10 0 DDAEMN CC1(C)Cc2cccc(CN3CCC([C@H](O)C(N)=O)CC3)c2O1 ZINC000299740904 527777109 /nfs/dbraw/zinc/77/71/09/527777109.db2.gz CCKCATQVBOQQBI-HNNXBMFYSA-N 0 1 318.417 1.458 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2csc(C)n2)CCN1C[C@@H](C)O ZINC000174590885 697390326 /nfs/dbraw/zinc/39/03/26/697390326.db2.gz JMYCOINAILYZMK-BXUZGUMPSA-N 0 1 311.451 1.298 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2C)C1 ZINC000192739017 697637964 /nfs/dbraw/zinc/63/79/64/697637964.db2.gz PVCLNWPGJSETKJ-NSHDSACASA-N 0 1 324.812 1.582 10 0 DDAEMN O=C(COc1ccc2c(c1)OCO2)N[C@H]1CN2CCC1CC2 ZINC000222536372 697756956 /nfs/dbraw/zinc/75/69/56/697756956.db2.gz KGNJEDMCXFBQIW-ZDUSSCGKSA-N 0 1 304.346 1.005 10 0 DDAEMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262316292 698464437 /nfs/dbraw/zinc/46/44/37/698464437.db2.gz QWCRZGLUJUZILS-LMLFDSFASA-N 0 1 322.327 1.581 10 0 DDAEMN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000701024798 699225661 /nfs/dbraw/zinc/22/56/61/699225661.db2.gz WAWBORGOWKELIR-ONGXEEELSA-N 0 1 318.204 1.535 10 0 DDAEMN O=C(c1cc(Br)c[nH]1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720635484 699306547 /nfs/dbraw/zinc/30/65/47/699306547.db2.gz AGDNPHYARNFMCL-QMMMGPOBSA-N 0 1 311.143 1.268 10 0 DDAEMN CCn1cnnc1[C@H]1CN(C(=O)[C@H]2CCN2C(C)(C)C)CCO1 ZINC000897471607 708343182 /nfs/dbraw/zinc/34/31/82/708343182.db2.gz PITODQOJTFLQPE-CHWSQXEVSA-N 0 1 321.425 1.071 10 0 DDAEMN CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)Cc2ccn[nH]2)C1 ZINC000886034007 708685792 /nfs/dbraw/zinc/68/57/92/708685792.db2.gz BUIQTRIXAJDBPF-DZGCQCFKSA-N 0 1 316.361 1.042 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)ccn1 ZINC000886095279 708697184 /nfs/dbraw/zinc/69/71/84/708697184.db2.gz QFPKEHDXYRPHOL-OAHLLOKOSA-N 0 1 314.389 1.765 10 0 DDAEMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900390293 709570105 /nfs/dbraw/zinc/57/01/05/709570105.db2.gz BIIWCPNMLHJWIK-LDYMZIIASA-N 0 1 303.370 1.017 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2cccc(O)c2)C[C@@H]1C ZINC000248402280 282081571 /nfs/dbraw/zinc/08/15/71/282081571.db2.gz NAIOQAIEDUWLOQ-AGKLADILSA-N 0 1 304.390 1.319 10 0 DDAEMN O=C(Cc1cc(Br)ccc1F)N1CCNCC1 ZINC000083256424 185221508 /nfs/dbraw/zinc/22/15/08/185221508.db2.gz MPUHKUXETUQBIS-UHFFFAOYSA-N 0 1 301.159 1.563 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000081974483 192347518 /nfs/dbraw/zinc/34/75/18/192347518.db2.gz NYOHOWKYZMPPAX-GJZGRUSLSA-N 0 1 313.419 1.689 10 0 DDAEMN N[C@@]1(C(=O)Nc2ccc(Br)c(F)c2)CCOC1 ZINC000088083777 185239247 /nfs/dbraw/zinc/23/92/47/185239247.db2.gz BQEGIXUYJGRKKX-NSHDSACASA-N 0 1 303.131 1.645 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@H](N)c1ccc2ccccc2c1 ZINC000081975560 192347927 /nfs/dbraw/zinc/34/79/27/192347927.db2.gz BXBNOMBEPBYJDP-AWEZNQCLSA-N 0 1 307.371 1.427 10 0 DDAEMN CN[C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974581 192348371 /nfs/dbraw/zinc/34/83/71/192348371.db2.gz SZHYXOQRXFRFIM-DZGCQCFKSA-N 0 1 311.403 1.240 10 0 DDAEMN CN(CCC(F)(F)F)C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000088433430 185249801 /nfs/dbraw/zinc/24/98/01/185249801.db2.gz DASNPWZFUFFVLO-UHFFFAOYSA-N 0 1 311.304 1.083 10 0 DDAEMN NCc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)o1 ZINC000088542485 185256147 /nfs/dbraw/zinc/25/61/47/185256147.db2.gz ZDZHASLYJSSXEC-CYBMUJFWSA-N 0 1 306.387 1.574 10 0 DDAEMN CNCc1ncnn1CCOc1cccc(Br)c1 ZINC000088628673 185260354 /nfs/dbraw/zinc/26/03/54/185260354.db2.gz WWIZRERJEREXOP-UHFFFAOYSA-N 0 1 311.183 1.839 10 0 DDAEMN O=S(=O)(NCCN1CCCC1)c1cnc2ccc(F)cc2c1 ZINC000329219577 231473809 /nfs/dbraw/zinc/47/38/09/231473809.db2.gz SPNRGHOHWKWEDU-UHFFFAOYSA-N 0 1 323.393 1.748 10 0 DDAEMN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248156677 539271628 /nfs/dbraw/zinc/27/16/28/539271628.db2.gz RKTDJGNODDHDBC-RDJZCZTQSA-N 0 1 320.437 1.006 10 0 DDAEMN Cc1cncc(/C=C\C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000254952605 282220176 /nfs/dbraw/zinc/22/01/76/282220176.db2.gz UHGZWQXOJFFWJC-NWRQEBOHSA-N 0 1 303.406 1.317 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090475721 185298333 /nfs/dbraw/zinc/29/83/33/185298333.db2.gz KJGBGYYBUYFNJK-WCFLWFBJSA-N 0 1 300.399 1.101 10 0 DDAEMN COCCNCC(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092495680 185322492 /nfs/dbraw/zinc/32/24/92/185322492.db2.gz PVZGPZAXHXYZRZ-UHFFFAOYSA-N 0 1 308.769 1.700 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1c(N)cccc1F ZINC000092622673 185329659 /nfs/dbraw/zinc/32/96/59/185329659.db2.gz QILUVWIDCOEIDN-LLVKDONJSA-N 0 1 315.414 1.513 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(N)cc(F)c1F ZINC000092621926 185329814 /nfs/dbraw/zinc/32/98/14/185329814.db2.gz KPMBHPCRUPQOON-SNVBAGLBSA-N 0 1 319.377 1.262 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1N ZINC000092622696 185330079 /nfs/dbraw/zinc/33/00/79/185330079.db2.gz GQMWGMVOGLKSFZ-GFCCVEGCSA-N 0 1 315.414 1.513 10 0 DDAEMN O=C(NCCc1cccc(Cl)c1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092781377 185340367 /nfs/dbraw/zinc/34/03/67/185340367.db2.gz CJIRPZBHBGBLTH-ZDUSSCGKSA-N 0 1 304.781 1.436 10 0 DDAEMN CNC(=O)NC(=O)CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181403325 199292023 /nfs/dbraw/zinc/29/20/23/199292023.db2.gz IQHIWSIFILOLND-LBPRGKRZSA-N 0 1 307.394 1.828 10 0 DDAEMN O=C(c1c[nH]nc1[C@H]1CCCCN1)N1CCc2nccnc2C1 ZINC000685941639 539565213 /nfs/dbraw/zinc/56/52/13/539565213.db2.gz FKDBVDADJXPKBC-CYBMUJFWSA-N 0 1 312.377 1.213 10 0 DDAEMN O=C(OCc1ccccc1)N1CCc2c(=O)[nH][nH]c2[C@@H](F)C1 ZINC000725261875 539570475 /nfs/dbraw/zinc/57/04/75/539570475.db2.gz LRLHRTVXSOQLJC-NEPJUHHUSA-N 0 1 305.309 1.469 10 0 DDAEMN COC(=O)c1ccc(F)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000181923518 186219431 /nfs/dbraw/zinc/21/94/31/186219431.db2.gz KDUIWJZCMBJSEN-CHWSQXEVSA-N 0 1 324.396 1.499 10 0 DDAEMN Cc1nnc(SCC(=O)N[C@@H](C)COCc2ccccc2)[nH]1 ZINC000173368551 198207090 /nfs/dbraw/zinc/20/70/90/198207090.db2.gz MQINRFSLUCXJQE-NSHDSACASA-N 0 1 320.418 1.927 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N[C@@H](C)COCc2ccccc2)n1 ZINC000173368551 198207091 /nfs/dbraw/zinc/20/70/91/198207091.db2.gz MQINRFSLUCXJQE-NSHDSACASA-N 0 1 320.418 1.927 10 0 DDAEMN Cc1csc(C(=O)N2CC[C@H]3OCCN[C@@H]3C2)c1Cl ZINC000403980262 354671553 /nfs/dbraw/zinc/67/15/53/354671553.db2.gz ATHMFCZZACTJAY-NXEZZACHSA-N 0 1 300.811 1.913 10 0 DDAEMN O=C(NCCc1nn[nH]n1)C(c1ccccc1)c1ccccc1 ZINC000074803724 191364094 /nfs/dbraw/zinc/36/40/94/191364094.db2.gz FHHYQWHPSOFQEO-UHFFFAOYSA-N 0 1 307.357 1.691 10 0 DDAEMN Cc1cncc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000074834484 191368795 /nfs/dbraw/zinc/36/87/95/191368795.db2.gz ROZKUWAOKYMGEQ-UHFFFAOYSA-N 0 1 305.315 1.625 10 0 DDAEMN Cc1nc(-c2ccccn2)[nH]c(=O)c1I ZINC000085448235 192505683 /nfs/dbraw/zinc/50/56/83/192505683.db2.gz SGXUFEGXHGSWGI-UHFFFAOYSA-N 0 1 313.098 1.745 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cnc4cc(C)ccn34)CCO2)n[nH]1 ZINC000180109690 199118328 /nfs/dbraw/zinc/11/83/28/199118328.db2.gz ZLFSHAWXIBKKLK-CQSZACIVSA-N 0 1 312.377 1.643 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3nccs3)CC2)CCO1 ZINC000194116336 201181469 /nfs/dbraw/zinc/18/14/69/201181469.db2.gz KYOWHCZFYQJXFG-LLVKDONJSA-N 0 1 310.423 1.860 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C(=O)c3ccccc3)CCO2)n[nH]1 ZINC000194361413 201210841 /nfs/dbraw/zinc/21/08/41/201210841.db2.gz ZZWCUIFEGMOOPD-LBPRGKRZSA-N 0 1 314.345 1.150 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091491929 193064217 /nfs/dbraw/zinc/06/42/17/193064217.db2.gz TVAHUXNBGPDTQU-UHFFFAOYSA-N 0 1 311.495 1.878 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2c[nH]c3cc(N)ccc32)C1 ZINC000091500533 193065505 /nfs/dbraw/zinc/06/55/05/193065505.db2.gz KCJDJLKHKXBGSI-LLVKDONJSA-N 0 1 308.407 1.075 10 0 DDAEMN COc1c(CN2CCC[C@@H](Cn3ccnn3)C2)c(C)nn1C ZINC000092070451 193152509 /nfs/dbraw/zinc/15/25/09/193152509.db2.gz PDSLPYKVMZXQKQ-CYBMUJFWSA-N 0 1 304.398 1.241 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CC[NH+](CC(C)(C)C(=O)[O-])CC1 ZINC000093717184 193297458 /nfs/dbraw/zinc/29/74/58/193297458.db2.gz IBBIDKWSYHJFPD-NSHDSACASA-N 0 1 301.456 1.170 10 0 DDAEMN CCc1nc([C@H]2CN(CC)CCO2)[nH]c(=O)c1Br ZINC000093897509 193324515 /nfs/dbraw/zinc/32/45/15/193324515.db2.gz XZISRUISQCXQLC-SECBINFHSA-N 0 1 316.199 1.488 10 0 DDAEMN C[N@H+]1CCCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000094337921 193361941 /nfs/dbraw/zinc/36/19/41/193361941.db2.gz KXKPKKZIVYOEDK-UHFFFAOYSA-N 0 1 303.284 1.941 10 0 DDAEMN C[C@@H]1CN(CC(=O)[N-]C(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342232 193362348 /nfs/dbraw/zinc/36/23/48/193362348.db2.gz GEURYOZUGLPQCP-MFKMUULPSA-N 0 1 309.797 1.266 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000094360985 193365811 /nfs/dbraw/zinc/36/58/11/193365811.db2.gz ULGVVLIHJKDUFI-GFCCVEGCSA-N 0 1 315.414 1.431 10 0 DDAEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1(C(N)=S)CCCC1 ZINC000094447284 193372014 /nfs/dbraw/zinc/37/20/14/193372014.db2.gz OBDNYNOIAUMUBP-CHWSQXEVSA-N 0 1 309.479 1.918 10 0 DDAEMN Cc1ccsc1CNC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000094881378 193404533 /nfs/dbraw/zinc/40/45/33/193404533.db2.gz NQLHCCDZUCRDCQ-UHFFFAOYSA-N 0 1 311.407 1.358 10 0 DDAEMN COCc1nc([C@@]2(C)CCCO2)[nH]c(=O)c1Br ZINC000094781468 193397750 /nfs/dbraw/zinc/39/77/50/193397750.db2.gz CZYWIVVHVVTZAK-LLVKDONJSA-N 0 1 303.156 1.704 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3cccnc3)CCO2)n[nH]1 ZINC000130034496 248283814 /nfs/dbraw/zinc/28/38/14/248283814.db2.gz RQMNIAXVOWNGLK-NSHDSACASA-N 0 1 302.338 1.368 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc([C@@H](C)O)cc1 ZINC000041684819 183217125 /nfs/dbraw/zinc/21/71/25/183217125.db2.gz QKZMZXJIKDPBAE-CYBMUJFWSA-N 0 1 314.451 1.702 10 0 DDAEMN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CNCCO1 ZINC000043800959 183386399 /nfs/dbraw/zinc/38/63/99/183386399.db2.gz LBSBSIDDSZBOOW-JTQLQIEISA-N 0 1 312.391 1.469 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCC(C)CC2)CCN1CCOC ZINC000105836208 194141148 /nfs/dbraw/zinc/14/11/48/194141148.db2.gz FCLQGSBBZOPKPX-INIZCTEOSA-N 0 1 311.470 1.288 10 0 DDAEMN CC[C@@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1CCOC ZINC000105835788 194142450 /nfs/dbraw/zinc/14/24/50/194142450.db2.gz YTKZWTQRDBQBQU-CYBMUJFWSA-N 0 1 310.394 1.609 10 0 DDAEMN CC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1CCOC ZINC000105835790 194142474 /nfs/dbraw/zinc/14/24/74/194142474.db2.gz YTKZWTQRDBQBQU-ZDUSSCGKSA-N 0 1 310.394 1.609 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C)n2C2CC2)C[C@@H]1C ZINC000105835596 194143079 /nfs/dbraw/zinc/14/30/79/194143079.db2.gz DETOAJXLBWCGJH-ZDUSSCGKSA-N 0 1 307.442 1.464 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NC(C)(C)C)C2)n1 ZINC000105884713 194157488 /nfs/dbraw/zinc/15/74/88/194157488.db2.gz RRMIQHLZKJHPCC-CQSZACIVSA-N 0 1 307.442 1.522 10 0 DDAEMN COCCN1CCN(Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000106108238 194185551 /nfs/dbraw/zinc/18/55/51/194185551.db2.gz RCAXNNSALCUTKR-CQSZACIVSA-N 0 1 306.406 1.626 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000048983210 183700580 /nfs/dbraw/zinc/70/05/80/183700580.db2.gz INUFBRLJFAFUQN-HTQZYQBOSA-N 0 1 301.749 1.974 10 0 DDAEMN COC[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)CC(C)(C)O1 ZINC000285249737 218350290 /nfs/dbraw/zinc/35/02/90/218350290.db2.gz YYPIERWEPWKKCO-NSHDSACASA-N 0 1 303.362 1.829 10 0 DDAEMN NC(=S)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000109442846 194264010 /nfs/dbraw/zinc/26/40/10/194264010.db2.gz YSFYSQRZFNLRCU-UHFFFAOYSA-N 0 1 304.341 1.509 10 0 DDAEMN CCN[C@@](CSc1cnccn1)(C(N)=O)c1ccccc1 ZINC000110914690 194368781 /nfs/dbraw/zinc/36/87/81/194368781.db2.gz FHMIVXMBDHPFHP-OAHLLOKOSA-N 0 1 302.403 1.559 10 0 DDAEMN Cn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c(N)n1 ZINC000061098848 184161895 /nfs/dbraw/zinc/16/18/95/184161895.db2.gz XSDMIXLEWOZIFO-UHFFFAOYSA-N 0 1 306.269 1.220 10 0 DDAEMN Cc1ccc(/C=C/C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)s1 ZINC000061145027 184163311 /nfs/dbraw/zinc/16/33/11/184163311.db2.gz QDORYHKXBVBRKR-AATRIKPKSA-N 0 1 308.403 1.689 10 0 DDAEMN CCCN1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)CC1 ZINC000061615890 184178629 /nfs/dbraw/zinc/17/86/29/184178629.db2.gz WUAGGKDUHKXERN-AWEZNQCLSA-N 0 1 305.447 1.611 10 0 DDAEMN C[C@@H](O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655574 184181409 /nfs/dbraw/zinc/18/14/09/184181409.db2.gz FQXFVNHMJZXOAD-TZMCWYRMSA-N 0 1 312.435 1.455 10 0 DDAEMN CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000062133671 184208612 /nfs/dbraw/zinc/20/86/12/184208612.db2.gz MNCWYRPAULUEEU-FZMZJTMJSA-N 0 1 310.419 1.968 10 0 DDAEMN CCN(CC(F)(F)F)c1c(CNCCOC)c(C)nn1C ZINC000062737856 184252243 /nfs/dbraw/zinc/25/22/43/184252243.db2.gz JJZLCTTYKMXBHS-UHFFFAOYSA-N 0 1 308.348 1.853 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)NOCCN1CCCC1 ZINC000062578389 184244280 /nfs/dbraw/zinc/24/42/80/184244280.db2.gz IKJZWZXEUAYVNR-UHFFFAOYSA-N 0 1 314.407 1.309 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cc(N)ccc2Cl)C1 ZINC000062965266 184263151 /nfs/dbraw/zinc/26/31/51/184263151.db2.gz SADUYINMTVDKNT-JTQLQIEISA-N 0 1 303.815 1.247 10 0 DDAEMN CNc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000062984646 184265039 /nfs/dbraw/zinc/26/50/39/184265039.db2.gz KUHLMQMAXNFJRY-AWEZNQCLSA-N 0 1 309.435 1.587 10 0 DDAEMN O=C(N[C@H]1CCc2ncnn2C1)c1cc(F)cc2nc[nH]c21 ZINC000112650716 194496544 /nfs/dbraw/zinc/49/65/44/194496544.db2.gz ITMHBKMYQNULBT-VIFPVBQESA-N 0 1 300.297 1.038 10 0 DDAEMN CCc1nc(CN2CCCN(c3ccc(C)nn3)CC2)n[nH]1 ZINC000158324487 197262243 /nfs/dbraw/zinc/26/22/43/197262243.db2.gz DOBZIWPWLQUYLA-UHFFFAOYSA-N 0 1 301.398 1.178 10 0 DDAEMN Cc1ccc(CN2C[C@@H]3C[C@@H](C(=O)NCC4CC4)N(C)[C@@H]3C2)o1 ZINC000248005979 257111755 /nfs/dbraw/zinc/11/17/55/257111755.db2.gz CAGFHMDAUSQFND-BHYGNILZSA-N 0 1 317.433 1.619 10 0 DDAEMN CN(C)CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000247985238 257112503 /nfs/dbraw/zinc/11/25/03/257112503.db2.gz KJCZYSURIOBNCG-RHSMWYFYSA-N 0 1 319.405 1.172 10 0 DDAEMN CCc1ccc(CN2CC[C@H]3CN(C(C)=O)CCO[C@H]3C2)o1 ZINC000247932534 257114477 /nfs/dbraw/zinc/11/44/77/257114477.db2.gz KHQOHJKTMRBRLI-YOEHRIQHSA-N 0 1 306.406 1.911 10 0 DDAEMN COCCN1CC[C@@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000247894671 257114890 /nfs/dbraw/zinc/11/48/90/257114890.db2.gz UMTIBVKARGHIRL-YUELXQCFSA-N 0 1 305.378 1.146 10 0 DDAEMN CCOCCN1CCN(CC(=O)OC(C)(C)C)C[C@H]1CC ZINC000105914811 286088713 /nfs/dbraw/zinc/08/87/13/286088713.db2.gz ILPOHQLRSPKGDH-CQSZACIVSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@@H]1CC ZINC000253273178 286086101 /nfs/dbraw/zinc/08/61/01/286086101.db2.gz DGYXDQGLHYTHCT-HRCADAONSA-N 0 1 312.454 1.761 10 0 DDAEMN OCCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186086470 407571318 /nfs/dbraw/zinc/57/13/18/407571318.db2.gz ZGLYYXDBFIERGJ-CYBMUJFWSA-N 0 1 308.179 1.910 10 0 DDAEMN O=C([O-])c1cccc2ncnc(NCCC[NH+]3CCOCC3)c21 ZINC000002548184 406690742 /nfs/dbraw/zinc/69/07/42/406690742.db2.gz GDOFKAWUHFJRHU-UHFFFAOYSA-N 0 1 316.361 1.462 10 0 DDAEMN CCOC(=O)c1sc2[n-]c(C[NH2+]C(C)C)nc(=O)c2c1C ZINC000036154480 406977542 /nfs/dbraw/zinc/97/75/42/406977542.db2.gz YVBDANKCLQYCFS-UHFFFAOYSA-N 0 1 309.391 1.968 10 0 DDAEMN O[C@H](COCc1ccccc1)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000084963896 407096584 /nfs/dbraw/zinc/09/65/84/407096584.db2.gz CRENCMFDPSYBNX-UONOGXRCSA-N 0 1 319.323 1.563 10 0 DDAEMN O=C(CN1CCC[C@H](Cn2cncn2)C1)NCC1CCCCC1 ZINC000105883119 407356703 /nfs/dbraw/zinc/35/67/03/407356703.db2.gz AOOJEMMNHPHJJZ-INIZCTEOSA-N 0 1 319.453 1.687 10 0 DDAEMN Cc1cc(NC(=O)N2CCN3CCCC[C@H]3C2)ccc1C(N)=O ZINC000111760750 407415826 /nfs/dbraw/zinc/41/58/26/407415826.db2.gz HZOAYVVQUGZGAP-AWEZNQCLSA-N 0 1 316.405 1.796 10 0 DDAEMN COc1ccccc1NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000112883564 407443159 /nfs/dbraw/zinc/44/31/59/407443159.db2.gz MKIOXASQFXYWNQ-CQSZACIVSA-N 0 1 303.406 1.804 10 0 DDAEMN COc1c(CNCCN(C)C(=O)OC(C)(C)C)c(C)nn1C ZINC000227760333 407639336 /nfs/dbraw/zinc/63/93/36/407639336.db2.gz IFXMXXQELKJEQI-UHFFFAOYSA-N 0 1 312.414 1.694 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000262004013 407709222 /nfs/dbraw/zinc/70/92/22/407709222.db2.gz BIMNKSOVHNZLSS-GFCCVEGCSA-N 0 1 305.378 1.143 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)[NH+](C)C ZINC000179514132 407799017 /nfs/dbraw/zinc/79/90/17/407799017.db2.gz QKQXWUSGSFFJSF-LBPRGKRZSA-N 0 1 304.350 1.699 10 0 DDAEMN CC[C@H]1CN(C(=O)CCn2cc(C)cn2)CCN1CCOC ZINC000117309482 407831907 /nfs/dbraw/zinc/83/19/07/407831907.db2.gz LUGQUUKHNWESQG-HNNXBMFYSA-N 0 1 308.426 1.151 10 0 DDAEMN CCOCCOc1c(Cl)cccc1NC(=O)[C@@H](N)COC ZINC000262516882 407852935 /nfs/dbraw/zinc/85/29/35/407852935.db2.gz KGCZQEZPNZXNRY-NSHDSACASA-N 0 1 316.785 1.668 10 0 DDAEMN CCOCCOc1c(Cl)cccc1NC(=O)[C@H](N)COC ZINC000262516879 407853063 /nfs/dbraw/zinc/85/30/63/407853063.db2.gz KGCZQEZPNZXNRY-LLVKDONJSA-N 0 1 316.785 1.668 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC000262511241 407854641 /nfs/dbraw/zinc/85/46/41/407854641.db2.gz JQWAXMVAMYJZMV-SNVBAGLBSA-N 0 1 324.381 1.623 10 0 DDAEMN COCc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000180109196 407855332 /nfs/dbraw/zinc/85/53/32/407855332.db2.gz WZLJRTZGYDWYKU-HNNXBMFYSA-N 0 1 302.378 1.833 10 0 DDAEMN Cn1c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nnc1C1CC1 ZINC000262562498 407868746 /nfs/dbraw/zinc/86/87/46/407868746.db2.gz WVBDEDVHFPSXDC-AVGNSLFASA-N 0 1 304.394 1.910 10 0 DDAEMN Cc1cnn(CCNS(=O)(=O)c2c(F)cccc2F)c1 ZINC000117927446 407872257 /nfs/dbraw/zinc/87/22/57/407872257.db2.gz WDFSBDVGQQUJFZ-UHFFFAOYSA-N 0 1 301.318 1.448 10 0 DDAEMN COc1c(C)cnc(CN2CC[C@@H](N3CCOCC3)C2)c1C ZINC000173940719 407904438 /nfs/dbraw/zinc/90/44/38/407904438.db2.gz VUKDQKCNOKNSBM-OAHLLOKOSA-N 0 1 305.422 1.614 10 0 DDAEMN Cc1nn(C)c2ncc(CN3CC[C@@H](N4CCOCC4)C3)cc12 ZINC000173944293 407905217 /nfs/dbraw/zinc/90/52/17/407905217.db2.gz QPDPNHPPFNBOHD-OAHLLOKOSA-N 0 1 315.421 1.183 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccn(C(C)C)n2)C1 ZINC000262721318 407909203 /nfs/dbraw/zinc/90/92/03/407909203.db2.gz PXTAIKFKOAEYRI-UHFFFAOYSA-N 0 1 308.382 1.131 10 0 DDAEMN CC[C@@H]1CN(c2nccnc2OC(C)C)CCN1CCOC ZINC000180029096 407847109 /nfs/dbraw/zinc/84/71/09/407847109.db2.gz CTUZXZMJNYDZTO-CQSZACIVSA-N 0 1 308.426 1.811 10 0 DDAEMN Cc1c[nH]cc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262859597 407958089 /nfs/dbraw/zinc/95/80/89/407958089.db2.gz YVMQXIMQPDVGMJ-UHFFFAOYSA-N 0 1 305.378 1.381 10 0 DDAEMN CC(C)CC(C)(C)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262935638 407977678 /nfs/dbraw/zinc/97/76/78/407977678.db2.gz TXVFFXXGKDPGLP-ZDUSSCGKSA-N 0 1 314.426 1.303 10 0 DDAEMN Cc1cccc(CCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174319767 407931439 /nfs/dbraw/zinc/93/14/39/407931439.db2.gz WRZMLLOKGALSGF-JKSUJKDBSA-N 0 1 304.434 1.841 10 0 DDAEMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1c(F)cc(F)cc1F ZINC000262807424 407939710 /nfs/dbraw/zinc/93/97/10/407939710.db2.gz XFKSYWDRIVFODA-JGVFFNPUSA-N 0 1 308.325 1.475 10 0 DDAEMN CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262972755 407988756 /nfs/dbraw/zinc/98/87/56/407988756.db2.gz LZMOEXZFWWHBAC-IVZWLZJFSA-N 0 1 310.316 1.342 10 0 DDAEMN CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262972755 407988758 /nfs/dbraw/zinc/98/87/58/407988758.db2.gz LZMOEXZFWWHBAC-IVZWLZJFSA-N 0 1 310.316 1.342 10 0 DDAEMN CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847385 408079675 /nfs/dbraw/zinc/07/96/75/408079675.db2.gz JZFQNLURJZGMMN-IRXDYDNUSA-N 0 1 301.434 1.986 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(F)ccc3O)CCO2)n[nH]1 ZINC000175258144 408089595 /nfs/dbraw/zinc/08/95/95/408089595.db2.gz KEQVFFPLRDGHGC-GFCCVEGCSA-N 0 1 320.324 1.426 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(F)ccc3O)CCO2)n[nH]1 ZINC000175257987 408091105 /nfs/dbraw/zinc/09/11/05/408091105.db2.gz AMAQVMFTSXGZDG-LBPRGKRZSA-N 0 1 306.297 1.172 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NC(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000175345077 408109945 /nfs/dbraw/zinc/10/99/45/408109945.db2.gz MOCSHZGNOWJMBC-GFCCVEGCSA-N 0 1 305.382 1.385 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnc(N(C)C)s2)C1 ZINC000263486628 408153912 /nfs/dbraw/zinc/15/39/12/408153912.db2.gz HNTDZFFGLILNHH-UHFFFAOYSA-N 0 1 312.439 1.236 10 0 DDAEMN CCC[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(=O)[O-] ZINC000263572212 408177997 /nfs/dbraw/zinc/17/79/97/408177997.db2.gz KPZJBKGJXTYEBN-CABCVRRESA-N 0 1 321.421 1.248 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccccc2F)C1 ZINC000246478551 408266123 /nfs/dbraw/zinc/26/61/23/408266123.db2.gz WONBBFRFHORZEB-DGCLKSJQSA-N 0 1 300.399 1.833 10 0 DDAEMN COc1ccsc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000122266797 408273358 /nfs/dbraw/zinc/27/33/58/408273358.db2.gz GMAYLZLYTIUGMU-QWRGUYRKSA-N 0 1 318.464 1.764 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@@H]2CCOC2)C[C@H]1CC ZINC000176092626 408284611 /nfs/dbraw/zinc/28/46/11/408284611.db2.gz VYRQARUKIUODKZ-HZPDHXFCSA-N 0 1 312.454 1.762 10 0 DDAEMN CCOCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190604066 408287527 /nfs/dbraw/zinc/28/75/27/408287527.db2.gz PGDBYYZVLSVFCI-INIZCTEOSA-N 0 1 305.422 1.789 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3scnc3CC)CCO2)n[nH]1 ZINC000151278477 408288829 /nfs/dbraw/zinc/28/88/29/408288829.db2.gz OOILLZNZNIUZBW-SNVBAGLBSA-N 0 1 321.406 1.600 10 0 DDAEMN O=C(N[C@@H]1CCCn2ncnc21)c1cc(F)cc2nc[nH]c21 ZINC000176133784 408292385 /nfs/dbraw/zinc/29/23/85/408292385.db2.gz BDNIHHSCSXMNKK-SNVBAGLBSA-N 0 1 300.297 1.558 10 0 DDAEMN C[C@@H](CNCc1nccn1-c1ccccc1)N1CCOCC1 ZINC000190728345 408311449 /nfs/dbraw/zinc/31/14/49/408311449.db2.gz PZPFQENXPZATBU-HNNXBMFYSA-N 0 1 300.406 1.683 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCc2ccccc2)C[C@H]1C ZINC000246668524 408312616 /nfs/dbraw/zinc/31/26/16/408312616.db2.gz HUFQTUITMMQNBL-CVEARBPZSA-N 0 1 304.434 1.923 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccsc2)CCN1C[C@H](C)O ZINC000246880241 408359715 /nfs/dbraw/zinc/35/97/15/408359715.db2.gz OLWPHZXQZONCNO-DZGCQCFKSA-N 0 1 310.463 1.984 10 0 DDAEMN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](N)c3ccccc3)CCO2)c1 ZINC000168239168 162178870 /nfs/dbraw/zinc/17/88/70/162178870.db2.gz NJHGGKGWPXBSFD-HOTGVXAUSA-N 0 1 314.389 1.119 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)CCN1C[C@H](C)O ZINC000246848545 408354249 /nfs/dbraw/zinc/35/42/49/408354249.db2.gz MVMBFHSXUFLDHN-SLEUVZQESA-N 0 1 323.437 1.699 10 0 DDAEMN CCN(CC)C(=O)CCCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171566102 162226611 /nfs/dbraw/zinc/22/66/11/162226611.db2.gz FKBCIRUGPZDCSN-OAHLLOKOSA-N 0 1 309.454 1.722 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173354624 162334153 /nfs/dbraw/zinc/33/41/53/162334153.db2.gz CXNAICWGHSQHDW-MFKMUULPSA-N 0 1 309.414 1.180 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CSc3ccncc3)CCO2)n[nH]1 ZINC000173537794 162347699 /nfs/dbraw/zinc/34/76/99/162347699.db2.gz XPIYQARMAOZGMR-LBPRGKRZSA-N 0 1 319.390 1.200 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CSC(C)(C)C)CCO2)n[nH]1 ZINC000173558925 162349375 /nfs/dbraw/zinc/34/93/75/162349375.db2.gz DNFFDGQHDGZGHZ-JTQLQIEISA-N 0 1 312.439 1.799 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)N(CC(C)C)C3CC3)CCO2)n[nH]1 ZINC000173679642 162356387 /nfs/dbraw/zinc/35/63/87/162356387.db2.gz SMWWENGMMPJNLM-AWEZNQCLSA-N 0 1 321.425 1.133 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(Cl)ccc3O)CCO2)n[nH]1 ZINC000173756041 162362854 /nfs/dbraw/zinc/36/28/54/162362854.db2.gz KJMUKOREXZHMNL-LBPRGKRZSA-N 0 1 322.752 1.686 10 0 DDAEMN COCCCOC1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000176504974 408382605 /nfs/dbraw/zinc/38/26/05/408382605.db2.gz FZTOLFOUCMELMQ-KRWDZBQOSA-N 0 1 320.433 1.423 10 0 DDAEMN Cc1c([C@H](C)NCC(=O)N2CCOCC2)cnn1C(C)(C)C ZINC000191414730 408422392 /nfs/dbraw/zinc/42/23/92/408422392.db2.gz FVILNWHZVKDJSU-LBPRGKRZSA-N 0 1 308.426 1.456 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@]1(O)CCSC1 ZINC000176727654 408424764 /nfs/dbraw/zinc/42/47/64/408424764.db2.gz BXAZNHXMOHOWQJ-GOEBONIOSA-N 0 1 308.447 1.144 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000247227405 408433295 /nfs/dbraw/zinc/43/32/95/408433295.db2.gz RATZRSRXSWKZTM-HOTGVXAUSA-N 0 1 313.486 1.724 10 0 DDAEMN O[C@H](Cc1ccccc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247401197 408463784 /nfs/dbraw/zinc/46/37/84/408463784.db2.gz YMFRODUIIFHVHV-IAGOWNOFSA-N 0 1 301.390 1.188 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1C ZINC000248384046 408554576 /nfs/dbraw/zinc/55/45/76/408554576.db2.gz CJCCLQVRPUDNIA-CQSZACIVSA-N 0 1 321.469 1.625 10 0 DDAEMN COC(=O)c1ccc(F)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000248399753 408557767 /nfs/dbraw/zinc/55/77/67/408557767.db2.gz KDUIWJZCMBJSEN-OLZOCXBDSA-N 0 1 324.396 1.499 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccncc3F)CCO2)n[nH]1 ZINC000184208215 408570583 /nfs/dbraw/zinc/57/05/83/408570583.db2.gz YOULQIDQPOARLV-NSHDSACASA-N 0 1 306.301 1.253 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275372561 408584372 /nfs/dbraw/zinc/58/43/72/408584372.db2.gz LAHANZCGZHMJDZ-LSDHHAIUSA-N 0 1 315.377 1.833 10 0 DDAEMN O[C@@H](CCc1ccccc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000248574807 408588974 /nfs/dbraw/zinc/58/89/74/408588974.db2.gz NBNLSXBQYHDCKB-ZWKOTPCHSA-N 0 1 315.417 1.578 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCN(c2cccnn2)CC1 ZINC000177501501 408638967 /nfs/dbraw/zinc/63/89/67/408638967.db2.gz QETZJUGUGGPRML-UHFFFAOYSA-N 0 1 321.425 1.513 10 0 DDAEMN Cn1cc(N2CCC[C@H](N3CCN4CCCC[C@@H]4C3)C2=O)cn1 ZINC000177765436 408706970 /nfs/dbraw/zinc/70/69/70/408706970.db2.gz SPVCRYIDSZQRSZ-ZBFHGGJFSA-N 0 1 317.437 1.086 10 0 DDAEMN Cn1cc(-c2cc(CN3CCC[C@@H](n4cncn4)C3)on2)cn1 ZINC000185000054 408733991 /nfs/dbraw/zinc/73/39/91/408733991.db2.gz HKWQQNVZQGHQIP-CYBMUJFWSA-N 0 1 313.365 1.504 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249536649 408739525 /nfs/dbraw/zinc/73/95/25/408739525.db2.gz CPMZKYYQUJVXCM-NWANDNLSSA-N 0 1 310.463 1.917 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3ccsc3)CCO2)n[nH]1 ZINC000177926997 408740397 /nfs/dbraw/zinc/74/03/97/408740397.db2.gz RXZVAPWTMQIHJK-NSHDSACASA-N 0 1 321.406 1.712 10 0 DDAEMN C[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)CCN1 ZINC000189018723 163082030 /nfs/dbraw/zinc/08/20/30/163082030.db2.gz HLUORZQKALRHAM-SECBINFHSA-N 0 1 315.186 1.951 10 0 DDAEMN CCOCCN1CCN(Cc2nccc(OC)c2OC)C[C@@H]1C ZINC000190523791 163144769 /nfs/dbraw/zinc/14/47/69/163144769.db2.gz MYOHZROFUYICBH-AWEZNQCLSA-N 0 1 323.437 1.641 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000262161873 163779172 /nfs/dbraw/zinc/77/91/72/163779172.db2.gz AAJOUHVXKAFJOC-CYBMUJFWSA-N 0 1 313.357 1.596 10 0 DDAEMN CC(=O)NC(C)(C)c1noc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000350574105 409967137 /nfs/dbraw/zinc/96/71/37/409967137.db2.gz CGKOUYZMYCBCSR-ZDUSSCGKSA-N 0 1 322.409 1.757 10 0 DDAEMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000381782204 418729588 /nfs/dbraw/zinc/72/95/88/418729588.db2.gz FLFGTVGFYZCOJO-NXOAAHMSSA-N 0 1 319.401 1.749 10 0 DDAEMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1 ZINC000386815539 418741085 /nfs/dbraw/zinc/74/10/85/418741085.db2.gz SMDYDUNCMSDUPH-HUUCEWRRSA-N 0 1 316.401 1.878 10 0 DDAEMN CCO[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000401908046 418766597 /nfs/dbraw/zinc/76/65/97/418766597.db2.gz SBIZQKZBLJSFLU-SJLPKXTDSA-N 0 1 318.417 1.573 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cccc(O)c2)CCN1CCOC ZINC000492766074 420657641 /nfs/dbraw/zinc/65/76/41/420657641.db2.gz REPPQSDRDDVCAF-XITLMJRVSA-N 0 1 318.417 1.975 10 0 DDAEMN CCc1nnc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)[nH]1 ZINC000583622964 422207086 /nfs/dbraw/zinc/20/70/86/422207086.db2.gz NRZYPTUFUJOIJE-GWCFXTLKSA-N 0 1 318.381 1.434 10 0 DDAEMN CCc1n[nH]c(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000583622964 422207089 /nfs/dbraw/zinc/20/70/89/422207089.db2.gz NRZYPTUFUJOIJE-GWCFXTLKSA-N 0 1 318.381 1.434 10 0 DDAEMN C[C@@H](C(=O)NC1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173992176 278206187 /nfs/dbraw/zinc/20/61/87/278206187.db2.gz VPCYWLAYSSAKPF-HOCLYGCPSA-N 0 1 309.454 1.230 10 0 DDAEMN CCCn1cc(CN2CCO[C@H](c3n[nH]c(CC)n3)C2)cn1 ZINC000129200292 281336184 /nfs/dbraw/zinc/33/61/84/281336184.db2.gz KBCBIHYXTGMFIP-ZDUSSCGKSA-N 0 1 304.398 1.547 10 0 DDAEMN Cn1nc(C(=O)N2CCNCC2)cc1OCc1ccccc1 ZINC000045930146 527542490 /nfs/dbraw/zinc/54/24/90/527542490.db2.gz RALBMIDOAHMSTL-UHFFFAOYSA-N 0 1 300.362 1.045 10 0 DDAEMN Cc1nn[nH]c1C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000193934967 697685878 /nfs/dbraw/zinc/68/58/78/697685878.db2.gz PAIDUJWGAUJJKJ-NSHDSACASA-N 0 1 323.397 1.633 10 0 DDAEMN CCNS(=O)(=O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000221995488 697755924 /nfs/dbraw/zinc/75/59/24/697755924.db2.gz XZVRMKJZKZDIBS-JTQLQIEISA-N 0 1 302.444 1.110 10 0 DDAEMN COCCN1CCN(CN2C(=O)C[C@@H]2c2ccccc2)C[C@H]1C ZINC000246977026 698358268 /nfs/dbraw/zinc/35/82/68/698358268.db2.gz FHUDEBUECGZEIG-NVXWUHKLSA-N 0 1 317.433 1.570 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C/C=C\Cl)CC2)C1 ZINC000255641970 698421746 /nfs/dbraw/zinc/42/17/46/698421746.db2.gz XQKWRYSPJQFGMK-JZIMQPMSSA-N 0 1 301.862 1.466 10 0 DDAEMN C[C@@H](C(=O)[O-])[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C1CC1 ZINC000263141125 698492773 /nfs/dbraw/zinc/49/27/73/698492773.db2.gz OHHCFJDNKJHTMC-NSHDSACASA-N 0 1 319.361 1.662 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)CCc2ccco2)C1 ZINC000263217602 698496779 /nfs/dbraw/zinc/49/67/79/698496779.db2.gz XXNXNIGITWCGMG-UHFFFAOYSA-N 0 1 320.389 1.656 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CC3CCC2CC3)C1 ZINC000263410220 698505780 /nfs/dbraw/zinc/50/57/80/698505780.db2.gz URTNBJKWYGIOJM-ZPWMNFGTSA-N 0 1 323.437 1.802 10 0 DDAEMN C[C@H](NCC1CC(NC(=O)OC(C)(C)C)C1)c1nncn1C ZINC000711476311 699258278 /nfs/dbraw/zinc/25/82/78/699258278.db2.gz OHKZEGISLWQGME-UNXYVOJBSA-N 0 1 309.414 1.769 10 0 DDAEMN NC(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cc2n(n1)CCC2 ZINC000844320953 703013044 /nfs/dbraw/zinc/01/30/44/703013044.db2.gz SBLVAQMPSVKZCQ-AWEZNQCLSA-N 0 1 314.393 1.379 10 0 DDAEMN CO[C@@]1(c2nnc(-c3ccc4cncn4c3C)o2)CCOC1 ZINC000886086092 708695804 /nfs/dbraw/zinc/69/58/04/708695804.db2.gz QJBMEADPYJAJLZ-HNNXBMFYSA-N 0 1 300.318 1.955 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000074731588 185013844 /nfs/dbraw/zinc/01/38/44/185013844.db2.gz LKJTULADDIWVCY-UHFFFAOYSA-N 0 1 314.128 1.551 10 0 DDAEMN CCN(C(=O)c1cccc2[nH]cnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000074732397 185014217 /nfs/dbraw/zinc/01/42/17/185014217.db2.gz JBZLKHHVULBKEJ-SNVBAGLBSA-N 0 1 307.375 1.212 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248607313 282093521 /nfs/dbraw/zinc/09/35/21/282093521.db2.gz KEFREVPAFIZUCA-RFGFWPKPSA-N 0 1 313.442 1.039 10 0 DDAEMN Nc1ccc(C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cc1Cl ZINC000078894374 185124196 /nfs/dbraw/zinc/12/41/96/185124196.db2.gz FEENAHIMNVLCDE-UHFFFAOYSA-N 0 1 311.769 1.155 10 0 DDAEMN CCCN[C@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081944177 192346097 /nfs/dbraw/zinc/34/60/97/192346097.db2.gz WEIOLKSVAPJOQW-OAHLLOKOSA-N 0 1 315.435 1.797 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1c2ccccc2CC[C@H]1C)C(C)C ZINC000183675857 539243105 /nfs/dbraw/zinc/24/31/05/539243105.db2.gz IVUNEVRDSUHJKT-CXAGYDPISA-N 0 1 317.433 1.715 10 0 DDAEMN O=S1(=O)C=C[C@H](N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000088855066 185267317 /nfs/dbraw/zinc/26/73/17/185267317.db2.gz PREUIEVIDAXZOL-CVEARBPZSA-N 0 1 306.431 1.551 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1cccc(CO)c1 ZINC000088873135 185267428 /nfs/dbraw/zinc/26/74/28/185267428.db2.gz XPOQFCBRQQGLFQ-UHFFFAOYSA-N 0 1 314.451 1.387 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCc2sccc2C1 ZINC000088875113 185267649 /nfs/dbraw/zinc/26/76/49/185267649.db2.gz JBRJGPGBFKRADU-UHFFFAOYSA-N 0 1 313.404 1.019 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](NC)c1cc(C)ccc1C ZINC000081977877 192349641 /nfs/dbraw/zinc/34/96/41/192349641.db2.gz UJJOYYSCWJARMY-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN COc1ccccc1N(C)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088895266 185269994 /nfs/dbraw/zinc/26/99/94/185269994.db2.gz BDZDTWORSDNEQX-UHFFFAOYSA-N 0 1 311.363 1.044 10 0 DDAEMN CCC[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]nc2CO)CC1 ZINC000088902439 185270691 /nfs/dbraw/zinc/27/06/91/185270691.db2.gz YMORFZOYLFXDPT-GFCCVEGCSA-N 0 1 315.439 1.801 10 0 DDAEMN C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090426077 185295592 /nfs/dbraw/zinc/29/55/92/185295592.db2.gz WOCYXDVWWRFTRZ-RYUDHWBXSA-N 0 1 301.289 1.819 10 0 DDAEMN CN[C@@H](C[S@@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999608 192353645 /nfs/dbraw/zinc/35/36/45/192353645.db2.gz BQGPQIAFKPZTJX-LHSJRXKWSA-N 0 1 315.435 1.750 10 0 DDAEMN Cc1sc(CO)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092678063 185333525 /nfs/dbraw/zinc/33/35/25/185333525.db2.gz WWBRUOZBHVRTIJ-LLVKDONJSA-N 0 1 318.464 1.264 10 0 DDAEMN CCOC(=O)N1CCNC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616635196 362764477 /nfs/dbraw/zinc/76/44/77/362764477.db2.gz DYCNMOVOZQYIPZ-LLVKDONJSA-N 0 1 301.387 1.332 10 0 DDAEMN Nc1cc(C(=O)NCCc2nc[nH]n2)ccc1Br ZINC000080539490 192166582 /nfs/dbraw/zinc/16/65/82/192166582.db2.gz QANMHVGBLNPRRI-UHFFFAOYSA-N 0 1 310.155 1.122 10 0 DDAEMN CCN(CC)C(=O)Cn1c2ccc(OC)cc2nc1[C@H](C)N ZINC000071667924 191001457 /nfs/dbraw/zinc/00/14/57/191001457.db2.gz KBWARJIVDAEJKT-NSHDSACASA-N 0 1 304.394 1.933 10 0 DDAEMN CC(=O)Nc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)cs1 ZINC000072368192 191138577 /nfs/dbraw/zinc/13/85/77/191138577.db2.gz ZIIPDOLSMXHDFW-NSHDSACASA-N 0 1 310.423 1.369 10 0 DDAEMN COc1cc2[nH]nc(C=O)c2c(I)c1 ZINC000014984211 352152502 /nfs/dbraw/zinc/15/25/02/352152502.db2.gz BWTCXIRYXHBMDK-UHFFFAOYSA-N 0 1 302.071 1.989 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C)CC1 ZINC000174093695 198290158 /nfs/dbraw/zinc/29/01/58/198290158.db2.gz FKUCUWURGWQELJ-IAGOWNOFSA-N 0 1 322.449 1.123 10 0 DDAEMN C[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000309844259 354475644 /nfs/dbraw/zinc/47/56/44/354475644.db2.gz RWCYVWAOXPNELP-DOTOQJQBSA-N 0 1 307.390 1.751 10 0 DDAEMN C[C@@H]1Oc2ccc(S(=O)(=O)Nc3ccccn3)cc2NC1=O ZINC000074936372 191391032 /nfs/dbraw/zinc/39/10/32/191391032.db2.gz WUEOQKUINWNXTR-VIFPVBQESA-N 0 1 319.342 1.602 10 0 DDAEMN CC(C)(C)c1ccc(S(=O)(=O)NCCc2nn[nH]n2)cc1 ZINC000074803848 191363877 /nfs/dbraw/zinc/36/38/77/191363877.db2.gz BUNULUQOMNASIH-UHFFFAOYSA-N 0 1 309.395 1.018 10 0 DDAEMN O=C1COc2ccc(NS(=O)(=O)c3ccccc3)nc2N1 ZINC000075312163 191462116 /nfs/dbraw/zinc/46/21/16/191462116.db2.gz JEFRXGQEVWQADI-UHFFFAOYSA-N 0 1 305.315 1.213 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2c[nH]c(C)n2)n1 ZINC000080868945 192196221 /nfs/dbraw/zinc/19/62/21/192196221.db2.gz KEWFXMCMNGVCAE-ZETCQYMHSA-N 0 1 315.424 1.646 10 0 DDAEMN Cn1cc([C@H]2CC[N@@H+](CC(=O)[N-]OCc3ccccc3)C2)cn1 ZINC000180498664 199166721 /nfs/dbraw/zinc/16/67/21/199166721.db2.gz BWHPHJVGGRWRLF-HNNXBMFYSA-N 0 1 314.389 1.457 10 0 DDAEMN O[C@H](CN1CCC(Nc2cccnn2)CC1)CC(F)(F)F ZINC000189138322 200354683 /nfs/dbraw/zinc/35/46/83/200354683.db2.gz VMOBFEWIHDIXIH-NSHDSACASA-N 0 1 304.316 1.666 10 0 DDAEMN C=Cn1cc(CN2CCCN(Cc3cnn(CC)c3)CC2)cn1 ZINC000193909577 201143468 /nfs/dbraw/zinc/14/34/68/201143468.db2.gz NNQHIRUPOVEXMG-UHFFFAOYSA-N 0 1 314.437 1.908 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000091219102 193022067 /nfs/dbraw/zinc/02/20/67/193022067.db2.gz VCXYTYKOMWSVEZ-MUWHJKNJSA-N 0 1 308.288 1.964 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)NCCC(C)C)CC1 ZINC000091487995 193063372 /nfs/dbraw/zinc/06/33/72/193063372.db2.gz URORVXPFMCSABJ-UHFFFAOYSA-N 0 1 317.524 1.632 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091488573 193063442 /nfs/dbraw/zinc/06/34/42/193063442.db2.gz MLZZKYPBAANQJW-NSHDSACASA-N 0 1 317.524 1.775 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(SC)(C(N)=S)CC1 ZINC000091488296 193063556 /nfs/dbraw/zinc/06/35/56/193063556.db2.gz WCXNKFYXHSHLHN-WDEREUQCSA-N 0 1 317.524 1.773 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000091989366 193138610 /nfs/dbraw/zinc/13/86/10/193138610.db2.gz FKXLIRRISPLHTC-CYBMUJFWSA-N 0 1 312.483 1.521 10 0 DDAEMN CCNCc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(C)o1 ZINC000092113914 193161868 /nfs/dbraw/zinc/16/18/68/193161868.db2.gz DRGJHFSSYBZDRX-GHMZBOCLSA-N 0 1 300.424 1.974 10 0 DDAEMN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(CN)c2F)C[C@@H]1C ZINC000092113636 193161930 /nfs/dbraw/zinc/16/19/30/193161930.db2.gz RJFFPHKEVVFTIH-IUCAKERBSA-N 0 1 304.362 1.700 10 0 DDAEMN CCC[C@]1(C)CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000236854868 284052671 /nfs/dbraw/zinc/05/26/71/284052671.db2.gz ODWMOGYBUZEPIV-TZMCWYRMSA-N 0 1 304.456 1.177 10 0 DDAEMN CCn1cc(CN2CCCN(c3ccc(C)nn3)CC2)cn1 ZINC000093151379 193207791 /nfs/dbraw/zinc/20/77/91/193207791.db2.gz GZZGGZSJUCZENF-UHFFFAOYSA-N 0 1 300.410 1.714 10 0 DDAEMN Cc1n[nH]c(CN)c1S(=O)(=O)N(C)CCc1cccs1 ZINC000093294706 193226287 /nfs/dbraw/zinc/22/62/87/193226287.db2.gz DGCQUHKZCOVUIP-UHFFFAOYSA-N 0 1 314.436 1.102 10 0 DDAEMN CC(C)(CNCc1n[nH]nc1-c1ccccc1)S(C)(=O)=O ZINC000093523254 193262824 /nfs/dbraw/zinc/26/28/24/193262824.db2.gz IKBGJEOZBXVIEJ-UHFFFAOYSA-N 0 1 308.407 1.385 10 0 DDAEMN CC(C)(CNCc1[nH]nnc1-c1ccccc1)S(C)(=O)=O ZINC000093523254 193262826 /nfs/dbraw/zinc/26/28/26/193262826.db2.gz IKBGJEOZBXVIEJ-UHFFFAOYSA-N 0 1 308.407 1.385 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@H](n2cc(Br)cn2)C1 ZINC000093833159 193315245 /nfs/dbraw/zinc/31/52/45/193315245.db2.gz BJQIFCZGXKGJMN-ONGXEEELSA-N 0 1 302.172 1.631 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@H](Sc2nc(N)cc(N)n2)C1 ZINC000094637411 193386711 /nfs/dbraw/zinc/38/67/11/193386711.db2.gz RWIXOTIPMWZMGS-YUMQZZPRSA-N 0 1 302.425 1.089 10 0 DDAEMN O=C([O-])C[C@@H]1C[N@H+]([C@@H]2CCO[C@@]3(CCSC3)C2)CCO1 ZINC000094383017 193367630 /nfs/dbraw/zinc/36/76/30/193367630.db2.gz GXEJRRZBQABTRR-BZPMIXESSA-N 0 1 301.408 1.217 10 0 DDAEMN N[C@H](C(=O)N1CCN(c2nccs2)CC1)c1ccccc1 ZINC000019231307 182109547 /nfs/dbraw/zinc/10/95/47/182109547.db2.gz VQBDUUPVTYBUOK-ZDUSSCGKSA-N 0 1 302.403 1.492 10 0 DDAEMN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035018988 182747475 /nfs/dbraw/zinc/74/74/75/182747475.db2.gz YJKXBNYVSIKXDL-NEPJUHHUSA-N 0 1 312.435 1.655 10 0 DDAEMN CC(=O)N1CCc2ccc(NS(=O)(=O)c3cccnc3)cc21 ZINC000038709488 183007049 /nfs/dbraw/zinc/00/70/49/183007049.db2.gz AYKYSTCZVSBSBK-UHFFFAOYSA-N 0 1 317.370 1.791 10 0 DDAEMN COC(=O)[C@H](C)S(=O)(=O)Nc1cccc(Br)c1 ZINC000042537352 183281730 /nfs/dbraw/zinc/28/17/30/183281730.db2.gz TZGGOXYUZNODIY-ZETCQYMHSA-N 0 1 322.180 1.752 10 0 DDAEMN CC(C)CN(CCN(C)C)c1ccc(S(C)(=O)=O)cc1N ZINC000042740772 183303692 /nfs/dbraw/zinc/30/36/92/183303692.db2.gz STJJKXQLVGSAIJ-UHFFFAOYSA-N 0 1 313.467 1.696 10 0 DDAEMN C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccnc(NN)c1 ZINC000042782267 183308391 /nfs/dbraw/zinc/30/83/91/183308391.db2.gz NKZOZNUIJIQTDK-VIFPVBQESA-N 0 1 324.431 1.737 10 0 DDAEMN O=C(Nc1ccc(F)cc1Br)[C@@H]1CNCCO1 ZINC000043707873 183382674 /nfs/dbraw/zinc/38/26/74/183382674.db2.gz NUCSCCJLODJRSC-JTQLQIEISA-N 0 1 303.131 1.515 10 0 DDAEMN O=C(N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CNCCO1 ZINC000043708922 183382867 /nfs/dbraw/zinc/38/28/67/183382867.db2.gz IVUNGSOURMBFJS-DZGCQCFKSA-N 0 1 302.399 1.942 10 0 DDAEMN O=C(Nc1c(F)cc(F)cc1Br)[C@@H]1CNCCO1 ZINC000043707929 183382917 /nfs/dbraw/zinc/38/29/17/183382917.db2.gz AUIXUGTUVLJBAG-VIFPVBQESA-N 0 1 321.121 1.654 10 0 DDAEMN CNC(=O)c1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000104984320 194062172 /nfs/dbraw/zinc/06/21/72/194062172.db2.gz UGTCYAHHPCTBFY-HNNXBMFYSA-N 0 1 316.405 1.748 10 0 DDAEMN O=C(N[C@H]1COc2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000105205715 194085309 /nfs/dbraw/zinc/08/53/09/194085309.db2.gz MZDZBYAREUZMBY-HIFRSBDPSA-N 0 1 301.390 2.000 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N[C@H](C)CN2CCN(C)CC2)o1 ZINC000106520380 194223644 /nfs/dbraw/zinc/22/36/44/194223644.db2.gz AKXNUMVYKFBKRB-OCCSQVGLSA-N 0 1 308.426 1.584 10 0 DDAEMN Cc1cccnc1C(=O)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000109466049 194266519 /nfs/dbraw/zinc/26/65/19/194266519.db2.gz ZSHZWUPDCWHVHF-UHFFFAOYSA-N 0 1 306.435 1.213 10 0 DDAEMN CCN1CCN(C(=O)Cc2ccc(C(N)=S)cc2)C[C@H]1C ZINC000110753090 194356454 /nfs/dbraw/zinc/35/64/54/194356454.db2.gz HLRDUQMHYRJBQJ-GFCCVEGCSA-N 0 1 305.447 1.416 10 0 DDAEMN CN(CC(=O)[N-]C(=O)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931915 194371477 /nfs/dbraw/zinc/37/14/77/194371477.db2.gz UJJVASFDFSWMHQ-ZDUSSCGKSA-N 0 1 309.797 1.280 10 0 DDAEMN CCN1C(=O)C[C@H](NCc2ccccc2C(F)(F)F)C1=O ZINC000061626494 184179345 /nfs/dbraw/zinc/17/93/45/184179345.db2.gz YQQBRLRMSDSTQT-NSHDSACASA-N 0 1 300.280 1.942 10 0 DDAEMN COc1ccc(CNC(=O)c2cnc(NN)c(Cl)c2)cn1 ZINC000062070834 184204475 /nfs/dbraw/zinc/20/44/75/184204475.db2.gz ZJYIRJSBMDZDOZ-UHFFFAOYSA-N 0 1 307.741 1.354 10 0 DDAEMN Nc1ccc(NC(=O)CCN2CCNC(=O)CC2)c(Cl)c1 ZINC000062099664 184205859 /nfs/dbraw/zinc/20/58/59/184205859.db2.gz TWUUNYLZORKIJS-UHFFFAOYSA-N 0 1 310.785 1.073 10 0 DDAEMN Nc1cc(F)ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062975733 184264354 /nfs/dbraw/zinc/26/43/54/184264354.db2.gz KAKCXISHVWVAEP-LBPRGKRZSA-N 0 1 313.398 1.267 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1c(N)cccc1Cl ZINC000063051396 184268873 /nfs/dbraw/zinc/26/88/73/184268873.db2.gz POJXKINNJNLQOJ-UHFFFAOYSA-N 0 1 317.842 1.639 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cccn2C(C)C)CCN1C[C@@H](C)O ZINC000119665685 195013854 /nfs/dbraw/zinc/01/38/54/195013854.db2.gz FINJUZFQSVXZLM-HUUCEWRRSA-N 0 1 307.438 1.986 10 0 DDAEMN Cn1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2cccnc2)cn1 ZINC000248134923 257108414 /nfs/dbraw/zinc/10/84/14/257108414.db2.gz OEURLIIFRUSMGW-HZPDHXFCSA-N 0 1 311.389 1.585 10 0 DDAEMN CN1[C@H]2CN(Cc3ccncc3)C[C@H]2C[C@H]1C(=O)NCC1CC1 ZINC000248000566 257112237 /nfs/dbraw/zinc/11/22/37/257112237.db2.gz AKJUTMYSENMYEK-IKGGRYGDSA-N 0 1 314.433 1.112 10 0 DDAEMN COc1ccc(CN2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)cc1 ZINC000247882324 257115322 /nfs/dbraw/zinc/11/53/22/257115322.db2.gz JKQHFHBMNIDGAK-LSDHHAIUSA-N 0 1 310.419 1.303 10 0 DDAEMN COC(=O)c1cccc(OCCN2CCC[C@@H](NC(C)=O)C2)c1 ZINC000067966654 407292137 /nfs/dbraw/zinc/29/21/37/407292137.db2.gz MCCOZDCPPWYYMY-OAHLLOKOSA-N 0 1 320.389 1.453 10 0 DDAEMN COc1cccc([C@H](CNC(=O)[C@H]2CC[C@H](C)O2)N(C)C)c1 ZINC000124581192 407362953 /nfs/dbraw/zinc/36/29/53/407362953.db2.gz WPNGDFOLUSAUIV-VBNZEHGJSA-N 0 1 306.406 1.982 10 0 DDAEMN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC(Cn2cccn2)CC1 ZINC000105920166 407357396 /nfs/dbraw/zinc/35/73/96/407357396.db2.gz XHSLYCPMECVZGJ-GOEBONIOSA-N 0 1 320.437 1.279 10 0 DDAEMN CC(C)(C)OC[C@@H](O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000125394148 407387515 /nfs/dbraw/zinc/38/75/15/407387515.db2.gz YVRIYNMVWNURHA-KRWDZBQOSA-N 0 1 322.449 1.686 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)n[nH]1 ZINC000152351879 407620700 /nfs/dbraw/zinc/62/07/00/407620700.db2.gz GEIRILAUXDAJEM-GFCCVEGCSA-N 0 1 305.382 1.386 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCCN1CC)CC2 ZINC000114862712 407629389 /nfs/dbraw/zinc/62/93/89/407629389.db2.gz BIAPEJBNPGXXFY-STQMWFEESA-N 0 1 305.426 1.146 10 0 DDAEMN N[C@H]1CN(c2ccc(Br)cc2Br)C1=O ZINC000227621373 407635627 /nfs/dbraw/zinc/63/56/27/407635627.db2.gz MBRWNFAGBPNOEV-ZETCQYMHSA-N 0 1 319.984 1.886 10 0 DDAEMN COc1c(CN2CCSC3(CCOCC3)C2)c(C)nn1C ZINC000186481857 407679324 /nfs/dbraw/zinc/67/93/24/407679324.db2.gz HYMYOLNBWAPNQR-UHFFFAOYSA-N 0 1 311.451 1.835 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000115462786 407684100 /nfs/dbraw/zinc/68/41/00/407684100.db2.gz XTNFEYYUIRHOHE-AWEZNQCLSA-N 0 1 306.406 1.617 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)C(C)(C)C ZINC000171615723 407719888 /nfs/dbraw/zinc/71/98/88/407719888.db2.gz IFIWVAJEFPVDQX-HNNXBMFYSA-N 0 1 319.449 1.438 10 0 DDAEMN CCOC(=O)c1cc2cc(NC(=O)[C@@H](N)COC)ccc2s1 ZINC000262036512 407720261 /nfs/dbraw/zinc/72/02/61/407720261.db2.gz FRKDDZIQGGZXFW-NSHDSACASA-N 0 1 322.386 1.990 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000262271332 407782372 /nfs/dbraw/zinc/78/23/72/407782372.db2.gz KKUSSLHKSPPKHG-HNNXBMFYSA-N 0 1 307.394 1.356 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000262345115 407807460 /nfs/dbraw/zinc/80/74/60/407807460.db2.gz TXNUZNYUPKKKCR-GFCCVEGCSA-N 0 1 312.391 1.005 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000262363943 407811453 /nfs/dbraw/zinc/81/14/53/407811453.db2.gz VWBOCUGNWGZHMB-ZYHUDNBSSA-N 0 1 305.403 1.961 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000180119934 407856059 /nfs/dbraw/zinc/85/60/59/407856059.db2.gz MLDOWVTWEZVUSJ-HNNXBMFYSA-N 0 1 318.425 1.545 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(F)ccc2C)C1 ZINC000262705353 407903187 /nfs/dbraw/zinc/90/31/87/407903187.db2.gz JGAXZOXPVKLLSD-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000262735655 407913220 /nfs/dbraw/zinc/91/32/20/407913220.db2.gz VJTUAJSLCIFXAN-GQWUXDJYSA-N 0 1 320.433 1.866 10 0 DDAEMN C[C@@H]1CCCN(c2cc(NCCN3CCCOCC3)ncn2)C1 ZINC000188501101 407950829 /nfs/dbraw/zinc/95/08/29/407950829.db2.gz QVPDEHAFUROLLK-OAHLLOKOSA-N 0 1 319.453 1.847 10 0 DDAEMN COCCN1CCN(Cc2nnc(C3CC3)n2C2CC2)C[C@@H]1C ZINC000181279322 407975431 /nfs/dbraw/zinc/97/54/31/407975431.db2.gz ABLOXYQFCSZXCN-ZDUSSCGKSA-N 0 1 319.453 1.643 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262937964 407977229 /nfs/dbraw/zinc/97/72/29/407977229.db2.gz IODRGMIATMTUDO-JMJZKYOTSA-N 0 1 324.343 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC2CCC3(CC3)CC2)C1 ZINC000263430665 408139246 /nfs/dbraw/zinc/13/92/46/408139246.db2.gz YTDBETPTXSBNTF-UHFFFAOYSA-N 0 1 323.437 1.946 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2c(O)cccc2F)C1 ZINC000190002558 408144320 /nfs/dbraw/zinc/14/43/20/408144320.db2.gz YMSMPGHSSBNZQQ-KOLCDFICSA-N 0 1 321.308 1.825 10 0 DDAEMN CC[C@@H]1[C@@H](C)CCN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263467660 408149755 /nfs/dbraw/zinc/14/97/55/408149755.db2.gz KKSFFKUEEWBSMC-GFJIZPEISA-N 0 1 311.426 1.754 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246134030 408151027 /nfs/dbraw/zinc/15/10/27/408151027.db2.gz FSYFZVPQOIIHGJ-OLZOCXBDSA-N 0 1 324.421 1.516 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)CC[C@@H]2C)C1 ZINC000263482610 408151981 /nfs/dbraw/zinc/15/19/81/408151981.db2.gz OIZJVLBWDHGBIT-KBHBFKLGSA-N 0 1 311.426 1.754 10 0 DDAEMN CC(C)C[C@@H](Nc1nc(N[C@H]2CCCOC2)cc[nH+]1)C(=O)[O-] ZINC000263526954 408165352 /nfs/dbraw/zinc/16/53/52/408165352.db2.gz ULWARQHBPBHOQU-NWDGAFQWSA-N 0 1 308.382 1.979 10 0 DDAEMN CCOC(=O)c1ccc(N2CCN(CCOC)[C@@H](C)C2)nc1 ZINC000246182699 408166424 /nfs/dbraw/zinc/16/64/24/408166424.db2.gz NKNCCJDESXQZGH-ZDUSSCGKSA-N 0 1 307.394 1.415 10 0 DDAEMN Cc1cc(F)ccc1CN1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263534606 408167885 /nfs/dbraw/zinc/16/78/85/408167885.db2.gz YLKCTOVADLCGOY-OAHLLOKOSA-N 0 1 310.369 1.351 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc(OC)ncc2Cl)C1 ZINC000263544014 408170925 /nfs/dbraw/zinc/17/09/25/408170925.db2.gz FQAARTJJUCZBAX-UHFFFAOYSA-N 0 1 314.773 1.488 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc3ccccc3c(=O)[nH]2)C1 ZINC000263551428 408173129 /nfs/dbraw/zinc/17/31/29/408173129.db2.gz LDNFIAYTZLOEHQ-UHFFFAOYSA-N 0 1 316.361 1.685 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCO[C@@H](C)CC(C)C)CCO2)n[nH]1 ZINC000121298965 408179985 /nfs/dbraw/zinc/17/99/85/408179985.db2.gz DQNFIJNUHMUONA-JSGCOSHPSA-N 0 1 324.425 1.854 10 0 DDAEMN CSc1ccccc1CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263581436 408183612 /nfs/dbraw/zinc/18/36/12/408183612.db2.gz XDWBBUCLVVLPPO-CQSZACIVSA-N 0 1 324.446 1.626 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Nc2ccnn2C(C)(C)C)C[C@H]1C ZINC000190474675 408254237 /nfs/dbraw/zinc/25/42/37/408254237.db2.gz ZQGSKAXZMUVWBB-CHWSQXEVSA-N 0 1 323.441 1.557 10 0 DDAEMN O=C(c1c[nH]c(=O)c2ccccc12)N1CCN2CCCC[C@H]2C1 ZINC000190550787 408274471 /nfs/dbraw/zinc/27/44/71/408274471.db2.gz MCNDSQOCLVYDCY-ZDUSSCGKSA-N 0 1 311.385 1.838 10 0 DDAEMN CCOC(=O)C1CCC(O)(C[N@@H+](C)Cc2cnccn2)CC1 ZINC000190927805 408342753 /nfs/dbraw/zinc/34/27/53/408342753.db2.gz LSNUHJAOAMOQKH-UHFFFAOYSA-N 0 1 307.394 1.393 10 0 DDAEMN CCOC(=O)C1CCC(O)(CN(C)Cc2cnccn2)CC1 ZINC000190927805 408342758 /nfs/dbraw/zinc/34/27/58/408342758.db2.gz LSNUHJAOAMOQKH-UHFFFAOYSA-N 0 1 307.394 1.393 10 0 DDAEMN COc1ccc(CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173541513 162347985 /nfs/dbraw/zinc/34/79/85/162347985.db2.gz ULSICPPANVDKLW-AWEZNQCLSA-N 0 1 316.361 1.264 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCCSC)CCN1C[C@H](C)O ZINC000247015845 408387958 /nfs/dbraw/zinc/38/79/58/408387958.db2.gz WNCXZVIUUZFWCL-KBPBESRZSA-N 0 1 302.484 1.823 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(Cl)cc3O)CCO2)n[nH]1 ZINC000173755297 162362779 /nfs/dbraw/zinc/36/27/79/162362779.db2.gz YQCIUCQJTYMJBI-LBPRGKRZSA-N 0 1 322.752 1.686 10 0 DDAEMN COc1ccc([C@H](C)NC(=O)CCc2nc[nH]n2)cc1OC ZINC000176831552 408455657 /nfs/dbraw/zinc/45/56/57/408455657.db2.gz VRYQVMYXUGLPSJ-JTQLQIEISA-N 0 1 304.350 1.632 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@@H](C)OC)C[C@@H]1CC ZINC000183620825 408456937 /nfs/dbraw/zinc/45/69/37/408456937.db2.gz GTHSYKTVQNMNEY-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CCN1C[C@H](C)O ZINC000247154451 408417947 /nfs/dbraw/zinc/41/79/47/408417947.db2.gz LVCVTHCMFCCEJP-SOUVJXGZSA-N 0 1 313.486 1.457 10 0 DDAEMN CC[C@@H]1CN(CCC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](C)O ZINC000247209473 408428941 /nfs/dbraw/zinc/42/89/41/408428941.db2.gz PMGJIWCBZJCILX-UONOGXRCSA-N 0 1 300.443 1.495 10 0 DDAEMN Cn1cc(CN2CCC[N@@H+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000247395683 408465580 /nfs/dbraw/zinc/46/55/80/408465580.db2.gz XSQKXIMHEPFXSM-GOSISDBHSA-N 0 1 314.433 1.661 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000247479645 408477990 /nfs/dbraw/zinc/47/79/90/408477990.db2.gz SOUMOJOENBUTGZ-JSGCOSHPSA-N 0 1 322.430 1.399 10 0 DDAEMN C[C@@H](C(=O)Nc1ccccc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177221937 408554814 /nfs/dbraw/zinc/55/48/14/408554814.db2.gz OPPPZPYXPXJEGH-VYDXJSESSA-N 0 1 317.433 1.666 10 0 DDAEMN C[C@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1N1CCOCC1 ZINC000177242400 408561382 /nfs/dbraw/zinc/56/13/82/408561382.db2.gz ZQIBIPQGGJDOTJ-HOTGVXAUSA-N 0 1 309.454 1.042 10 0 DDAEMN COCc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CN2CCCC2=O)o1 ZINC000248610233 408597610 /nfs/dbraw/zinc/59/76/10/408597610.db2.gz HOXCDEJGTBPZFU-UKRRQHHQSA-N 0 1 322.405 1.546 10 0 DDAEMN COCc1ccc([C@H]2CCCN2C[C@@H](O)CN2CCCC2=O)o1 ZINC000248610233 408597616 /nfs/dbraw/zinc/59/76/16/408597616.db2.gz HOXCDEJGTBPZFU-UKRRQHHQSA-N 0 1 322.405 1.546 10 0 DDAEMN O=C1Nc2ccccc2CC[C@H]1N1CC[C@H](N2CCOCC2)C1 ZINC000192043009 408534112 /nfs/dbraw/zinc/53/41/12/408534112.db2.gz AZQJZRMZPXZFHX-DOTOQJQBSA-N 0 1 315.417 1.346 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C)[nH]n1 ZINC000161512557 408609947 /nfs/dbraw/zinc/60/99/47/408609947.db2.gz ZERNJLGCLZEIJT-DYVFJYSZSA-N 0 1 314.433 1.938 10 0 DDAEMN CCc1ccccc1CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248980360 408669848 /nfs/dbraw/zinc/66/98/48/408669848.db2.gz VFIRQJZAXXLTFR-GJZGRUSLSA-N 0 1 304.434 1.705 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000184800892 408691961 /nfs/dbraw/zinc/69/19/61/408691961.db2.gz XAGFYOHIJGBHPC-CJNGLKHVSA-N 0 1 323.412 1.812 10 0 DDAEMN CCOCCN1CCN(C(=O)c2c[nH]c(=S)[nH]2)C[C@@H]1CC ZINC000193089116 408692477 /nfs/dbraw/zinc/69/24/77/408692477.db2.gz XIPLWHTUNZSTNR-NSHDSACASA-N 0 1 312.439 1.271 10 0 DDAEMN O=C(NCc1ccc(O)c(F)c1)N1CCN2CCCC[C@H]2C1 ZINC000163713836 408787612 /nfs/dbraw/zinc/78/76/12/408787612.db2.gz GLIBPPFTLFABKD-ZDUSSCGKSA-N 0 1 307.369 1.911 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000187445788 163019621 /nfs/dbraw/zinc/01/96/21/163019621.db2.gz NGCRARKPSREBSU-SKDRFNHKSA-N 0 1 320.393 1.841 10 0 DDAEMN C/C=C(\CC)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000191604237 163194823 /nfs/dbraw/zinc/19/48/23/163194823.db2.gz GGQUOEVPXXLXGY-RPDKKYPRSA-N 0 1 323.481 1.596 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)cn1 ZINC000191764567 163200389 /nfs/dbraw/zinc/20/03/89/163200389.db2.gz HNAXPZBORKDUPN-MRXNPFEDSA-N 0 1 320.437 1.535 10 0 DDAEMN CCC[C@H](C)CS(=O)(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262479959 163835165 /nfs/dbraw/zinc/83/51/65/163835165.db2.gz RAWIRZAUIYOKDE-HIFPTAJRSA-N 0 1 320.455 1.280 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000343944922 410835242 /nfs/dbraw/zinc/83/52/42/410835242.db2.gz CVKIXALYZJNHRX-IRXDYDNUSA-N 0 1 301.390 1.513 10 0 DDAEMN Cc1cc(F)cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c1 ZINC000527560763 421414700 /nfs/dbraw/zinc/41/47/00/421414700.db2.gz GIGZYRURFHMCKJ-OSMZGAPFSA-N 0 1 318.352 1.537 10 0 DDAEMN Cc1ccc2nc(CN3CCC[C@](O)(c4c[nH]nn4)C3)cn2c1 ZINC000583617449 422202880 /nfs/dbraw/zinc/20/28/80/422202880.db2.gz QWSFUSUTUHSQHH-MRXNPFEDSA-N 0 1 312.377 1.244 10 0 DDAEMN Cc1ccc2nc(CN3CCC[C@@](O)(c4c[nH]nn4)C3)cn2c1 ZINC000583617448 422203615 /nfs/dbraw/zinc/20/36/15/422203615.db2.gz QWSFUSUTUHSQHH-INIZCTEOSA-N 0 1 312.377 1.244 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC(c2c[nH]nc2N)CC1 ZINC000616620332 422517713 /nfs/dbraw/zinc/51/77/13/422517713.db2.gz WEAUPCKLRZNCDB-UHFFFAOYSA-N 0 1 309.414 1.696 10 0 DDAEMN O[C@@H]1C[C@H](NCc2cnn(-c3ccccc3)c2)[C@H]1n1cccn1 ZINC000657514510 424392035 /nfs/dbraw/zinc/39/20/35/424392035.db2.gz GKBBOQIKEMFENB-GVDBMIGSSA-N 0 1 309.373 1.533 10 0 DDAEMN COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000344868134 272132368 /nfs/dbraw/zinc/13/23/68/272132368.db2.gz XCCBPFSWSLBOPJ-KBPBESRZSA-N 0 1 316.361 1.348 10 0 DDAEMN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@@]12CCCO2 ZINC000333804953 280049937 /nfs/dbraw/zinc/04/99/37/280049937.db2.gz FBSZNGQHFVJNJX-PVUWLOKVSA-N 0 1 318.421 1.866 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2cncc(F)c2)C[C@@H]1C ZINC000246596788 282000800 /nfs/dbraw/zinc/00/08/00/282000800.db2.gz BBUUFTSFXWOAJY-GFSGRHGLSA-N 0 1 307.369 1.147 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000172355025 298246488 /nfs/dbraw/zinc/24/64/88/298246488.db2.gz MTJCWUWAUYPUJI-ZDUSSCGKSA-N 0 1 310.394 1.263 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCOCc2ccccc2)C[C@H]1C ZINC000174335926 298256915 /nfs/dbraw/zinc/25/69/15/298256915.db2.gz UIGUHRWZNMUWKP-HZPDHXFCSA-N 0 1 320.433 1.507 10 0 DDAEMN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000374238744 307204586 /nfs/dbraw/zinc/20/45/86/307204586.db2.gz QJOVODLICTWKMY-AVGNSLFASA-N 0 1 323.397 1.154 10 0 DDAEMN C[C@@]1(c2ccccc2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)[O-] ZINC000584639466 337379768 /nfs/dbraw/zinc/37/97/68/337379768.db2.gz LSRRWVRFNOYAHT-INIZCTEOSA-N 0 1 302.374 1.731 10 0 DDAEMN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(CN)o3)CCO2)n1 ZINC000168272415 484090409 /nfs/dbraw/zinc/09/04/09/484090409.db2.gz OJNDBVPQSRXURN-CQSZACIVSA-N 0 1 318.377 1.093 10 0 DDAEMN CCCc1cc(C(=O)N2CCC(c3nncn3CC)CC2)n[nH]1 ZINC000105861799 500676358 /nfs/dbraw/zinc/67/63/58/500676358.db2.gz BDOCXMXZKMMYAE-UHFFFAOYSA-N 0 1 316.409 1.993 10 0 DDAEMN CC[C@H]1CN(Cc2ncc(Cl)n2C)CC[N@H+]1C[C@@H](C)O ZINC000105825899 696625192 /nfs/dbraw/zinc/62/51/92/696625192.db2.gz MYJPWPCIVYSWDD-NEPJUHHUSA-N 0 1 300.834 1.351 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171073847 697353990 /nfs/dbraw/zinc/35/39/90/697353990.db2.gz ZBCCXVQFCQJBTJ-GFCCVEGCSA-N 0 1 317.842 1.639 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCN(C[C@@H](O)CC)CC1 ZINC000174073199 697383623 /nfs/dbraw/zinc/38/36/23/697383623.db2.gz RQDYLESENQFVQP-HOTGVXAUSA-N 0 1 313.486 1.460 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177751708 697417153 /nfs/dbraw/zinc/41/71/53/697417153.db2.gz ISXWFLNWLYGYPZ-GFCCVEGCSA-N 0 1 323.356 1.424 10 0 DDAEMN O=c1cc(CN2C[C@@H](O)C[C@@H]2CO)c2cc3c(cc2o1)CCC3 ZINC000179171193 697434377 /nfs/dbraw/zinc/43/43/77/697434377.db2.gz OBJFUGSULJBUOQ-CABCVRRESA-N 0 1 315.369 1.209 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@@](C)(O)c2ccccc2)C[C@@H]1C ZINC000247080478 698361364 /nfs/dbraw/zinc/36/13/64/698361364.db2.gz HAIBVLVNRJMMOD-FUHWJXTLSA-N 0 1 306.450 1.937 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)COc2ccccc2)CC1 ZINC000262917252 698484528 /nfs/dbraw/zinc/48/45/28/698484528.db2.gz KMZQNQIWZBWLJJ-UHFFFAOYSA-N 0 1 320.389 1.463 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)[C@H]1SC ZINC000263504893 698510373 /nfs/dbraw/zinc/51/03/73/698510373.db2.gz LTTULAUIQFOPQN-CXKFEDHGSA-N 0 1 316.467 1.423 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)[C@H]1SC ZINC000263504893 698510377 /nfs/dbraw/zinc/51/03/77/698510377.db2.gz LTTULAUIQFOPQN-CXKFEDHGSA-N 0 1 316.467 1.423 10 0 DDAEMN CC[C@@H]1CCC[C@H](CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000263536741 698512110 /nfs/dbraw/zinc/51/21/10/698512110.db2.gz ZQUJIZRBNLLTLE-PMPSAXMXSA-N 0 1 312.454 1.920 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccnc3c2cnn3C)C1 ZINC000263555671 698513630 /nfs/dbraw/zinc/51/36/30/698513630.db2.gz OCDVUXWMMPNIIV-UHFFFAOYSA-N 0 1 303.366 1.318 10 0 DDAEMN CC[C@H](O)[C@H](C)C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000908094356 712685324 /nfs/dbraw/zinc/68/53/24/712685324.db2.gz WQSIQFUHBXBDBO-RYDUCSDGSA-N 0 1 322.409 1.378 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)cc2)CCN1C[C@H](C)O ZINC000248391921 282080625 /nfs/dbraw/zinc/08/06/25/282080625.db2.gz JTONIWHASQURCM-BILQUBDUSA-N 0 1 318.417 1.709 10 0 DDAEMN C[NH2+][C@@H]1CCC2(C[C@H]1Sc1nc(C)cc(=O)[n-]1)OCCO2 ZINC000081868716 192332715 /nfs/dbraw/zinc/33/27/15/192332715.db2.gz OMNWMJHSKUYOKR-GHMZBOCLSA-N 0 1 311.407 1.054 10 0 DDAEMN NNc1ncc(Br)cc1C(=O)N[C@@H]1CCCOC1 ZINC000082431650 185181856 /nfs/dbraw/zinc/18/18/56/185181856.db2.gz UDSHOQVCOZSTOJ-MRVPVSSYSA-N 0 1 315.171 1.039 10 0 DDAEMN COCCCNC(=O)C[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087571992 185228308 /nfs/dbraw/zinc/22/83/08/185228308.db2.gz SSYGGBYPPNZJSX-UHFFFAOYSA-N 0 1 300.399 1.249 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cnc4ccccn34)CCO2)n[nH]1 ZINC000177338427 539230506 /nfs/dbraw/zinc/23/05/06/539230506.db2.gz HSWNPVBIWQPUPN-CYBMUJFWSA-N 0 1 312.377 1.588 10 0 DDAEMN COc1cc(Cl)c(C)cc1NS(=O)(=O)CC(N)=S ZINC000088486824 185253034 /nfs/dbraw/zinc/25/30/34/185253034.db2.gz OZFXJIVGENAKNZ-UHFFFAOYSA-N 0 1 308.812 1.685 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000088884267 185268825 /nfs/dbraw/zinc/26/88/25/185268825.db2.gz HYZOOCBCBQMDII-NWDGAFQWSA-N 0 1 313.423 1.411 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(CO)s1 ZINC000088895191 185270069 /nfs/dbraw/zinc/27/00/69/185270069.db2.gz DQVKQYBRRPACAQ-UHFFFAOYSA-N 0 1 306.453 1.203 10 0 DDAEMN N[C@H](CS(=O)(=O)C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000081989569 192350642 /nfs/dbraw/zinc/35/06/42/192350642.db2.gz UGVZWKHZPORZDY-GFCCVEGCSA-N 0 1 313.375 1.009 10 0 DDAEMN CCC[N@@H+](CC(=O)NC(CC)CC)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090525846 185300136 /nfs/dbraw/zinc/30/01/36/185300136.db2.gz BNQRCQQTAWFGKF-STQMWFEESA-N 0 1 300.399 1.103 10 0 DDAEMN C[N@H+](Cc1coc(-c2cccs2)n1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388801 185293972 /nfs/dbraw/zinc/29/39/72/185293972.db2.gz RDMXVSOEOKJPOC-WDEREUQCSA-N 0 1 308.359 1.935 10 0 DDAEMN C[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388801 185293973 /nfs/dbraw/zinc/29/39/73/185293973.db2.gz RDMXVSOEOKJPOC-WDEREUQCSA-N 0 1 308.359 1.935 10 0 DDAEMN CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1cccs1 ZINC000090700304 185310516 /nfs/dbraw/zinc/31/05/16/185310516.db2.gz JHCCVGKWDNMEEU-LLVKDONJSA-N 0 1 320.505 1.806 10 0 DDAEMN COCCNCC(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000092495590 185322314 /nfs/dbraw/zinc/32/23/14/185322314.db2.gz PUBRJTVTRAVEMW-UHFFFAOYSA-N 0 1 304.293 1.471 10 0 DDAEMN CCNc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)ccn1 ZINC000092672870 185332842 /nfs/dbraw/zinc/33/28/42/185332842.db2.gz BZVZSQADMNEJPF-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN O=C(NCc1ccc(F)c(Cl)c1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092782354 185340085 /nfs/dbraw/zinc/34/00/85/185340085.db2.gz XLGHVXQOVATOQO-GFCCVEGCSA-N 0 1 308.744 1.533 10 0 DDAEMN C[C@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1cccc(Cl)c1 ZINC000092780799 185340158 /nfs/dbraw/zinc/34/01/58/185340158.db2.gz SLSYUMNZPFPJJA-TVQRCGJNSA-N 0 1 304.781 1.955 10 0 DDAEMN CC(C)COc1ccc([C@H](C)NCC(=O)N2CCNC2=O)cc1 ZINC000181394815 199290482 /nfs/dbraw/zinc/29/04/82/199290482.db2.gz NXBOWYNNCMKCEG-ZDUSSCGKSA-N 0 1 319.405 1.924 10 0 DDAEMN O=C(CC[NH2+]Cc1ccc([O-])c(Br)c1)NC1CC1 ZINC000092986934 185350838 /nfs/dbraw/zinc/35/08/38/185350838.db2.gz OTLLDPMIPRPERL-UHFFFAOYSA-N 0 1 313.195 1.913 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2ccncc2)C1 ZINC000616634092 362764338 /nfs/dbraw/zinc/76/43/38/362764338.db2.gz LMDDPPQEGULIFZ-AWEZNQCLSA-N 0 1 306.410 1.553 10 0 DDAEMN O[C@H](Cc1ccc(I)cc1)c1nnc[nH]1 ZINC000083850651 192386332 /nfs/dbraw/zinc/38/63/32/192386332.db2.gz JDZMANDJWGPPOQ-SECBINFHSA-N 0 1 315.114 1.685 10 0 DDAEMN CN(C)CCNS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1 ZINC000071709493 191011330 /nfs/dbraw/zinc/01/13/30/191011330.db2.gz BOIQDYHYKGWAFL-UHFFFAOYSA-N 0 1 319.430 1.776 10 0 DDAEMN Cc1ccc2nc(CN3CCN(c4ncccn4)CC3)[nH]c2c1 ZINC000071675445 191004997 /nfs/dbraw/zinc/00/49/97/191004997.db2.gz PRKAMNFSXBLLIT-UHFFFAOYSA-N 0 1 308.389 1.984 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186030871 186233460 /nfs/dbraw/zinc/23/34/60/186233460.db2.gz AQOYEFMSYQJTSW-SJLPKXTDSA-N 0 1 318.417 1.177 10 0 DDAEMN CN(C)C(=O)[C@H](c1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000172803819 198152513 /nfs/dbraw/zinc/15/25/13/198152513.db2.gz QBWNRUQGYKZQJS-SJORKVTESA-N 0 1 301.434 1.986 10 0 DDAEMN Cc1nn(C)c(C)c1CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000173473917 198218358 /nfs/dbraw/zinc/21/83/58/198218358.db2.gz MCJZURMPCNSIHH-AWEZNQCLSA-N 0 1 305.426 1.417 10 0 DDAEMN CCc1ccc([C@H](C)NCC(=O)NCC(=O)N2CCCC2)cc1 ZINC000126255937 354053109 /nfs/dbraw/zinc/05/31/09/354053109.db2.gz VVGHILIXRCQQTA-AWEZNQCLSA-N 0 1 317.433 1.638 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247229878 354364287 /nfs/dbraw/zinc/36/42/87/354364287.db2.gz DBPYZIVYDTXWOB-OLZOCXBDSA-N 0 1 309.414 1.212 10 0 DDAEMN CCOCCN1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)C[C@@H]1C ZINC000248709921 354370554 /nfs/dbraw/zinc/37/05/54/354370554.db2.gz BYONLTAUQLUXTD-UONOGXRCSA-N 0 1 308.426 1.594 10 0 DDAEMN O=C(NCc1nnc([C@H]2CCC[NH2+]2)[n-]1)OCc1ccccc1 ZINC000536951465 354692461 /nfs/dbraw/zinc/69/24/61/354692461.db2.gz RABHGQLXTDIEBC-GFCCVEGCSA-N 0 1 301.350 1.656 10 0 DDAEMN CC(=O)N1CCC(C(=O)N2CCN([C@@H](C)C3CC3)CC2)CC1 ZINC000074884384 191379707 /nfs/dbraw/zinc/37/97/07/191379707.db2.gz IWEZYFRECYDQSA-ZDUSSCGKSA-N 0 1 307.438 1.188 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000080868382 192196806 /nfs/dbraw/zinc/19/68/06/192196806.db2.gz FUNUTTKBBPKYOP-SECBINFHSA-N 0 1 304.441 1.566 10 0 DDAEMN COCC[C@H](C)NC(=O)c1cc(Br)cnc1NN ZINC000081735653 192319503 /nfs/dbraw/zinc/31/95/03/192319503.db2.gz CGGOBWXMOYZDAK-ZETCQYMHSA-N 0 1 317.187 1.285 10 0 DDAEMN CNCc1cn(C[C@@H]2Cc3cc(Br)ccc3O2)nn1 ZINC000090902951 192943184 /nfs/dbraw/zinc/94/31/84/192943184.db2.gz XYOZOPAFODXHFH-LBPRGKRZSA-N 0 1 323.194 1.764 10 0 DDAEMN Cc1nc(CN(C)C(=O)c2ccc(Br)nc2)n[nH]1 ZINC000091448693 193057902 /nfs/dbraw/zinc/05/79/02/193057902.db2.gz ZDISIEISKPUEFZ-UHFFFAOYSA-N 0 1 310.155 1.543 10 0 DDAEMN Brc1nnc(NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091677214 193089171 /nfs/dbraw/zinc/08/91/71/193089171.db2.gz BPQNDORIXNCOSM-HTQZYQBOSA-N 0 1 319.228 1.576 10 0 DDAEMN O=C([O-])C=Cc1ccsc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091756138 193102852 /nfs/dbraw/zinc/10/28/52/193102852.db2.gz XENBPIRUSZUABA-GXFZAYBSSA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([O-])C=Cc1ccsc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091756138 193102854 /nfs/dbraw/zinc/10/28/54/193102854.db2.gz XENBPIRUSZUABA-GXFZAYBSSA-N 0 1 307.375 1.055 10 0 DDAEMN C[C@H]([NH3+])Cc1nc([O-])c(-c2ccccc2Br)c(=O)[nH]1 ZINC000093177088 193211917 /nfs/dbraw/zinc/21/19/17/193211917.db2.gz LBGPLKMERYNBTC-ZETCQYMHSA-N 0 1 324.178 1.795 10 0 DDAEMN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCN1 ZINC000262754184 203399350 /nfs/dbraw/zinc/39/93/50/203399350.db2.gz CSOPXAKHESLHIK-MNOVXSKESA-N 0 1 323.343 1.138 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@H](Sc2nnc3ccccn32)C1 ZINC000093852822 193318383 /nfs/dbraw/zinc/31/83/83/193318383.db2.gz MFYFAONODZVSRX-IINYFYTJSA-N 0 1 306.391 1.635 10 0 DDAEMN CCNCc1nc(N(C)CCS(C)(=O)=O)ccc1Cl ZINC000094300719 193358514 /nfs/dbraw/zinc/35/85/14/193358514.db2.gz YRLXOASAQNYERJ-UHFFFAOYSA-N 0 1 305.831 1.325 10 0 DDAEMN CN(CCS(C)(=O)=O)c1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000094302681 193358675 /nfs/dbraw/zinc/35/86/75/193358675.db2.gz ZDJXLCMYPGIVJV-UHFFFAOYSA-N 0 1 312.391 1.139 10 0 DDAEMN CC[N@H+]1CCN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C[C@@H]1C ZINC000094227022 193351313 /nfs/dbraw/zinc/35/13/13/193351313.db2.gz WCSBSSVZDOBQPP-KWQFWETISA-N 0 1 311.304 1.128 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@@H](Sc2nc(N)cc(N)n2)C1 ZINC000094637413 193386951 /nfs/dbraw/zinc/38/69/51/193386951.db2.gz RWIXOTIPMWZMGS-SFYZADRCSA-N 0 1 302.425 1.089 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H](N2CCC3(CC2)OCCO3)C1 ZINC000094679970 193391428 /nfs/dbraw/zinc/39/14/28/193391428.db2.gz MFTJOHOEMLQPLZ-QWHCGFSZSA-N 0 1 303.424 1.181 10 0 DDAEMN NNc1ccc(C(F)(F)F)cc1C(=O)NCc1nnc[nH]1 ZINC000094596740 193382384 /nfs/dbraw/zinc/38/23/84/193382384.db2.gz VOCCRWVOIGTQEI-UHFFFAOYSA-N 0 1 300.244 1.039 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](C)CN1CCCC1 ZINC000094779499 193396660 /nfs/dbraw/zinc/39/66/60/193396660.db2.gz CVRSTHIOJAGKNH-LLVKDONJSA-N 0 1 315.414 1.479 10 0 DDAEMN O=C([O-])Cc1ccc(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)cc1 ZINC000019766798 182144662 /nfs/dbraw/zinc/14/46/62/182144662.db2.gz ACWMSLJLLXFJBB-AWEZNQCLSA-N 0 1 316.357 1.432 10 0 DDAEMN COCC1(S(=O)(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)CC1 ZINC000333652619 249058713 /nfs/dbraw/zinc/05/87/13/249058713.db2.gz FFTUOMHBIXJPHS-LLVKDONJSA-N 0 1 314.411 1.149 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000040503078 183084305 /nfs/dbraw/zinc/08/43/05/183084305.db2.gz WBKDJORNIIETLC-GFCCVEGCSA-N 0 1 312.391 1.147 10 0 DDAEMN COc1cc(N)ccc1NC(=O)[C@@H](C)Sc1nnc(C)[nH]1 ZINC000041632560 183212366 /nfs/dbraw/zinc/21/23/66/183212366.db2.gz SKASSVZRHUOVSW-SSDOTTSWSA-N 0 1 307.379 1.823 10 0 DDAEMN COc1cc(N)ccc1NC(=O)[C@@H](C)Sc1nc(C)n[nH]1 ZINC000041632560 183212369 /nfs/dbraw/zinc/21/23/69/183212369.db2.gz SKASSVZRHUOVSW-SSDOTTSWSA-N 0 1 307.379 1.823 10 0 DDAEMN CC[C@@H](C)[C@@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682516 183216872 /nfs/dbraw/zinc/21/68/72/183216872.db2.gz WFXQFGYORRENGA-CHWSQXEVSA-N 0 1 301.431 1.905 10 0 DDAEMN CNC(=O)[C@@H](C)NCc1cc2c(c(Br)c1)OCO2 ZINC000042341907 183256598 /nfs/dbraw/zinc/25/65/98/183256598.db2.gz KFCIRRUJZBEAHL-SSDOTTSWSA-N 0 1 315.167 1.402 10 0 DDAEMN CCC(CC)N(CCOC)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000042680585 183296271 /nfs/dbraw/zinc/29/62/71/183296271.db2.gz VICPWVUIKLLQGT-INIZCTEOSA-N 0 1 300.443 1.853 10 0 DDAEMN C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000042706849 183299270 /nfs/dbraw/zinc/29/92/70/183299270.db2.gz ITCVBTPQUZKGEM-ZETCQYMHSA-N 0 1 304.268 1.695 10 0 DDAEMN COc1ccc([C@@H](Sc2nc(N)cc(=O)[n-]2)[C@@H](C)[NH3+])cc1 ZINC000042965242 183324496 /nfs/dbraw/zinc/32/44/96/183324496.db2.gz BKCFXJNCSRRNNP-OQPBUACISA-N 0 1 306.391 1.541 10 0 DDAEMN Nc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)c(F)c1 ZINC000043592975 183374607 /nfs/dbraw/zinc/37/46/07/183374607.db2.gz GBOAUKRTDDBKLO-UHFFFAOYSA-N 0 1 310.350 1.744 10 0 DDAEMN CCOc1ncccc1CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105118453 194075532 /nfs/dbraw/zinc/07/55/32/194075532.db2.gz VYTRBNWIDDHHFA-OAHLLOKOSA-N 0 1 318.421 1.860 10 0 DDAEMN CCCn1cc(CN2CCCN(C(=O)c3ccn[nH]3)CC2)cn1 ZINC000105833943 194142321 /nfs/dbraw/zinc/14/23/21/194142321.db2.gz RNGURACZSYECRA-UHFFFAOYSA-N 0 1 316.409 1.364 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000105883907 194156949 /nfs/dbraw/zinc/15/69/49/194156949.db2.gz RDLORTKGUPYTCR-CABCVRRESA-N 0 1 307.442 1.685 10 0 DDAEMN COCCCNC(=O)[C@H](C)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901048 194164772 /nfs/dbraw/zinc/16/47/72/194164772.db2.gz IXRBOKIMELEUCI-LSDHHAIUSA-N 0 1 308.426 1.370 10 0 DDAEMN C[C@H](C(=O)N1CCCCC1)N1CCCN(c2cccnn2)CC1 ZINC000105909210 194166598 /nfs/dbraw/zinc/16/65/98/194166598.db2.gz GJWTWDAGERIOBU-OAHLLOKOSA-N 0 1 317.437 1.390 10 0 DDAEMN COCCN1CCN(Cc2cnn(-c3ccccc3)n2)C[C@@H]1C ZINC000106107650 194185833 /nfs/dbraw/zinc/18/58/33/194185833.db2.gz UZYLRSFGZLLDAQ-HNNXBMFYSA-N 0 1 315.421 1.420 10 0 DDAEMN COCc1ccccc1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000285088095 218285601 /nfs/dbraw/zinc/28/56/01/218285601.db2.gz DKXHQECFDSVLMT-JKSUJKDBSA-N 0 1 304.390 1.378 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2ccncc2)CC1 ZINC000109463328 194265323 /nfs/dbraw/zinc/26/53/23/194265323.db2.gz ZXBWVUNKYQKFJZ-CYBMUJFWSA-N 0 1 306.435 1.294 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)C2CCOCC2)CC1 ZINC000109464918 194265533 /nfs/dbraw/zinc/26/55/33/194265533.db2.gz JMOFVPJNKVXBDP-ZDUSSCGKSA-N 0 1 313.467 1.012 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CCN1C ZINC000110759240 194357296 /nfs/dbraw/zinc/35/72/96/194357296.db2.gz ALBLYHMHNAXFKH-JTQLQIEISA-N 0 1 300.200 1.943 10 0 DDAEMN CC[N@H+](CC(=O)NCc1ccccc1Cl)C[C@@H](C)C(=O)[O-] ZINC000061221335 184166425 /nfs/dbraw/zinc/16/64/25/184166425.db2.gz XILDBYDRQDMMDA-LLVKDONJSA-N 0 1 312.797 1.999 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1c(N)cccc1Cl ZINC000061642661 184180137 /nfs/dbraw/zinc/18/01/37/184180137.db2.gz BVARXIVJEZEJBL-JTQLQIEISA-N 0 1 317.842 1.637 10 0 DDAEMN Nc1cc(Cl)ccc1NC(=O)CCN1CCNC(=O)CC1 ZINC000062099609 184206104 /nfs/dbraw/zinc/20/61/04/184206104.db2.gz ITHMSABMVIIVRU-UHFFFAOYSA-N 0 1 310.785 1.073 10 0 DDAEMN O=C([O-])CSc1nnc(N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000062941594 184262061 /nfs/dbraw/zinc/26/20/61/184262061.db2.gz ANQHMIWWYCJEHT-SECBINFHSA-N 0 1 314.436 1.389 10 0 DDAEMN CCCNc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cn1 ZINC000062984586 184264750 /nfs/dbraw/zinc/26/47/50/184264750.db2.gz XWCKEOOCGOBBFD-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN NCc1ccc(S(=O)(=O)N2CCOc3ccccc3C2)s1 ZINC000063013963 184266549 /nfs/dbraw/zinc/26/65/49/184266549.db2.gz YTGARWOULKFSAK-UHFFFAOYSA-N 0 1 324.427 1.790 10 0 DDAEMN CCNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000063733754 184287291 /nfs/dbraw/zinc/28/72/91/184287291.db2.gz LBUUGDTYYPHKHT-UHFFFAOYSA-N 0 1 308.363 1.269 10 0 DDAEMN COCCOc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000120657252 195209251 /nfs/dbraw/zinc/20/92/51/195209251.db2.gz IUDFBGGEOHIPPU-HZPDHXFCSA-N 0 1 322.449 1.599 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(CC[C@H](O)c2ccccc2)CCN1C ZINC000289577954 221081371 /nfs/dbraw/zinc/08/13/71/221081371.db2.gz YVZVXJVFICRMKX-IRXDYDNUSA-N 0 1 314.433 1.832 10 0 DDAEMN COCCN1CCO[C@@H]2CCN(Cc3ccccc3OC)C[C@H]21 ZINC000248114150 257109470 /nfs/dbraw/zinc/10/94/70/257109470.db2.gz ALLGFUBQHZFZKA-SJLPKXTDSA-N 0 1 320.433 1.617 10 0 DDAEMN COCCN1CC[C@@]2(CN(Cc3nccs3)C[C@@H]2C)C1=O ZINC000247816190 257117038 /nfs/dbraw/zinc/11/70/38/257117038.db2.gz BILJTFZMDPYIDA-WFASDCNBSA-N 0 1 309.435 1.460 10 0 DDAEMN O=C(NC[C@@]12COC[C@@H]1CN(Cc1ccco1)C2)c1ccno1 ZINC000247480015 257118737 /nfs/dbraw/zinc/11/87/37/257118737.db2.gz IMXRWSRKHVHYPD-BLLLJJGKSA-N 0 1 317.345 1.146 10 0 DDAEMN Cc1ccccc1OCCCCS(=O)(=O)c1n[nH]c(N)n1 ZINC000008015901 406774998 /nfs/dbraw/zinc/77/49/98/406774998.db2.gz OKFUYTFKMWDMGJ-UHFFFAOYSA-N 0 1 310.379 1.328 10 0 DDAEMN CC(C)[N@H+]1CCN(C(=O)OCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000008698717 406793475 /nfs/dbraw/zinc/79/34/75/406793475.db2.gz DMJIGBFCUYSIIF-AWEZNQCLSA-N 0 1 306.362 1.802 10 0 DDAEMN Cc1[nH]nc2c1ncnc2N1CCN(Cc2ccccc2)CC1 ZINC000041528123 407007727 /nfs/dbraw/zinc/00/77/27/407007727.db2.gz RILDCRFMHXVUFX-UHFFFAOYSA-N 0 1 308.389 1.984 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066891931 407262432 /nfs/dbraw/zinc/26/24/32/407262432.db2.gz OMAYYGKPAWIGEN-CQSZACIVSA-N 0 1 319.453 1.677 10 0 DDAEMN O=C(c1ccc(F)cc1O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000123879828 407341656 /nfs/dbraw/zinc/34/16/56/407341656.db2.gz JAFMISOIOZPSDJ-LLVKDONJSA-N 0 1 304.325 1.675 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)cc2)CCN1CCOC ZINC000125457764 407389383 /nfs/dbraw/zinc/38/93/83/407389383.db2.gz MTJBDSUTWPEJOF-YXMGTMDOSA-N 0 1 318.417 1.975 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccccc2O)CCN1C[C@@H](C)O ZINC000152176765 407577317 /nfs/dbraw/zinc/57/73/17/407577317.db2.gz XQSAISSBACRZAA-KGLIPLIRSA-N 0 1 322.405 1.075 10 0 DDAEMN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN3CCC[C@@H]3C2)c1C ZINC000178627058 407517734 /nfs/dbraw/zinc/51/77/34/407517734.db2.gz OJEZAVNRVOLAKI-CQSZACIVSA-N 0 1 303.406 1.797 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 ZINC000170873646 407543127 /nfs/dbraw/zinc/54/31/27/407543127.db2.gz BHAIEVBALRHSBE-GFCCVEGCSA-N 0 1 322.386 1.118 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1 ZINC000261757339 407604469 /nfs/dbraw/zinc/60/44/69/407604469.db2.gz PMEAXQJXAIVHMU-HOCLYGCPSA-N 0 1 314.433 1.638 10 0 DDAEMN O=C(CN1Cc2ccccc2C1=O)N1CCN2CCCC[C@H]2C1 ZINC000226097494 407614665 /nfs/dbraw/zinc/61/46/65/407614665.db2.gz OVGIHMCCVYNCSJ-HNNXBMFYSA-N 0 1 313.401 1.339 10 0 DDAEMN COc1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1O ZINC000171638582 407729575 /nfs/dbraw/zinc/72/95/75/407729575.db2.gz MQIABUBGGDYETO-AWEZNQCLSA-N 0 1 319.405 1.781 10 0 DDAEMN C[C@@H](C(=O)NCc1ccccc1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116322222 407742867 /nfs/dbraw/zinc/74/28/67/407742867.db2.gz ARXIZTXHQAKENW-HOCLYGCPSA-N 0 1 312.417 1.914 10 0 DDAEMN C[C@H](C(=O)NCc1ccccc1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116322227 407743370 /nfs/dbraw/zinc/74/33/70/407743370.db2.gz ARXIZTXHQAKENW-ZBFHGGJFSA-N 0 1 312.417 1.914 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CCN1C[C@@H](C)O ZINC000132450071 407784496 /nfs/dbraw/zinc/78/44/96/407784496.db2.gz PIJURTFBKKVNCA-TYNCELHUSA-N 0 1 322.453 1.434 10 0 DDAEMN CCOC(=O)Cn1ccc2cc(NC(=O)[C@H](N)COC)ccc21 ZINC000262287271 407785405 /nfs/dbraw/zinc/78/54/05/407785405.db2.gz MNCLQHDFTIWGFD-CYBMUJFWSA-N 0 1 319.361 1.117 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000262268595 407778032 /nfs/dbraw/zinc/77/80/32/407778032.db2.gz VIZLANJYMYHOSP-QMMMGPOBSA-N 0 1 310.247 1.679 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000262313739 407794175 /nfs/dbraw/zinc/79/41/75/407794175.db2.gz PLIAOXGLVRTMAJ-HNNXBMFYSA-N 0 1 319.405 1.405 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000262346185 407806267 /nfs/dbraw/zinc/80/62/67/407806267.db2.gz UCLCPVWTVLQYCW-HNNXBMFYSA-N 0 1 305.378 1.110 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000262370863 407814702 /nfs/dbraw/zinc/81/47/02/407814702.db2.gz WSSZZUNSZPEYIQ-SNVBAGLBSA-N 0 1 306.284 1.218 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2OC)CCN1CCOC ZINC000117308648 407827340 /nfs/dbraw/zinc/82/73/40/407827340.db2.gz RASZQXBXGXBGCM-INIZCTEOSA-N 0 1 320.433 1.807 10 0 DDAEMN Cn1cc([C@H]2CCN(CCn3cnc4ccccc4c3=O)C2)cn1 ZINC000117342208 407829325 /nfs/dbraw/zinc/82/93/25/407829325.db2.gz GDODYUNNGDMZEM-AWEZNQCLSA-N 0 1 323.400 1.620 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)ccc2F)C1 ZINC000262697541 407904691 /nfs/dbraw/zinc/90/46/91/407904691.db2.gz GSWGTABWXDBPCN-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1C ZINC000181279376 407976016 /nfs/dbraw/zinc/97/60/16/407976016.db2.gz CJCCLQVRPUDNIA-AWEZNQCLSA-N 0 1 321.469 1.625 10 0 DDAEMN COCCOc1cccc(CN2CCC[C@@H](NC(C)=O)C2)c1 ZINC000153839033 407914922 /nfs/dbraw/zinc/91/49/22/407914922.db2.gz MBHLJMIDRSZSJX-MRXNPFEDSA-N 0 1 306.406 1.812 10 0 DDAEMN COC(=O)c1ccccc1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245724004 408052498 /nfs/dbraw/zinc/05/24/98/408052498.db2.gz ILLFRCZSZBQDSC-KGLIPLIRSA-N 0 1 306.406 1.360 10 0 DDAEMN CN(C)[C@H](CNC(=O)[C@H]1CC(F)(F)CN1)c1ccsc1 ZINC000263052679 408012098 /nfs/dbraw/zinc/01/20/98/408012098.db2.gz USGZGZDSMIMJDN-GHMZBOCLSA-N 0 1 303.378 1.464 10 0 DDAEMN CC(C)N1CC[C@H](N2CCC(Nc3cccnn3)CC2)C1=O ZINC000175186672 408071665 /nfs/dbraw/zinc/07/16/65/408071665.db2.gz OQFFXDXYUHLAAA-AWEZNQCLSA-N 0 1 303.410 1.362 10 0 DDAEMN CO[C@H](C)CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000182147362 408081653 /nfs/dbraw/zinc/08/16/53/408081653.db2.gz OTUUGJXEYXMOCU-CVEARBPZSA-N 0 1 308.422 1.079 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2F)C1 ZINC000154933367 408105475 /nfs/dbraw/zinc/10/54/75/408105475.db2.gz QWPXENROUIITMS-LLVKDONJSA-N 0 1 323.368 1.373 10 0 DDAEMN C[C@@H]1CN(CCCNC(=O)N2CCS[C@@H](C)C2)C[C@H](C)O1 ZINC000246154530 408156340 /nfs/dbraw/zinc/15/63/40/408156340.db2.gz QEGUSASAOQUKOF-MJBXVCDLSA-N 0 1 315.483 1.633 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Nc2cccnc2)C1 ZINC000263511182 408161069 /nfs/dbraw/zinc/16/10/69/408161069.db2.gz XUBBXPHTRMMPQT-UHFFFAOYSA-N 0 1 318.377 1.531 10 0 DDAEMN Cc1ccc2nc(CN3C[C@H](N4CCOCC4)[C@@H](C)C3)cn2c1 ZINC000246205733 408177336 /nfs/dbraw/zinc/17/73/36/408177336.db2.gz XOUXZWHTWGSLFA-RDJZCZTQSA-N 0 1 314.433 1.795 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cncc(OCC(C)C)n2)C1 ZINC000263569551 408179147 /nfs/dbraw/zinc/17/91/47/408179147.db2.gz ZNCWPDAXFBWKNG-UHFFFAOYSA-N 0 1 322.409 1.861 10 0 DDAEMN O[C@@H](COCc1ccccc1)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000246511088 408275963 /nfs/dbraw/zinc/27/59/63/408275963.db2.gz CRENCMFDPSYBNX-KGLIPLIRSA-N 0 1 319.323 1.563 10 0 DDAEMN Cc1nn(C)c(Cl)c1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246578114 408295199 /nfs/dbraw/zinc/29/51/99/408295199.db2.gz VZRABJYGBQSTAH-RISCZKNCSA-N 0 1 312.845 1.534 10 0 DDAEMN CCOCCN1CCN([C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000246611040 408302870 /nfs/dbraw/zinc/30/28/70/408302870.db2.gz AMHBASHYMNXUPN-WBVHZDCISA-N 0 1 320.433 1.943 10 0 DDAEMN CC(C)(C)n1cc(CN[C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000190972226 408351257 /nfs/dbraw/zinc/35/12/57/408351257.db2.gz HQOCEACYMVYJHX-CYBMUJFWSA-N 0 1 315.425 1.582 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000171552673 162224282 /nfs/dbraw/zinc/22/42/82/162224282.db2.gz OURVPSFBEULOCJ-OLZOCXBDSA-N 0 1 305.426 1.656 10 0 DDAEMN CCC(C)(C)NC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246998337 408384423 /nfs/dbraw/zinc/38/44/23/408384423.db2.gz NRTWKFCOOAEKRQ-ZYHUDNBSSA-N 0 1 309.414 1.180 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n[nH]1 ZINC000173548404 162347055 /nfs/dbraw/zinc/34/70/55/162347055.db2.gz LGVRGGVZSGUCJT-ZDUSSCGKSA-N 0 1 320.324 1.231 10 0 DDAEMN CCCCCCOCC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173539479 162347669 /nfs/dbraw/zinc/34/76/69/162347669.db2.gz HGKUOEFCUAYWHF-ZDUSSCGKSA-N 0 1 310.398 1.610 10 0 DDAEMN CC1CCC(N(C)C(=O)CN2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000173923218 162377398 /nfs/dbraw/zinc/37/73/98/162377398.db2.gz BNVULFQVAQOMOR-OFLPRAFFSA-N 0 1 323.481 1.430 10 0 DDAEMN Cc1cccc2nc(CN3CCN(C[C@@H](C)O)[C@@H](C)C3)cn21 ZINC000246988579 408381292 /nfs/dbraw/zinc/38/12/92/408381292.db2.gz AWSGPGJKORZGOW-LSDHHAIUSA-N 0 1 302.422 1.530 10 0 DDAEMN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cnccc1N(C)C ZINC000183848382 408499978 /nfs/dbraw/zinc/49/99/78/408499978.db2.gz ALEGAJWJGOOHTK-NSHDSACASA-N 0 1 307.394 1.950 10 0 DDAEMN COCCN1CCN(c2ncccc2C(=O)OC(C)C)C[C@H]1C ZINC000184110501 408548891 /nfs/dbraw/zinc/54/88/91/408548891.db2.gz YEWIVWNILLADRQ-CQSZACIVSA-N 0 1 321.421 1.804 10 0 DDAEMN Cc1cc(N2CC[C@@H](N3CCN4CCCC[C@H]4C3)C2=O)n(C)n1 ZINC000248371728 408552728 /nfs/dbraw/zinc/55/27/28/408552728.db2.gz YZESRFQELPQBNJ-LSDHHAIUSA-N 0 1 317.437 1.004 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(C)cn3)CCO2)n[nH]1 ZINC000184290985 408584963 /nfs/dbraw/zinc/58/49/63/408584963.db2.gz URRJPZPWBOTSRJ-NSHDSACASA-N 0 1 302.338 1.422 10 0 DDAEMN Cc1cnn([C@H]2CCCN(C(=O)CCCCc3cn[nH]n3)C2)c1 ZINC000184759322 408683220 /nfs/dbraw/zinc/68/32/20/408683220.db2.gz SDSCNXRJRSPRKD-HNNXBMFYSA-N 0 1 316.409 1.886 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC)C1 ZINC000194150359 408767366 /nfs/dbraw/zinc/76/73/66/408767366.db2.gz WKWKVDLLBXBAMP-LBPRGKRZSA-N 0 1 321.446 1.948 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000249895626 408772112 /nfs/dbraw/zinc/77/21/12/408772112.db2.gz ROWOLSKABGDWBR-RBSFLKMASA-N 0 1 322.457 1.328 10 0 DDAEMN O=C(CCS(=O)(=O)C1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000195333762 163317544 /nfs/dbraw/zinc/31/75/44/163317544.db2.gz NZCUAYHHGZPAIQ-ZDUSSCGKSA-N 0 1 314.451 1.041 10 0 DDAEMN CCCc1cnc(NC(=O)C(=O)N[C@H]2CCCN(CC)C2)s1 ZINC000190403478 222078195 /nfs/dbraw/zinc/07/81/95/222078195.db2.gz PDEDDTREQCAGFI-NSHDSACASA-N 0 1 324.450 1.635 10 0 DDAEMN CO[C@@H]1CCC[C@H](CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)C1 ZINC000375663511 418671008 /nfs/dbraw/zinc/67/10/08/418671008.db2.gz JVNBEJUIMRYBCG-MJBXVCDLSA-N 0 1 322.409 1.608 10 0 DDAEMN NC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C(F)(F)F ZINC000299744996 229385049 /nfs/dbraw/zinc/38/50/49/229385049.db2.gz QORARKNEZOMSOC-HTQZYQBOSA-N 0 1 316.283 1.023 10 0 DDAEMN COc1nsc(CNCC2CC(O)C2)c1Br ZINC000639352333 423466613 /nfs/dbraw/zinc/46/66/13/423466613.db2.gz HPWPCTRUAVMEQV-UHFFFAOYSA-N 0 1 307.213 1.775 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000163031221 276536673 /nfs/dbraw/zinc/53/66/73/276536673.db2.gz GYWKDIPVILDXME-NVXWUHKLSA-N 0 1 320.433 1.598 10 0 DDAEMN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246859246 278187201 /nfs/dbraw/zinc/18/72/01/278187201.db2.gz FLPRYDXQBMDBHD-JKSUJKDBSA-N 0 1 309.454 1.040 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N1c2ccccc2C[C@H]1C ZINC000105933558 281051385 /nfs/dbraw/zinc/05/13/85/281051385.db2.gz AGXSBSCBJDZERZ-IJEWVQPXSA-N 0 1 317.433 1.273 10 0 DDAEMN CCc1cccc(CC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246635073 282003366 /nfs/dbraw/zinc/00/33/66/282003366.db2.gz JGBHLZCGOFUKKS-GJZGRUSLSA-N 0 1 304.434 1.705 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000113226335 300314149 /nfs/dbraw/zinc/31/41/49/300314149.db2.gz SOUMOJOENBUTGZ-GXTWGEPZSA-N 0 1 322.430 1.399 10 0 DDAEMN C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000309767133 484380147 /nfs/dbraw/zinc/38/01/47/484380147.db2.gz JVCFKZMSQWYSBW-KBMXLJTQSA-N 0 1 307.390 1.749 10 0 DDAEMN Cn1nccc1[C@@H]1OCCC[C@H]1CN1CCn2cncc2C1 ZINC000668177813 485008267 /nfs/dbraw/zinc/00/82/67/485008267.db2.gz GXTQRJMFNUIWIY-XJKSGUPXSA-N 0 1 301.394 1.600 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1C ZINC000247557195 490706155 /nfs/dbraw/zinc/70/61/55/490706155.db2.gz RAXMUSKOEGYLJV-ZDUSSCGKSA-N 0 1 310.419 1.472 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(Cl)nc3C)CCO2)n[nH]1 ZINC000157574263 526537140 /nfs/dbraw/zinc/53/71/40/526537140.db2.gz JIHOYPWTBVOHHR-LLVKDONJSA-N 0 1 321.768 1.684 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)N2CCO[C@H](C)C2)C12CCCC2 ZINC000172670454 697370541 /nfs/dbraw/zinc/37/05/41/697370541.db2.gz XJSXZKXDWVTUMH-OWCLPIDISA-N 0 1 324.465 1.903 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C(F)(F)c3ccccc3)CCO2)n[nH]1 ZINC000173602400 697379963 /nfs/dbraw/zinc/37/99/63/697379963.db2.gz BEIJCRDFBAUPOW-LBPRGKRZSA-N 0 1 322.315 1.805 10 0 DDAEMN CC(C)c1cc(C(=O)N[C@H]2CN3CCC2CC3)nc(N(C)C)n1 ZINC000222579116 697757854 /nfs/dbraw/zinc/75/78/54/697757854.db2.gz APWJLOLOIDQUGL-HNNXBMFYSA-N 0 1 317.437 1.490 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000263096160 698491482 /nfs/dbraw/zinc/49/14/82/698491482.db2.gz VZIFSFBRBFRBCO-GFJIZPEISA-N 0 1 311.426 1.802 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc(NC(C)=O)cc2)C1 ZINC000263528692 698512261 /nfs/dbraw/zinc/51/22/61/698512261.db2.gz VJWLVNSEDNRFPN-UHFFFAOYSA-N 0 1 319.405 1.672 10 0 DDAEMN Cc1n[nH]cc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000886043284 708687513 /nfs/dbraw/zinc/68/75/13/708687513.db2.gz GNJGCZMFBUDEBZ-SWLSCSKDSA-N 0 1 316.409 1.265 10 0 DDAEMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000930425019 713831531 /nfs/dbraw/zinc/83/15/31/713831531.db2.gz IFTXCYAYOVNGHK-GUYCJALGSA-N 0 1 321.396 1.731 10 0 DDAEMN O=C(CCc1cnc[nH]1)Nc1ccccc1N1CCOCC1 ZINC000074727236 185013390 /nfs/dbraw/zinc/01/33/90/185013390.db2.gz LZWJUJKIZXJDBD-UHFFFAOYSA-N 0 1 300.362 1.818 10 0 DDAEMN Cc1noc(C)c1S(=O)(=O)N(C)c1ccc2nc[nH]c2c1 ZINC000082351511 185177102 /nfs/dbraw/zinc/17/71/02/185177102.db2.gz HOAPTPSCPJIRKS-UHFFFAOYSA-N 0 1 306.347 1.993 10 0 DDAEMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cncc(F)c3)ccc21 ZINC000082356150 185177612 /nfs/dbraw/zinc/17/76/12/185177612.db2.gz SFWOAXGZLRBTPH-UHFFFAOYSA-N 0 1 321.333 1.540 10 0 DDAEMN O=C1CC[C@H](NCc2ccc(I)o2)CN1 ZINC000082515435 185189396 /nfs/dbraw/zinc/18/93/96/185189396.db2.gz UCPCLSCHJCKPBC-ZETCQYMHSA-N 0 1 320.130 1.252 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC(=O)OCC)c1ccc(C)cc1 ZINC000081977549 192347628 /nfs/dbraw/zinc/34/76/28/192347628.db2.gz PEEYUXODEFXLIR-AWEZNQCLSA-N 0 1 313.419 1.624 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N(C)C2CCCC2)c1S(N)(=O)=O ZINC000087894535 185235172 /nfs/dbraw/zinc/23/51/72/185235172.db2.gz NMCQWQKGZHWLQW-UHFFFAOYSA-N 0 1 314.411 1.195 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NCc1cccc(Cl)c1)C(C)C ZINC000183641178 539242546 /nfs/dbraw/zinc/24/25/46/539242546.db2.gz QEZKCECWXGOTFG-CQSZACIVSA-N 0 1 311.813 1.316 10 0 DDAEMN COCCC[S@](=O)C[C@@H](N)c1cc(OC)ccc1OC ZINC000081998904 192352925 /nfs/dbraw/zinc/35/29/25/192352925.db2.gz XYVCOJVSRYMLEV-ZUOKHONESA-N 0 1 301.408 1.489 10 0 DDAEMN CCNCc1cn(CC(=O)Nc2ccc(Cl)cc2F)nn1 ZINC000090296377 185289933 /nfs/dbraw/zinc/28/99/33/185289933.db2.gz FMXKJARRTXALSQ-UHFFFAOYSA-N 0 1 311.748 1.819 10 0 DDAEMN C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389461 185293942 /nfs/dbraw/zinc/29/39/42/185293942.db2.gz SSUOLKNVPHIOLD-RYUDHWBXSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389461 185293943 /nfs/dbraw/zinc/29/39/43/185293943.db2.gz SSUOLKNVPHIOLD-RYUDHWBXSA-N 0 1 312.753 1.310 10 0 DDAEMN CC(C)(C)[N@H+](CC(=O)[O-])CC(=O)N1CCc2sccc2C1 ZINC000092449100 185319185 /nfs/dbraw/zinc/31/91/85/185319185.db2.gz PFBSTUVWSSOGMC-UHFFFAOYSA-N 0 1 310.419 1.818 10 0 DDAEMN CC(C)(C)[N@@H+](CC(=O)[O-])CC(=O)N1CCc2sccc2C1 ZINC000092449100 185319186 /nfs/dbraw/zinc/31/91/86/185319186.db2.gz PFBSTUVWSSOGMC-UHFFFAOYSA-N 0 1 310.419 1.818 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(F)ccc1N ZINC000092622504 185329766 /nfs/dbraw/zinc/32/97/66/185329766.db2.gz RYXBWGFSSCXYGV-NSHDSACASA-N 0 1 301.387 1.123 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000092627882 185330585 /nfs/dbraw/zinc/33/05/85/185330585.db2.gz YOLFMTVDFRZLNK-ZDUSSCGKSA-N 0 1 300.399 1.931 10 0 DDAEMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000092926817 185349464 /nfs/dbraw/zinc/34/94/64/185349464.db2.gz JUNFPGLHXWYBQX-ZWNOBZJWSA-N 0 1 310.781 1.751 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000261609479 282288294 /nfs/dbraw/zinc/28/82/94/282288294.db2.gz BRTAPFDAPHTSAJ-AEGPPILISA-N 0 1 318.417 1.980 10 0 DDAEMN CN[C@H]1c2ccc(Sc3nnc(N(C)C)s3)cc2NC1=O ZINC000111316121 185580587 /nfs/dbraw/zinc/58/05/87/185580587.db2.gz MMBYVAYRNMXOPQ-JTQLQIEISA-N 0 1 321.431 1.968 10 0 DDAEMN Cc1nc(CN(C)C(=O)c2ccc(Br)c(N)c2)n[nH]1 ZINC000080511603 192164235 /nfs/dbraw/zinc/16/42/35/192164235.db2.gz ZETRFXUMXDBIME-UHFFFAOYSA-N 0 1 324.182 1.730 10 0 DDAEMN CNS(=O)(=O)c1cc(CNC2CC2)oc1Br ZINC000084174980 192409995 /nfs/dbraw/zinc/40/99/95/192409995.db2.gz UVDNIVQJMFZPKG-UHFFFAOYSA-N 0 1 309.185 1.202 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CC(C)(C)CC(C)=O)CCO2)n[nH]1 ZINC000191879659 186269170 /nfs/dbraw/zinc/26/91/70/186269170.db2.gz UXEULZFRYWCASG-GFCCVEGCSA-N 0 1 322.409 1.662 10 0 DDAEMN O[C@@H]1COCC[C@@H]1NCc1cccc(F)c1Br ZINC000623766336 366046116 /nfs/dbraw/zinc/04/61/16/366046116.db2.gz DPOICVPHZQNPSO-WDEREUQCSA-N 0 1 304.159 1.828 10 0 DDAEMN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000173000782 198175820 /nfs/dbraw/zinc/17/58/20/198175820.db2.gz VYXBTSLHMODUFA-GOEBONIOSA-N 0 1 320.433 1.863 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(C)n3C)CCO2)n[nH]1 ZINC000173577010 198229793 /nfs/dbraw/zinc/22/97/93/198229793.db2.gz VONNBVXRFPPKJY-GFCCVEGCSA-N 0 1 303.366 1.228 10 0 DDAEMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n[nH]1 ZINC000173887338 198264660 /nfs/dbraw/zinc/26/46/60/198264660.db2.gz PNPVQJUTNYKXMV-IUODEOHRSA-N 0 1 306.410 1.326 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cccnc3)C2=O)n(C)n1 ZINC000174344745 198322256 /nfs/dbraw/zinc/32/22/56/198322256.db2.gz RGAUNOPCCJYYFQ-UKRRQHHQSA-N 0 1 313.405 1.970 10 0 DDAEMN CC(=O)NCCCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866217 353937941 /nfs/dbraw/zinc/93/79/41/353937941.db2.gz FTRGXCJZDOZDCY-UHFFFAOYSA-N 0 1 321.469 1.282 10 0 DDAEMN COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000220619589 354313978 /nfs/dbraw/zinc/31/39/78/354313978.db2.gz QPSMQJJPKRQFMX-BXUZGUMPSA-N 0 1 305.378 1.377 10 0 DDAEMN COCCN1CCN(C(=O)[C@@H]2NCCc3ccccc32)C[C@H]1C ZINC000246528519 354360255 /nfs/dbraw/zinc/36/02/55/354360255.db2.gz RSWJEAGFAFKMOV-RHSMWYFYSA-N 0 1 317.433 1.053 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@H](c2ccccc2OC(F)(F)F)NC1 ZINC000080129532 192004290 /nfs/dbraw/zinc/00/42/90/192004290.db2.gz BROZAFODWDYUAU-PSASIEDQSA-N 0 1 324.324 1.667 10 0 DDAEMN C[C@@H](NS(=O)(=O)c1ccc(CN)s1)c1nccs1 ZINC000080315168 192023048 /nfs/dbraw/zinc/02/30/48/192023048.db2.gz JZRAKRGLNPXECY-SSDOTTSWSA-N 0 1 303.434 1.703 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N(CC)CC)n1 ZINC000080869187 192196441 /nfs/dbraw/zinc/19/64/41/192196441.db2.gz FWKOKGADMJJYGR-VIFPVBQESA-N 0 1 306.457 1.812 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000081673989 192310831 /nfs/dbraw/zinc/31/08/31/192310831.db2.gz VQOSKZKPZNLIIW-MRVPVSSYSA-N 0 1 324.233 1.713 10 0 DDAEMN N[C@]1(C(=O)Nc2cc(Cl)ccc2-n2cccn2)CCOC1 ZINC000085874317 192537950 /nfs/dbraw/zinc/53/79/50/192537950.db2.gz NJDKHXAWPRLABM-CQSZACIVSA-N 0 1 306.753 1.582 10 0 DDAEMN CS(=O)(=O)c1ccc(-c2csc([C@H]3CNCCO3)n2)cc1 ZINC000091499640 193065408 /nfs/dbraw/zinc/06/54/08/193065408.db2.gz ZHQZEBUKXASOTJ-CYBMUJFWSA-N 0 1 324.427 1.875 10 0 DDAEMN Cc1n[nH]c(CNC2CC2)c1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113761 193161091 /nfs/dbraw/zinc/16/10/91/193161091.db2.gz XEHZDDAUSXULLE-NXEZZACHSA-N 0 1 312.439 1.247 10 0 DDAEMN CCc1[nH]nc(C(=O)N(CC)C[C@@H](C)CC)c1S(N)(=O)=O ZINC000093265549 193222672 /nfs/dbraw/zinc/22/26/72/193222672.db2.gz DPESZVJYKQRMHD-VIFPVBQESA-N 0 1 316.427 1.128 10 0 DDAEMN COc1ccc([C@H](O)CNC(=O)[C@H](N)c2ccc(C)cc2)cc1 ZINC000262671526 203374974 /nfs/dbraw/zinc/37/49/74/203374974.db2.gz RUVVYLHWYQSFGQ-IAGOWNOFSA-N 0 1 314.385 1.853 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852126 193319014 /nfs/dbraw/zinc/31/90/14/193319014.db2.gz ZVFQXAZZQQIFQD-ISVAXAHUSA-N 0 1 307.379 1.258 10 0 DDAEMN CCN[C@@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301122 193358698 /nfs/dbraw/zinc/35/86/98/193358698.db2.gz BPZBQYQOYFZHKQ-SNVBAGLBSA-N 0 1 317.480 1.611 10 0 DDAEMN Cc1cc([NH2+]CC(C)(C)NS(C)(=O)=O)cc(C(=O)[O-])c1N ZINC000094695542 193391557 /nfs/dbraw/zinc/39/15/57/193391557.db2.gz QQUPDQSYDXGHGC-UHFFFAOYSA-N 0 1 315.395 1.015 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)cs1 ZINC000094457291 193370834 /nfs/dbraw/zinc/37/08/34/193370834.db2.gz YGHLASZMPXYAEG-GXSJLCMTSA-N 0 1 301.437 1.188 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)ccc1N ZINC000094457278 193371930 /nfs/dbraw/zinc/37/19/30/193371930.db2.gz CVIPJHZHAGTWFI-ZYHUDNBSSA-N 0 1 313.398 1.265 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000094789355 193398342 /nfs/dbraw/zinc/39/83/42/193398342.db2.gz RSROSRPKXHUTGW-WFASDCNBSA-N 0 1 313.467 1.155 10 0 DDAEMN CC(C)(O)CN1CCN(c2cc(F)c(Cl)cc2N)CC1 ZINC000097361978 193710860 /nfs/dbraw/zinc/71/08/60/193710860.db2.gz HWZTVEZFKYDFCL-UHFFFAOYSA-N 0 1 301.793 1.954 10 0 DDAEMN CCCN1CCN(CC(=O)Nc2ccc(N)cc2Cl)CC1 ZINC000021807928 182291720 /nfs/dbraw/zinc/29/17/20/182291720.db2.gz IKEMBBMMWGQASQ-UHFFFAOYSA-N 0 1 310.829 1.888 10 0 DDAEMN C[C@H]1CCCC[N@H+]1CCCNC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000040537619 183096419 /nfs/dbraw/zinc/09/64/19/183096419.db2.gz WYUXQLGTYRQMGY-NWDGAFQWSA-N 0 1 315.439 1.420 10 0 DDAEMN Cc1cc(C)c(NS(=O)(=O)c2cnc(NN)nc2)c(C)c1 ZINC000041071024 183162072 /nfs/dbraw/zinc/16/20/72/183162072.db2.gz ATCJQIBBDQXHDE-UHFFFAOYSA-N 0 1 307.379 1.488 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1cc(N)cs1 ZINC000041068407 183162643 /nfs/dbraw/zinc/16/26/43/183162643.db2.gz ZFLZBQOQRYWGQO-UHFFFAOYSA-N 0 1 305.469 1.539 10 0 DDAEMN C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000041564605 183202710 /nfs/dbraw/zinc/20/27/10/183202710.db2.gz BNYGJJBFPWNURD-LBPRGKRZSA-N 0 1 313.195 1.822 10 0 DDAEMN COCCNCC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000105785346 194127581 /nfs/dbraw/zinc/12/75/81/194127581.db2.gz MNEZCVHNSVLQQP-UHFFFAOYSA-N 0 1 300.742 1.301 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000105823249 194138451 /nfs/dbraw/zinc/13/84/51/194138451.db2.gz FZMKUOUXIYGUTE-HZPDHXFCSA-N 0 1 314.433 1.759 10 0 DDAEMN COCCN1CCN(Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000105913630 194168820 /nfs/dbraw/zinc/16/88/20/194168820.db2.gz FFOHZWKCHJAYFN-OAHLLOKOSA-N 0 1 302.422 1.795 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000109466547 194266474 /nfs/dbraw/zinc/26/64/74/194266474.db2.gz RLFBSYAPQXRTAZ-CYBMUJFWSA-N 0 1 306.435 1.901 10 0 DDAEMN C[C@@H](NC(=O)c1cc(Cl)c2ccccc2n1)c1nn[nH]n1 ZINC000109596386 194275944 /nfs/dbraw/zinc/27/59/44/194275944.db2.gz USXJDKJKAQDMGU-SSDOTTSWSA-N 0 1 302.725 1.892 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000109466459 194267336 /nfs/dbraw/zinc/26/73/36/194267336.db2.gz UALGCVJEUNTUFV-JTQLQIEISA-N 0 1 310.398 1.650 10 0 DDAEMN CC[N@@H+](CC(=O)NC(=O)NCCC(C)C)[C@H](C)CC(=O)[O-] ZINC000061182904 184165381 /nfs/dbraw/zinc/16/53/81/184165381.db2.gz PCFZWLKCUCQPRC-LLVKDONJSA-N 0 1 301.387 1.043 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Br)cn1 ZINC000061873013 184190670 /nfs/dbraw/zinc/19/06/70/184190670.db2.gz NLIBGYJLLIXWNY-GFCCVEGCSA-N 0 1 310.195 1.668 10 0 DDAEMN CCCNS(=O)(=O)NC[C@@H](c1cccs1)N(CC)CC ZINC000062359555 184233270 /nfs/dbraw/zinc/23/32/70/184233270.db2.gz CXZXHFKIDWYAQS-LBPRGKRZSA-N 0 1 319.496 1.965 10 0 DDAEMN COc1cccc(CN2CC[C@H]3OCCN(CC4CC4)[C@@H]3C2)n1 ZINC000503718272 257209982 /nfs/dbraw/zinc/20/99/82/257209982.db2.gz FLZIGGFPJGPBJU-IAGOWNOFSA-N 0 1 317.433 1.775 10 0 DDAEMN NC[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000008037371 406777919 /nfs/dbraw/zinc/77/79/19/406777919.db2.gz FIQDPXDHPJKUKC-HNNXBMFYSA-N 0 1 305.355 1.889 10 0 DDAEMN C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCCO1 ZINC000048840518 407108372 /nfs/dbraw/zinc/10/83/72/407108372.db2.gz PLKPTGWXJJGPCA-RDDDGLTNSA-N 0 1 309.309 1.950 10 0 DDAEMN CCCN1CCO[C@@H](CCNC(=O)c2cc3ccccn3n2)C1 ZINC000067756164 407283221 /nfs/dbraw/zinc/28/32/21/407283221.db2.gz HNOQWWDAHXLNGT-HNNXBMFYSA-N 0 1 316.405 1.565 10 0 DDAEMN COC(=O)c1cccc(OCCN2CCC[C@H](NC(C)=O)C2)c1 ZINC000067966658 407292297 /nfs/dbraw/zinc/29/22/97/407292297.db2.gz MCCOZDCPPWYYMY-HNNXBMFYSA-N 0 1 320.389 1.453 10 0 DDAEMN COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C)O2)N(C)C)c1 ZINC000124581441 407362524 /nfs/dbraw/zinc/36/25/24/407362524.db2.gz WPNGDFOLUSAUIV-KCXAZCMYSA-N 0 1 306.406 1.982 10 0 DDAEMN COC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000114062312 407535208 /nfs/dbraw/zinc/53/52/08/407535208.db2.gz CUJMLXHGPGVQKP-RDBSUJKOSA-N 0 1 306.406 1.993 10 0 DDAEMN Cn1cc([C@@H]2CCN(CC(=O)N3CCc4ccccc4C3)C2)cn1 ZINC000116321913 407742074 /nfs/dbraw/zinc/74/20/74/407742074.db2.gz MIWOIJNWRCIAJY-QGZVFWFLSA-N 0 1 324.428 1.794 10 0 DDAEMN COC(=O)CCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000116395765 407749752 /nfs/dbraw/zinc/74/97/52/407749752.db2.gz XNVZPTDTJGNWPK-MRXNPFEDSA-N 0 1 306.406 1.291 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000262233126 407773161 /nfs/dbraw/zinc/77/31/61/407773161.db2.gz QRUUMAZFEFNBJZ-OAHLLOKOSA-N 0 1 319.405 1.615 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000262263397 407777793 /nfs/dbraw/zinc/77/77/93/407777793.db2.gz JPODMFDLJDJNQA-LSDHHAIUSA-N 0 1 310.369 1.307 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000262313741 407794021 /nfs/dbraw/zinc/79/40/21/407794021.db2.gz PLIAOXGLVRTMAJ-OAHLLOKOSA-N 0 1 319.405 1.405 10 0 DDAEMN CCOCCN1CCN(C(=O)NCC2(C)COC2)C[C@@H]1CC ZINC000117050329 407809558 /nfs/dbraw/zinc/80/95/58/407809558.db2.gz CWXYOLGGQYQGRK-AWEZNQCLSA-N 0 1 313.442 1.165 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000262380675 407819947 /nfs/dbraw/zinc/81/99/47/407819947.db2.gz XTUZLJBEAVYLNX-NWDGAFQWSA-N 0 1 313.195 1.526 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262516384 407854353 /nfs/dbraw/zinc/85/43/53/407854353.db2.gz LKSFGJZKMUJGGW-KGLIPLIRSA-N 0 1 313.442 1.162 10 0 DDAEMN COCCOc1c(Cl)cccc1NC(=O)[C@H](N)COC ZINC000262587379 407874821 /nfs/dbraw/zinc/87/48/21/407874821.db2.gz VPEJQYDIOYJLCQ-SNVBAGLBSA-N 0 1 302.758 1.277 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000187697697 407880764 /nfs/dbraw/zinc/88/07/64/407880764.db2.gz QEKVRHRGYYMQIY-AWEZNQCLSA-N 0 1 315.458 1.554 10 0 DDAEMN COc1cc(C)sc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173538653 407888725 /nfs/dbraw/zinc/88/87/25/407888725.db2.gz HYQFENCBXZGMFN-LLVKDONJSA-N 0 1 322.390 1.705 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)CC2CCOCC2)C1 ZINC000262694315 407901086 /nfs/dbraw/zinc/90/10/86/407901086.db2.gz FRORGOSBGHFEKC-UHFFFAOYSA-N 0 1 324.421 1.247 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CCN1C[C@@H](C)O ZINC000174600483 407966279 /nfs/dbraw/zinc/96/62/79/407966279.db2.gz SXETXPLMVCWYAL-OLZOCXBDSA-N 0 1 322.453 1.624 10 0 DDAEMN CC(C)CC(C)(C)C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262935635 407977467 /nfs/dbraw/zinc/97/74/67/407977467.db2.gz TXVFFXXGKDPGLP-CYBMUJFWSA-N 0 1 314.426 1.303 10 0 DDAEMN CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262937959 407977921 /nfs/dbraw/zinc/97/79/21/407977921.db2.gz IODRGMIATMTUDO-FBIMIBRVSA-N 0 1 324.343 1.875 10 0 DDAEMN CCCCSCCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174322766 407932495 /nfs/dbraw/zinc/93/24/95/407932495.db2.gz KWPRSUXAZZUKRM-UONOGXRCSA-N 0 1 302.484 1.823 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)cc2)C1 ZINC000262804785 407939294 /nfs/dbraw/zinc/93/92/94/407939294.db2.gz NDUGQXIDDOWJHD-UHFFFAOYSA-N 0 1 306.362 1.363 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)c2nc(COC)no2)CCN1C[C@@H](C)O ZINC000181816644 408043680 /nfs/dbraw/zinc/04/36/80/408043680.db2.gz OYVKFYZSGMAPHY-FRRDWIJNSA-N 0 1 312.414 1.054 10 0 DDAEMN CC(=O)N1CCC(NC(=O)CN[C@@H](C)c2cccs2)CC1 ZINC000181342568 407986454 /nfs/dbraw/zinc/98/64/54/407986454.db2.gz SRECDBJDDJEGQJ-NSHDSACASA-N 0 1 309.435 1.526 10 0 DDAEMN CCCC1(CNC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000154188305 407989699 /nfs/dbraw/zinc/98/96/99/407989699.db2.gz LSAZUDMOLSVXFN-LBPRGKRZSA-N 0 1 307.398 1.776 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135309918 408001283 /nfs/dbraw/zinc/00/12/83/408001283.db2.gz TXNLYKIOGFLOPW-CABCVRRESA-N 0 1 317.437 1.436 10 0 DDAEMN COCC[C@@](C)(O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000174916962 408006958 /nfs/dbraw/zinc/00/69/58/408006958.db2.gz SNUDVRADILQUPV-NVXWUHKLSA-N 0 1 308.422 1.063 10 0 DDAEMN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000175148071 408061619 /nfs/dbraw/zinc/06/16/19/408061619.db2.gz OLXRMNJIWDZKSZ-DZGCQCFKSA-N 0 1 306.406 1.475 10 0 DDAEMN CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N[C@@H](C)C(=O)[O-])n1 ZINC000263403716 408130794 /nfs/dbraw/zinc/13/07/94/408130794.db2.gz JYYDJJMESPLMDI-GMXVVIOVSA-N 0 1 308.382 1.977 10 0 DDAEMN COCCC1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263434345 408137860 /nfs/dbraw/zinc/13/78/60/408137860.db2.gz OFACCTIMMAITGV-UHFFFAOYSA-N 0 1 324.421 1.247 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccncc3CC)CCO2)n[nH]1 ZINC000155227229 408138673 /nfs/dbraw/zinc/13/86/73/408138673.db2.gz KMNLWCLAZKEGHW-CYBMUJFWSA-N 0 1 315.377 1.538 10 0 DDAEMN CCO[C@H]1C[C@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478576 408151391 /nfs/dbraw/zinc/15/13/91/408151391.db2.gz FTKAISMCQSYDKQ-WUCCLRPBSA-N 0 1 310.438 1.861 10 0 DDAEMN CCO[C@H]1C[C@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C12CCC2 ZINC000263478576 408151397 /nfs/dbraw/zinc/15/13/97/408151397.db2.gz FTKAISMCQSYDKQ-WUCCLRPBSA-N 0 1 310.438 1.861 10 0 DDAEMN Cc1cccc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1C ZINC000263510235 408158867 /nfs/dbraw/zinc/15/88/67/408158867.db2.gz NDANGIPXFOQKDF-MRXNPFEDSA-N 0 1 306.406 1.521 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2[nH+]cnc3[n-]ncc32)C1 ZINC000263550151 408169461 /nfs/dbraw/zinc/16/94/61/408169461.db2.gz KEROMNUMSDWAPG-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN O=C([O-])C[N@H+](CC1CC1)C1CC(Nc2ncnc3n[nH]cc32)C1 ZINC000263550151 408169470 /nfs/dbraw/zinc/16/94/70/408169470.db2.gz KEROMNUMSDWAPG-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ncnc3n[nH]cc32)C1 ZINC000263550151 408169479 /nfs/dbraw/zinc/16/94/79/408169479.db2.gz KEROMNUMSDWAPG-UHFFFAOYSA-N 0 1 316.365 1.092 10 0 DDAEMN CCc1cccc(CC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000156425051 408253967 /nfs/dbraw/zinc/25/39/67/408253967.db2.gz JGBHLZCGOFUKKS-HUUCEWRRSA-N 0 1 304.434 1.705 10 0 DDAEMN CN1CCO[C@H](CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246441407 408255193 /nfs/dbraw/zinc/25/51/93/408255193.db2.gz ULLHCFBNGUADJZ-CABCVRRESA-N 0 1 323.824 1.366 10 0 DDAEMN COC(=O)CCNC(=O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000182980054 408297887 /nfs/dbraw/zinc/29/78/87/408297887.db2.gz RWHZEGAUBASJDN-QMMMGPOBSA-N 0 1 304.799 1.731 10 0 DDAEMN COC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000182998008 408304807 /nfs/dbraw/zinc/30/48/07/408304807.db2.gz LSGBPBRWPLATSU-SFYZADRCSA-N 0 1 304.799 1.730 10 0 DDAEMN O=S(=O)(c1c[nH]c2cccc(F)c21)N1CCN2CCC[C@@H]2C1 ZINC000190871790 408335575 /nfs/dbraw/zinc/33/55/75/408335575.db2.gz BSGISFOGRRMXPU-LLVKDONJSA-N 0 1 323.393 1.776 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H](C)SC)CCO2)n[nH]1 ZINC000133751032 162065247 /nfs/dbraw/zinc/06/52/47/162065247.db2.gz USRPOQVEQVEJHT-UWVGGRQHSA-N 0 1 313.427 1.202 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccsc2)CCN1C[C@H](C)O ZINC000246880260 408358813 /nfs/dbraw/zinc/35/88/13/408358813.db2.gz OLWPHZXQZONCNO-ZFWWWQNUSA-N 0 1 310.463 1.984 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nc2c(s1)COCC2 ZINC000176420584 408363846 /nfs/dbraw/zinc/36/38/46/408363846.db2.gz POUBEUBPYRCZQC-GHMZBOCLSA-N 0 1 322.434 1.916 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173523220 162344775 /nfs/dbraw/zinc/34/47/75/162344775.db2.gz DHDHDNYRZRQBBQ-AWEZNQCLSA-N 0 1 300.362 1.944 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)NCC3CCCCC3)CCO2)n[nH]1 ZINC000173657524 162353084 /nfs/dbraw/zinc/35/30/84/162353084.db2.gz MFWVLKYRXWYEOV-CQSZACIVSA-N 0 1 321.425 1.183 10 0 DDAEMN COC(=O)c1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)o1 ZINC000173677893 162355290 /nfs/dbraw/zinc/35/52/90/162355290.db2.gz HIXQVSZUOOQLKE-GFCCVEGCSA-N 0 1 306.322 1.066 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)Nc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173666547 162356014 /nfs/dbraw/zinc/35/60/14/162356014.db2.gz PHTSKLUAHDPUAP-AWEZNQCLSA-N 0 1 315.377 1.434 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000159014564 408376385 /nfs/dbraw/zinc/37/63/85/408376385.db2.gz BZXNSHPUHQTXJE-KGLIPLIRSA-N 0 1 318.483 1.292 10 0 DDAEMN CCCC[C@H](C(=O)OC)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247083108 408403122 /nfs/dbraw/zinc/40/31/22/408403122.db2.gz HCRNANXEIZONOT-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOCCN1CCN(Cc2cc(C(=O)OC)co2)C[C@H]1C ZINC000247243500 408436855 /nfs/dbraw/zinc/43/68/55/408436855.db2.gz SOJIUZZSSKKQFU-CYBMUJFWSA-N 0 1 310.394 1.609 10 0 DDAEMN COC(=O)c1cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)oc1C ZINC000177240828 408560780 /nfs/dbraw/zinc/56/07/80/408560780.db2.gz LDHFFIGZELFWEI-MLGOLLRUSA-N 0 1 322.405 1.527 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(F)c(-n2nnnc2C)c1)N(C)C ZINC000161981473 408656345 /nfs/dbraw/zinc/65/63/45/408656345.db2.gz VGFHGTAIOPEHRM-CYBMUJFWSA-N 0 1 320.372 1.779 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC2CCSCC2)CCN1C[C@@H](C)O ZINC000185012098 408737991 /nfs/dbraw/zinc/73/79/91/408737991.db2.gz SGJSODBFWDEPGV-TZMCWYRMSA-N 0 1 315.483 1.369 10 0 DDAEMN Cc1cnc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000249164659 408702164 /nfs/dbraw/zinc/70/21/64/408702164.db2.gz JWOJCBLHXJGMCL-KOLCDFICSA-N 0 1 308.407 1.085 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000190107262 163129482 /nfs/dbraw/zinc/12/94/82/163129482.db2.gz DGKZUJVTWZSOJN-GHMZBOCLSA-N 0 1 323.343 1.598 10 0 DDAEMN Cc1nc(C)c(CCC(=O)N2CCN3CCCC[C@@H]3C2)c(=O)[nH]1 ZINC000195078970 163305520 /nfs/dbraw/zinc/30/55/20/163305520.db2.gz RJZKGTJFMQANSE-CQSZACIVSA-N 0 1 318.421 1.016 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000262234725 163790894 /nfs/dbraw/zinc/79/08/94/163790894.db2.gz HGCXVGRSQLXJDH-FRRDWIJNSA-N 0 1 307.394 1.212 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)CCN1C[C@@H](C)O ZINC000492398389 287122182 /nfs/dbraw/zinc/12/21/82/287122182.db2.gz LXFYROKOKYXDKL-HAAFXLEYSA-N 0 1 319.405 1.104 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1CCC(=O)NC(=O)Nc1ccccc1 ZINC000133179514 196319114 /nfs/dbraw/zinc/31/91/14/196319114.db2.gz FMAPZDBPBFBITR-CHWSQXEVSA-N 0 1 305.378 1.834 10 0 DDAEMN C[C@H]1COC[C@H](C)N1CCC(=O)NC(=O)Nc1ccccc1 ZINC000133179323 196319121 /nfs/dbraw/zinc/31/91/21/196319121.db2.gz FMAPZDBPBFBITR-STQMWFEESA-N 0 1 305.378 1.834 10 0 DDAEMN CCc1oc(C(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)cc1C ZINC000583617788 422201238 /nfs/dbraw/zinc/20/12/38/422201238.db2.gz SBXIONFNRAHXSP-HNNXBMFYSA-N 0 1 304.350 1.392 10 0 DDAEMN CN1C[C@H](Nc2ncnc3[nH]cnc32)CC[C@H]1C(F)(F)F ZINC000583616757 422201862 /nfs/dbraw/zinc/20/18/62/422201862.db2.gz NQGDENSEFKYDEA-SFYZADRCSA-N 0 1 300.288 1.790 10 0 DDAEMN O[C@@]1(c2cn[nH]n2)CCCN(CCOc2cccc(Cl)c2)C1 ZINC000583617890 422202694 /nfs/dbraw/zinc/20/26/94/422202694.db2.gz GNVBZZQNPMLSAJ-HNNXBMFYSA-N 0 1 322.796 1.821 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2noc3c2CCCC3)C1 ZINC000583619148 422204807 /nfs/dbraw/zinc/20/48/07/422204807.db2.gz ZFCNQRCSZYLPKE-MFKMUULPSA-N 0 1 303.366 1.634 10 0 DDAEMN O=C(c1nccc2ccccc21)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000583618853 422205629 /nfs/dbraw/zinc/20/56/29/422205629.db2.gz SPIMQFLFBFRRHW-MRXNPFEDSA-N 0 1 309.329 1.087 10 0 DDAEMN CO[C@H]1C[C@@H](CN(C)C(=O)c2coc(CC3CC3)n2)N(C)C1 ZINC000583620227 422205708 /nfs/dbraw/zinc/20/57/08/422205708.db2.gz RAFFRAPDGYUGGX-STQMWFEESA-N 0 1 307.394 1.418 10 0 DDAEMN CC1CCC(=CC(=O)N2CCC[C@](O)(c3c[nH]nn3)C2)CC1 ZINC000583621357 422207744 /nfs/dbraw/zinc/20/77/44/422207744.db2.gz VXOKGNQYDYXAMI-PVQCJRHBSA-N 0 1 304.394 1.751 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCCF)[N@@H+]1Cc1ccccc1 ZINC000630650324 422240988 /nfs/dbraw/zinc/24/09/88/422240988.db2.gz OCYXWFDKQXSLRU-CABCVRRESA-N 0 1 322.380 1.970 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCCF)[N@H+]1Cc1ccccc1 ZINC000630650324 422240993 /nfs/dbraw/zinc/24/09/93/422240993.db2.gz OCYXWFDKQXSLRU-CABCVRRESA-N 0 1 322.380 1.970 10 0 DDAEMN CCCN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653434 422243416 /nfs/dbraw/zinc/24/34/16/422243416.db2.gz DCNIAEUWQHEKJM-GJZGRUSLSA-N 0 1 304.390 1.973 10 0 DDAEMN CCCN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653434 422243421 /nfs/dbraw/zinc/24/34/21/422243421.db2.gz DCNIAEUWQHEKJM-GJZGRUSLSA-N 0 1 304.390 1.973 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000637928767 422481941 /nfs/dbraw/zinc/48/19/41/422481941.db2.gz RISGFEHTLYDHLE-DRPJVOAASA-N 0 1 306.406 1.339 10 0 DDAEMN CCO[C@H]1C[C@@H](NCc2nnc3n2CCCC3)C12CCOCC2 ZINC000186504489 276362503 /nfs/dbraw/zinc/36/25/03/276362503.db2.gz FVKJEGNXWIBXFQ-KGLIPLIRSA-N 0 1 320.437 1.678 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1)C(C)C ZINC000247011085 279306604 /nfs/dbraw/zinc/30/66/04/279306604.db2.gz CEQLGAXNJJMBTB-JYJNAYRXSA-N 0 1 313.486 1.407 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000118856433 280206841 /nfs/dbraw/zinc/20/68/41/280206841.db2.gz OHACECQKJBFWNV-HZPDHXFCSA-N 0 1 311.470 1.166 10 0 DDAEMN Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122429400 281156396 /nfs/dbraw/zinc/15/63/96/281156396.db2.gz ZUDSSFRGAWDXAO-GOEBONIOSA-N 0 1 321.469 1.952 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000246737457 282011038 /nfs/dbraw/zinc/01/10/38/282011038.db2.gz GZOJSHSRDASFHU-HBNTYKKESA-N 0 1 323.397 1.675 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2CCn3ccnc3C2)n[nH]1 ZINC000328676895 293362766 /nfs/dbraw/zinc/36/27/66/293362766.db2.gz LSRFCYKDLQIWJI-STQMWFEESA-N 0 1 314.393 1.626 10 0 DDAEMN C[C@]1(C(=O)[O-])CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000263435225 300785926 /nfs/dbraw/zinc/78/59/26/300785926.db2.gz VBFJGUMXCPLIBE-NHYWBVRUSA-N 0 1 306.366 1.369 10 0 DDAEMN CCOCCN1CCN(c2ncnc3onc(C)c32)C[C@@H]1C ZINC000192451319 484122006 /nfs/dbraw/zinc/12/20/06/484122006.db2.gz PNRYWVWCNZMXJY-NSHDSACASA-N 0 1 305.382 1.473 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ncc[n-]1 ZINC000310018153 484381504 /nfs/dbraw/zinc/38/15/04/484381504.db2.gz POCWVDOJLXKAQG-LBPRGKRZSA-N 0 1 308.407 1.209 10 0 DDAEMN O=c1cc(CN2C[C@H](O)C[C@@H]2CO)c2cc3c(cc2o1)CCC3 ZINC000179171183 697434655 /nfs/dbraw/zinc/43/46/55/697434655.db2.gz OBJFUGSULJBUOQ-HUUCEWRRSA-N 0 1 315.369 1.209 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000194147816 697694084 /nfs/dbraw/zinc/69/40/84/697694084.db2.gz BDWGPJIZHUUHSW-AWEZNQCLSA-N 0 1 318.421 1.292 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2CCc3ccccc32)C1 ZINC000262860950 698481998 /nfs/dbraw/zinc/48/19/98/698481998.db2.gz ZHBAVLWLJSALNP-XUJLQICISA-N 0 1 316.401 1.770 10 0 DDAEMN Cc1cc(C)nc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263566312 698513951 /nfs/dbraw/zinc/51/39/51/698513951.db2.gz WMYSBSRQZBBNDM-UHFFFAOYSA-N 0 1 304.394 1.833 10 0 DDAEMN COCc1nc(CN[C@H]2CCCN3CCSC[C@@H]23)cs1 ZINC000720458968 699306231 /nfs/dbraw/zinc/30/62/31/699306231.db2.gz MUUDBGPLKQOUKA-STQMWFEESA-N 0 1 313.492 1.959 10 0 DDAEMN CCCCOC[C@@H](O)CNCc1cn(C)nc1Br ZINC000720679469 699308071 /nfs/dbraw/zinc/30/80/71/699308071.db2.gz CVAKWBXDZBCXAV-NSHDSACASA-N 0 1 320.231 1.450 10 0 DDAEMN COc1cc(C)c(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c(C)n1 ZINC000888076163 709209125 /nfs/dbraw/zinc/20/91/25/709209125.db2.gz BVLPJYVTETZETF-SQWLQELKSA-N 0 1 302.378 1.368 10 0 DDAEMN O[C@@H]1C[C@H](c2nc[nH]n2)C[C@@H]1CNc1ccnc(C2CC2)n1 ZINC000888078484 709210141 /nfs/dbraw/zinc/21/01/41/709210141.db2.gz VPNINXMFTVYTOV-IJLUTSLNSA-N 0 1 300.366 1.439 10 0 DDAEMN CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)N(C)C ZINC000162083119 197542119 /nfs/dbraw/zinc/54/21/19/197542119.db2.gz IXUXLZLSOFKYDF-CABCVRRESA-N 0 1 303.406 1.638 10 0 DDAEMN CCn1cnnc1[C@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328633848 231269063 /nfs/dbraw/zinc/26/90/63/231269063.db2.gz BDWIXXQYTXPKCP-GXTWGEPZSA-N 0 1 303.410 1.241 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H]1CCc2ccccc2[C@@H]1NC ZINC000081977169 192347854 /nfs/dbraw/zinc/34/78/54/192347854.db2.gz QYOCLZQPLXIJAI-HIFRSBDPSA-N 0 1 311.403 1.240 10 0 DDAEMN NN=c1cc(NCc2cc(Br)cs2)[nH]c(N)n1 ZINC000087880220 185234413 /nfs/dbraw/zinc/23/44/13/185234413.db2.gz UHGIEPXMXCPMMP-UHFFFAOYSA-N 0 1 315.200 1.781 10 0 DDAEMN CC[NH+](CC)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C=O)o1 ZINC000088541040 185255854 /nfs/dbraw/zinc/25/58/54/185255854.db2.gz DWWGVMPJJRKYPC-GFCCVEGCSA-N 0 1 316.423 1.881 10 0 DDAEMN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(CNC)o1 ZINC000088544358 185256631 /nfs/dbraw/zinc/25/66/31/185256631.db2.gz MVOZTINTPKOBPA-WDEREUQCSA-N 0 1 302.396 1.187 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2sc3nccnc3c2N)C1 ZINC000088641882 185261041 /nfs/dbraw/zinc/26/10/41/185261041.db2.gz QHIYIFLTVUINHP-VIFPVBQESA-N 0 1 305.407 1.488 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1ncc(Cl)cc1Cl ZINC000088673101 185262262 /nfs/dbraw/zinc/26/22/62/185262262.db2.gz CPQHSDCCQXXWGP-JTQLQIEISA-N 0 1 304.177 1.730 10 0 DDAEMN O=C([O-])c1cc2c([nH+]c1N[C@@H]1C=CS(=O)(=O)C1)CCCC2 ZINC000088859775 185267587 /nfs/dbraw/zinc/26/75/87/185267587.db2.gz INLSHVJEOVIGMN-SNVBAGLBSA-N 0 1 308.359 1.381 10 0 DDAEMN CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088892586 185269833 /nfs/dbraw/zinc/26/98/33/185269833.db2.gz LXSSAJYXWLQXED-UHFFFAOYSA-N 0 1 315.317 1.173 10 0 DDAEMN Cc1csc2nc(C)c(CN[C@@H]3CCC(=O)N(C)C3=O)n12 ZINC000090025489 185278849 /nfs/dbraw/zinc/27/88/49/185278849.db2.gz CMGOXHGFZLNKBC-SNVBAGLBSA-N 0 1 306.391 1.250 10 0 DDAEMN O=C1[C@H]2Cc3nc[nH]c3CN2C(=O)N1c1ccc(Cl)cc1 ZINC000082111015 192358364 /nfs/dbraw/zinc/35/83/64/192358364.db2.gz UPNKMZSHRQWVSR-GFCCVEGCSA-N 0 1 302.721 1.957 10 0 DDAEMN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN2C)cc(N)c1C ZINC000092622523 185330133 /nfs/dbraw/zinc/33/01/33/185330133.db2.gz JRMXFTWQEBDFAC-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN O=C(NCCc1ccc(Cl)cc1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092781400 185340451 /nfs/dbraw/zinc/34/04/51/185340451.db2.gz SAAHCOWTAYYWCR-CYBMUJFWSA-N 0 1 304.781 1.436 10 0 DDAEMN CCn1cnc(S(=O)(=O)Nc2cc(N)ccc2Cl)c1 ZINC000092889911 185348039 /nfs/dbraw/zinc/34/80/39/185348039.db2.gz ZEGLSDMHNDCSEW-UHFFFAOYSA-N 0 1 300.771 1.939 10 0 DDAEMN CCn1cnc(S(=O)(=O)Nc2cc(N)c(F)cc2F)c1 ZINC000092889915 185348069 /nfs/dbraw/zinc/34/80/69/185348069.db2.gz BXZFIGWKTIXDIS-UHFFFAOYSA-N 0 1 302.306 1.564 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379609116 539503145 /nfs/dbraw/zinc/50/31/45/539503145.db2.gz GPNZLWHJFZCJED-OAHLLOKOSA-N 0 1 319.405 1.767 10 0 DDAEMN CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)NCc1nnc[nH]1 ZINC000181842229 199361095 /nfs/dbraw/zinc/36/10/95/199361095.db2.gz RKTDPIMHAXEUCK-OAHLLOKOSA-N 0 1 323.397 1.601 10 0 DDAEMN COc1ccc([C@H](N)C[S@@](=O)C2CCOCC2)c(OC)c1 ZINC000084053250 192397363 /nfs/dbraw/zinc/39/73/63/192397363.db2.gz FKNMHTYCIQQKJC-SZNDQCEHSA-N 0 1 313.419 1.631 10 0 DDAEMN O=C(NCCc1nc[nH]n1)c1c(F)c(F)c(F)c(F)c1F ZINC000080605451 192171045 /nfs/dbraw/zinc/17/10/45/192171045.db2.gz BGXBXRPTFDUFIE-UHFFFAOYSA-N 0 1 306.194 1.473 10 0 DDAEMN Cc1cccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1C ZINC000262884178 186318892 /nfs/dbraw/zinc/31/88/92/186318892.db2.gz FVDOAKXCUMQEIZ-CQSZACIVSA-N 0 1 320.389 1.161 10 0 DDAEMN CCOC(=O)[C@H]1CN[C@@H](Cc2ccc(OC)cc2)C(C)(C)C1=O ZINC000039131005 352299139 /nfs/dbraw/zinc/29/91/39/352299139.db2.gz GMLGGPOLRNWDMB-GJZGRUSLSA-N 0 1 319.401 1.984 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n[nH]1 ZINC000173582746 198229635 /nfs/dbraw/zinc/22/96/35/198229635.db2.gz GQSICPMEKJAHJJ-LLVKDONJSA-N 0 1 306.391 1.571 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccc(C)c3)CCO2)n[nH]1 ZINC000173563191 198228438 /nfs/dbraw/zinc/22/84/38/198228438.db2.gz JEKGOWYRURAGIW-ZDUSSCGKSA-N 0 1 300.362 1.889 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2)[C@@H](C)C1 ZINC000173887039 198264821 /nfs/dbraw/zinc/26/48/21/198264821.db2.gz MRHLJDRVKMYLIT-JQWIXIFHSA-N 0 1 317.842 1.742 10 0 DDAEMN Cc1cc(=O)[nH]c([C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248762338 354371271 /nfs/dbraw/zinc/37/12/71/354371271.db2.gz QXMGBDOGJBGHTG-KBPBESRZSA-N 0 1 322.453 1.576 10 0 DDAEMN Cn1cnnc1[C@H]1CN(C[C@H]2CCc3ccccc3C2)CCO1 ZINC000328630346 354553381 /nfs/dbraw/zinc/55/33/81/354553381.db2.gz JHEQQAYEZODESY-WMLDXEAASA-N 0 1 312.417 1.994 10 0 DDAEMN Cc1nc2ccc(CC(=O)N3CCC(C(N)=O)CC3)cc2[nH]1 ZINC000074973985 191399677 /nfs/dbraw/zinc/39/96/77/191399677.db2.gz SZKRKOUNBIAXPX-UHFFFAOYSA-N 0 1 300.362 1.138 10 0 DDAEMN C[C@@H](O)[C@H]([NH3+])C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000080748963 192186745 /nfs/dbraw/zinc/18/67/45/192186745.db2.gz GRKNESVTAGTJQZ-RFZPGFLSSA-N 0 1 319.235 1.041 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)Cc2cc(C)on2)n1 ZINC000080868791 192196143 /nfs/dbraw/zinc/19/61/43/192196143.db2.gz ZPYZXRICDZFURI-MRVPVSSYSA-N 0 1 316.408 1.662 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2c[nH]nc2C)n1 ZINC000080868577 192197277 /nfs/dbraw/zinc/19/72/77/192197277.db2.gz MKRWMYOKMWPIIM-ZCFIWIBFSA-N 0 1 301.397 1.256 10 0 DDAEMN CC[C@H](C)C[C@H](CC)[N@@H+](CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000086736921 192598219 /nfs/dbraw/zinc/59/82/19/192598219.db2.gz JAELMLUEKZKHDW-RWMBFGLXSA-N 0 1 305.440 1.775 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091989375 193138256 /nfs/dbraw/zinc/13/82/56/193138256.db2.gz FKBZRRQURAOMNX-OLZOCXBDSA-N 0 1 312.483 1.521 10 0 DDAEMN C[NH2+]CCc1nc([O-])c(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000093163865 193209208 /nfs/dbraw/zinc/20/92/08/193209208.db2.gz BRWSEVYTZHPCQW-UHFFFAOYSA-N 0 1 324.178 1.667 10 0 DDAEMN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCS(=O)(=O)C1 ZINC000093684681 193288932 /nfs/dbraw/zinc/28/89/32/193288932.db2.gz CTGMKMODACEZLB-PSEXLTFBSA-N 0 1 301.408 1.281 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853723 193319916 /nfs/dbraw/zinc/31/99/16/193319916.db2.gz LAYWQKBXLIKQPO-HQJQHLMTSA-N 0 1 302.425 1.119 10 0 DDAEMN CCOc1ccccc1[C@@H](N)CN(C)CCS(C)(=O)=O ZINC000094298459 193357509 /nfs/dbraw/zinc/35/75/09/193357509.db2.gz KMNGXXPRQABQKE-ZDUSSCGKSA-N 0 1 300.424 1.062 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000094360984 193365800 /nfs/dbraw/zinc/36/58/00/193365800.db2.gz ULGVVLIHJKDUFI-LBPRGKRZSA-N 0 1 315.414 1.431 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000094359166 193364943 /nfs/dbraw/zinc/36/49/43/193364943.db2.gz GFOOEURLAHAJHZ-UHFFFAOYSA-N 0 1 315.414 1.431 10 0 DDAEMN Cc1cc(C(=O)NCC[N@H+](C)C2CC2)sc1/C=C/C(=O)[O-] ZINC000094538055 193378526 /nfs/dbraw/zinc/37/85/26/193378526.db2.gz PXJPIKQLPLBMLF-AATRIKPKSA-N 0 1 308.403 1.978 10 0 DDAEMN NCC[NH2+][C@@H](CC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000039715046 183021612 /nfs/dbraw/zinc/02/16/12/183021612.db2.gz LDVQRHXZWMAOOA-AWEZNQCLSA-N 0 1 301.346 1.170 10 0 DDAEMN COCCN1[C@H](C)CN(C(=O)NCc2ccccc2)C[C@H]1C ZINC000041313608 183184701 /nfs/dbraw/zinc/18/47/01/183184701.db2.gz RSYUOIOUNIAJJZ-HUUCEWRRSA-N 0 1 305.422 1.937 10 0 DDAEMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(C(N)=S)ccc1F ZINC000042428948 183269821 /nfs/dbraw/zinc/26/98/21/183269821.db2.gz WAPXREXLHPPSGU-ONGXEEELSA-N 0 1 309.410 1.546 10 0 DDAEMN C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000042706851 183299921 /nfs/dbraw/zinc/29/99/21/183299921.db2.gz ITCVBTPQUZKGEM-SSDOTTSWSA-N 0 1 304.268 1.695 10 0 DDAEMN CC(=O)N1CCC(CNC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000105312897 194095991 /nfs/dbraw/zinc/09/59/91/194095991.db2.gz GJRXVYYLJVHUKC-MRXNPFEDSA-N 0 1 322.453 1.125 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806608 194133572 /nfs/dbraw/zinc/13/35/72/194133572.db2.gz UEFWDQJRORJDID-CYBMUJFWSA-N 0 1 319.453 1.680 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2ccccc2C)C[C@H]1C ZINC000105834129 194142401 /nfs/dbraw/zinc/14/24/01/194142401.db2.gz XBIFGEVFEJJJJB-SJORKVTESA-N 0 1 322.449 1.387 10 0 DDAEMN Cc1cnn(C[C@H]2CN(CCCCCn3cccn3)CCO2)c1 ZINC000105892971 194161102 /nfs/dbraw/zinc/16/11/02/194161102.db2.gz KIBZYJRPBUVISE-QGZVFWFLSA-N 0 1 317.437 1.959 10 0 DDAEMN CCC1CCC(NC(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000106538578 194227104 /nfs/dbraw/zinc/22/71/04/194227104.db2.gz RAENTTLZTYZIKN-FHERZECASA-N 0 1 310.486 1.890 10 0 DDAEMN Cc1ccccc1CC(=O)N1CCN([C@@H](C)C(N)=S)CC1 ZINC000109457748 194264637 /nfs/dbraw/zinc/26/46/37/194264637.db2.gz PWLNNCTWBIXIMF-ZDUSSCGKSA-N 0 1 305.447 1.356 10 0 DDAEMN COCCNCc1c(Cl)cccc1N1CCNC(=O)[C@@H]1C ZINC000110662309 194348174 /nfs/dbraw/zinc/34/81/74/194348174.db2.gz AGXRPLJJCPLJBM-NSHDSACASA-N 0 1 311.813 1.401 10 0 DDAEMN CCCN1CCN(C(=O)[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000061615891 184178713 /nfs/dbraw/zinc/17/87/13/184178713.db2.gz WUAGGKDUHKXERN-CQSZACIVSA-N 0 1 305.447 1.611 10 0 DDAEMN CC[C@]1(C(=O)[O-])CCC[N@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000062877475 184257803 /nfs/dbraw/zinc/25/78/03/184257803.db2.gz XLUQIHKFJDIGFX-AWEZNQCLSA-N 0 1 311.407 1.967 10 0 DDAEMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000062877475 184257804 /nfs/dbraw/zinc/25/78/04/184257804.db2.gz XLUQIHKFJDIGFX-AWEZNQCLSA-N 0 1 311.407 1.967 10 0 DDAEMN CNc1ccccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062984650 184264737 /nfs/dbraw/zinc/26/47/37/184264737.db2.gz DCANYHDANIUGMI-ZDUSSCGKSA-N 0 1 309.435 1.587 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000154932341 197006471 /nfs/dbraw/zinc/00/64/71/197006471.db2.gz QSOCKOFVJXJVCH-NSHDSACASA-N 0 1 320.817 1.945 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2c(Cl)nc3ccccn32)C[C@@H]1C ZINC000120581122 195194519 /nfs/dbraw/zinc/19/45/19/195194519.db2.gz LRFACUFXNHUZQL-QWHCGFSZSA-N 0 1 322.840 1.875 10 0 DDAEMN COc1ccsc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000120616323 195202865 /nfs/dbraw/zinc/20/28/65/195202865.db2.gz WKSWAFFDFSLAFD-WDEREUQCSA-N 0 1 316.448 1.614 10 0 DDAEMN CN(C)C(=O)COC[C@]12CCC[C@H]1CN(Cc1nccs1)C2 ZINC000247969848 257112955 /nfs/dbraw/zinc/11/29/55/257112955.db2.gz HHDFDTYKMYRVGH-XJKSGUPXSA-N 0 1 323.462 1.850 10 0 DDAEMN O[C@H](COC1CCOCC1)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121024497 195281226 /nfs/dbraw/zinc/28/12/26/195281226.db2.gz FGEGWUSUYVZHJI-GOEBONIOSA-N 0 1 309.410 1.493 10 0 DDAEMN CCC(=O)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000125427539 195748398 /nfs/dbraw/zinc/74/83/98/195748398.db2.gz TVTTUSKPSDIKSR-HOTGVXAUSA-N 0 1 317.433 1.286 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCOC2(CCC2)C1 ZINC000128192956 195943309 /nfs/dbraw/zinc/94/33/09/195943309.db2.gz SKINLQIZHYNOEV-MRXNPFEDSA-N 0 1 302.418 1.941 10 0 DDAEMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2[nH]nnc2c1 ZINC000124133192 407349406 /nfs/dbraw/zinc/34/94/06/407349406.db2.gz CORIPKYIJJKVEZ-NSHDSACASA-N 0 1 311.349 1.377 10 0 DDAEMN CN(C)C(=O)CCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106910876 407366102 /nfs/dbraw/zinc/36/61/02/407366102.db2.gz VWRWGPQAUJPYLQ-OAHLLOKOSA-N 0 1 305.422 1.144 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCOC2(CCC2)C1 ZINC000128192711 407507995 /nfs/dbraw/zinc/50/79/95/407507995.db2.gz SKINLQIZHYNOEV-INIZCTEOSA-N 0 1 302.418 1.941 10 0 DDAEMN O=C(c1cc(=O)[nH]c(C2CC2)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000186299073 407632179 /nfs/dbraw/zinc/63/21/79/407632179.db2.gz PJIWKCUKZMTWOG-CYBMUJFWSA-N 0 1 313.361 1.738 10 0 DDAEMN COc1c(CN[C@H](C)CNC(=O)OC(C)(C)C)c(C)nn1C ZINC000227689863 407634627 /nfs/dbraw/zinc/63/46/27/407634627.db2.gz IAVCEAAULYTWNE-SNVBAGLBSA-N 0 1 312.414 1.740 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC3(C4CC4)CC3)CCO2)n[nH]1 ZINC000152254521 407593922 /nfs/dbraw/zinc/59/39/22/407593922.db2.gz LJTVNIIMCYGXIU-LBPRGKRZSA-N 0 1 319.409 1.640 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000262168606 407757752 /nfs/dbraw/zinc/75/77/52/407757752.db2.gz ANLYKSWXQXONML-OAHLLOKOSA-N 0 1 301.346 1.573 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2ccc(OC)cc2)CCCCC1 ZINC000262237556 407771835 /nfs/dbraw/zinc/77/18/35/407771835.db2.gz HLMRGDFLKMFEGD-MRXNPFEDSA-N 0 1 320.433 1.987 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000262263395 407778560 /nfs/dbraw/zinc/77/85/60/407778560.db2.gz JPODMFDLJDJNQA-HUUCEWRRSA-N 0 1 310.369 1.307 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000262304391 407790053 /nfs/dbraw/zinc/79/00/53/407790053.db2.gz OHDPVAKQIXQMLB-ZFWWWQNUSA-N 0 1 322.405 1.000 10 0 DDAEMN CCOc1cnc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cn1 ZINC000187474387 407860858 /nfs/dbraw/zinc/86/08/58/407860858.db2.gz KIBBFHAQTWBBGE-LLVKDONJSA-N 0 1 302.338 1.361 10 0 DDAEMN C[C@@H]1CC[C@H](CC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000262675800 407898181 /nfs/dbraw/zinc/89/81/81/407898181.db2.gz AIRULIMRHDMKPJ-RDBSUJKOSA-N 0 1 312.410 1.057 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2ccccn2)C1 ZINC000262717592 407907893 /nfs/dbraw/zinc/90/78/93/407907893.db2.gz OFCNFXBPYUYGFA-UHFFFAOYSA-N 0 1 303.362 1.139 10 0 DDAEMN COc1c(CNC(=O)N2CCN3CCCC[C@H]3C2)c(C)nn1C ZINC000153833778 407913391 /nfs/dbraw/zinc/91/33/91/407913391.db2.gz NWODYVFQYOLEKE-ZDUSSCGKSA-N 0 1 321.425 1.117 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccccc2F)C1 ZINC000262900357 407962576 /nfs/dbraw/zinc/96/25/76/407962576.db2.gz CULXJVUDQRRRIZ-UHFFFAOYSA-N 0 1 323.368 1.562 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CSc2ccccc2)C1 ZINC000262762125 407919790 /nfs/dbraw/zinc/91/97/90/407919790.db2.gz ZZPHXCPNQUFVFP-UHFFFAOYSA-N 0 1 322.430 1.832 10 0 DDAEMN COCc1noc(CN2CC[C@H](CNc3cccc(C)n3)C2)n1 ZINC000182329517 408128057 /nfs/dbraw/zinc/12/80/57/408128057.db2.gz ALLTUXHIHICTPJ-CYBMUJFWSA-N 0 1 317.393 1.853 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@@H]2CCCCO2)C[C@H]1CC ZINC000155237699 408143393 /nfs/dbraw/zinc/14/33/93/408143393.db2.gz QKUFQBYQMMAJEI-CVEARBPZSA-N 0 1 312.454 1.905 10 0 DDAEMN Cc1nnc2n1C[C@H](C(=O)[O-])[N@H+](C[C@H](C)Cc1ccccc1)C2 ZINC000263532475 408164101 /nfs/dbraw/zinc/16/41/01/408164101.db2.gz XGVZOAMOKWHDKU-IUODEOHRSA-N 0 1 314.389 1.734 10 0 DDAEMN Cc1nnc2n1C[C@H](C(=O)[O-])[N@@H+](C[C@H](C)Cc1ccccc1)C2 ZINC000263532475 408164107 /nfs/dbraw/zinc/16/41/07/408164107.db2.gz XGVZOAMOKWHDKU-IUODEOHRSA-N 0 1 314.389 1.734 10 0 DDAEMN CN(C)c1nc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000263564960 408175414 /nfs/dbraw/zinc/17/54/14/408175414.db2.gz VFJIFHCMZFGQMM-HTQZYQBOSA-N 0 1 304.272 1.242 10 0 DDAEMN CC[C@@H]1CN(Cc2ncnn2CC(C)C)CCN1CCOC ZINC000182751860 408239599 /nfs/dbraw/zinc/23/95/99/408239599.db2.gz RPCOPLIORIRRCF-OAHLLOKOSA-N 0 1 309.458 1.477 10 0 DDAEMN CC[C@@H]1CN([C@H](C(=O)OC)c2cccnc2)CCN1C[C@H](C)O ZINC000246524141 408280848 /nfs/dbraw/zinc/28/08/48/408280848.db2.gz VEMTZKBSEWYESA-IMJJTQAJSA-N 0 1 321.421 1.073 10 0 DDAEMN Cc1ccc(CCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246617205 408304860 /nfs/dbraw/zinc/30/48/60/408304860.db2.gz CTRYWVZKZRYWSG-CVEARBPZSA-N 0 1 304.434 1.841 10 0 DDAEMN N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1 ZINC000131597832 162017738 /nfs/dbraw/zinc/01/77/38/162017738.db2.gz BGPZXNNRPBACPL-GFCCVEGCSA-N 0 1 300.387 1.811 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171485451 162222553 /nfs/dbraw/zinc/22/25/53/162222553.db2.gz QJOJAPSXZIFSCK-KGLIPLIRSA-N 0 1 319.453 1.707 10 0 DDAEMN COC[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000183217849 408357358 /nfs/dbraw/zinc/35/73/58/408357358.db2.gz UXTPUDFPEKOYDI-FZMZJTMJSA-N 0 1 308.332 1.848 10 0 DDAEMN O[C@@H](CN1CCC[C@@H](n2cncn2)C1)c1cc(F)ccc1F ZINC000247006017 408384252 /nfs/dbraw/zinc/38/42/52/408384252.db2.gz BTPLALGUADSLJH-DOMZBBRYSA-N 0 1 308.332 1.927 10 0 DDAEMN Cc1nc(CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)no1 ZINC000183354806 408386726 /nfs/dbraw/zinc/38/67/26/408386726.db2.gz TZDAARWIPFRZFJ-AWEZNQCLSA-N 0 1 302.378 1.509 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1 ZINC000173557624 162348937 /nfs/dbraw/zinc/34/89/37/162348937.db2.gz FTQDPFQGMQKMGK-NEPJUHHUSA-N 0 1 310.398 1.472 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(COC)o3)CCO2)n[nH]1 ZINC000173570300 162349382 /nfs/dbraw/zinc/34/93/82/162349382.db2.gz WKWINDXLXGBJRG-LBPRGKRZSA-N 0 1 320.349 1.320 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000173557646 162349984 /nfs/dbraw/zinc/34/99/84/162349984.db2.gz FTQDPFQGMQKMGK-VXGBXAGGSA-N 0 1 310.398 1.472 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)Nc3cccc(F)c3)CCO2)n[nH]1 ZINC000173657567 162352927 /nfs/dbraw/zinc/35/29/27/162352927.db2.gz MUPDIYGORNCHCB-ZDUSSCGKSA-N 0 1 319.340 1.264 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173667382 162356467 /nfs/dbraw/zinc/35/64/67/162356467.db2.gz WFHNVMWHKGUAHR-NSHDSACASA-N 0 1 310.789 1.382 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247140999 408416370 /nfs/dbraw/zinc/41/63/70/408416370.db2.gz KZNXKYYHOXHOIQ-JYJNAYRXSA-N 0 1 313.486 1.266 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC000247140547 408416425 /nfs/dbraw/zinc/41/64/25/408416425.db2.gz KYKZVSFOHCHXDB-CABCVRRESA-N 0 1 311.470 1.164 10 0 DDAEMN CCc1nnc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000176958104 408484258 /nfs/dbraw/zinc/48/42/58/408484258.db2.gz FBDYCZHSMYAVLN-QMMMGPOBSA-N 0 1 323.382 1.132 10 0 DDAEMN COc1c(C)cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1C ZINC000247597832 408498088 /nfs/dbraw/zinc/49/80/88/408498088.db2.gz SVDSBEPMQGCQHG-AWEZNQCLSA-N 0 1 324.446 1.781 10 0 DDAEMN O=S(=O)(CCc1cccs1)N1CCN2CCC[C@H]2C1 ZINC000248658261 408611937 /nfs/dbraw/zinc/61/19/37/408611937.db2.gz FZKNYQHGUCYZSX-LBPRGKRZSA-N 0 1 300.449 1.400 10 0 DDAEMN O=C1OCC[C@@H]1CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177664550 408681182 /nfs/dbraw/zinc/68/11/82/408681182.db2.gz ZBEKURCHFGQDJN-IRXDYDNUSA-N 0 1 318.417 1.291 10 0 DDAEMN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN2CCCC[C@H]2C1 ZINC000250244873 408777247 /nfs/dbraw/zinc/77/72/47/408777247.db2.gz VZLZCBAAMDDNRS-ZBFHGGJFSA-N 0 1 319.449 1.474 10 0 DDAEMN CCN(CC)[C@H](C(=O)N1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189234561 163090276 /nfs/dbraw/zinc/09/02/76/163090276.db2.gz OWGFKGJFOOBTAP-ZBFHGGJFSA-N 0 1 317.433 1.807 10 0 DDAEMN COCCN1CCCN(C[C@](C)(O)c2ccccc2)CC1=O ZINC000190784159 163158335 /nfs/dbraw/zinc/15/83/35/163158335.db2.gz ZCQNFXZBQSMJFR-KRWDZBQOSA-N 0 1 306.406 1.075 10 0 DDAEMN O=C(NCC(=O)N1CC[N@H+]2CCCC[C@H]2C1)NC1CCCCC1 ZINC000195049052 163304127 /nfs/dbraw/zinc/30/41/27/163304127.db2.gz BAGPIGPHNWGKLN-HNNXBMFYSA-N 0 1 322.453 1.315 10 0 DDAEMN O=C(NCC(=O)N1CCN2CCCC[C@H]2C1)NC1CCCCC1 ZINC000195049052 163304128 /nfs/dbraw/zinc/30/41/28/163304128.db2.gz BAGPIGPHNWGKLN-HNNXBMFYSA-N 0 1 322.453 1.315 10 0 DDAEMN CC(C)C(=O)N1CCC(C(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000195065462 163306467 /nfs/dbraw/zinc/30/64/67/163306467.db2.gz CUUDYCDMWSPYJA-MRXNPFEDSA-N 0 1 321.465 1.578 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 ZINC000262384347 163818945 /nfs/dbraw/zinc/81/89/45/163818945.db2.gz YFZZTFHGJRYUNM-CYBMUJFWSA-N 0 1 318.333 1.148 10 0 DDAEMN O=C([C@H]1CCCc2[nH]ncc21)N1CCO[C@H](c2nccs2)C1 ZINC000134321105 196379174 /nfs/dbraw/zinc/37/91/74/196379174.db2.gz KRUQFDQPYKRDFL-GWCFXTLKSA-N 0 1 318.402 1.886 10 0 DDAEMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1 ZINC000386815540 418741198 /nfs/dbraw/zinc/74/11/98/418741198.db2.gz SMDYDUNCMSDUPH-LSDHHAIUSA-N 0 1 316.401 1.878 10 0 DDAEMN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000344868136 272132905 /nfs/dbraw/zinc/13/29/05/272132905.db2.gz XCCBPFSWSLBOPJ-UONOGXRCSA-N 0 1 316.361 1.348 10 0 DDAEMN CC(=O)N1CC[C@@H](C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)C1 ZINC000328748653 277001195 /nfs/dbraw/zinc/00/11/95/277001195.db2.gz QOTJQVQBZCQEJW-CHWSQXEVSA-N 0 1 305.382 1.035 10 0 DDAEMN COc1cccc(-c2noc(N3C[C@H]4OCCN(C)[C@H]4C3)n2)c1 ZINC000153194681 278006634 /nfs/dbraw/zinc/00/66/34/278006634.db2.gz NPGNJYAHVUPDLA-UONOGXRCSA-N 0 1 316.361 1.264 10 0 DDAEMN CCN(C)[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000171480673 279043026 /nfs/dbraw/zinc/04/30/26/279043026.db2.gz PJQYBKYEXGOQFG-HZPDHXFCSA-N 0 1 305.422 1.126 10 0 DDAEMN CCN(C)[C@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000171480668 279045558 /nfs/dbraw/zinc/04/55/58/279045558.db2.gz PJQYBKYEXGOQFG-CVEARBPZSA-N 0 1 305.422 1.126 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2Cc3ccccc3C2)C1 ZINC000263444041 279058772 /nfs/dbraw/zinc/05/87/72/279058772.db2.gz FIBQWWRIFWOFKD-UHFFFAOYSA-N 0 1 317.389 1.649 10 0 DDAEMN CCCn1cc(CN[C@H]2CCCN(c3ncc[nH]c3=O)C2)cn1 ZINC000328628660 528846794 /nfs/dbraw/zinc/84/67/94/528846794.db2.gz HLLWGKSVWQZZMH-AWEZNQCLSA-N 0 1 316.409 1.547 10 0 DDAEMN CC(C)COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000125314294 696752144 /nfs/dbraw/zinc/75/21/44/696752144.db2.gz KUKWSQOYSVVBGV-HOCLYGCPSA-N 0 1 320.433 1.863 10 0 DDAEMN CCN1CCC[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000172609959 697369655 /nfs/dbraw/zinc/36/96/55/697369655.db2.gz NGUYKKAFWYUCOV-FKIZINRSSA-N 0 1 303.472 1.317 10 0 DDAEMN COc1ccc([C@H](C)NCC(=O)N2CCO[C@@H](C)C2)cc1OC ZINC000180884043 697453116 /nfs/dbraw/zinc/45/31/16/697453116.db2.gz KVAFNVJOPPXKNW-STQMWFEESA-N 0 1 322.405 1.602 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555841 697757436 /nfs/dbraw/zinc/75/74/36/697757436.db2.gz WYRXLWGVRXMSNV-GOEBONIOSA-N 0 1 313.401 1.250 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000262220324 698459770 /nfs/dbraw/zinc/45/97/70/698459770.db2.gz FQXLRNCNFUPSIR-KCJUWKMLSA-N 0 1 306.284 1.736 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCSC[C@H]2C)C1 ZINC000262949076 698485680 /nfs/dbraw/zinc/48/56/80/698485680.db2.gz AQAHGPFLGFWVKB-VOMCLLRMSA-N 0 1 315.439 1.071 10 0 DDAEMN OCc1cn([C@@H]2CCCC[C@@H]2NCc2nnc(C3CC3)[nH]2)nn1 ZINC000886056862 708690126 /nfs/dbraw/zinc/69/01/26/708690126.db2.gz ZZQMWCAJJGJAJG-QWHCGFSZSA-N 0 1 317.397 1.039 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccon3)C2)ccn1 ZINC000886095363 708697327 /nfs/dbraw/zinc/69/73/27/708697327.db2.gz TWQJAMSBMUXJQZ-AWEZNQCLSA-N 0 1 316.361 1.425 10 0 DDAEMN CCO[C@@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)c1ccccc1 ZINC000900394624 709574611 /nfs/dbraw/zinc/57/46/11/709574611.db2.gz VZWIURYTDPQGKX-QWHCGFSZSA-N 0 1 301.350 1.641 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000900870235 709799827 /nfs/dbraw/zinc/79/98/27/709799827.db2.gz KAVIVSAAXAPDRM-KMFMINBZSA-N 0 1 306.406 1.163 10 0 DDAEMN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C(=O)[O-])cc2)[N@@H+](C)C1 ZINC000910689708 710048999 /nfs/dbraw/zinc/04/89/99/710048999.db2.gz TZKIXQFQQWXRAL-KBPBESRZSA-N 0 1 306.362 1.176 10 0 DDAEMN Cc1nnc([C@]23CCC[C@H]2CN(c2ccncc2C(N)=O)C3)o1 ZINC000912380609 711302658 /nfs/dbraw/zinc/30/26/58/711302658.db2.gz AUSIWTBQXWLILT-ZBEGNZNMSA-N 0 1 313.361 1.430 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1 ZINC000074643998 185005651 /nfs/dbraw/zinc/00/56/51/185005651.db2.gz ZWPYMNDASGRJRV-UHFFFAOYSA-N 0 1 314.389 1.998 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)CSC)CCN1C[C@H](C)O ZINC000248504955 282088178 /nfs/dbraw/zinc/08/81/78/282088178.db2.gz VWIJGVRLOAHECD-FRRDWIJNSA-N 0 1 303.472 1.225 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1C(F)(F)F ZINC000074731539 185013952 /nfs/dbraw/zinc/01/39/52/185013952.db2.gz RLLIVUQCVDXHCT-UHFFFAOYSA-N 0 1 313.235 1.263 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(SC)CC2)CCN1C[C@H](C)O ZINC000248646016 282096501 /nfs/dbraw/zinc/09/65/01/282096501.db2.gz GVSAPUJCLRNABH-STQMWFEESA-N 0 1 315.483 1.369 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCCO2 ZINC000081924648 192339445 /nfs/dbraw/zinc/33/94/45/192339445.db2.gz OIRVPXSCKLKLQW-CYBMUJFWSA-N 0 1 313.419 1.933 10 0 DDAEMN Cn1ncc2c1nc(CSc1ncccc1Cl)nc2NN ZINC000079449561 185172186 /nfs/dbraw/zinc/17/21/86/185172186.db2.gz PCZWNKPUKZODHM-UHFFFAOYSA-N 0 1 321.797 1.990 10 0 DDAEMN O=C(Cc1ccn[nH]1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176435133 539229342 /nfs/dbraw/zinc/22/93/42/539229342.db2.gz TWMMAADUCADNOD-ZDUSSCGKSA-N 0 1 314.393 1.634 10 0 DDAEMN C[C@@H](NC(=O)CN[C@@H](C)c1cccc(Cl)c1)C(=O)N(C)C ZINC000181410379 539237868 /nfs/dbraw/zinc/23/78/68/539237868.db2.gz WHMKRGRWPXILJH-WDEREUQCSA-N 0 1 311.813 1.584 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NCCc1ccccc1C)C(C)C ZINC000183677051 539243058 /nfs/dbraw/zinc/24/30/58/539243058.db2.gz YSMNSBWTHSWYON-MRXNPFEDSA-N 0 1 305.422 1.014 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N(C)c2ccccc2OC)o1 ZINC000088544214 185256816 /nfs/dbraw/zinc/25/68/16/185256816.db2.gz CLWYTPHVQNLXNG-UHFFFAOYSA-N 0 1 310.375 1.833 10 0 DDAEMN NS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H]2n2ccnc2)o1 ZINC000088539144 185255292 /nfs/dbraw/zinc/25/52/92/185255292.db2.gz RDJLYOCGMGMHMM-VXGBXAGGSA-N 0 1 310.379 1.007 10 0 DDAEMN COC[C@H](C)N(C)S(=O)(=O)c1ccc(CNC(C)C)o1 ZINC000088544147 185256657 /nfs/dbraw/zinc/25/66/57/185256657.db2.gz KCLLYEILBPWRPI-NSHDSACASA-N 0 1 304.412 1.433 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccccc1Br ZINC000088752529 185264144 /nfs/dbraw/zinc/26/41/44/185264144.db2.gz WXGUQVOLOQSVEV-UHFFFAOYSA-N 0 1 316.180 1.651 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC[C@@H]2Cc3ccccc32)C[C@H]1C ZINC000248654385 539272337 /nfs/dbraw/zinc/27/23/37/539272337.db2.gz VVUPQFQACVYLOT-YCPHGPKFSA-N 0 1 317.433 1.423 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000082004576 192353559 /nfs/dbraw/zinc/35/35/59/192353559.db2.gz UMOUKPQWLXZPQX-YGRLFVJLSA-N 0 1 315.391 1.061 10 0 DDAEMN CN[C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CCOC ZINC000092388666 185315441 /nfs/dbraw/zinc/31/54/41/185315441.db2.gz JRCXZBAELKCJKX-GJZGRUSLSA-N 0 1 313.419 1.332 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2ccnc(Cl)c2)C[C@H]1C ZINC000255217355 282241305 /nfs/dbraw/zinc/24/13/05/282241305.db2.gz XMFHZSZZRSYKJO-JXLSXLBDSA-N 0 1 323.824 1.662 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N(Cc1ccsc1)C1CC1 ZINC000092781163 185340075 /nfs/dbraw/zinc/34/00/75/185340075.db2.gz ZOXQKGSBYUFBLL-CYBMUJFWSA-N 0 1 302.403 1.677 10 0 DDAEMN CC[C@H](C)NC(=O)Cn1c2ccc(OC)cc2nc1[C@@H](C)N ZINC000071667930 191001988 /nfs/dbraw/zinc/00/19/88/191001988.db2.gz QYIYTLXHWQTDPU-WDEREUQCSA-N 0 1 304.394 1.979 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000173273058 198205063 /nfs/dbraw/zinc/20/50/63/198205063.db2.gz FQCZHPNOJBERSK-CJNGLKHVSA-N 0 1 323.412 1.812 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@@H]3c3ccncc3)[C@@H](O)[C@@H]2O1 ZINC000106403347 353939110 /nfs/dbraw/zinc/93/91/10/353939110.db2.gz WHVZNXODCFBFHL-DGXTUMSLSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccncc3)[C@@H](O)[C@@H]2O1 ZINC000106403347 353939112 /nfs/dbraw/zinc/93/91/12/353939112.db2.gz WHVZNXODCFBFHL-DGXTUMSLSA-N 0 1 320.389 1.456 10 0 DDAEMN CNS(=O)(=O)c1ccccc1NC(=O)c1cc(Cl)[nH]n1 ZINC000137134500 354118379 /nfs/dbraw/zinc/11/83/79/354118379.db2.gz CBCLKRJOKQDMKS-UHFFFAOYSA-N 0 1 314.754 1.224 10 0 DDAEMN COc1ccccc1CCNC(=O)c1[nH]c(=O)nc2ccccc21 ZINC000074743571 191354024 /nfs/dbraw/zinc/35/40/24/191354024.db2.gz IBJQOLVGULZBTE-UHFFFAOYSA-N 0 1 323.352 1.904 10 0 DDAEMN COc1c(Cl)ccc(Cl)c1C(=O)NCc1nn[nH]n1 ZINC000074803868 191363543 /nfs/dbraw/zinc/36/35/43/191363543.db2.gz OMGNFNWSXQKACU-UHFFFAOYSA-N 0 1 302.121 1.445 10 0 DDAEMN CNCc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)ccc1F ZINC000088962701 192671656 /nfs/dbraw/zinc/67/16/56/192671656.db2.gz ISZXMICWDQCGKI-JTQLQIEISA-N 0 1 300.399 1.964 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(CC)ccn3)CCO2)n[nH]1 ZINC000180274294 199140609 /nfs/dbraw/zinc/14/06/09/199140609.db2.gz INHFJVVXJGJKQX-ZDUSSCGKSA-N 0 1 315.377 1.538 10 0 DDAEMN COc1ccc([C@H](O)CNC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000195246232 201364969 /nfs/dbraw/zinc/36/49/69/201364969.db2.gz UPWKXMAODIIAGE-SJLPKXTDSA-N 0 1 314.385 1.719 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000621833454 365050294 /nfs/dbraw/zinc/05/02/94/365050294.db2.gz OCIBJJJKXOUKSN-HNNXBMFYSA-N 0 1 319.405 1.623 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(CO)cc1F ZINC000092115358 193163467 /nfs/dbraw/zinc/16/34/67/193163467.db2.gz SSLWAYNBMDXMAU-LBPRGKRZSA-N 0 1 316.398 1.033 10 0 DDAEMN C[C@H](N)c1nc(-c2nc([C@@H]3CN(C)CCN3C)no2)cs1 ZINC000093892790 193323852 /nfs/dbraw/zinc/32/38/52/193323852.db2.gz PAWGHKHUTOLLOY-WPRPVWTQSA-N 0 1 308.411 1.131 10 0 DDAEMN CC[N@H+]1CC[C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094225035 193351441 /nfs/dbraw/zinc/35/14/41/193351441.db2.gz FJRCQQSQTRKZFV-KWQFWETISA-N 0 1 311.304 1.033 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000094638361 193388290 /nfs/dbraw/zinc/38/82/90/193388290.db2.gz OAKSETRRPAMGFA-JHJVBQTASA-N 0 1 303.424 1.671 10 0 DDAEMN NCC(=O)NCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094670431 193390565 /nfs/dbraw/zinc/39/05/65/193390565.db2.gz UZMKSGAQZASOIZ-UHFFFAOYSA-N 0 1 320.574 1.116 10 0 DDAEMN CC(C)N(CCNC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000020298709 182204056 /nfs/dbraw/zinc/20/40/56/182204056.db2.gz SJYWJPWKXCVIAX-UHFFFAOYSA-N 0 1 309.435 1.844 10 0 DDAEMN CN1C(=O)Cc2cc(NS(=O)(=O)c3cccnc3)ccc21 ZINC000038706443 183007069 /nfs/dbraw/zinc/00/70/69/183007069.db2.gz JSKVJZYLWJGDHJ-UHFFFAOYSA-N 0 1 303.343 1.401 10 0 DDAEMN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CCC2(O)CC2)C1 ZINC000333501270 249003827 /nfs/dbraw/zinc/00/38/27/249003827.db2.gz NZVPYTFLLRGZFW-CQSZACIVSA-N 0 1 316.467 1.228 10 0 DDAEMN CC1CCN(CCNS(=O)(=O)c2ccc(F)c(N)c2)CC1 ZINC000040771065 183131190 /nfs/dbraw/zinc/13/11/90/183131190.db2.gz KMYZZYZTKDFZFQ-UHFFFAOYSA-N 0 1 315.414 1.418 10 0 DDAEMN CCn1cnnc1C1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000105929452 194172269 /nfs/dbraw/zinc/17/22/69/194172269.db2.gz HKLLXAWOILIYKD-GFCCVEGCSA-N 0 1 307.442 1.781 10 0 DDAEMN Cc1nc(S(=O)(=O)Nc2cc(N)ccc2Cl)cn1C ZINC000050252773 183779843 /nfs/dbraw/zinc/77/98/43/183779843.db2.gz AGUNTGNZQLIUNE-UHFFFAOYSA-N 0 1 300.771 1.765 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(Cl)cc1N)N1CCN(C)[C@@H](C)C1 ZINC000110699964 194352141 /nfs/dbraw/zinc/35/21/41/194352141.db2.gz ZCUYXJYMFXDPQD-QWRGUYRKSA-N 0 1 310.829 1.885 10 0 DDAEMN O=C(CN[C@H]1CCC(=O)NC1)Nc1c(Cl)cccc1Cl ZINC000111020203 194384248 /nfs/dbraw/zinc/38/42/48/194384248.db2.gz FBAKXRUXTLSLNQ-QMMMGPOBSA-N 0 1 316.188 1.800 10 0 DDAEMN CCC[NH2+][C@H](CCSc1nc(CCC)cc(=O)[n-]1)C(N)=O ZINC000062599168 184245067 /nfs/dbraw/zinc/24/50/67/184245067.db2.gz PSMJVUKOGDBBMJ-LLVKDONJSA-N 0 1 312.439 1.058 10 0 DDAEMN Cc1nc([C@@H]2C[C@H]3CCN(C(=O)C4CCOCC4)C[C@@H]3O2)n[nH]1 ZINC000248018837 257110884 /nfs/dbraw/zinc/11/08/84/257110884.db2.gz IGDOAPZJUPPJOY-RDBSUJKOSA-N 0 1 320.393 1.218 10 0 DDAEMN CC(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000098051547 407305190 /nfs/dbraw/zinc/30/51/90/407305190.db2.gz QXISUCCBGHTIKK-CYBMUJFWSA-N 0 1 315.377 1.073 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106910260 407366658 /nfs/dbraw/zinc/36/66/58/407366658.db2.gz REVZNDOJNAWPMA-DLBZAZTESA-N 0 1 303.450 1.760 10 0 DDAEMN COC(=O)CSCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106918279 407367102 /nfs/dbraw/zinc/36/71/02/407367102.db2.gz HEXFJEMQRPDRKD-CQSZACIVSA-N 0 1 324.446 1.182 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)NC[C@@H]2CCCO2)C12CCCC2 ZINC000125649619 407394117 /nfs/dbraw/zinc/39/41/17/407394117.db2.gz UAFVQNBDDFZGBI-HRCADAONSA-N 0 1 324.465 1.951 10 0 DDAEMN COc1ccc(CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240188 407440741 /nfs/dbraw/zinc/44/07/41/407440741.db2.gz OPDXYRYPOCBBCU-GFCCVEGCSA-N 0 1 300.362 1.277 10 0 DDAEMN COc1ccc(CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240188 407440744 /nfs/dbraw/zinc/44/07/44/407440744.db2.gz OPDXYRYPOCBBCU-GFCCVEGCSA-N 0 1 300.362 1.277 10 0 DDAEMN COC(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240854 407441031 /nfs/dbraw/zinc/44/10/31/407441031.db2.gz YOWFAYDVCCFKET-SNVBAGLBSA-N 0 1 300.318 1.335 10 0 DDAEMN COC(=O)c1ccc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240854 407441036 /nfs/dbraw/zinc/44/10/36/407441036.db2.gz YOWFAYDVCCFKET-SNVBAGLBSA-N 0 1 300.318 1.335 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000170807383 407512172 /nfs/dbraw/zinc/51/21/72/407512172.db2.gz RLKAUJRFMRZDCH-JSGCOSHPSA-N 0 1 303.410 1.041 10 0 DDAEMN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000170873580 407540145 /nfs/dbraw/zinc/54/01/45/407540145.db2.gz LCSRISAXHAATII-GFCCVEGCSA-N 0 1 302.827 1.973 10 0 DDAEMN CCc1ccc(CC(=O)N2CCC([N@@H+](C)CC(=O)[O-])CC2)cc1 ZINC000186624064 407724865 /nfs/dbraw/zinc/72/48/65/407724865.db2.gz CCNNCYIUCOCINJ-UHFFFAOYSA-N 0 1 318.417 1.799 10 0 DDAEMN COC[C@H](N)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000262062253 407728544 /nfs/dbraw/zinc/72/85/44/407728544.db2.gz ISIPHGWBZFWMOX-LBPRGKRZSA-N 0 1 317.393 1.681 10 0 DDAEMN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@H](N)COC)n2)cc1 ZINC000262168106 407756648 /nfs/dbraw/zinc/75/66/48/407756648.db2.gz AMBIPIKLLVUWRP-ZWNOBZJWSA-N 0 1 318.377 1.450 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccn(Cc2ccncc2)n1)N(C)C ZINC000179137400 407734013 /nfs/dbraw/zinc/73/40/13/407734013.db2.gz YEMIYXQURQXVOZ-CQSZACIVSA-N 0 1 301.394 1.995 10 0 DDAEMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116310682 407741210 /nfs/dbraw/zinc/74/12/10/407741210.db2.gz CJMIPMJLMZBAOS-KFWWJZLASA-N 0 1 304.438 1.999 10 0 DDAEMN COCCSc1ccc([C@@H](C)NC(=O)[C@H](N)COC)cc1 ZINC000262301366 407791572 /nfs/dbraw/zinc/79/15/72/407791572.db2.gz NYAFHEIOPYSIBA-BXUZGUMPSA-N 0 1 312.435 1.576 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccncc2)CCN1CCOC ZINC000117302017 407827869 /nfs/dbraw/zinc/82/78/69/407827869.db2.gz ZFEOMPCTOHOJJR-INIZCTEOSA-N 0 1 305.422 1.583 10 0 DDAEMN Cn1cc([C@@H]2CCN(CCn3cnc4ccccc4c3=O)C2)cn1 ZINC000117342205 407829876 /nfs/dbraw/zinc/82/98/76/407829876.db2.gz GDODYUNNGDMZEM-CQSZACIVSA-N 0 1 323.400 1.620 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1CCOC ZINC000117308689 407832191 /nfs/dbraw/zinc/83/21/91/407832191.db2.gz YLXWEJDAEVZXGJ-HNNXBMFYSA-N 0 1 322.453 1.528 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@@H](C)CCOC)CCN1CCOC ZINC000117489003 407837487 /nfs/dbraw/zinc/83/74/87/407837487.db2.gz OLEXNFBUYNRMQM-KBPBESRZSA-N 0 1 301.431 1.164 10 0 DDAEMN CCc1ccnc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000180274059 407873948 /nfs/dbraw/zinc/87/39/48/407873948.db2.gz VZWWLYPOLOMJJV-ZDUSSCGKSA-N 0 1 301.350 1.284 10 0 DDAEMN CS[C@@H](C)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262702282 407905564 /nfs/dbraw/zinc/90/55/64/407905564.db2.gz IKJDOMOPBNAHDR-GCVQQVDUSA-N 0 1 300.424 1.182 10 0 DDAEMN C[C@@H]1CCN(C[C@H](O)COCc2ccccc2)[C@H](C(N)=O)C1 ZINC000187387800 407851561 /nfs/dbraw/zinc/85/15/61/407851561.db2.gz NUNDMVJOSZYMRJ-KBMXLJTQSA-N 0 1 306.406 1.150 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000262884088 407961640 /nfs/dbraw/zinc/96/16/40/407961640.db2.gz FURHUQLPUGFRSO-CQSZACIVSA-N 0 1 322.380 1.766 10 0 DDAEMN CCc1ccc(CC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000174357121 407938374 /nfs/dbraw/zinc/93/83/74/407938374.db2.gz KABFREQAJOKHQH-LSDHHAIUSA-N 0 1 304.434 1.705 10 0 DDAEMN C[S@](=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000181386459 407990349 /nfs/dbraw/zinc/99/03/49/407990349.db2.gz WRHWLFQICSFFGS-DMZKTXOQSA-N 0 1 318.402 1.910 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCOC(C)C ZINC000175149248 408062198 /nfs/dbraw/zinc/06/21/98/408062198.db2.gz GFHKFFGFZJPJIS-ZIAGYGMSSA-N 0 1 304.456 1.300 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000182144982 408081545 /nfs/dbraw/zinc/08/15/45/408081545.db2.gz AOIPUOQOHDZFNW-OAHLLOKOSA-N 0 1 315.377 1.592 10 0 DDAEMN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000175266942 408090628 /nfs/dbraw/zinc/09/06/28/408090628.db2.gz UHVPAVRIJIPZQO-LBPRGKRZSA-N 0 1 324.396 1.696 10 0 DDAEMN CC[C@@H]1CN(c2nc(CCOC)ns2)CCN1C[C@H](C)O ZINC000246142393 408152954 /nfs/dbraw/zinc/15/29/54/408152954.db2.gz GPWFYKLUQMIEBP-NWDGAFQWSA-N 0 1 314.455 1.008 10 0 DDAEMN CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCC(=O)[O-])n1 ZINC000263498407 408157379 /nfs/dbraw/zinc/15/73/79/408157379.db2.gz KGMLRKLHBNRQQJ-SMDDNHRTSA-N 0 1 308.382 1.979 10 0 DDAEMN Cc1ccc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1F ZINC000263508673 408158849 /nfs/dbraw/zinc/15/88/49/408158849.db2.gz MSEHMTIKPJCVCQ-CQSZACIVSA-N 0 1 310.369 1.351 10 0 DDAEMN CCN1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)CC1=O ZINC000190202919 408189188 /nfs/dbraw/zinc/18/91/88/408189188.db2.gz FAQWGRMNVCBIDW-MRXNPFEDSA-N 0 1 306.406 1.118 10 0 DDAEMN CCN1CCCN(C[C@@H](O)COCc2ccccc2)CC1=O ZINC000190202919 408189195 /nfs/dbraw/zinc/18/91/95/408189195.db2.gz FAQWGRMNVCBIDW-MRXNPFEDSA-N 0 1 306.406 1.118 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)O1 ZINC000155726378 408199112 /nfs/dbraw/zinc/19/91/12/408199112.db2.gz PBWVNLAUROSTAL-IINYFYTJSA-N 0 1 305.378 1.353 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC000246292162 408207674 /nfs/dbraw/zinc/20/76/74/408207674.db2.gz BDHJFNNKSQXVLB-BZUAXINKSA-N 0 1 309.454 1.040 10 0 DDAEMN C[C@@H]1CN(CC(=O)NCC2CCCCC2)C[C@H]1N1CCOCC1 ZINC000246305060 408212785 /nfs/dbraw/zinc/21/27/85/408212785.db2.gz CAOOLFXUBPPCDH-NVXWUHKLSA-N 0 1 323.481 1.335 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000246616719 408304901 /nfs/dbraw/zinc/30/49/01/408304901.db2.gz YOGZWBNQOUCNDV-TZMCWYRMSA-N 0 1 308.378 1.219 10 0 DDAEMN C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1nnc2n1CCCC2 ZINC000131507482 162016956 /nfs/dbraw/zinc/01/69/56/162016956.db2.gz PHLFRRIQHFCRBO-SECBINFHSA-N 0 1 311.349 1.377 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)CCN1C[C@H](C)O ZINC000246790321 408341015 /nfs/dbraw/zinc/34/10/15/408341015.db2.gz JIQXHXCSYCZRBB-GXTWGEPZSA-N 0 1 324.425 1.004 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2F)CCN1C[C@H](C)O ZINC000246801979 408342124 /nfs/dbraw/zinc/34/21/24/408342124.db2.gz KDEQFNRNTNTNPL-DZGCQCFKSA-N 0 1 308.397 1.672 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(CCOC)[C@H](C)C1 ZINC000183148759 408336298 /nfs/dbraw/zinc/33/62/98/408336298.db2.gz DEHTYAZICJTQNF-CYBMUJFWSA-N 0 1 307.394 1.415 10 0 DDAEMN CC(C)CN1CCO[C@@H](CNC(=O)N2CCS[C@@H](C)C2)C1 ZINC000171415624 162216539 /nfs/dbraw/zinc/21/65/39/162216539.db2.gz SIWYUXUYGOOWKW-KBPBESRZSA-N 0 1 315.483 1.490 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000173451808 162339324 /nfs/dbraw/zinc/33/93/24/162339324.db2.gz YTJRDIGYSVCUNT-INIZCTEOSA-N 0 1 311.470 1.022 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)n[nH]1 ZINC000173532930 162346835 /nfs/dbraw/zinc/34/68/35/162346835.db2.gz RRSKIJDMMQQATO-AWEZNQCLSA-N 0 1 300.362 1.646 10 0 DDAEMN CCCCCCOCC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173539491 162347295 /nfs/dbraw/zinc/34/72/95/162347295.db2.gz HGKUOEFCUAYWHF-CYBMUJFWSA-N 0 1 310.398 1.610 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173667395 162354910 /nfs/dbraw/zinc/35/49/10/162354910.db2.gz WFHNVMWHKGUAHR-LLVKDONJSA-N 0 1 310.789 1.382 10 0 DDAEMN Cc1nc([C@H]2CN(CCOc3cccc(C)c3)CCO2)n[nH]1 ZINC000173665528 162355192 /nfs/dbraw/zinc/35/51/92/162355192.db2.gz GULLVYUHJJBXRB-OAHLLOKOSA-N 0 1 302.378 1.874 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@@H](O)C(C)C)n2)cc1 ZINC000158999595 408375094 /nfs/dbraw/zinc/37/50/94/408375094.db2.gz VYPGRHIAHNVVDL-CYBMUJFWSA-N 0 1 318.377 1.504 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)C[C@@H](O)C(C)C)n[nH]2)cc1 ZINC000158999595 408375100 /nfs/dbraw/zinc/37/51/00/408375100.db2.gz VYPGRHIAHNVVDL-CYBMUJFWSA-N 0 1 318.377 1.504 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)C(=O)N3CCCCCC3)CCO2)n[nH]1 ZINC000246983163 408377517 /nfs/dbraw/zinc/37/75/17/408377517.db2.gz MTHGIBHDYTYGDT-OCCSQVGLSA-N 0 1 321.425 1.278 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000159981327 408449088 /nfs/dbraw/zinc/44/90/88/408449088.db2.gz ZFZSCMFFHMVIBW-SECBINFHSA-N 0 1 303.156 1.370 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247053472 408395849 /nfs/dbraw/zinc/39/58/49/408395849.db2.gz FIXNBCRRKPFPJD-OFQRWUPVSA-N 0 1 313.486 1.457 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000176762531 408435095 /nfs/dbraw/zinc/43/50/95/408435095.db2.gz UAIFHYHYDSIZQD-HOCLYGCPSA-N 0 1 315.417 1.039 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247399332 408466023 /nfs/dbraw/zinc/46/60/23/408466023.db2.gz YGGUZTRVRUIJSJ-JKSUJKDBSA-N 0 1 313.486 1.412 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000247459859 408475078 /nfs/dbraw/zinc/47/50/78/408475078.db2.gz QRTSVGILKOEJEW-GWCFXTLKSA-N 0 1 316.373 1.822 10 0 DDAEMN COC(=O)c1cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)oc1C ZINC000177240808 408560848 /nfs/dbraw/zinc/56/08/48/408560848.db2.gz LDHFFIGZELFWEI-BLLLJJGKSA-N 0 1 322.405 1.527 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000192398512 408585716 /nfs/dbraw/zinc/58/57/16/408585716.db2.gz VPKARLLBUUBUSC-QWHCGFSZSA-N 0 1 314.426 1.022 10 0 DDAEMN C[C@H](C[S@](C)=O)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000161870540 408648270 /nfs/dbraw/zinc/64/82/70/408648270.db2.gz RFOKTUVDSJLHQV-ZUOKHONESA-N 0 1 300.443 1.956 10 0 DDAEMN CC[C@H]1CN([C@H](C)c2nnnn2C2CC2)CCN1CCOC ZINC000248901608 408658921 /nfs/dbraw/zinc/65/89/21/408658921.db2.gz VKOBLSYYJDVNDC-OLZOCXBDSA-N 0 1 308.430 1.112 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)N2CCc3cccc(C)c32)C1 ZINC000194156580 408768045 /nfs/dbraw/zinc/76/80/45/408768045.db2.gz YYOCJYPTHHBHJJ-OAHLLOKOSA-N 0 1 315.417 1.485 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)[C@H]3CCCCN3CC)CCO2)cn1 ZINC000191717899 163199157 /nfs/dbraw/zinc/19/91/57/163199157.db2.gz NSXKSNDXOSYFPT-HZPDHXFCSA-N 0 1 320.437 1.677 10 0 DDAEMN O=C(CNC(=O)c1ccc(F)cc1)N1CCN2CCCC[C@H]2C1 ZINC000195319706 163316629 /nfs/dbraw/zinc/31/66/29/163316629.db2.gz PEDUZCUVRBGILY-HNNXBMFYSA-N 0 1 319.380 1.252 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2ccnc(Cl)c2)CC1 ZINC000132976872 196301172 /nfs/dbraw/zinc/30/11/72/196301172.db2.gz HCAMNXNMVCVZPM-RDFMZFSFSA-N 0 1 323.824 1.663 10 0 DDAEMN CN1CCO[C@H](CN[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000132992186 196303228 /nfs/dbraw/zinc/30/32/28/196303228.db2.gz BANDJCANUUXILU-HUUCEWRRSA-N 0 1 323.824 1.366 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)CCO2)n[nH]1 ZINC000367074016 418556831 /nfs/dbraw/zinc/55/68/31/418556831.db2.gz VYVFCYQEWLDXOY-GHMZBOCLSA-N 0 1 314.336 1.839 10 0 DDAEMN Cc1csc(N2CCCN(c3ccncc3C(N)=O)CC2)n1 ZINC000302125518 230108115 /nfs/dbraw/zinc/10/81/15/230108115.db2.gz AHERCLLWCMUYGF-UHFFFAOYSA-N 0 1 317.418 1.662 10 0 DDAEMN Cc1cccc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c1F ZINC000527560070 421412518 /nfs/dbraw/zinc/41/25/18/421412518.db2.gz JMZIRVZEVWECNS-MDZLAQPJSA-N 0 1 318.352 1.537 10 0 DDAEMN COCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630675237 422262222 /nfs/dbraw/zinc/26/22/22/422262222.db2.gz SWNBAWGRCQJMHC-CABCVRRESA-N 0 1 320.389 1.209 10 0 DDAEMN COCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630675237 422262227 /nfs/dbraw/zinc/26/22/27/422262227.db2.gz SWNBAWGRCQJMHC-CABCVRRESA-N 0 1 320.389 1.209 10 0 DDAEMN O[C@H](COCc1ccccc1)CN1CCO[C@@H](C(F)F)CC1 ZINC000634750784 422617665 /nfs/dbraw/zinc/61/76/65/422617665.db2.gz DVPXMAPHWRLQNK-LSDHHAIUSA-N 0 1 315.360 1.920 10 0 DDAEMN CC[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)CCN1CCOC ZINC000182027160 263371787 /nfs/dbraw/zinc/37/17/87/263371787.db2.gz PFFJEMYAHWSSRN-RGDDUWESSA-N 0 1 319.405 1.370 10 0 DDAEMN NC(=O)C[C@@]1(O)CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000643745653 423308486 /nfs/dbraw/zinc/30/84/86/423308486.db2.gz OMLQKKDPIMYTBX-KRWDZBQOSA-N 0 1 314.389 1.075 10 0 DDAEMN CC[C@H]1C[N@H+]([C@H]2CCCCN(CC(=O)[O-])C2=O)CCS1 ZINC000643874059 423389820 /nfs/dbraw/zinc/38/98/20/423389820.db2.gz NOQPOLKLLAPNCQ-RYUDHWBXSA-N 0 1 300.424 1.280 10 0 DDAEMN O[C@@H]1CN(CCOc2cccc(Cl)c2)C[C@H]1n1ccnn1 ZINC000639742820 423702662 /nfs/dbraw/zinc/70/26/62/423702662.db2.gz UVHXFFOGHPOOLB-ZIAGYGMSSA-N 0 1 308.769 1.228 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186030887 276779257 /nfs/dbraw/zinc/77/92/57/276779257.db2.gz AQOYEFMSYQJTSW-WMZOPIPTSA-N 0 1 318.417 1.177 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263031724 279338492 /nfs/dbraw/zinc/33/84/92/279338492.db2.gz RZOQAUXEVHNPHO-OPRDCNLKSA-N 0 1 310.316 1.437 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000248580698 290094640 /nfs/dbraw/zinc/09/46/40/290094640.db2.gz FIBGKOGCANPXAF-TUVASFSCSA-N 0 1 311.470 1.908 10 0 DDAEMN O=C(c1coc(Br)c1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404070484 307297813 /nfs/dbraw/zinc/29/78/13/307297813.db2.gz LGJFSYJQMSCWHV-UWVGGRQHSA-N 0 1 315.167 1.245 10 0 DDAEMN NC(=O)c1cc(-c2c(F)cc(F)cc2F)c2c(n1)CNCC2 ZINC000584616027 337372908 /nfs/dbraw/zinc/37/29/08/337372908.db2.gz SSXRKPSLTKVJOK-UHFFFAOYSA-N 0 1 307.275 1.911 10 0 DDAEMN O=S1(=O)C[C@H](NCc2ccccc2)CN1Cc1ccccc1 ZINC000584636172 337374955 /nfs/dbraw/zinc/37/49/55/337374955.db2.gz KZGDZRZUZSBITF-QGZVFWFLSA-N 0 1 316.426 1.990 10 0 DDAEMN CC(C)C1CCC(NC(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000236582987 484178861 /nfs/dbraw/zinc/17/88/61/484178861.db2.gz JVOQXDAVMIBFSX-WXRRBKDZSA-N 0 1 304.456 1.079 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCC1 ZINC000309918253 484378553 /nfs/dbraw/zinc/37/85/53/484378553.db2.gz VASLYLGMUTWUQF-ZDUSSCGKSA-N 0 1 304.390 1.878 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(F)c(Br)c1F ZINC000662921109 484544323 /nfs/dbraw/zinc/54/43/23/484544323.db2.gz JUYOSACZIWSQDV-LURJTMIESA-N 0 1 309.110 1.640 10 0 DDAEMN Cc1csc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)n1 ZINC000328628618 534815295 /nfs/dbraw/zinc/81/52/95/534815295.db2.gz HJXPSTVLDAGHMQ-RYUDHWBXSA-N 0 1 307.398 1.948 10 0 DDAEMN O=C1[C@@H](N2CCC(c3cc[nH]n3)CC2)CCN1C1CCOCC1 ZINC000328634456 534826357 /nfs/dbraw/zinc/82/63/57/534826357.db2.gz BMEADMIGMQLGLH-INIZCTEOSA-N 0 1 318.421 1.369 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000170873778 697351209 /nfs/dbraw/zinc/35/12/09/697351209.db2.gz UHUCYBGCFIBHSS-HNNXBMFYSA-N 0 1 306.431 1.939 10 0 DDAEMN Fc1cc2ncn(CN3CC[C@H](N4CCOCC4)C3)c2cc1F ZINC000172960730 697374536 /nfs/dbraw/zinc/37/45/36/697374536.db2.gz ILWDSXMBVOEINM-LBPRGKRZSA-N 0 1 322.359 1.679 10 0 DDAEMN O=S(=O)(c1ccccc1NC[C@@H]1COCCN1)C(F)F ZINC000236143619 697794971 /nfs/dbraw/zinc/79/49/71/697794971.db2.gz NEQVQJINUFWBCW-SECBINFHSA-N 0 1 306.334 1.083 10 0 DDAEMN COC[C@@H](N)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000262035608 698451474 /nfs/dbraw/zinc/45/14/74/698451474.db2.gz FOGFGWJJHRDVML-HUUCEWRRSA-N 0 1 312.385 1.317 10 0 DDAEMN CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](N)COC)cs1 ZINC000262307033 698463880 /nfs/dbraw/zinc/46/38/80/698463880.db2.gz OOCVTJFHUDQJIU-MWLCHTKSSA-N 0 1 301.412 1.173 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262917422 698484435 /nfs/dbraw/zinc/48/44/35/698484435.db2.gz GMCIPFCGDFXNFA-UKKRHICBSA-N 0 1 324.343 1.875 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccoc2C)C1 ZINC000263513715 698510952 /nfs/dbraw/zinc/51/09/52/698510952.db2.gz ZSAVAWOXLSUTND-UHFFFAOYSA-N 0 1 323.393 1.667 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc3c(c2)OCCO3)C1 ZINC000263534938 698512157 /nfs/dbraw/zinc/51/21/57/698512157.db2.gz YQKTWINONXJPAM-UHFFFAOYSA-N 0 1 320.389 1.485 10 0 DDAEMN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000701024794 699225760 /nfs/dbraw/zinc/22/57/60/699225760.db2.gz WAWBORGOWKELIR-MWLCHTKSSA-N 0 1 318.204 1.535 10 0 DDAEMN C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1nccn1C ZINC000702765508 699232504 /nfs/dbraw/zinc/23/25/04/699232504.db2.gz LFMIKKKSGZEZEF-RWMBFGLXSA-N 0 1 324.425 1.299 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2nccs2)C1 ZINC000702842398 699234063 /nfs/dbraw/zinc/23/40/63/699234063.db2.gz WUBKVONCODEDJD-WDEREUQCSA-N 0 1 313.423 1.461 10 0 DDAEMN C/C=C\[C@H](O)C(=O)N1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000907556816 712594477 /nfs/dbraw/zinc/59/44/77/712594477.db2.gz WEMAUWVTWATNTI-UAEFUFSTSA-N 0 1 303.406 1.781 10 0 DDAEMN Cc1[nH]nc(-c2ccco2)c1C(=O)N1CCC2(CC1)OCCO2 ZINC000074666581 185006898 /nfs/dbraw/zinc/00/68/98/185006898.db2.gz DYYZIWBXTJKTQK-UHFFFAOYSA-N 0 1 317.345 1.957 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCC2=CCCC2)CCN1C[C@H](C)O ZINC000248495586 282087520 /nfs/dbraw/zinc/08/75/20/282087520.db2.gz QJNQXYSMLRTLHF-HOCLYGCPSA-N 0 1 309.454 1.973 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CN3CCCC3=O)C[C@H]21 ZINC000248579720 282092134 /nfs/dbraw/zinc/09/21/34/282092134.db2.gz FCVIFJKFJTUECQ-BFHYXJOUSA-N 0 1 323.437 1.801 10 0 DDAEMN N[C@H](c1sccc1Br)[C@@H]1CN2CCN1CC2 ZINC000087570646 185228297 /nfs/dbraw/zinc/22/82/97/185228297.db2.gz AMHDPQZLIRNVRF-UWVGGRQHSA-N 0 1 302.241 1.510 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087639960 185229912 /nfs/dbraw/zinc/22/99/12/185229912.db2.gz KYSMJCVJZQLEMQ-JTQLQIEISA-N 0 1 311.480 1.602 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H]1CCc2ccccc2[C@H]1NC ZINC000081977176 192347680 /nfs/dbraw/zinc/34/76/80/192347680.db2.gz QYOCLZQPLXIJAI-UKRRQHHQSA-N 0 1 311.403 1.240 10 0 DDAEMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CC)c1S(N)(=O)=O ZINC000087894504 185235304 /nfs/dbraw/zinc/23/53/04/185235304.db2.gz ZZRFDMSUALVENF-VIFPVBQESA-N 0 1 314.411 1.024 10 0 DDAEMN CN(C)C(=O)CCn1c(N)nc2ccc(Br)cc21 ZINC000087837347 185233107 /nfs/dbraw/zinc/23/31/07/185233107.db2.gz DVWVTQKQQSACEE-UHFFFAOYSA-N 0 1 311.183 1.859 10 0 DDAEMN [NH3+]CCCS(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000088120600 185239967 /nfs/dbraw/zinc/23/99/67/185239967.db2.gz ZXDFOYHIOLRCGB-UHFFFAOYSA-N 0 1 306.800 1.435 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1ccc(Br)cn1 ZINC000088673097 185262233 /nfs/dbraw/zinc/26/22/33/185262233.db2.gz PZGJLFMYPQRDPM-JTQLQIEISA-N 0 1 314.183 1.185 10 0 DDAEMN Cc1ncsc1CN1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000088870166 185267559 /nfs/dbraw/zinc/26/75/59/185267559.db2.gz OSTWZSIJFDNFLA-CYBMUJFWSA-N 0 1 309.435 1.965 10 0 DDAEMN CNCc1cn(Cc2noc(-c3ccc(Cl)cc3)n2)nn1 ZINC000090295682 185290041 /nfs/dbraw/zinc/29/00/41/185290041.db2.gz CFHAORUVKCAAFS-UHFFFAOYSA-N 0 1 304.741 1.749 10 0 DDAEMN CCC[N@H+](Cc1nccn1C(F)F)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090525033 185300418 /nfs/dbraw/zinc/30/04/18/185300418.db2.gz UMVDBRIJJKJEPR-UWVGGRQHSA-N 0 1 303.309 1.590 10 0 DDAEMN CCC[N@@H+](Cc1nccn1C(F)F)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090525033 185300419 /nfs/dbraw/zinc/30/04/19/185300419.db2.gz UMVDBRIJJKJEPR-UWVGGRQHSA-N 0 1 303.309 1.590 10 0 DDAEMN CN[C@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CCOC ZINC000092388669 185315353 /nfs/dbraw/zinc/31/53/53/185315353.db2.gz JRCXZBAELKCJKX-CABCVRRESA-N 0 1 313.419 1.332 10 0 DDAEMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccnc(NN)c1 ZINC000092339794 185312879 /nfs/dbraw/zinc/31/28/79/185312879.db2.gz IOJNLTFHXFWMLP-MRVPVSSYSA-N 0 1 311.367 1.012 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)c1nnc(SCC(=O)[O-])s1 ZINC000092666367 185332351 /nfs/dbraw/zinc/33/23/51/185332351.db2.gz BAZYTUGLJBZDOD-QMMMGPOBSA-N 0 1 302.425 1.245 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(NC)nc1 ZINC000092672924 185332812 /nfs/dbraw/zinc/33/28/12/185332812.db2.gz KJOVGVBSNNLALW-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cnccc1NC ZINC000092672974 185333109 /nfs/dbraw/zinc/33/31/09/185333109.db2.gz OQSQUUGEGLZUFV-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cnccc1Cl ZINC000092627902 185330459 /nfs/dbraw/zinc/33/04/59/185330459.db2.gz PREWJWQEFUPSEV-LLVKDONJSA-N 0 1 317.842 1.840 10 0 DDAEMN Cc1cc([C@H](C)NC(=O)[C@H]2Cc3nc[nH]c3CN2)c(C)s1 ZINC000092780160 185340541 /nfs/dbraw/zinc/34/05/41/185340541.db2.gz WBNDQXXWTOKXJV-TVQRCGJNSA-N 0 1 304.419 1.980 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000092940501 185350040 /nfs/dbraw/zinc/35/00/40/185350040.db2.gz VGEJNWVLBUORRQ-JOYOIKCWSA-N 0 1 311.407 1.811 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000092940501 185350041 /nfs/dbraw/zinc/35/00/41/185350041.db2.gz VGEJNWVLBUORRQ-JOYOIKCWSA-N 0 1 311.407 1.811 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2cncc(F)c2)C[C@H]1C ZINC000255765436 282278434 /nfs/dbraw/zinc/27/84/34/282278434.db2.gz BBUUFTSFXWOAJY-JXLSXLBDSA-N 0 1 307.369 1.147 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1c1nnc[nH]1 ZINC000616648454 362767554 /nfs/dbraw/zinc/76/75/54/362767554.db2.gz MHFUPVXVSXRUJE-NSHDSACASA-N 0 1 311.386 1.093 10 0 DDAEMN O=C([O-])c1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(F)(F)F)cc1 ZINC000616570082 539559973 /nfs/dbraw/zinc/55/99/73/539559973.db2.gz PVKDEROQNYTGAH-QWRGUYRKSA-N 0 1 316.279 1.509 10 0 DDAEMN CN1C[C@@H](N[C@H]2CCS(=O)(=O)c3ccccc32)CCC1=O ZINC000084063022 192398527 /nfs/dbraw/zinc/39/85/27/192398527.db2.gz PPLXLYLKIRIURE-AAEUAGOBSA-N 0 1 308.403 1.116 10 0 DDAEMN Cc1ccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c(C)c1 ZINC000262894926 186320252 /nfs/dbraw/zinc/32/02/52/186320252.db2.gz HJAXHJHBGIYWJK-AWEZNQCLSA-N 0 1 320.389 1.161 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ncccc2C)CCN1CCOC ZINC000172275789 198069943 /nfs/dbraw/zinc/06/99/43/198069943.db2.gz WIFVILACZSAIPU-AWEZNQCLSA-N 0 1 306.410 1.965 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000172615479 198124512 /nfs/dbraw/zinc/12/45/12/198124512.db2.gz ICNCPBJTDLXBDS-NSHDSACASA-N 0 1 323.397 1.410 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000072910754 191250345 /nfs/dbraw/zinc/25/03/45/191250345.db2.gz RYIPJANXCROYTK-GWCFXTLKSA-N 0 1 324.402 1.315 10 0 DDAEMN CCNC(=O)c1ccc(N2CCN(CCOC)[C@H](CC)C2)nc1 ZINC000174736582 198378173 /nfs/dbraw/zinc/37/81/73/198378173.db2.gz BDLLKPKIGGEQIO-OAHLLOKOSA-N 0 1 320.437 1.378 10 0 DDAEMN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccn2cncc2c1 ZINC000328619938 354547739 /nfs/dbraw/zinc/54/77/39/354547739.db2.gz GMOQTEHJKZYWKH-ZDUSSCGKSA-N 0 1 309.373 1.865 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)C2CCOCC2)n1 ZINC000080868224 192197363 /nfs/dbraw/zinc/19/73/63/192197363.db2.gz DEOVXBAUMFHIAN-MRVPVSSYSA-N 0 1 305.425 1.344 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3ccco3)CCO2)n[nH]1 ZINC000178013007 198803959 /nfs/dbraw/zinc/80/39/59/198803959.db2.gz SXQVPMOSSCWZKG-NSHDSACASA-N 0 1 305.338 1.243 10 0 DDAEMN O=C([O-])CCc1cc2n(n1)CC[N@@H+](CCCn1cccc1)C2 ZINC000072161487 304064300 /nfs/dbraw/zinc/06/43/00/304064300.db2.gz WAAFUWCEFBRCLR-UHFFFAOYSA-N 0 1 302.378 1.608 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(Cc2cccnc2)CC1 ZINC000195202980 201357646 /nfs/dbraw/zinc/35/76/46/201357646.db2.gz CPVCWRJYOXOWTD-KRWDZBQOSA-N 0 1 307.438 1.377 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)N(C)C(C)C)CC1 ZINC000091488148 193062887 /nfs/dbraw/zinc/06/28/87/193062887.db2.gz BOGVSQYHDCUTLR-UHFFFAOYSA-N 0 1 303.497 1.337 10 0 DDAEMN C[C@@H](C[NH3+])c1nc([O-])c(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000093163884 193209764 /nfs/dbraw/zinc/20/97/64/193209764.db2.gz TZDUOWFHMGJYHB-ZETCQYMHSA-N 0 1 324.178 1.967 10 0 DDAEMN C[C@@H]([NH3+])Cc1nc([O-])c(-c2ccccc2Br)c(=O)[nH]1 ZINC000093177091 193212421 /nfs/dbraw/zinc/21/24/21/193212421.db2.gz LBGPLKMERYNBTC-SSDOTTSWSA-N 0 1 324.178 1.795 10 0 DDAEMN CC(C)(CNCc1cc2c(c(Cl)c1)OCO2)S(C)(=O)=O ZINC000093520426 193263370 /nfs/dbraw/zinc/26/33/70/193263370.db2.gz RTTZOYQYBWYFON-UHFFFAOYSA-N 0 1 319.810 1.982 10 0 DDAEMN CNCc1nc(C)ccc1O[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634570 193385949 /nfs/dbraw/zinc/38/59/49/193385949.db2.gz DASYZGAZMGRYAE-OLZOCXBDSA-N 0 1 312.435 1.844 10 0 DDAEMN O=C(N[C@H]1CCOc2ccccc21)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000333318462 284215108 /nfs/dbraw/zinc/21/51/08/284215108.db2.gz AOWPVJFXZQJOMH-YPMHNXCESA-N 0 1 313.361 1.827 10 0 DDAEMN CNC(=O)Cc1n[nH]c(COc2ccc(C(C)(C)C)cc2)n1 ZINC000040359067 183056096 /nfs/dbraw/zinc/05/60/96/183056096.db2.gz ZSPCGOGGUFRKDT-UHFFFAOYSA-N 0 1 302.378 1.970 10 0 DDAEMN COc1nccnc1CN1CCC[C@H](Cc2nccn2C)C1 ZINC000333600070 249036866 /nfs/dbraw/zinc/03/68/66/249036866.db2.gz VANJRGWRLHSYMA-CYBMUJFWSA-N 0 1 301.394 1.673 10 0 DDAEMN O=S(=O)([N-][C@H]1CCCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000333669160 249063613 /nfs/dbraw/zinc/06/36/13/249063613.db2.gz MULADKJYBKJSPR-QMMMGPOBSA-N 0 1 308.325 1.524 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N[C@H]1CCCN(CC)C1 ZINC000040501870 183083876 /nfs/dbraw/zinc/08/38/76/183083876.db2.gz TXCFBJUUZVSAAL-AWEZNQCLSA-N 0 1 311.451 1.594 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000105836715 194142384 /nfs/dbraw/zinc/14/23/84/194142384.db2.gz NBOUGNIEHYNZJP-JKSUJKDBSA-N 0 1 313.486 1.724 10 0 DDAEMN CCN[C@H]1c2ccc(Sc3nnc(C)n3C)cc2NC1=O ZINC000110368745 194324894 /nfs/dbraw/zinc/32/48/94/194324894.db2.gz QVDQKMFJQHJDGL-LBPRGKRZSA-N 0 1 303.391 1.877 10 0 DDAEMN CCN(CC)c1cccc(OCCNCCS(C)(=O)=O)c1 ZINC000053588691 183907267 /nfs/dbraw/zinc/90/72/67/183907267.db2.gz YXHXVIZBUOCRLR-UHFFFAOYSA-N 0 1 314.451 1.546 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000059514814 184139773 /nfs/dbraw/zinc/13/97/73/184139773.db2.gz GNFZHDMCOUJXKG-MRVPVSSYSA-N 0 1 303.284 1.639 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000061145361 184163319 /nfs/dbraw/zinc/16/33/19/184163319.db2.gz HHUZEPPIILAFRG-UHFFFAOYSA-N 0 1 311.769 1.964 10 0 DDAEMN Cc1ccc(N)c(S(=O)(=O)N2CCC[C@H]2CN(C)C)c1C ZINC000061642555 184180333 /nfs/dbraw/zinc/18/03/33/184180333.db2.gz GNPKXACZHZRYBJ-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062037594 184202961 /nfs/dbraw/zinc/20/29/61/184202961.db2.gz HEOGKYFQFWQIDX-ZJUUUORDSA-N 0 1 304.362 1.631 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CNc1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065425828 184342850 /nfs/dbraw/zinc/34/28/50/184342850.db2.gz RCWPYCHRAAFNBH-NSHDSACASA-N 0 1 315.377 1.806 10 0 DDAEMN Cc1ccc(CN2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@@H]32)o1 ZINC000248134216 257108661 /nfs/dbraw/zinc/10/86/61/257108661.db2.gz ZTPCQNRPTTZYOV-JYJNAYRXSA-N 0 1 320.389 1.874 10 0 DDAEMN CCn1nc(C(=O)NC)c2c1CC[C@@H]([N@@H+](C)Cc1ccco1)C2 ZINC000023191390 257211786 /nfs/dbraw/zinc/21/17/86/257211786.db2.gz GGILODAVBFODBK-GFCCVEGCSA-N 0 1 316.405 1.845 10 0 DDAEMN Cc1cc(C)n2c(CN3CC[C@H](N4CCOCC4)C3)cnc2n1 ZINC000121018026 195280543 /nfs/dbraw/zinc/28/05/43/195280543.db2.gz KLGQMWPJFGOQAL-HNNXBMFYSA-N 0 1 315.421 1.253 10 0 DDAEMN c1ccc2c(c1)C=C(C[N@H+]1CC[C@H](N3CCOCC3)C1)CO2 ZINC000121023151 195281665 /nfs/dbraw/zinc/28/16/65/195281665.db2.gz VNQBWJRYJXWICL-KRWDZBQOSA-N 0 1 300.402 1.869 10 0 DDAEMN COc1c(CN2CCC[C@H]2CN2CCOCC2)c(C)nn1C ZINC000092218246 286183808 /nfs/dbraw/zinc/18/38/08/286183808.db2.gz PFYAMWVFRXYCBI-AWEZNQCLSA-N 0 1 308.426 1.034 10 0 DDAEMN O=C([N-][C@H]1C[N@@H+](Cc2ccccc2)CC12COC2)C(F)(F)F ZINC000095938001 407215528 /nfs/dbraw/zinc/21/55/28/407215528.db2.gz OXPDBYIWGYNNNH-LBPRGKRZSA-N 0 1 314.307 1.566 10 0 DDAEMN O=C(N[C@H]1CN(Cc2ccccc2)CC12COC2)C(F)(F)F ZINC000095938001 407215530 /nfs/dbraw/zinc/21/55/30/407215530.db2.gz OXPDBYIWGYNNNH-LBPRGKRZSA-N 0 1 314.307 1.566 10 0 DDAEMN CC(C)(C)OC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2cccs2)[C@H]1[NH3+] ZINC000100339111 407307637 /nfs/dbraw/zinc/30/76/37/407307637.db2.gz WDLZIQYFGMTKLA-JMJZKYOTSA-N 0 1 312.391 1.432 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cnn(C)c1 ZINC000106903511 407365557 /nfs/dbraw/zinc/36/55/57/407365557.db2.gz AJTCERLFFAWTHO-INIZCTEOSA-N 0 1 300.406 1.551 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCC(=O)NC1CC1 ZINC000106907696 407366089 /nfs/dbraw/zinc/36/60/89/407366089.db2.gz YKENHZQNSKIRTI-MRXNPFEDSA-N 0 1 317.433 1.334 10 0 DDAEMN CCC(=O)N1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000125427090 407388271 /nfs/dbraw/zinc/38/82/71/407388271.db2.gz TVTTUSKPSDIKSR-JKSUJKDBSA-N 0 1 317.433 1.286 10 0 DDAEMN Cc1nc(CN2CCC[N@@H+](Cc3cccnc3C)CC2)no1 ZINC000127930625 407477866 /nfs/dbraw/zinc/47/78/66/407477866.db2.gz BQEKZQHRPNSEAG-UHFFFAOYSA-N 0 1 301.394 1.789 10 0 DDAEMN Cc1nc(CN2CCCN(Cc3cccnc3C)CC2)no1 ZINC000127930625 407477873 /nfs/dbraw/zinc/47/78/73/407477873.db2.gz BQEKZQHRPNSEAG-UHFFFAOYSA-N 0 1 301.394 1.789 10 0 DDAEMN Cc1oncc1CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000128537177 407548025 /nfs/dbraw/zinc/54/80/25/407548025.db2.gz IRALEDLMZFPUQL-QGZVFWFLSA-N 0 1 322.453 1.210 10 0 DDAEMN Cc1csc([C@@H]2CN(c3ncnc4[nH]cnc43)CCO2)n1 ZINC000171363111 407670154 /nfs/dbraw/zinc/67/01/54/407670154.db2.gz XYADGIODZHFISF-VIFPVBQESA-N 0 1 302.363 1.696 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(OCC(=O)NC)cc1)N(C)C ZINC000152852792 407703236 /nfs/dbraw/zinc/70/32/36/407703236.db2.gz KYOQVPGSLVERLJ-AWEZNQCLSA-N 0 1 307.394 1.480 10 0 DDAEMN CN[C@@H](C(N)=O)c1ccc(Br)c(Br)c1 ZINC000234415156 407707052 /nfs/dbraw/zinc/70/70/52/407707052.db2.gz CQRNIAUZANEEKM-MRVPVSSYSA-N 0 1 322.000 1.957 10 0 DDAEMN CC(C)n1cc(CN2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000171596421 407715031 /nfs/dbraw/zinc/71/50/31/407715031.db2.gz IDSBYMCZFMBNLO-UHFFFAOYSA-N 0 1 316.453 1.905 10 0 DDAEMN COC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000262030251 407717724 /nfs/dbraw/zinc/71/77/24/407717724.db2.gz AKGUFROALJHESI-CYBMUJFWSA-N 0 1 312.797 1.436 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000262241271 407772762 /nfs/dbraw/zinc/77/27/62/407772762.db2.gz HSRITOMMEYKEPL-CQSZACIVSA-N 0 1 317.345 1.795 10 0 DDAEMN CC(C)OCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000186773007 407769995 /nfs/dbraw/zinc/76/99/95/407769995.db2.gz NNKRXLVGIZNEAM-LSDHHAIUSA-N 0 1 315.458 1.288 10 0 DDAEMN CC[C@@H]1CN(c2cncc(OCC(C)C)n2)CCN1C[C@@H](C)O ZINC000153285176 407792630 /nfs/dbraw/zinc/79/26/30/407792630.db2.gz NGAZGFWZWIATKC-HUUCEWRRSA-N 0 1 322.453 1.793 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000172355776 407823043 /nfs/dbraw/zinc/82/30/43/407823043.db2.gz WCZUNOUMTVZRHP-LBPRGKRZSA-N 0 1 320.359 1.334 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1CCOC ZINC000117299900 407828347 /nfs/dbraw/zinc/82/83/47/407828347.db2.gz XADAXIDUGGPRCE-MRXNPFEDSA-N 0 1 308.397 1.937 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262439643 407836929 /nfs/dbraw/zinc/83/69/29/407836929.db2.gz AKPGXUPLNZLYFT-CYBMUJFWSA-N 0 1 313.442 1.162 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccccc2)CC1 ZINC000262485439 407849122 /nfs/dbraw/zinc/84/91/22/407849122.db2.gz LEIJUPFDZDESEB-HNNXBMFYSA-N 0 1 319.405 1.496 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ncccc2C)CCN1C[C@@H](C)O ZINC000181714803 408032022 /nfs/dbraw/zinc/03/20/22/408032022.db2.gz PBFURMHADYXNRC-HUUCEWRRSA-N 0 1 320.437 1.377 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(F)cn2)C1 ZINC000263129641 408032745 /nfs/dbraw/zinc/03/27/45/408032745.db2.gz XYICCWWRCAQOAC-UHFFFAOYSA-N 0 1 310.329 1.280 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000263253968 408076669 /nfs/dbraw/zinc/07/66/69/408076669.db2.gz PZGMQPHMTYCILE-GFCCVEGCSA-N 0 1 320.311 1.355 10 0 DDAEMN CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847380 408079058 /nfs/dbraw/zinc/07/90/58/408079058.db2.gz JZFQNLURJZGMMN-DLBZAZTESA-N 0 1 301.434 1.986 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCC[C@H](Cn2cncn2)C1 ZINC000182174537 408085915 /nfs/dbraw/zinc/08/59/15/408085915.db2.gz QQARRVRHUZBORR-GJZGRUSLSA-N 0 1 308.426 1.968 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000245914109 408098438 /nfs/dbraw/zinc/09/84/38/408098438.db2.gz QJOJAPSXZIFSCK-KBPBESRZSA-N 0 1 319.453 1.707 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC2(CC)CCCC2)C1 ZINC000263483149 408151860 /nfs/dbraw/zinc/15/18/60/408151860.db2.gz ONDCQASJQYTTCS-UHFFFAOYSA-N 0 1 311.426 1.946 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cccc3c2OCO3)C1 ZINC000263510896 408162734 /nfs/dbraw/zinc/16/27/34/408162734.db2.gz NKBFWRVEUCAXHB-UHFFFAOYSA-N 0 1 306.362 1.442 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C[C@H](C)O ZINC000246189504 408169711 /nfs/dbraw/zinc/16/97/11/408169711.db2.gz SFVVDXVAFJQKSB-GOEBONIOSA-N 0 1 319.449 1.670 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246378862 408237494 /nfs/dbraw/zinc/23/74/94/408237494.db2.gz HYCIKRXWLDUDOC-HRCADAONSA-N 0 1 311.470 1.190 10 0 DDAEMN C[C@H]1CN(CC(=O)NC2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000246367045 408235479 /nfs/dbraw/zinc/23/54/79/408235479.db2.gz HBTYWFZWXROFLM-XGHPGWEVSA-N 0 1 323.481 1.334 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc2c1CCCC2 ZINC000176285910 408332426 /nfs/dbraw/zinc/33/24/26/408332426.db2.gz HNTKCVPJFWKKOE-GFCCVEGCSA-N 0 1 300.366 1.453 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H]2CCCOC2)C[C@H]1CC ZINC000172134842 162260871 /nfs/dbraw/zinc/26/08/71/162260871.db2.gz NMLNLHGLSNOPTD-HUUCEWRRSA-N 0 1 313.442 1.308 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)Nc1cccnc1Cl ZINC000172804722 162306399 /nfs/dbraw/zinc/30/63/99/162306399.db2.gz WKCLXDRWRUBFPY-GFCCVEGCSA-N 0 1 308.813 1.844 10 0 DDAEMN COc1ccc(COC[C@H](O)CN2[C@H](C)COC[C@@H]2C)cc1 ZINC000246923149 408366593 /nfs/dbraw/zinc/36/65/93/408366593.db2.gz INPPQVOVWWWXBV-IJEWVQPXSA-N 0 1 309.406 1.682 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CC3CCOCC3)CCO2)n[nH]1 ZINC000173573687 162349841 /nfs/dbraw/zinc/34/98/41/162349841.db2.gz QHUYWAOWBMWBQQ-GFCCVEGCSA-N 0 1 308.382 1.084 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc4ncccc43)CCO2)n[nH]1 ZINC000173602801 162351050 /nfs/dbraw/zinc/35/10/50/162351050.db2.gz UKEIBASSPAWZPL-HNNXBMFYSA-N 0 1 323.356 1.875 10 0 DDAEMN COC(=O)c1coc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173667511 162356186 /nfs/dbraw/zinc/35/61/86/162356186.db2.gz JRLIJGCJLUUWKJ-GFCCVEGCSA-N 0 1 306.322 1.066 10 0 DDAEMN COC(=O)c1oc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1C ZINC000173683026 162358716 /nfs/dbraw/zinc/35/87/16/162358716.db2.gz VINWSTBLMYUBSV-GFCCVEGCSA-N 0 1 320.349 1.375 10 0 DDAEMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173932872 162377414 /nfs/dbraw/zinc/37/74/14/162377414.db2.gz ZVGKNCVTYOFCDY-XHSDSOJGSA-N 0 1 309.454 1.182 10 0 DDAEMN Cc1noc(C)c1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000174005626 162385359 /nfs/dbraw/zinc/38/53/59/162385359.db2.gz ILQNODRWQKAOKB-JOYOIKCWSA-N 0 1 301.412 1.298 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H](CC)COC)C[C@@H]1CC ZINC000247366055 408457466 /nfs/dbraw/zinc/45/74/66/408457466.db2.gz MZBIPACFTWPFBB-CABCVRRESA-N 0 1 315.458 1.554 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176741547 408428862 /nfs/dbraw/zinc/42/88/62/408428862.db2.gz IFKIVCIIVPQSCU-ZJUUUORDSA-N 0 1 309.370 1.239 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000247211188 408429407 /nfs/dbraw/zinc/42/94/07/408429407.db2.gz VEYZXVYXNZRYAD-WMLDXEAASA-N 0 1 321.465 1.182 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000247211188 408429414 /nfs/dbraw/zinc/42/94/14/408429414.db2.gz VEYZXVYXNZRYAD-WMLDXEAASA-N 0 1 321.465 1.182 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000177761638 408703159 /nfs/dbraw/zinc/70/31/59/408703159.db2.gz HPEUYEOLLSALPK-MRXNPFEDSA-N 0 1 323.387 1.751 10 0 DDAEMN O=C(NCc1ccc(O)c(F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000163713698 408787086 /nfs/dbraw/zinc/78/70/86/408787086.db2.gz GLIBPPFTLFABKD-CYBMUJFWSA-N 0 1 307.369 1.911 10 0 DDAEMN COC[C@@H]1CN(C[C@@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000251869420 408788722 /nfs/dbraw/zinc/78/87/22/408788722.db2.gz OXKMWAGHRGQOGQ-UAGQMJEPSA-N 0 1 309.406 1.300 10 0 DDAEMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000185375192 408801710 /nfs/dbraw/zinc/80/17/10/408801710.db2.gz WYSRFIGHJQIHCP-AWEZNQCLSA-N 0 1 323.360 1.541 10 0 DDAEMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000185375207 408802723 /nfs/dbraw/zinc/80/27/23/408802723.db2.gz WYSRFIGHJQIHCP-CQSZACIVSA-N 0 1 323.360 1.541 10 0 DDAEMN O=C(Cc1ccc2c(c1)OCCO2)N1CCN2CCCC[C@@H]2C1 ZINC000195088143 408810903 /nfs/dbraw/zinc/81/09/03/408810903.db2.gz VRYCHOHWPXCBHB-OAHLLOKOSA-N 0 1 316.401 1.697 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccco3)CCO2)n[nH]1 ZINC000178013020 408756628 /nfs/dbraw/zinc/75/66/28/408756628.db2.gz SXQVPMOSSCWZKG-LLVKDONJSA-N 0 1 305.338 1.243 10 0 DDAEMN CCCCOC[C@H](O)C[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000195145902 408813609 /nfs/dbraw/zinc/81/36/09/408813609.db2.gz XRAWJXYOWQTERW-ZIAGYGMSSA-N 0 1 307.456 1.063 10 0 DDAEMN CCCCOC[C@H](O)CN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000195145902 408813611 /nfs/dbraw/zinc/81/36/11/408813611.db2.gz XRAWJXYOWQTERW-ZIAGYGMSSA-N 0 1 307.456 1.063 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000194152417 408767924 /nfs/dbraw/zinc/76/79/24/408767924.db2.gz AGUBMNKFYPOZNV-LBPRGKRZSA-N 0 1 323.368 1.373 10 0 DDAEMN CCOC(=O)N1CCC[C@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250121497 408774922 /nfs/dbraw/zinc/77/49/22/408774922.db2.gz HGVRJEMWHPSYOU-GJZGRUSLSA-N 0 1 323.437 1.552 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cncnc2C(C)C)C1 ZINC000262691017 163865392 /nfs/dbraw/zinc/86/53/92/163865392.db2.gz CEVJFFHYAJSBHR-UHFFFAOYSA-N 0 1 320.393 1.267 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC(C(C)(C)C)C2)C1 ZINC000263514603 163978333 /nfs/dbraw/zinc/97/83/33/163978333.db2.gz ZWWFUGRMYZRHOJ-UHFFFAOYSA-N 0 1 311.426 1.611 10 0 DDAEMN C/C=C\CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649617 422239945 /nfs/dbraw/zinc/23/99/45/422239945.db2.gz KKRZKINWTDTVPD-LYOOOYLASA-N 0 1 302.374 1.797 10 0 DDAEMN C/C=C\CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649617 422239950 /nfs/dbraw/zinc/23/99/50/422239950.db2.gz KKRZKINWTDTVPD-LYOOOYLASA-N 0 1 302.374 1.797 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630676338 422262704 /nfs/dbraw/zinc/26/27/04/422262704.db2.gz WUEYGYACCIBEON-BEAPCOKYSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630676338 422262711 /nfs/dbraw/zinc/26/27/11/422262711.db2.gz WUEYGYACCIBEON-BEAPCOKYSA-N 0 1 302.374 1.629 10 0 DDAEMN CO[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC000634694948 422555418 /nfs/dbraw/zinc/55/54/18/422555418.db2.gz NCYMZAIKBSLIGX-ZOBUZTSGSA-N 0 1 323.389 1.128 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3cc(C)ccc23)N(C)C1 ZINC000344624638 272072908 /nfs/dbraw/zinc/07/29/08/272072908.db2.gz OGSHGCUGLSZAOU-YOEHRIQHSA-N 0 1 315.417 1.854 10 0 DDAEMN CC(=O)NCC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)C(=O)[O-] ZINC000263355303 278111179 /nfs/dbraw/zinc/11/11/79/278111179.db2.gz QSCXHTPHQQHNCO-VNHYZAJKSA-N 0 1 314.426 1.493 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247163346 282036902 /nfs/dbraw/zinc/03/69/02/282036902.db2.gz SVOHHNRYHMWFST-BZUAXINKSA-N 0 1 317.433 1.320 10 0 DDAEMN CCOCCN1CCN([C@H](CC)C(=O)OCC)C[C@@H]1CC ZINC000247456070 282053783 /nfs/dbraw/zinc/05/37/83/282053783.db2.gz HVYVJWWKIHQWCL-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1C1CC1 ZINC000663228927 484754135 /nfs/dbraw/zinc/75/41/35/484754135.db2.gz HYFAYMYNSUXYFR-GJZGRUSLSA-N 0 1 317.389 1.129 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1C1CC1 ZINC000663228927 484754139 /nfs/dbraw/zinc/75/41/39/484754139.db2.gz HYFAYMYNSUXYFR-GJZGRUSLSA-N 0 1 317.389 1.129 10 0 DDAEMN C[C@H](NC(=O)c1ccc(F)cc1O)c1nnc2n1CCCC2 ZINC000156300684 525215105 /nfs/dbraw/zinc/21/51/05/525215105.db2.gz KBPXTFQZYBYOJX-VIFPVBQESA-N 0 1 304.325 1.950 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000106397696 535812791 /nfs/dbraw/zinc/81/27/91/535812791.db2.gz NRMMHLZPVOEUQI-NHZBNJEXSA-N 0 1 307.369 1.149 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105822523 696625215 /nfs/dbraw/zinc/62/52/15/696625215.db2.gz AGHYPNRUUOYZLJ-ARFHVFGLSA-N 0 1 313.486 1.458 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105822523 696625217 /nfs/dbraw/zinc/62/52/17/696625217.db2.gz AGHYPNRUUOYZLJ-ARFHVFGLSA-N 0 1 313.486 1.458 10 0 DDAEMN CC[C@H]1CN(C(=O)COC2CCCCC2)CCN1C[C@@H](C)O ZINC000174615501 697390617 /nfs/dbraw/zinc/39/06/17/697390617.db2.gz WNXISWXGGGAPHN-CABCVRRESA-N 0 1 312.454 1.639 10 0 DDAEMN COCCN1[C@H](C)CN(Cc2nnc(C(C)C)n2C)C[C@@H]1C ZINC000178980504 697432220 /nfs/dbraw/zinc/43/22/20/697432220.db2.gz MKCGCPCQPNHIMX-OKILXGFUSA-N 0 1 309.458 1.480 10 0 DDAEMN CCN(CC(=O)OC(C)(C)C)C1CCN(Cn2cnnc2)CC1 ZINC000192164588 697620708 /nfs/dbraw/zinc/62/07/08/697620708.db2.gz CMOAFBNMSQXICI-UHFFFAOYSA-N 0 1 323.441 1.364 10 0 DDAEMN C[C@@H](C(=O)N[C@@H]1CN2CCC1CC2)n1ccc(C(F)(F)F)n1 ZINC000222543645 697757789 /nfs/dbraw/zinc/75/77/89/697757789.db2.gz ZRZLIRAOVQTXAQ-GXSJLCMTSA-N 0 1 316.327 1.673 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(NC=O)cc2)CCN1C[C@H](C)O ZINC000245412317 697822748 /nfs/dbraw/zinc/82/27/48/697822748.db2.gz AJDAEBYJBFEEER-BBRMVZONSA-N 0 1 319.405 1.172 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2ccco2)C1 ZINC000263093209 698490860 /nfs/dbraw/zinc/49/08/60/698490860.db2.gz VTNFNSZTLZBHFF-UHFFFAOYSA-N 0 1 309.366 1.059 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC(C)(C)SC)C1 ZINC000263439383 698507008 /nfs/dbraw/zinc/50/70/08/698507008.db2.gz DDHNYNPKBFBXHK-UHFFFAOYSA-N 0 1 317.455 1.365 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263484567 698509368 /nfs/dbraw/zinc/50/93/68/698509368.db2.gz PABXIPMOTFZPCE-ROKHWSDSSA-N 0 1 311.426 1.898 10 0 DDAEMN CCc1cccc(F)c1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263520749 698511400 /nfs/dbraw/zinc/51/14/00/698511400.db2.gz QUCDNQNKSZIEPS-AWEZNQCLSA-N 0 1 324.396 1.605 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(c3ncc(F)cn3)C2)ccn1 ZINC000886068810 708691865 /nfs/dbraw/zinc/69/18/65/708691865.db2.gz VBVXSSTVKOMVSU-OAHLLOKOSA-N 0 1 317.368 1.730 10 0 DDAEMN CN1CCCC[C@H]1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899077864 708975962 /nfs/dbraw/zinc/97/59/62/708975962.db2.gz IWCFDXHNZSMKHW-ZFWWWQNUSA-N 0 1 303.410 1.413 10 0 DDAEMN Cc1c[nH]nc1CN[C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000888076054 709209286 /nfs/dbraw/zinc/20/92/86/709209286.db2.gz SQGFCUKWBOESJP-GOEBONIOSA-N 0 1 301.394 1.944 10 0 DDAEMN CN1CCOC[C@@H]1c1nc(CNc2nc3ccccc3o2)n[nH]1 ZINC000888099095 709213300 /nfs/dbraw/zinc/21/33/00/709213300.db2.gz RPRHEYCJAZKNSO-LLVKDONJSA-N 0 1 314.349 1.561 10 0 DDAEMN CN1CCOC[C@@H]1c1nnc(CNc2nc3ccccc3o2)[nH]1 ZINC000888099095 709213303 /nfs/dbraw/zinc/21/33/03/709213303.db2.gz RPRHEYCJAZKNSO-LLVKDONJSA-N 0 1 314.349 1.561 10 0 DDAEMN CN1C[C@H](O)C[C@@]1(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000900086495 709284638 /nfs/dbraw/zinc/28/46/38/709284638.db2.gz PVAPDFKMSJMZKM-KMFOADKKSA-N 0 1 308.344 1.679 10 0 DDAEMN O=C(CCC[C@H](O)c1ccccc1)N1CCC[C@H]1c1nn[nH]n1 ZINC000900392444 709571922 /nfs/dbraw/zinc/57/19/22/709571922.db2.gz ZBLGKOLXBQEAND-KBPBESRZSA-N 0 1 315.377 1.767 10 0 DDAEMN O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000908154399 712699553 /nfs/dbraw/zinc/69/95/53/712699553.db2.gz CKYYHIPBHNZJAO-AGIUHOORSA-N 0 1 319.409 1.581 10 0 DDAEMN C[C@H]1[C@H](O)CCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC000908697062 712836888 /nfs/dbraw/zinc/83/68/88/712836888.db2.gz KQLBDEVMSIRZQB-SLTXQBBLSA-N 0 1 310.438 1.249 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000081901506 192335843 /nfs/dbraw/zinc/33/58/43/192335843.db2.gz PGXVDLLEGGHQRT-QWRGUYRKSA-N 0 1 319.448 1.174 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1 ZINC000081925889 192340071 /nfs/dbraw/zinc/34/00/71/192340071.db2.gz YNWSVYKEDJVCNQ-LBPRGKRZSA-N 0 1 301.408 1.789 10 0 DDAEMN COc1nc(NN)nc(Nc2cccc(Br)c2)n1 ZINC000087896822 185235642 /nfs/dbraw/zinc/23/56/42/185235642.db2.gz RDJRPCJWVLGTEM-UHFFFAOYSA-N 0 1 311.143 1.672 10 0 DDAEMN C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C ZINC000176663400 539229661 /nfs/dbraw/zinc/22/96/61/539229661.db2.gz UMWWZHWKSQHXAD-NXEZZACHSA-N 0 1 314.332 1.198 10 0 DDAEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@H]1C ZINC000176663400 539229662 /nfs/dbraw/zinc/22/96/62/539229662.db2.gz UMWWZHWKSQHXAD-NXEZZACHSA-N 0 1 314.332 1.198 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000081975761 192348548 /nfs/dbraw/zinc/34/85/48/192348548.db2.gz MWLXGMFGXPBCQT-CQSZACIVSA-N 0 1 313.419 1.473 10 0 DDAEMN CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](C(=O)NC)C(C)C ZINC000183646831 539242528 /nfs/dbraw/zinc/24/25/28/539242528.db2.gz CBXQPYIYKORSGM-MRXNPFEDSA-N 0 1 323.412 1.534 10 0 DDAEMN CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(C=O)o2)CC1 ZINC000088541270 185255655 /nfs/dbraw/zinc/25/56/55/185255655.db2.gz FIZZUGKTTQDPAZ-UHFFFAOYSA-N 0 1 300.380 1.102 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N(C)CC(F)(F)F)o1 ZINC000088543983 185256717 /nfs/dbraw/zinc/25/67/17/185256717.db2.gz GPKUJEYUAIFCND-UHFFFAOYSA-N 0 1 314.329 1.960 10 0 DDAEMN CNCc1ncnn1Cc1cc(Br)ccc1OC ZINC000088628675 185260375 /nfs/dbraw/zinc/26/03/75/185260375.db2.gz CBOPUWJMRODWKT-UHFFFAOYSA-N 0 1 311.183 1.817 10 0 DDAEMN COc1ccc(C[C@H](C)N[C@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853979 185267203 /nfs/dbraw/zinc/26/72/03/185267203.db2.gz ZAODRNBWVBUNKJ-AAEUAGOBSA-N 0 1 311.403 1.535 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@H](N)c1ccc(OCC)cc1 ZINC000081977838 192349337 /nfs/dbraw/zinc/34/93/37/192349337.db2.gz XSYLZVPSMXXRRZ-ZDUSSCGKSA-N 0 1 315.391 1.063 10 0 DDAEMN COc1ccc([C@@H](N)[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990163 192350900 /nfs/dbraw/zinc/35/09/00/192350900.db2.gz MVURSHUVWTXBOM-ABAIWWIYSA-N 0 1 313.419 1.677 10 0 DDAEMN CCC[N@H+](Cc1ncc(Cl)n1C)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090530996 185301099 /nfs/dbraw/zinc/30/10/99/185301099.db2.gz PECXDTYUJXWBEU-UWVGGRQHSA-N 0 1 301.774 1.385 10 0 DDAEMN CCC[N@@H+](Cc1ncc(Cl)n1C)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090530996 185301100 /nfs/dbraw/zinc/30/11/00/185301100.db2.gz PECXDTYUJXWBEU-UWVGGRQHSA-N 0 1 301.774 1.385 10 0 DDAEMN CCCN(CCC)C(=O)C[N@@H+](CC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090472145 185298199 /nfs/dbraw/zinc/29/81/99/185298199.db2.gz YJNNRBOPEPDMHL-QWHCGFSZSA-N 0 1 300.399 1.057 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)n[nH]c1C ZINC000092666111 185332557 /nfs/dbraw/zinc/33/25/57/185332557.db2.gz NPTDTBAEVNEKBP-GFCCVEGCSA-N 0 1 300.428 1.131 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000092662048 185332568 /nfs/dbraw/zinc/33/25/68/185332568.db2.gz WBXIOQXJTINBPQ-VIFPVBQESA-N 0 1 312.395 1.077 10 0 DDAEMN C[C@@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1cccc(Cl)c1 ZINC000092780797 185340182 /nfs/dbraw/zinc/34/01/82/185340182.db2.gz SLSYUMNZPFPJJA-RNCFNFMXSA-N 0 1 304.781 1.955 10 0 DDAEMN CCn1cnc(S(=O)(=O)Nc2c(N)cccc2Cl)c1 ZINC000092889935 185347982 /nfs/dbraw/zinc/34/79/82/185347982.db2.gz AWDSTRKUUPDFOM-UHFFFAOYSA-N 0 1 300.771 1.939 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2cnc[nH]2)C1 ZINC000616662591 362772900 /nfs/dbraw/zinc/77/29/00/362772900.db2.gz CBHJSTSVHOITHE-LBPRGKRZSA-N 0 1 307.375 1.214 10 0 DDAEMN CCN(CC)C(=O)CCCSc1nnc(CN)n1C1CC1 ZINC000071376165 190963630 /nfs/dbraw/zinc/96/36/30/190963630.db2.gz WMPSAFMQYOXKRC-UHFFFAOYSA-N 0 1 311.455 1.812 10 0 DDAEMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000072165528 191064573 /nfs/dbraw/zinc/06/45/73/191064573.db2.gz WQCSNENEZFQUAR-JTQLQIEISA-N 0 1 307.375 1.814 10 0 DDAEMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000072165528 191064574 /nfs/dbraw/zinc/06/45/74/191064574.db2.gz WQCSNENEZFQUAR-JTQLQIEISA-N 0 1 307.375 1.814 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2cccnc2OC)CCN1C[C@@H](C)O ZINC000173272062 198205087 /nfs/dbraw/zinc/20/50/87/198205087.db2.gz YOYXUJIXVHTADH-CHWSQXEVSA-N 0 1 322.409 1.399 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000173579602 198230076 /nfs/dbraw/zinc/23/00/76/198230076.db2.gz RQDXDLUVORBCPJ-GFCCVEGCSA-N 0 1 304.325 1.720 10 0 DDAEMN C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1N1CCOCC1 ZINC000173850566 198260158 /nfs/dbraw/zinc/26/01/58/198260158.db2.gz ZEKISQBEWZSVOU-XHDPSFHLSA-N 0 1 304.394 1.080 10 0 DDAEMN NS(=O)(=O)N[C@@H]1c2c(cc(F)cc2Cl)CC1(F)F ZINC000210733545 354309390 /nfs/dbraw/zinc/30/93/90/354309390.db2.gz DXQPYCNDFRDILH-MRVPVSSYSA-N 0 1 300.689 1.505 10 0 DDAEMN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2[nH]nnc21 ZINC000074852812 191372072 /nfs/dbraw/zinc/37/20/72/191372072.db2.gz MPIJHCZSVLJMQK-UHFFFAOYSA-N 0 1 321.296 1.193 10 0 DDAEMN Cc1cc(C(=O)NCc2nnc[nH]2)sc1Br ZINC000081754392 192320582 /nfs/dbraw/zinc/32/05/82/192320582.db2.gz ZVMDELGRJSFXOL-UHFFFAOYSA-N 0 1 301.169 1.867 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000195176820 201352863 /nfs/dbraw/zinc/35/28/63/201352863.db2.gz OUYRZDGQYHVHBB-GOEBONIOSA-N 0 1 324.421 1.538 10 0 DDAEMN [NH3+]Cc1nc(C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])cs1 ZINC000090931789 192953718 /nfs/dbraw/zinc/95/37/18/192953718.db2.gz BHEOVHFVBRBTSP-UHFFFAOYSA-N 0 1 313.285 1.831 10 0 DDAEMN O=C1N(Cc2cccc(Br)c2)C[C@@H]2CNCCN12 ZINC000091750957 193102495 /nfs/dbraw/zinc/10/24/95/193102495.db2.gz JMVXCSWWKILDKA-LBPRGKRZSA-N 0 1 310.195 1.659 10 0 DDAEMN CNC(=O)[C@H]1CCCN1Cc1ccccc1N1CCOCC1 ZINC000092099659 193158211 /nfs/dbraw/zinc/15/82/11/193158211.db2.gz VZQOOXYGAKHHBQ-MRXNPFEDSA-N 0 1 303.406 1.234 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262507196 203313684 /nfs/dbraw/zinc/31/36/84/203313684.db2.gz JGIWWBCFWQARQP-IKGGRYGDSA-N 0 1 318.417 1.480 10 0 DDAEMN CCN(CC)c1ncc(CNCC(C)(C)S(C)(=O)=O)s1 ZINC000093520563 193263313 /nfs/dbraw/zinc/26/33/13/193263313.db2.gz ZHWNLFVNNKOHMJ-UHFFFAOYSA-N 0 1 319.496 1.902 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850547 193317064 /nfs/dbraw/zinc/31/70/64/193317064.db2.gz MEQZVOPEJCJCTM-YGRLFVJLSA-N 0 1 310.423 1.520 10 0 DDAEMN CCOC(=O)[C@@]1(NC2CC2)CC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC000093851944 193319208 /nfs/dbraw/zinc/31/92/08/193319208.db2.gz KCCLAFGKBIHHBY-BXUZGUMPSA-N 0 1 310.423 1.812 10 0 DDAEMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc(N)c1C ZINC000094358095 193364477 /nfs/dbraw/zinc/36/44/77/193364477.db2.gz WKYPPVBRPBEDSG-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN C[C@H](NCc1ccc(O)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000094209339 193349772 /nfs/dbraw/zinc/34/97/72/193349772.db2.gz KXGXEMLIFCYMEW-JTQLQIEISA-N 0 1 307.375 1.285 10 0 DDAEMN CCN1CCC(NS(=O)(=O)c2cc(N)cc(F)c2C)CC1 ZINC000094360078 193365319 /nfs/dbraw/zinc/36/53/19/193365319.db2.gz FXGKANARAYTQSN-UHFFFAOYSA-N 0 1 315.414 1.479 10 0 DDAEMN Cc1cscc1C(=O)N1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000094248277 193354556 /nfs/dbraw/zinc/35/45/56/193354556.db2.gz COEQDHMSLMPLBA-CYBMUJFWSA-N 0 1 307.419 1.093 10 0 DDAEMN CNCc1nc(C)ccc1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634572 193386129 /nfs/dbraw/zinc/38/61/29/193386129.db2.gz DASYZGAZMGRYAE-CHWSQXEVSA-N 0 1 312.435 1.844 10 0 DDAEMN Nc1ccc2[nH]c(S(=O)(=O)Cc3ccc(O)cc3)nc2c1 ZINC000094687556 193391820 /nfs/dbraw/zinc/39/18/20/193391820.db2.gz REHHTFOSKUIYCJ-UHFFFAOYSA-N 0 1 303.343 1.825 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)NCCN1CCCCC1 ZINC000094779527 193397058 /nfs/dbraw/zinc/39/70/58/193397058.db2.gz AOHCBEOAMZEGGV-UHFFFAOYSA-N 0 1 315.414 1.481 10 0 DDAEMN [NH3+][C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000038050579 182981691 /nfs/dbraw/zinc/98/16/91/182981691.db2.gz WFZQVMDEFCWGKH-IUCAKERBSA-N 0 1 308.325 1.652 10 0 DDAEMN CNC(=O)Cc1ccc(NS(=O)(=O)c2cccnc2)cc1 ZINC000038716316 183007360 /nfs/dbraw/zinc/00/73/60/183007360.db2.gz RVHQOZPQZXIPKK-UHFFFAOYSA-N 0 1 305.359 1.171 10 0 DDAEMN C[C@H]1CCCC[N@H+]1CCCNC(=O)N1CSC[C@H]1C(=O)[O-] ZINC000040537651 183096061 /nfs/dbraw/zinc/09/60/61/183096061.db2.gz WYUXQLGTYRQMGY-RYUDHWBXSA-N 0 1 315.439 1.420 10 0 DDAEMN CN1CCC[C@@H](Nc2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000040673426 183116293 /nfs/dbraw/zinc/11/62/93/183116293.db2.gz BVCLILCHYGMHEL-CYBMUJFWSA-N 0 1 309.435 1.633 10 0 DDAEMN NC(=O)c1cccc(CN2CCCN(c3cccnn3)CC2)c1 ZINC000105799792 194131241 /nfs/dbraw/zinc/13/12/41/194131241.db2.gz YBBCNBJYNVRPPJ-UHFFFAOYSA-N 0 1 311.389 1.288 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806905 194133578 /nfs/dbraw/zinc/13/35/78/194133578.db2.gz HEEAVZOOERJDAN-CQSZACIVSA-N 0 1 319.453 1.634 10 0 DDAEMN COC(=O)c1cc(F)ccc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105911899 194169210 /nfs/dbraw/zinc/16/92/10/194169210.db2.gz JVBLKZYBTHZLFX-CHWSQXEVSA-N 0 1 324.396 1.499 10 0 DDAEMN NC(=S)CN1CCN(Cc2cccc3cccnc32)CC1 ZINC000109442660 194263947 /nfs/dbraw/zinc/26/39/47/194263947.db2.gz DFGPHDPJTHSIBH-UHFFFAOYSA-N 0 1 300.431 1.639 10 0 DDAEMN Nc1cc(C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)ccc1Cl ZINC000061145180 184163168 /nfs/dbraw/zinc/16/31/68/184163168.db2.gz KPGZFIAWJDKXKU-UHFFFAOYSA-N 0 1 311.769 1.155 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000061644690 184180141 /nfs/dbraw/zinc/18/01/41/184180141.db2.gz RMJYXGQONSMZKF-SNVBAGLBSA-N 0 1 303.815 1.450 10 0 DDAEMN Nc1ccc(Cl)cc1NC(=O)CCN1CCNC(=O)CC1 ZINC000062099705 184205974 /nfs/dbraw/zinc/20/59/74/184205974.db2.gz CNKCTCFBDMXJKX-UHFFFAOYSA-N 0 1 310.785 1.073 10 0 DDAEMN O=S1(=O)CCC[C@@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000069142601 184501268 /nfs/dbraw/zinc/50/12/68/184501268.db2.gz FSUXJRZVMNPUQX-SNVBAGLBSA-N 0 1 317.794 1.736 10 0 DDAEMN C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247963356 257112962 /nfs/dbraw/zinc/11/29/62/257112962.db2.gz GHCXTLZMOSSDEH-SWLSCSKDSA-N 0 1 308.403 1.617 10 0 DDAEMN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2N1C(C)C ZINC000247981140 257113272 /nfs/dbraw/zinc/11/32/72/257113272.db2.gz HGZWHQYLEADZTA-MELADBBJSA-N 0 1 321.446 1.417 10 0 DDAEMN Cn1cc(CN2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)cn1 ZINC000096186086 257133659 /nfs/dbraw/zinc/13/36/59/257133659.db2.gz FHGGPJVKIBCORM-ULQDDVLXSA-N 0 1 305.422 1.969 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000121837548 195359265 /nfs/dbraw/zinc/35/92/65/195359265.db2.gz FYSXLZQMRCOGCR-INIZCTEOSA-N 0 1 322.453 1.954 10 0 DDAEMN COC[C@H](N)C(=O)N(C)Cc1cc(Br)cs1 ZINC000088003272 130049775 /nfs/dbraw/zinc/04/97/75/130049775.db2.gz PIUMDQHUOHVPIH-VIFPVBQESA-N 0 1 307.213 1.443 10 0 DDAEMN CCOC(=O)CCN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000171613929 285704063 /nfs/dbraw/zinc/70/40/63/285704063.db2.gz KRSCJJWDPDNWLL-OAHLLOKOSA-N 0 1 306.406 1.571 10 0 DDAEMN CC(C)(C)OC(=O)[C@H]1CN([C@@H](C(=O)[O-])c2ccsc2)[C@H]1[NH3+] ZINC000100339120 407307659 /nfs/dbraw/zinc/30/76/59/407307659.db2.gz RUAXIWPBNOJHME-HBNTYKKESA-N 0 1 312.391 1.432 10 0 DDAEMN CCOCCC1(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCC1 ZINC000122676250 407308148 /nfs/dbraw/zinc/30/81/48/407308148.db2.gz LLVVZDIHDHNVHV-CYBMUJFWSA-N 0 1 322.409 1.610 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCCn3nc(C)nc32)n[nH]1 ZINC000124895403 407373342 /nfs/dbraw/zinc/37/33/42/407373342.db2.gz AMNSFFYFVUONKC-NOZJJQNGSA-N 0 1 317.397 1.383 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CCC(Cn2cccn2)CC1 ZINC000125920751 407401263 /nfs/dbraw/zinc/40/12/63/407401263.db2.gz BPJRVBJOTJTGRT-UHFFFAOYSA-N 0 1 310.361 1.707 10 0 DDAEMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127554970 407439798 /nfs/dbraw/zinc/43/97/98/407439798.db2.gz AQKIPXKGZDSSJV-GFCCVEGCSA-N 0 1 310.361 1.707 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1nncn1C1CC1 ZINC000112905693 407445858 /nfs/dbraw/zinc/44/58/58/407445858.db2.gz YNEGVLKJCMHTJW-HNNXBMFYSA-N 0 1 313.405 1.402 10 0 DDAEMN COC(=O)[C@@]1(C)CCCN1CCC(=O)N1CCc2ccccc21 ZINC000186347391 407645865 /nfs/dbraw/zinc/64/58/65/407645865.db2.gz RXQQXAGWIDBCHX-GOSISDBHSA-N 0 1 316.401 1.993 10 0 DDAEMN Cc1csc(=O)n1CCN1CCCN(c2cccnn2)CC1 ZINC000171547769 407700252 /nfs/dbraw/zinc/70/02/52/407700252.db2.gz LOJWLQZBVUCNMQ-UHFFFAOYSA-N 0 1 319.434 1.221 10 0 DDAEMN COC[C@@H](N)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000262055091 407725653 /nfs/dbraw/zinc/72/56/53/407725653.db2.gz HUWHQRCPBGJDJB-CYBMUJFWSA-N 0 1 320.389 1.317 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000262208812 407765653 /nfs/dbraw/zinc/76/56/53/407765653.db2.gz DSEPHYOFDUYZBG-AWEZNQCLSA-N 0 1 319.336 1.603 10 0 DDAEMN Cc1cccc(NC[C@H]2CCN(Cc3noc(CN)n3)C2)n1 ZINC000262237023 407773566 /nfs/dbraw/zinc/77/35/66/407773566.db2.gz ORSCPSOOJXLGDB-GFCCVEGCSA-N 0 1 302.382 1.166 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2ccccc2OC)CCCC1 ZINC000262361729 407812532 /nfs/dbraw/zinc/81/25/32/407812532.db2.gz VPNOFWKTRBTFBV-CQSZACIVSA-N 0 1 306.406 1.597 10 0 DDAEMN C[C@@H](C(=O)Nc1ccccc1)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262447988 407837421 /nfs/dbraw/zinc/83/74/21/407837421.db2.gz DHVGAZQPZGBILF-ZDUSSCGKSA-N 0 1 319.405 1.494 10 0 DDAEMN CCc1cc(=O)n2nc(N[C@H](C)Cc3cc(C)n[nH]3)sc2n1 ZINC000133517228 407854561 /nfs/dbraw/zinc/85/45/61/407854561.db2.gz TZSPMKLPXITKCB-MRVPVSSYSA-N 0 1 318.406 1.788 10 0 DDAEMN Cn1c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nnc1C1CC1 ZINC000262562501 407867579 /nfs/dbraw/zinc/86/75/79/407867579.db2.gz WVBDEDVHFPSXDC-XQQFMLRXSA-N 0 1 304.394 1.910 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)OCC3CC3)CCO2)n[nH]1 ZINC000173561277 407888040 /nfs/dbraw/zinc/88/80/40/407888040.db2.gz QDYSBVNHFDFDSL-ZYHUDNBSSA-N 0 1 308.382 1.082 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000262895147 407962875 /nfs/dbraw/zinc/96/28/75/407962875.db2.gz HKQNWMHTLUHEKJ-UHFFFAOYSA-N 0 1 322.380 1.766 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000174627835 407970507 /nfs/dbraw/zinc/97/05/07/407970507.db2.gz AIFWNMVPFHMLOK-NVXWUHKLSA-N 0 1 304.434 1.841 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2cnn(C)c2C)CCN1CCOC ZINC000135102430 407973902 /nfs/dbraw/zinc/97/39/02/407973902.db2.gz ILZWXYVRVWRGCV-INIZCTEOSA-N 0 1 322.453 1.230 10 0 DDAEMN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000262759133 407919481 /nfs/dbraw/zinc/91/94/81/407919481.db2.gz IWPOFWUTVJOBRU-IONNQARKSA-N 0 1 308.325 1.380 10 0 DDAEMN CC[C@H](CC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)C(C)C ZINC000263015970 408004507 /nfs/dbraw/zinc/00/45/07/408004507.db2.gz ZLEAFBTWCVILFW-ZIAGYGMSSA-N 0 1 314.426 1.303 10 0 DDAEMN C[C@H](O)CN1CCN(CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000245560196 408015228 /nfs/dbraw/zinc/01/52/28/408015228.db2.gz MNKCQBLIQHGFIG-KGLIPLIRSA-N 0 1 308.397 1.785 10 0 DDAEMN CCCn1c(C)nnc1CN1CCN(CCOC)[C@@H](CC)C1 ZINC000245805465 408071823 /nfs/dbraw/zinc/07/18/23/408071823.db2.gz PVVMLHIZCBZVEV-HNNXBMFYSA-N 0 1 309.458 1.539 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(C[C@H](O)CC)CC1 ZINC000182195378 408089562 /nfs/dbraw/zinc/08/95/62/408089562.db2.gz JLNJRMBKQREELV-CABCVRRESA-N 0 1 300.443 1.353 10 0 DDAEMN O=C1CCCN1C[C@H](O)CN1CCOC2(C1)CCCCCC2 ZINC000119564432 408096702 /nfs/dbraw/zinc/09/67/02/408096702.db2.gz QGRIYCYJTRNTCT-OAHLLOKOSA-N 0 1 310.438 1.395 10 0 DDAEMN Cc1ccc2nc(CN3C[C@@H](C)[C@H](N4CCOCC4)C3)cn2c1 ZINC000175587712 408168787 /nfs/dbraw/zinc/16/87/87/408168787.db2.gz XOUXZWHTWGSLFA-NVXWUHKLSA-N 0 1 314.433 1.795 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000246695153 408317490 /nfs/dbraw/zinc/31/74/90/408317490.db2.gz YZUWZZZFEUCRCV-ZYHUDNBSSA-N 0 1 318.389 1.972 10 0 DDAEMN CCN(CC(=O)N[C@@H](CC(=O)OC)c1ccccc1)C1CC1 ZINC000151268085 408285558 /nfs/dbraw/zinc/28/55/58/408285558.db2.gz YRMNMJMFIVZLEY-HNNXBMFYSA-N 0 1 304.390 1.891 10 0 DDAEMN Cc1cc(CC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)[nH]n1 ZINC000176157550 408298115 /nfs/dbraw/zinc/29/81/15/408298115.db2.gz NLCSUIDCXTXMKM-SNVBAGLBSA-N 0 1 310.398 1.680 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@H]1C ZINC000246617441 408303399 /nfs/dbraw/zinc/30/33/99/408303399.db2.gz CVCCIHRSZIXAEX-KGLIPLIRSA-N 0 1 308.397 1.672 10 0 DDAEMN Cc1nnc(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)s1 ZINC000131694710 162020807 /nfs/dbraw/zinc/02/08/07/162020807.db2.gz QKMLBTXOHRWRKY-LLVKDONJSA-N 0 1 301.375 1.836 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@H](C)SC)CCO2)n[nH]1 ZINC000133751242 162064803 /nfs/dbraw/zinc/06/48/03/162064803.db2.gz USRPOQVEQVEJHT-VHSXEESVSA-N 0 1 313.427 1.202 10 0 DDAEMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCCO1 ZINC000183139543 408336198 /nfs/dbraw/zinc/33/61/98/408336198.db2.gz AABOTERLAVSEEP-BXUZGUMPSA-N 0 1 303.362 1.129 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000246809207 408345700 /nfs/dbraw/zinc/34/57/00/408345700.db2.gz KLOPAWSQEFDTBF-RRFJBIMHSA-N 0 1 300.443 1.495 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173516200 162345735 /nfs/dbraw/zinc/34/57/35/162345735.db2.gz GPDMANAYELADLT-HNNXBMFYSA-N 0 1 314.389 1.873 10 0 DDAEMN COc1ccc(F)cc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173516484 162346012 /nfs/dbraw/zinc/34/60/12/162346012.db2.gz APBKZAWNAORVNO-ZDUSSCGKSA-N 0 1 320.324 1.475 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3ccn(-c4ccccc4)n3)CCO2)n[nH]1 ZINC000173658709 162353231 /nfs/dbraw/zinc/35/32/31/162353231.db2.gz UBVSUWJHNZSHFG-MRXNPFEDSA-N 0 1 324.388 1.872 10 0 DDAEMN CN(CC1CCCCC1)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173953453 162380980 /nfs/dbraw/zinc/38/09/80/162380980.db2.gz FJCXGKKJPRBCKW-KRWDZBQOSA-N 0 1 323.481 1.432 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H]2CCCOC2)C[C@H]1CC ZINC000247113271 408409405 /nfs/dbraw/zinc/40/94/05/408409405.db2.gz NMLNLHGLSNOPTD-LSDHHAIUSA-N 0 1 313.442 1.308 10 0 DDAEMN Cc1nc(C)c(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000176951599 408482086 /nfs/dbraw/zinc/48/20/86/408482086.db2.gz AIOKVVJJVDZABP-JOYOIKCWSA-N 0 1 317.480 1.767 10 0 DDAEMN CCOC(=O)[C@H](CC)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000247513300 408486335 /nfs/dbraw/zinc/48/63/35/408486335.db2.gz MSOPGQVPHUITOQ-CABCVRRESA-N 0 1 308.426 1.949 10 0 DDAEMN CCN(CC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1)C1CC1 ZINC000191778489 408487820 /nfs/dbraw/zinc/48/78/20/408487820.db2.gz VSHRVDMDOLCRHI-OAHLLOKOSA-N 0 1 306.410 1.287 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ccnn2C(C)C)CCN1C[C@H](C)O ZINC000247566150 408493653 /nfs/dbraw/zinc/49/36/53/408493653.db2.gz RFXXJDAGRQQPRC-KBPBESRZSA-N 0 1 323.441 1.773 10 0 DDAEMN CC(C)[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)N1CCN(C)CC1 ZINC000191677481 408469802 /nfs/dbraw/zinc/46/98/02/408469802.db2.gz JFQPAUBZFBXRSJ-OAGGEKHMSA-N 0 1 311.470 1.190 10 0 DDAEMN C[C@H]1CN(CC(=O)NCCC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177234705 408560763 /nfs/dbraw/zinc/56/07/63/408560763.db2.gz UWFONQFMIVBCQB-GJZGRUSLSA-N 0 1 311.470 1.191 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)c2cccnc2)CCN1C[C@H](C)O ZINC000248452260 408572060 /nfs/dbraw/zinc/57/20/60/408572060.db2.gz KGJMCJQVMXRXTR-SQWLQELKSA-N 0 1 320.437 1.629 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C12CCOCC2 ZINC000248581046 408593591 /nfs/dbraw/zinc/59/35/91/408593591.db2.gz SEZREAZJWWXWDT-ARFHVFGLSA-N 0 1 324.465 1.951 10 0 DDAEMN CC[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCN1C[C@H](C)O ZINC000248876606 408650352 /nfs/dbraw/zinc/65/03/52/408650352.db2.gz CVZYTAWJORAMCU-AAEUAGOBSA-N 0 1 306.410 1.204 10 0 DDAEMN C[C@@H]1CC[C@H](CN2CCN(C[C@@H](O)c3ccccc3)CC2)O1 ZINC000248887786 408654091 /nfs/dbraw/zinc/65/40/91/408654091.db2.gz HOTCHTVTPKZCAU-KBAYOESNSA-N 0 1 304.434 1.905 10 0 DDAEMN CN(CC1CC1)C(=O)CN1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249559736 408743351 /nfs/dbraw/zinc/74/33/51/408743351.db2.gz LFDYHCLKCLUMSM-HUUCEWRRSA-N 0 1 308.447 1.624 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000252442872 408794404 /nfs/dbraw/zinc/79/44/04/408794404.db2.gz FBZUHJNUTOKEJI-CHWSQXEVSA-N 0 1 309.435 1.917 10 0 DDAEMN CC1CC(Nc2nc[nH]c(=O)c2I)C1 ZINC000165350586 408810977 /nfs/dbraw/zinc/81/09/77/408810977.db2.gz DXDYYBOYZAWJCA-UHFFFAOYSA-N 0 1 305.119 1.585 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C1 ZINC000194148609 408767240 /nfs/dbraw/zinc/76/72/40/408767240.db2.gz VQBJYKBHSYUFKY-CQSZACIVSA-N 0 1 303.406 1.842 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000194158285 408768359 /nfs/dbraw/zinc/76/83/59/408768359.db2.gz SQFRJWBXPGFDOM-ZDUSSCGKSA-N 0 1 318.421 1.292 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3cccs3)CCO2)n[nH]1 ZINC000178075415 408769336 /nfs/dbraw/zinc/76/93/36/408769336.db2.gz IKSDFGPEAJMJNP-LLVKDONJSA-N 0 1 321.406 1.712 10 0 DDAEMN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195051944 163304725 /nfs/dbraw/zinc/30/47/25/163304725.db2.gz LLEJLTFZRBGJHQ-QWHCGFSZSA-N 0 1 311.426 1.596 10 0 DDAEMN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195051944 163304730 /nfs/dbraw/zinc/30/47/30/163304730.db2.gz LLEJLTFZRBGJHQ-QWHCGFSZSA-N 0 1 311.426 1.596 10 0 DDAEMN O=C(CN1CC[C@@H](CNc2ccccn2)C1)N1CCCCC1 ZINC000195515690 163327228 /nfs/dbraw/zinc/32/72/28/163327228.db2.gz ZKCRGXMMCJVALL-HNNXBMFYSA-N 0 1 302.422 1.828 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000313304814 409803026 /nfs/dbraw/zinc/80/30/26/409803026.db2.gz HPHXRTXOIOLEBB-MFKMUULPSA-N 0 1 318.826 1.309 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCc2ccc(O)cc2)C[C@H]1C ZINC000180073558 287088873 /nfs/dbraw/zinc/08/88/73/287088873.db2.gz NKQDIWUVVSDSFV-ZIAGYGMSSA-N 0 1 306.406 1.238 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3C(C)C)CCO2)n[nH]1 ZINC000365498511 418868237 /nfs/dbraw/zinc/86/82/37/418868237.db2.gz OYECRRPYYICEDS-RWMBFGLXSA-N 0 1 308.382 1.074 10 0 DDAEMN CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ncc(OC)cn1 ZINC000645729088 423157728 /nfs/dbraw/zinc/15/77/28/423157728.db2.gz VXPVXJFWQJSHIO-CHWSQXEVSA-N 0 1 304.394 1.574 10 0 DDAEMN COCCn1nc(C)c(CNc2ccncc2C(N)=O)c1C ZINC000302226076 230182296 /nfs/dbraw/zinc/18/22/96/230182296.db2.gz PIGJGZYGHJUWOU-UHFFFAOYSA-N 0 1 303.366 1.252 10 0 DDAEMN O[C@@H]1C[C@H](NCc2ccc(N3CCCC3)nc2)[C@H]1n1cccn1 ZINC000657516484 424394752 /nfs/dbraw/zinc/39/47/52/424394752.db2.gz WLIIMUNERWFFNN-ZMSDIMECSA-N 0 1 313.405 1.342 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)N(C)C1 ZINC000344623880 272073235 /nfs/dbraw/zinc/07/32/35/272073235.db2.gz NGUBOVMSRLGFHW-BBRMVZONSA-N 0 1 319.380 1.685 10 0 DDAEMN O=C(NCCCCN1CCOCC1)N[C@H]1COc2ccccc21 ZINC000060587185 280912930 /nfs/dbraw/zinc/91/29/30/280912930.db2.gz YGILIGXWNVHXGV-HNNXBMFYSA-N 0 1 319.405 1.532 10 0 DDAEMN CCN(C(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000105933658 281051653 /nfs/dbraw/zinc/05/16/53/281051653.db2.gz LMPPIQPVHPNYAZ-GDBMZVCRSA-N 0 1 305.422 1.348 10 0 DDAEMN CCOCCN1CCN(C(=O)NCC(C)(C)OC)C[C@H]1CC ZINC000173235383 298254001 /nfs/dbraw/zinc/25/40/01/298254001.db2.gz OGTKEJHTDDNRQH-CQSZACIVSA-N 0 1 315.458 1.554 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1O ZINC000375427676 307225677 /nfs/dbraw/zinc/22/56/77/307225677.db2.gz SBGDRRSGNKHISJ-JTNHKYCSSA-N 0 1 306.410 1.165 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1O ZINC000375427676 307225678 /nfs/dbraw/zinc/22/56/78/307225678.db2.gz SBGDRRSGNKHISJ-JTNHKYCSSA-N 0 1 306.410 1.165 10 0 DDAEMN CCc1noc([C@H](C)N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000245628676 484215074 /nfs/dbraw/zinc/21/50/74/484215074.db2.gz PLYIPIAQJFUOKR-BFHYXJOUSA-N 0 1 308.426 1.614 10 0 DDAEMN O=S1(=O)CC[C@H](CCN2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000677692960 486525153 /nfs/dbraw/zinc/52/51/53/486525153.db2.gz LRYLZSNIAOXNTQ-RRFJBIMHSA-N 0 1 301.452 1.438 10 0 DDAEMN CC(=O)N1CC[C@H](C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)C1 ZINC000328748656 526656782 /nfs/dbraw/zinc/65/67/82/526656782.db2.gz QOTJQVQBZCQEJW-STQMWFEESA-N 0 1 305.382 1.035 10 0 DDAEMN O[C@H](CN1CC[C@H](N2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000173949995 697382496 /nfs/dbraw/zinc/38/24/96/697382496.db2.gz SUBHYORQEIGUDR-XJKSGUPXSA-N 0 1 312.360 1.405 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccnn1C ZINC000185813245 697524546 /nfs/dbraw/zinc/52/45/46/697524546.db2.gz LHZVOUQLOHCOHI-INIZCTEOSA-N 0 1 300.406 1.252 10 0 DDAEMN O=C(NC[C@H](O)CN1CCc2ccccc2C1)OCC1CC1 ZINC000192886279 697642796 /nfs/dbraw/zinc/64/27/96/697642796.db2.gz QFVIQOLPIKIJKA-INIZCTEOSA-N 0 1 304.390 1.542 10 0 DDAEMN C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000247397645 698365784 /nfs/dbraw/zinc/36/57/84/698365784.db2.gz YAQWJHNJDCAKME-BFQNTYOBSA-N 0 1 314.376 1.385 10 0 DDAEMN CCCS(=O)(=O)N1CCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000261994100 698449764 /nfs/dbraw/zinc/44/97/64/698449764.db2.gz SSATZDZIHZISPE-SNVBAGLBSA-N 0 1 314.411 1.284 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000262273693 698462451 /nfs/dbraw/zinc/46/24/51/698462451.db2.gz KTWKBYYLLRJGCM-GFCCVEGCSA-N 0 1 303.189 1.852 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000262288109 698462878 /nfs/dbraw/zinc/46/28/78/698462878.db2.gz MNZQISKNOMQESF-GFCCVEGCSA-N 0 1 315.776 1.101 10 0 DDAEMN C[C@@H](C(=O)[O-])[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000263105206 698491418 /nfs/dbraw/zinc/49/14/18/698491418.db2.gz KNBONBDJANDPRY-JTQLQIEISA-N 0 1 320.345 1.681 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000263312817 698499419 /nfs/dbraw/zinc/49/94/19/698499419.db2.gz ZBDOTMBDPVBPAR-BPCQOVAHSA-N 0 1 311.426 1.802 10 0 DDAEMN CCc1cccc(F)c1CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263520750 698511480 /nfs/dbraw/zinc/51/14/80/698511480.db2.gz QUCDNQNKSZIEPS-CQSZACIVSA-N 0 1 324.396 1.605 10 0 DDAEMN CNC(=O)C[C@]1(O)CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000886085527 708695329 /nfs/dbraw/zinc/69/53/29/708695329.db2.gz TUDHKERLQFBHFC-QGZVFWFLSA-N 0 1 320.437 1.461 10 0 DDAEMN CNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2nn[nH]n2)c1 ZINC000900389068 709568308 /nfs/dbraw/zinc/56/83/08/709568308.db2.gz BTRXNCNVCINCJU-LLVKDONJSA-N 0 1 306.757 1.872 10 0 DDAEMN COc1ccc2c(c1)[C@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)CC2 ZINC000900391263 709570966 /nfs/dbraw/zinc/57/09/66/709570966.db2.gz BYPIBOKLUCZDIC-OCCSQVGLSA-N 0 1 313.361 1.602 10 0 DDAEMN CC[C@@H](O)[C@@H](C)C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000908094355 712685392 /nfs/dbraw/zinc/68/53/92/712685392.db2.gz WQSIQFUHBXBDBO-FOUMNBMASA-N 0 1 322.409 1.378 10 0 DDAEMN CCCCOCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248456725 282085080 /nfs/dbraw/zinc/08/50/80/282085080.db2.gz NZEUVGCQQHWJAQ-GJZGRUSLSA-N 0 1 315.458 1.290 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CCN1C[C@@H](C)O ZINC000248457868 282085095 /nfs/dbraw/zinc/08/50/95/282085095.db2.gz PIJURTFBKKVNCA-LALPHHSUSA-N 0 1 322.453 1.434 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1C[C@@H](C)O ZINC000248484654 282087002 /nfs/dbraw/zinc/08/70/02/282087002.db2.gz KDQFTWKHTRDIBN-IIAWOOMASA-N 0 1 313.442 1.042 10 0 DDAEMN CC[C@H](CCNC(=O)NCC[N@@H+](C)C(C)C)CCC(=O)[O-] ZINC000079215393 185161486 /nfs/dbraw/zinc/16/14/86/185161486.db2.gz CTCMZCFNEAGBQA-ZDUSSCGKSA-N 0 1 301.431 1.907 10 0 DDAEMN Brc1cnn(-c2nnc(CNC3CC3)s2)c1 ZINC000087698583 185230749 /nfs/dbraw/zinc/23/07/49/185230749.db2.gz XPFZVJGRYJJSDD-UHFFFAOYSA-N 0 1 300.185 1.738 10 0 DDAEMN Cc1nnc(SCC(=O)[O-])n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088165010 185240948 /nfs/dbraw/zinc/24/09/48/185240948.db2.gz HPCIUFZFBSZAIN-FOSCPWQOSA-N 0 1 310.423 1.951 10 0 DDAEMN O=S(=O)(c1ccc(CO)o1)N1CC[C@H](N2CCCCC2)C1 ZINC000088552237 185257589 /nfs/dbraw/zinc/25/75/89/185257589.db2.gz VTCNWFSLTPGGLE-LBPRGKRZSA-N 0 1 314.407 1.021 10 0 DDAEMN C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCNC[C@@H]1C(=O)[O-] ZINC000088658964 185261791 /nfs/dbraw/zinc/26/17/91/185261791.db2.gz FBINAMBTJIAQKZ-BXKDBHETSA-N 0 1 300.305 1.707 10 0 DDAEMN C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCNC[C@@H]1C(=O)[O-] ZINC000088658964 185261792 /nfs/dbraw/zinc/26/17/92/185261792.db2.gz FBINAMBTJIAQKZ-BXKDBHETSA-N 0 1 300.305 1.707 10 0 DDAEMN Nc1cc(C(=O)NCc2cnc[nH]2)c(Br)cc1F ZINC000088750386 185264093 /nfs/dbraw/zinc/26/40/93/185264093.db2.gz KKYWNYZDJOONPC-UHFFFAOYSA-N 0 1 313.130 1.824 10 0 DDAEMN O=S1(=O)C=C[C@H](N[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000088855330 185267281 /nfs/dbraw/zinc/26/72/81/185267281.db2.gz OTAOXAMXDLSDRC-HOTGVXAUSA-N 0 1 306.431 1.204 10 0 DDAEMN COCCCS(=O)(=O)[C@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000081985895 192349612 /nfs/dbraw/zinc/34/96/12/192349612.db2.gz HBCDPQAVZVLMAW-BXUZGUMPSA-N 0 1 301.408 1.535 10 0 DDAEMN Cc1ncc(/C=C\C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)s1 ZINC000254990636 282223328 /nfs/dbraw/zinc/22/33/28/282223328.db2.gz QOOBAFLAQQVEMD-DFPOMNKCSA-N 0 1 309.435 1.378 10 0 DDAEMN COc1cc([C@@H]2NC[C@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341147 185292203 /nfs/dbraw/zinc/29/22/03/185292203.db2.gz QAGMVVVKBSOYRJ-WPPNPWJKSA-N 0 1 316.810 1.936 10 0 DDAEMN CN[C@H](C[S@@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999610 192353754 /nfs/dbraw/zinc/35/37/54/192353754.db2.gz BQGPQIAFKPZTJX-SPLOXXLWSA-N 0 1 315.435 1.750 10 0 DDAEMN C[N@H+]1CC[C@H](Cn2c(SCC(=O)[O-])nc3cccnc32)C1 ZINC000092532023 185324507 /nfs/dbraw/zinc/32/45/07/185324507.db2.gz HXNOLEUBXBTWJP-JTQLQIEISA-N 0 1 306.391 1.560 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092622629 185329616 /nfs/dbraw/zinc/32/96/16/185329616.db2.gz OQORTESRJUMQKI-LLVKDONJSA-N 0 1 315.414 1.513 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)c1ccc(S(C)(=O)=O)cc1N ZINC000092624150 185329958 /nfs/dbraw/zinc/32/99/58/185329958.db2.gz DEPRKGRVMLHDPU-GFCCVEGCSA-N 0 1 311.451 1.593 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000092627879 185330216 /nfs/dbraw/zinc/33/02/16/185330216.db2.gz YOLFMTVDFRZLNK-CYBMUJFWSA-N 0 1 300.399 1.931 10 0 DDAEMN CCCS(=O)(=O)CCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000181756311 199348104 /nfs/dbraw/zinc/34/81/04/199348104.db2.gz VJXSVICUNNYVCF-GFCCVEGCSA-N 0 1 313.419 1.933 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1cccc(F)c1N ZINC000070446112 190893940 /nfs/dbraw/zinc/89/39/40/190893940.db2.gz RKKUAZLCLVUPNU-LLVKDONJSA-N 0 1 317.430 1.663 10 0 DDAEMN CN(Cc1nnc[nH]1)S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000080511705 192163144 /nfs/dbraw/zinc/16/31/44/192163144.db2.gz AWDKLWOTNFFSRY-UHFFFAOYSA-N 0 1 319.749 1.000 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCCOC)c1ccc2c(c1)OCO2 ZINC000083985545 192394391 /nfs/dbraw/zinc/39/43/91/192394391.db2.gz OKCYAOYTTUJPGS-LBPRGKRZSA-N 0 1 315.391 1.127 10 0 DDAEMN COc1ccc2nc([C@@H](C)N3CCN(C(C)=O)CC3)[nH]c2c1 ZINC000071675546 191006125 /nfs/dbraw/zinc/00/61/25/191006125.db2.gz MQIDQCZTKAYJTE-LLVKDONJSA-N 0 1 302.378 1.797 10 0 DDAEMN COC(=O)[C@H](CC(C)C)NC(=O)Cc1csc([C@H](C)N)n1 ZINC000071695931 191008755 /nfs/dbraw/zinc/00/87/55/191008755.db2.gz ROVSJAFYKWBJAD-ONGXEEELSA-N 0 1 313.423 1.409 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000183877895 186226436 /nfs/dbraw/zinc/22/64/36/186226436.db2.gz RKYYFFFYTBSEPE-OAHLLOKOSA-N 0 1 319.430 1.802 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2cc(C)no2)C[C@H]1CC ZINC000172129847 198043521 /nfs/dbraw/zinc/04/35/21/198043521.db2.gz VJPILLYTJOVSKF-CQSZACIVSA-N 0 1 324.425 1.625 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3sccc3OC)CCO2)n[nH]1 ZINC000173576399 198229130 /nfs/dbraw/zinc/22/91/30/198229130.db2.gz IONWZUCPYFGJGZ-JTQLQIEISA-N 0 1 322.390 1.651 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(Cl)ccn3)CCO2)n[nH]1 ZINC000173566905 198227752 /nfs/dbraw/zinc/22/77/52/198227752.db2.gz ZFFASIBXJIAHDI-LLVKDONJSA-N 0 1 321.768 1.629 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccc(C)c3O)CCO2)n[nH]1 ZINC000173756670 198248552 /nfs/dbraw/zinc/24/85/52/198248552.db2.gz MBEKJHKRRFGVSE-LBPRGKRZSA-N 0 1 316.361 1.595 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000174082345 198289576 /nfs/dbraw/zinc/28/95/76/198289576.db2.gz PNXHBSBJTPPCEA-KRWDZBQOSA-N 0 1 315.421 1.156 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(CC)c2ccccc2)CC1 ZINC000174088456 198290194 /nfs/dbraw/zinc/29/01/94/198290194.db2.gz IJXLDEBUYHRXJX-QGZVFWFLSA-N 0 1 319.449 1.428 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174174347 198301759 /nfs/dbraw/zinc/30/17/59/198301759.db2.gz XVGYQQJLERJKRE-SNVBAGLBSA-N 0 1 309.370 1.020 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)NC1 ZINC000080097597 192000323 /nfs/dbraw/zinc/00/03/23/192000323.db2.gz COXSLPDJUNXKEQ-WDEREUQCSA-N 0 1 308.325 1.787 10 0 DDAEMN CC(C)OCCCNC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992874 192210407 /nfs/dbraw/zinc/21/04/07/192210407.db2.gz SHSUXASDIGXIGR-CYBMUJFWSA-N 0 1 300.399 1.247 10 0 DDAEMN CC(C)OCCCNC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992874 192210411 /nfs/dbraw/zinc/21/04/11/192210411.db2.gz SHSUXASDIGXIGR-CYBMUJFWSA-N 0 1 300.399 1.247 10 0 DDAEMN Ic1ccc(NC[C@H]2COCCN2)nc1 ZINC000600862614 358331328 /nfs/dbraw/zinc/33/13/28/358331328.db2.gz CRAIKPOGJHZEDR-VIFPVBQESA-N 0 1 319.146 1.087 10 0 DDAEMN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)c2ccccc21 ZINC000237434657 202265886 /nfs/dbraw/zinc/26/58/86/202265886.db2.gz DSUVQGRXYGIQME-UGFHNGPFSA-N 0 1 324.446 1.503 10 0 DDAEMN CSC1(C(N)=S)CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091478932 193062534 /nfs/dbraw/zinc/06/25/34/193062534.db2.gz VEFFTKWOJDZFCY-JTQLQIEISA-N 0 1 317.524 1.773 10 0 DDAEMN CC[C@@H](C)NC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091487530 193063112 /nfs/dbraw/zinc/06/31/12/193063112.db2.gz IKWGIHLVQRIAJV-SNVBAGLBSA-N 0 1 303.497 1.385 10 0 DDAEMN CSC1(C(N)=S)CCN([C@@H](C)C(=O)NC(C)C)CC1 ZINC000091488300 193063278 /nfs/dbraw/zinc/06/32/78/193063278.db2.gz XEFNQZVMYQSBJO-JTQLQIEISA-N 0 1 303.497 1.383 10 0 DDAEMN Cc1ncccc1NS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000091497230 193064024 /nfs/dbraw/zinc/06/40/24/193064024.db2.gz ZJAOJRSUFGWJEF-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN COCc1nc([C@@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687427 193092042 /nfs/dbraw/zinc/09/20/42/193092042.db2.gz VYZKSGXMWWGDFT-QMMMGPOBSA-N 0 1 318.171 1.094 10 0 DDAEMN CNc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092005711 193140736 /nfs/dbraw/zinc/14/07/36/193140736.db2.gz BXGIBYWPVHIXBG-KGLIPLIRSA-N 0 1 309.435 1.586 10 0 DDAEMN CC[N@@H+]1CCO[C@@H](CN(CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000092059586 193149839 /nfs/dbraw/zinc/14/98/39/193149839.db2.gz WAYNVERJXRWPOY-CQSZACIVSA-N 0 1 312.797 1.952 10 0 DDAEMN CC[N@H+]1CCO[C@@H](CN(CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000092059586 193149841 /nfs/dbraw/zinc/14/98/41/193149841.db2.gz WAYNVERJXRWPOY-CQSZACIVSA-N 0 1 312.797 1.952 10 0 DDAEMN C[C@@H]1CCC[C@@H](NC(=O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)[C@@H]1C ZINC000625579375 367028463 /nfs/dbraw/zinc/02/84/63/367028463.db2.gz DHUFAJKFWYNDDE-CVXDVXMKSA-N 0 1 320.437 1.770 10 0 DDAEMN C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)N(C)CC(C)(C)O ZINC000092967132 193189680 /nfs/dbraw/zinc/18/96/80/193189680.db2.gz SUVMANPKJQBBBB-JTQLQIEISA-N 0 1 309.435 1.351 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)N(CC)C[C@H](C)CC ZINC000093265978 193222694 /nfs/dbraw/zinc/22/26/94/193222694.db2.gz VCSSIUBOOXLHGL-LLVKDONJSA-N 0 1 316.471 1.884 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H]1CCSc1nnc(C)s1 ZINC000093629691 193276297 /nfs/dbraw/zinc/27/62/97/193276297.db2.gz ITGCVEHQHDOGIC-SKDRFNHKSA-N 0 1 301.437 1.999 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000093648738 193285121 /nfs/dbraw/zinc/28/51/21/193285121.db2.gz NOCYWLMLRLLXIY-CQSZACIVSA-N 0 1 311.451 1.600 10 0 DDAEMN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCS(=O)(=O)CC1 ZINC000093684617 193288355 /nfs/dbraw/zinc/28/83/55/193288355.db2.gz QSVKFKXAQROBJZ-VGPLMAKISA-N 0 1 301.408 1.281 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093833795 193314785 /nfs/dbraw/zinc/31/47/85/193314785.db2.gz KFDVSLUZFDUSQK-BXKDBHETSA-N 0 1 316.199 1.858 10 0 DDAEMN CC(C)NCc1nc(N(C)CCS(C)(=O)=O)ccc1Cl ZINC000094300756 193358661 /nfs/dbraw/zinc/35/86/61/193358661.db2.gz GQWRSKOLQVZPEJ-UHFFFAOYSA-N 0 1 319.858 1.714 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@H](N(CCO)Cc2ccccc2)C1 ZINC000094643696 193389576 /nfs/dbraw/zinc/38/95/76/193389576.db2.gz FQRKTIHUAWXWTE-HOTGVXAUSA-N 0 1 311.447 1.837 10 0 DDAEMN CC(=O)NCCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000041309014 183185126 /nfs/dbraw/zinc/18/51/26/183185126.db2.gz RBJMJCFNZPOSER-CQSZACIVSA-N 0 1 311.813 1.585 10 0 DDAEMN C[C@H](NCc1ccc(Br)cc1)C(=O)NC(N)=O ZINC000042240111 183245897 /nfs/dbraw/zinc/24/58/97/183245897.db2.gz RIXSPYANXVEOSO-ZETCQYMHSA-N 0 1 300.156 1.122 10 0 DDAEMN Cc1[nH]ncc1CNc1ccc(S(=O)(=O)N(C)C)cc1N ZINC000042358791 183258316 /nfs/dbraw/zinc/25/83/16/183258316.db2.gz ZTDKCQQIPCOSKB-UHFFFAOYSA-N 0 1 309.395 1.163 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)N1CCCN(c2cccnn2)CC1 ZINC000105799153 194131582 /nfs/dbraw/zinc/13/15/82/194131582.db2.gz JCPNJAJCFZGCNH-CYBMUJFWSA-N 0 1 305.426 1.292 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2cc(F)ccc2F)C[C@@H]1C ZINC000105833827 194143490 /nfs/dbraw/zinc/14/34/90/194143490.db2.gz MJEBBAWUAWRSLX-LRDDRELGSA-N 0 1 314.376 1.651 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000105883925 194157805 /nfs/dbraw/zinc/15/78/05/194157805.db2.gz IUVYMRPRSLHFJK-GJZGRUSLSA-N 0 1 307.442 1.541 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CCCOC(C)C)CC1 ZINC000105916643 194168576 /nfs/dbraw/zinc/16/85/76/194168576.db2.gz ZDODQMXLTIJLMF-UHFFFAOYSA-N 0 1 308.470 1.970 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000109465571 194265960 /nfs/dbraw/zinc/26/59/60/194265960.db2.gz YUWJULJJYFDQRN-UHFFFAOYSA-N 0 1 309.410 1.648 10 0 DDAEMN Cc1cc(=O)n2nc(C[N@H+](CC(=O)[O-])CC(C)C)sc2n1 ZINC000062743389 184251754 /nfs/dbraw/zinc/25/17/54/184251754.db2.gz XFRPMYXDSSLRJC-UHFFFAOYSA-N 0 1 310.379 1.002 10 0 DDAEMN COc1ccc(OC)c(CN(C)c2ccncc2C(N)=O)c1 ZINC000302240549 532956079 /nfs/dbraw/zinc/95/60/79/532956079.db2.gz XKLBWRCHGYMKLF-UHFFFAOYSA-N 0 1 301.346 1.834 10 0 DDAEMN CCn1cc(CN2CCCN(Cc3cn(C)nc3C)CC2)cn1 ZINC000121609299 195316239 /nfs/dbraw/zinc/31/62/39/195316239.db2.gz NDASMPRSXDSJSA-UHFFFAOYSA-N 0 1 316.453 1.653 10 0 DDAEMN CCCCN(C)S(=O)(=O)N1CCC(c2ccn[nH]2)CC1 ZINC000122468013 195455818 /nfs/dbraw/zinc/45/58/18/195455818.db2.gz HMXMOKTUFVKFFQ-UHFFFAOYSA-N 0 1 300.428 1.566 10 0 DDAEMN CCn1c(=O)[nH]nc1S(=O)(=O)Cc1cc(C)sc1C ZINC000170926292 407559073 /nfs/dbraw/zinc/55/90/73/407559073.db2.gz BNEUQFJRVQKJDZ-UHFFFAOYSA-N 0 1 301.393 1.656 10 0 DDAEMN Cc1cccnc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000071339683 406838554 /nfs/dbraw/zinc/83/85/54/406838554.db2.gz YCTWGOHBYKFFFB-GFCCVEGCSA-N 0 1 305.403 1.888 10 0 DDAEMN CN1CCN(c2cccc(I)n2)CC1 ZINC000013759258 406867905 /nfs/dbraw/zinc/86/79/05/406867905.db2.gz BMIQQALNTAJMLB-UHFFFAOYSA-N 0 1 303.147 1.438 10 0 DDAEMN Cc1cccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1Cl ZINC000180262209 306694530 /nfs/dbraw/zinc/69/45/30/306694530.db2.gz NCBXECAUNJYKIB-LLVKDONJSA-N 0 1 302.827 1.973 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2c(Cl)nc3ccccn32)CC1 ZINC000123483705 407330032 /nfs/dbraw/zinc/33/00/32/407330032.db2.gz NNDHRDWRLVBELR-CYBMUJFWSA-N 0 1 322.840 1.876 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)NC1CC1 ZINC000106907694 407366599 /nfs/dbraw/zinc/36/65/99/407366599.db2.gz YKENHZQNSKIRTI-INIZCTEOSA-N 0 1 317.433 1.334 10 0 DDAEMN CNC(=O)c1ccc(C[N@H+]2CCN(CCOC)[C@H](C)C2)cc1 ZINC000109005443 407393573 /nfs/dbraw/zinc/39/35/73/407393573.db2.gz KFCWUXAVENXFNI-CQSZACIVSA-N 0 1 305.422 1.199 10 0 DDAEMN CNC(=O)c1ccc(CN2CCN(CCOC)[C@H](C)C2)cc1 ZINC000109005443 407393574 /nfs/dbraw/zinc/39/35/74/407393574.db2.gz KFCWUXAVENXFNI-CQSZACIVSA-N 0 1 305.422 1.199 10 0 DDAEMN CCc1cc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)n[nH]1 ZINC000112060899 407420812 /nfs/dbraw/zinc/42/08/12/407420812.db2.gz IGQQGDFDQLSQGI-ZDUSSCGKSA-N 0 1 303.366 1.018 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000113305525 407494793 /nfs/dbraw/zinc/49/47/93/407494793.db2.gz LDTLQHISELIZMZ-WDEREUQCSA-N 0 1 316.373 1.822 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc3c1CCCC3)CC2 ZINC000114865743 407629436 /nfs/dbraw/zinc/62/94/36/407629436.db2.gz KCWAGTNMYKAOQI-JTQLQIEISA-N 0 1 314.393 1.187 10 0 DDAEMN Cc1nc([C@H]2CN(CCNC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000130632682 407702858 /nfs/dbraw/zinc/70/28/58/407702858.db2.gz NIURSAWJWKOEFY-LLVKDONJSA-N 0 1 311.386 1.011 10 0 DDAEMN COC[C@H](N)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000262023288 407714411 /nfs/dbraw/zinc/71/44/11/407714411.db2.gz DEBUDSRLXBQTNB-NSHDSACASA-N 0 1 313.195 1.528 10 0 DDAEMN C[C@@H](CN1CCCC1=O)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000171611821 407719030 /nfs/dbraw/zinc/71/90/30/407719030.db2.gz GZLKEZNQDSTZOQ-HOCLYGCPSA-N 0 1 317.433 1.286 10 0 DDAEMN C[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc2ccccc2c1 ZINC000152957079 407721649 /nfs/dbraw/zinc/72/16/49/407721649.db2.gz UPXKFUWBGXEBSW-ZDUSSCGKSA-N 0 1 311.385 1.449 10 0 DDAEMN Cc1cccc(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000186657109 407732064 /nfs/dbraw/zinc/73/20/64/407732064.db2.gz IKJUYQHGKYUOGZ-MRXNPFEDSA-N 0 1 318.417 1.935 10 0 DDAEMN CC(C)Oc1cc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000179131137 407732645 /nfs/dbraw/zinc/73/26/45/407732645.db2.gz JVASECMZJKRDJO-OAHLLOKOSA-N 0 1 318.421 1.858 10 0 DDAEMN CCC[C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N(C)C ZINC000179145940 407737565 /nfs/dbraw/zinc/73/75/65/407737565.db2.gz SQHRIZIZABWYGH-OAHLLOKOSA-N 0 1 301.394 1.995 10 0 DDAEMN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc2O1 ZINC000171770651 407763275 /nfs/dbraw/zinc/76/32/75/407763275.db2.gz RFYMAXAYESFMKU-TZMCWYRMSA-N 0 1 322.430 1.479 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000262196019 407763560 /nfs/dbraw/zinc/76/35/60/407763560.db2.gz CSHVEJKJNBPYBI-LLVKDONJSA-N 0 1 306.391 1.734 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000262279544 407782017 /nfs/dbraw/zinc/78/20/17/407782017.db2.gz LOYWYHZZFPJCSB-XEZPLFJOSA-N 0 1 321.421 1.208 10 0 DDAEMN COCCN1CCN(c2cncc(OCC(C)C)n2)C[C@H]1C ZINC000153286007 407792064 /nfs/dbraw/zinc/79/20/64/407792064.db2.gz MUKOEHFKSIFKGT-CQSZACIVSA-N 0 1 308.426 1.668 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000262382999 407820423 /nfs/dbraw/zinc/82/04/23/407820423.db2.gz YBJXWCQRIINWAI-CABCVRRESA-N 0 1 322.405 1.143 10 0 DDAEMN COC[C@@H](N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C1CC1 ZINC000179814375 407835203 /nfs/dbraw/zinc/83/52/03/407835203.db2.gz HJHAJVBLINIILR-NWDGAFQWSA-N 0 1 320.397 1.957 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCn2ccnc2)CCN1CCOC ZINC000117467753 407839027 /nfs/dbraw/zinc/83/90/27/407839027.db2.gz MYICRIAZNAQDOO-HNNXBMFYSA-N 0 1 323.441 1.025 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C(C)=O)s2)C1 ZINC000262714065 407907249 /nfs/dbraw/zinc/90/72/49/407907249.db2.gz MUTKTEOYCHVVTF-UHFFFAOYSA-N 0 1 324.402 1.618 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc3ccccn3c2)CCN1C[C@H](C)O ZINC000245416239 407971288 /nfs/dbraw/zinc/97/12/88/407971288.db2.gz DYTBIZRJULEWLY-GOEBONIOSA-N 0 1 315.417 1.857 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC000262757179 407916167 /nfs/dbraw/zinc/91/61/67/407916167.db2.gz ZFVHNQGBZWTRIG-UHFFFAOYSA-N 0 1 307.350 1.219 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2noc3c2CCCC3)C1 ZINC000262760519 407919937 /nfs/dbraw/zinc/91/99/37/407919937.db2.gz ZRPHMXUKRYIWIE-UHFFFAOYSA-N 0 1 321.377 1.221 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cnn[nH]1 ZINC000174215866 407920945 /nfs/dbraw/zinc/92/09/45/407920945.db2.gz GVJVFMIRKZPBFS-NXEZZACHSA-N 0 1 309.370 1.228 10 0 DDAEMN CNC(=O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000153896226 407927350 /nfs/dbraw/zinc/92/73/50/407927350.db2.gz JQFZQEKUAIZZBE-AWEZNQCLSA-N 0 1 305.422 1.048 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000245697377 408047115 /nfs/dbraw/zinc/04/71/15/408047115.db2.gz CLXXUDCSACUCMJ-QWHCGFSZSA-N 0 1 310.394 1.343 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCC(C)(C)C)CCO1 ZINC000263011510 408000303 /nfs/dbraw/zinc/00/03/03/408000303.db2.gz YQOZGNYTSLVROZ-GFCCVEGCSA-N 0 1 300.399 1.057 10 0 DDAEMN CCC1(CC)CN(CN2CCN(CCOC)[C@@H](C)C2)C(=O)O1 ZINC000245514934 408005479 /nfs/dbraw/zinc/00/54/79/408005479.db2.gz CRIQBAIBCICGLL-AWEZNQCLSA-N 0 1 313.442 1.607 10 0 DDAEMN CC(C)n1cnc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000245544666 408011199 /nfs/dbraw/zinc/01/11/99/408011199.db2.gz MKWBZDDWMUPUDC-QWHCGFSZSA-N 0 1 314.455 1.471 10 0 DDAEMN CN(C)[C@H](CNC(=O)[C@@H]1CC(F)(F)CN1)c1ccsc1 ZINC000263052683 408012128 /nfs/dbraw/zinc/01/21/28/408012128.db2.gz USGZGZDSMIMJDN-WDEREUQCSA-N 0 1 303.378 1.464 10 0 DDAEMN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000181635708 408021535 /nfs/dbraw/zinc/02/15/35/408021535.db2.gz WAIYCQSYQJGBBM-JTQLQIEISA-N 0 1 314.332 1.637 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCCCOCC3CC3)CCO2)n[nH]1 ZINC000175328920 408105944 /nfs/dbraw/zinc/10/59/44/408105944.db2.gz RHSNGMSVLHRCHT-CYBMUJFWSA-N 0 1 323.397 1.013 10 0 DDAEMN COc1cc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)ccc1C ZINC000263463884 408145705 /nfs/dbraw/zinc/14/57/05/408145705.db2.gz CIRLWCOKBSAUOH-OAHLLOKOSA-N 0 1 322.405 1.221 10 0 DDAEMN C[C@]1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CCCOC1 ZINC000263469846 408149558 /nfs/dbraw/zinc/14/95/58/408149558.db2.gz XNAIEUPJLDJQIG-KVULBXGLSA-N 0 1 324.421 1.247 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000246264712 408197340 /nfs/dbraw/zinc/19/73/40/408197340.db2.gz YXOUMKJGCPLNIG-HNNXBMFYSA-N 0 1 316.405 1.505 10 0 DDAEMN O[C@@H](COCc1ccccc1)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000175786684 408203963 /nfs/dbraw/zinc/20/39/63/408203963.db2.gz CRENCMFDPSYBNX-ZIAGYGMSSA-N 0 1 319.323 1.563 10 0 DDAEMN Cc1nc([C@H]2CN(c3ncnc4cccc(C)c43)CCO2)n[nH]1 ZINC000175777200 408204411 /nfs/dbraw/zinc/20/44/11/408204411.db2.gz JKYRPPWYGLFCCP-CYBMUJFWSA-N 0 1 310.361 1.943 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)CCCc2cccs2)C[C@@H]1C ZINC000246685354 408317021 /nfs/dbraw/zinc/31/70/21/408317021.db2.gz JBEQHZJBBOQYPC-KBPBESRZSA-N 0 1 310.463 1.984 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCc2cccs2)C[C@@H]1C ZINC000246685354 408317025 /nfs/dbraw/zinc/31/70/25/408317025.db2.gz JBEQHZJBBOQYPC-KBPBESRZSA-N 0 1 310.463 1.984 10 0 DDAEMN CS(=O)(=O)c1cccc(NC(=O)c2ccnc(CN)c2)c1 ZINC000130069745 161984057 /nfs/dbraw/zinc/98/40/57/161984057.db2.gz NJWIIZMSBRNPFA-UHFFFAOYSA-N 0 1 305.359 1.196 10 0 DDAEMN CCn1cnnc1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000136859748 162123468 /nfs/dbraw/zinc/12/34/68/162123468.db2.gz OPUUBYYCXUWUBJ-HNNXBMFYSA-N 0 1 319.453 1.736 10 0 DDAEMN COc1ccc(OC)c(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173662430 162354734 /nfs/dbraw/zinc/35/47/34/162354734.db2.gz WKIOFIAUKBMATC-HNNXBMFYSA-N 0 1 318.377 1.704 10 0 DDAEMN COC(=O)c1coc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173667500 162355650 /nfs/dbraw/zinc/35/56/50/162355650.db2.gz JRLIJGCJLUUWKJ-LBPRGKRZSA-N 0 1 306.322 1.066 10 0 DDAEMN COc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1F ZINC000173669360 162355675 /nfs/dbraw/zinc/35/56/75/162355675.db2.gz CLOPNTZZVRFFEI-AWEZNQCLSA-N 0 1 306.341 1.834 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)n[nH]1 ZINC000173667566 162356070 /nfs/dbraw/zinc/35/60/70/162356070.db2.gz MWRHOXHBSXHHSO-HNNXBMFYSA-N 0 1 300.362 1.622 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000247109283 408408832 /nfs/dbraw/zinc/40/88/32/408408832.db2.gz IXRBOKIMELEUCI-CABCVRRESA-N 0 1 308.426 1.370 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccccc1Br ZINC000159712937 408426747 /nfs/dbraw/zinc/42/67/47/408426747.db2.gz WTXNEXUKAURADW-LLVKDONJSA-N 0 1 301.184 1.381 10 0 DDAEMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000247541157 408489132 /nfs/dbraw/zinc/48/91/32/408489132.db2.gz QWQCNBXHJQLIPL-QLFBSQMISA-N 0 1 304.438 1.714 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)cn1 ZINC000191785302 408491274 /nfs/dbraw/zinc/49/12/74/408491274.db2.gz XWUVQGHTDVRVBU-OAHLLOKOSA-N 0 1 315.377 1.717 10 0 DDAEMN CN(C)C(=O)Sc1cccc(CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184005814 408527637 /nfs/dbraw/zinc/52/76/37/408527637.db2.gz LKQSJHVZTJBVKQ-OLZOCXBDSA-N 0 1 310.419 1.388 10 0 DDAEMN Cn1ccc(N2CCC[C@H](N3CCN4CCCC[C@H]4C3)C2=O)n1 ZINC000248330957 408548552 /nfs/dbraw/zinc/54/85/52/408548552.db2.gz DTSRCZVPNRTFKK-GJZGRUSLSA-N 0 1 317.437 1.086 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@@H]1C ZINC000248595607 408594632 /nfs/dbraw/zinc/59/46/32/408594632.db2.gz IBHNERAWYAGQGF-IHRRRGAJSA-N 0 1 321.421 1.550 10 0 DDAEMN CCCC[C@H](COC)NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248697712 408619240 /nfs/dbraw/zinc/61/92/40/408619240.db2.gz ZAZMIWYDAZFGNC-SOUVJXGZSA-N 0 1 315.458 1.288 10 0 DDAEMN C[C@H](C(=O)NCCc1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000177763156 408705312 /nfs/dbraw/zinc/70/53/12/408705312.db2.gz VEMPWWGTMJCYCK-HUUCEWRRSA-N 0 1 321.490 1.965 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000252321796 408794279 /nfs/dbraw/zinc/79/42/79/408794279.db2.gz ZASMSWAVXAFDQL-CZUORRHYSA-N 0 1 321.469 1.912 10 0 DDAEMN Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301623 408801850 /nfs/dbraw/zinc/80/18/50/408801850.db2.gz DFMYEDSCDMXAGX-HOCLYGCPSA-N 0 1 304.438 1.914 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC)C1 ZINC000194150373 408767997 /nfs/dbraw/zinc/76/79/97/408767997.db2.gz WKWKVDLLBXBAMP-GFCCVEGCSA-N 0 1 321.446 1.948 10 0 DDAEMN CCc1n[nH]c(C2CCN(Cc3nnc(C4CC4)n3C)CC2)n1 ZINC000190647312 163151182 /nfs/dbraw/zinc/15/11/82/163151182.db2.gz YCPSOQMIFMLUTI-UHFFFAOYSA-N 0 1 315.425 1.753 10 0 DDAEMN CCc1nnc(C2CCN(Cc3nnc(C4CC4)n3C)CC2)[nH]1 ZINC000190647312 163151186 /nfs/dbraw/zinc/15/11/86/163151186.db2.gz YCPSOQMIFMLUTI-UHFFFAOYSA-N 0 1 315.425 1.753 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC000194153544 163276258 /nfs/dbraw/zinc/27/62/58/163276258.db2.gz JRLMAZPNLNMTGC-CYBMUJFWSA-N 0 1 305.378 1.234 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC000194153531 163276945 /nfs/dbraw/zinc/27/69/45/163276945.db2.gz JRLMAZPNLNMTGC-ZDUSSCGKSA-N 0 1 305.378 1.234 10 0 DDAEMN CC(C)Cc1noc(CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)n1 ZINC000262478445 163835300 /nfs/dbraw/zinc/83/53/00/163835300.db2.gz KGGZTVWMCVZUSV-ZDUSSCGKSA-N 0 1 324.425 1.639 10 0 DDAEMN O[C@@H](CNc1ccnc2cc(F)ccc21)CN1CCOCC1 ZINC000301723590 410779850 /nfs/dbraw/zinc/77/98/50/410779850.db2.gz LAICBHSFUQHZDF-ZDUSSCGKSA-N 0 1 305.353 1.479 10 0 DDAEMN O=C([C@H]1CCCc2[nH]ncc21)N1CCC(Cn2cccn2)CC1 ZINC000134384573 196384379 /nfs/dbraw/zinc/38/43/79/196384379.db2.gz RTYTVHRSUSWBFS-AWEZNQCLSA-N 0 1 313.405 1.965 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)cc2)CCN1C[C@H](C)O ZINC000492611755 420606573 /nfs/dbraw/zinc/60/65/73/420606573.db2.gz JTONIWHASQURCM-ZJIBPLLGSA-N 0 1 318.417 1.709 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(c2ncc(Cl)cc2Cl)C1 ZINC000583616729 422203230 /nfs/dbraw/zinc/20/32/30/422203230.db2.gz JMYUSCFBJOVKIR-LBPRGKRZSA-N 0 1 314.176 1.995 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653694 422244113 /nfs/dbraw/zinc/24/41/13/422244113.db2.gz UUABSQJTIWSKKM-NWANDNLSSA-N 0 1 322.380 1.969 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653694 422244117 /nfs/dbraw/zinc/24/41/17/422244117.db2.gz UUABSQJTIWSKKM-NWANDNLSSA-N 0 1 322.380 1.969 10 0 DDAEMN O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@@H](n2ccnn2)C1 ZINC000585321331 422312698 /nfs/dbraw/zinc/31/26/98/422312698.db2.gz OWAAOYRIQMFTSR-SNVBAGLBSA-N 0 1 314.374 1.817 10 0 DDAEMN C[C@@H](NC(=O)[C@H](N)[C@H](C)OCc1ccccc1)[C@@H]1CCCO1 ZINC000637930334 422486716 /nfs/dbraw/zinc/48/67/16/422486716.db2.gz VUOHRJDAXCSVAR-BFJAYTPKSA-N 0 1 306.406 1.603 10 0 DDAEMN CC[N@@H+](Cc1ccccc1)[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643871656 423388302 /nfs/dbraw/zinc/38/83/02/423388302.db2.gz DDIVWCGXZHBPBZ-HNNXBMFYSA-N 0 1 304.390 1.974 10 0 DDAEMN CC(=O)N[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000106908228 275788158 /nfs/dbraw/zinc/78/81/58/275788158.db2.gz VOHWSOFLDCNPGQ-IRXDYDNUSA-N 0 1 317.433 1.286 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246391682 276283730 /nfs/dbraw/zinc/28/37/30/276283730.db2.gz IXWAXOCJAJSTKG-FXUDXRNXSA-N 0 1 311.470 1.332 10 0 DDAEMN CN[C@@H](C(=O)N1CCN(C)c2ccccc2C1)c1cnn(C)c1 ZINC000262366677 277291721 /nfs/dbraw/zinc/29/17/21/277291721.db2.gz LDQDVFQSKSFAPX-MRXNPFEDSA-N 0 1 313.405 1.159 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCC(=O)[O-])n1 ZINC000263498406 277842849 /nfs/dbraw/zinc/84/28/49/277842849.db2.gz KGMLRKLHBNRQQJ-RISCZKNCSA-N 0 1 308.382 1.979 10 0 DDAEMN Cc1ccc(C)c(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000105933200 281051607 /nfs/dbraw/zinc/05/16/07/281051607.db2.gz KBQIRUZPJWBKDG-CABCVRRESA-N 0 1 305.422 1.551 10 0 DDAEMN CCOCCN1CCN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1CC ZINC000130440286 281381539 /nfs/dbraw/zinc/38/15/39/281381539.db2.gz QWORXDCYJDXSGE-AWEZNQCLSA-N 0 1 321.421 1.256 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCOCc2ccccc2)C[C@@H]1C ZINC000246840641 282017838 /nfs/dbraw/zinc/01/78/38/282017838.db2.gz UIGUHRWZNMUWKP-HOTGVXAUSA-N 0 1 320.433 1.507 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1C1CC1 ZINC000663228930 484754354 /nfs/dbraw/zinc/75/43/54/484754354.db2.gz HYFAYMYNSUXYFR-HUUCEWRRSA-N 0 1 317.389 1.129 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1C1CC1 ZINC000663228930 484754359 /nfs/dbraw/zinc/75/43/59/484754359.db2.gz HYFAYMYNSUXYFR-HUUCEWRRSA-N 0 1 317.389 1.129 10 0 DDAEMN COC1(CNC(=O)N2CCN3CCCC[C@@H]3C2)CCOCC1 ZINC000126593934 490659126 /nfs/dbraw/zinc/65/91/26/490659126.db2.gz FKYXQGWRCOEJSD-CQSZACIVSA-N 0 1 311.426 1.062 10 0 DDAEMN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCNCC1)C(C)C ZINC000020184066 696070173 /nfs/dbraw/zinc/07/01/73/696070173.db2.gz KQIXYXRBDNXLGJ-OAHLLOKOSA-N 0 1 303.406 1.181 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)c3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000173658202 697380419 /nfs/dbraw/zinc/38/04/19/697380419.db2.gz GHFYFLTYURUTER-CVEARBPZSA-N 0 1 316.405 1.837 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000174075408 697383642 /nfs/dbraw/zinc/38/36/42/697383642.db2.gz MDCHNOIRCQGDDS-MSOLQXFVSA-N 0 1 306.450 1.725 10 0 DDAEMN C=Cn1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000194315343 697704831 /nfs/dbraw/zinc/70/48/31/697704831.db2.gz WRGAXQIAQGVODO-HUUCEWRRSA-N 0 1 318.333 1.076 10 0 DDAEMN Cc1cc(C(=O)N[C@@H]2CN3CCC2CC3)nc(N2CCCC2)n1 ZINC000222566501 697758075 /nfs/dbraw/zinc/75/80/75/697758075.db2.gz WZHTWKMPZULPMX-OAHLLOKOSA-N 0 1 315.421 1.209 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248877544 698382763 /nfs/dbraw/zinc/38/27/63/698382763.db2.gz OHRUAPFIYWJZBL-ZIAGYGMSSA-N 0 1 308.422 1.853 10 0 DDAEMN C[C@@H](NC(=O)c1ccnc(CN)c1)c1ccc2c(c1)OCCO2 ZINC000261774409 698437107 /nfs/dbraw/zinc/43/71/07/698437107.db2.gz REYBQSVOFXOPJL-LLVKDONJSA-N 0 1 313.357 1.803 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000262535854 698473602 /nfs/dbraw/zinc/47/36/02/698473602.db2.gz QFSUHALZICXQEX-CYBMUJFWSA-N 0 1 313.442 1.018 10 0 DDAEMN O=C([O-])[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COCc1ccccc1)C2 ZINC000701469937 699226889 /nfs/dbraw/zinc/22/68/89/699226889.db2.gz VTMGVWWDHSKBCZ-BQFCYCMXSA-N 0 1 319.401 1.751 10 0 DDAEMN COCc1nc(CN[C@@H]2CCCN3CCSC[C@H]23)cs1 ZINC000720458965 699306074 /nfs/dbraw/zinc/30/60/74/699306074.db2.gz MUUDBGPLKQOUKA-CHWSQXEVSA-N 0 1 313.492 1.959 10 0 DDAEMN O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720638602 699306950 /nfs/dbraw/zinc/30/69/50/699306950.db2.gz WQOQTZRTZMPZBQ-SNVBAGLBSA-N 0 1 322.166 1.940 10 0 DDAEMN O=C(c1ccc(Br)o1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720638340 699307084 /nfs/dbraw/zinc/30/70/84/699307084.db2.gz VKPKLHZKGGTFLX-LURJTMIESA-N 0 1 312.127 1.533 10 0 DDAEMN O=C(c1occc1Br)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720647991 699307246 /nfs/dbraw/zinc/30/72/46/699307246.db2.gz GFKFBVJMOIMVOX-SSDOTTSWSA-N 0 1 312.127 1.533 10 0 DDAEMN O=C(C1CN([C@H]2CCOC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000896849098 708163661 /nfs/dbraw/zinc/16/36/61/708163661.db2.gz AGGINRSCHJGTES-LSDHHAIUSA-N 0 1 304.394 1.184 10 0 DDAEMN CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccco3)C2)ccn1 ZINC000886044970 708688153 /nfs/dbraw/zinc/68/81/53/708688153.db2.gz SXWFYJVQELSDDT-KRWDZBQOSA-N 0 1 315.373 1.964 10 0 DDAEMN CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000900082555 709283307 /nfs/dbraw/zinc/28/33/07/709283307.db2.gz AWYZTXAHBHEGQU-MEWQQHAOSA-N 0 1 308.344 1.679 10 0 DDAEMN O=C(CCC[C@@H](O)c1ccccc1)N1CCC[C@H]1c1nn[nH]n1 ZINC000900392451 709572119 /nfs/dbraw/zinc/57/21/19/709572119.db2.gz ZBLGKOLXBQEAND-UONOGXRCSA-N 0 1 315.377 1.767 10 0 DDAEMN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000074630544 185004349 /nfs/dbraw/zinc/00/43/49/185004349.db2.gz IZGZTDLKRURURK-UHFFFAOYSA-N 0 1 307.313 1.823 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ccc(F)nc2)CCN1C[C@@H](C)O ZINC000181242567 199270070 /nfs/dbraw/zinc/27/00/70/199270070.db2.gz AHOSJXUNJAKTMI-DGCLKSJQSA-N 0 1 310.373 1.530 10 0 DDAEMN C[C@H](C(=O)c1ccc(F)cc1)[S@@](=O)CCS(C)(=O)=O ZINC000081910271 192338387 /nfs/dbraw/zinc/33/83/87/192338387.db2.gz KBQYLQRKIPVMSV-DYBLOJMWSA-N 0 1 306.380 1.190 10 0 DDAEMN CC[C@H](C)S(=O)(=O)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000081938585 192342495 /nfs/dbraw/zinc/34/24/95/192342495.db2.gz JJUGZVRIXSXRPV-AAEUAGOBSA-N 0 1 313.419 1.932 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NCCCC1CCCCC1)C(C)C ZINC000183665505 539243063 /nfs/dbraw/zinc/24/30/63/539243063.db2.gz PQHJNZTUTYUXCN-MRXNPFEDSA-N 0 1 311.470 1.823 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cscn2)CCN1C[C@@H](C)O ZINC000184990254 539245453 /nfs/dbraw/zinc/24/54/53/539245453.db2.gz RHEHKQNGMCSCCZ-YPMHNXCESA-N 0 1 312.439 1.130 10 0 DDAEMN C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000071140102 282200036 /nfs/dbraw/zinc/20/00/36/282200036.db2.gz BHTMMORGOYLJST-SNVBAGLBSA-N 0 1 313.195 1.931 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(c1ccccc1)C(C)C)C(C)C ZINC000183639232 539242555 /nfs/dbraw/zinc/24/25/55/539242555.db2.gz LBLZBUAVSNFCAU-MRXNPFEDSA-N 0 1 305.422 1.788 10 0 DDAEMN Cc1c(Br)cccc1C(=O)N[C@H](C)c1nn[nH]n1 ZINC000088441877 185250727 /nfs/dbraw/zinc/25/07/27/185250727.db2.gz XFAOXNCGQZTEOG-SSDOTTSWSA-N 0 1 310.155 1.762 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccncc2C)CCN1C[C@H](C)O ZINC000251710820 282203815 /nfs/dbraw/zinc/20/38/15/282203815.db2.gz KKTQCVAOIXNGJX-GOEBONIOSA-N 0 1 320.437 1.377 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)o1 ZINC000088544061 185256743 /nfs/dbraw/zinc/25/67/43/185256743.db2.gz ZIWUSWMOTWLLHV-UHFFFAOYSA-N 0 1 312.313 1.714 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081986479 192349054 /nfs/dbraw/zinc/34/90/54/192349054.db2.gz JLPAMPRVSBRWRJ-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2ccccc2CO)CC1 ZINC000088891819 185269658 /nfs/dbraw/zinc/26/96/58/185269658.db2.gz BRWDPEAUXSZHQZ-UHFFFAOYSA-N 0 1 312.435 1.284 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccsc1CO ZINC000088892473 185269918 /nfs/dbraw/zinc/26/99/18/185269918.db2.gz JXHWULBKARHMJC-UHFFFAOYSA-N 0 1 320.480 1.449 10 0 DDAEMN CCn1nc(C)c(Br)c1Cn1cc(CNC)nn1 ZINC000090295382 185289791 /nfs/dbraw/zinc/28/97/91/185289791.db2.gz PCBJEGPYKJLIBR-UHFFFAOYSA-N 0 1 313.203 1.333 10 0 DDAEMN C[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389392 185293934 /nfs/dbraw/zinc/29/39/34/185293934.db2.gz JTEUKDSJQUMJTF-NWDGAFQWSA-N 0 1 309.753 1.519 10 0 DDAEMN C[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389392 185293935 /nfs/dbraw/zinc/29/39/35/185293935.db2.gz JTEUKDSJQUMJTF-NWDGAFQWSA-N 0 1 309.753 1.519 10 0 DDAEMN C[N@H+]1CCCC[C@@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092445792 185319022 /nfs/dbraw/zinc/31/90/22/185319022.db2.gz BATMUNXBNQFWFG-SECBINFHSA-N 0 1 311.304 1.129 10 0 DDAEMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000092924528 185349697 /nfs/dbraw/zinc/34/96/97/185349697.db2.gz VOGAGOITSRHQEK-JQWIXIFHSA-N 0 1 308.403 1.428 10 0 DDAEMN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@H]1NC(=O)C1(C)CC1 ZINC000725273100 539570867 /nfs/dbraw/zinc/57/08/67/539570867.db2.gz ZACPSSVIUYXGMR-ZYHUDNBSSA-N 0 1 308.451 1.852 10 0 DDAEMN CC1CCC(CCNC(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000070548940 190905991 /nfs/dbraw/zinc/90/59/91/190905991.db2.gz PXVHTMLNSVUHEI-WXRRBKDZSA-N 0 1 304.456 1.081 10 0 DDAEMN CN(C)CCNS(=O)(=O)c1ccc(-c2ccccc2N)cc1 ZINC000071709494 191011678 /nfs/dbraw/zinc/01/16/78/191011678.db2.gz YMQVPZVBKBUZCX-UHFFFAOYSA-N 0 1 319.430 1.776 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)c3cccnc3N)cc2)CC1 ZINC000071700446 191009890 /nfs/dbraw/zinc/00/98/90/191009890.db2.gz ZHQPBFJOSBIZQN-UHFFFAOYSA-N 0 1 311.389 1.668 10 0 DDAEMN C[C@@H](C(=O)NCc1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000172801997 198151331 /nfs/dbraw/zinc/15/13/31/198151331.db2.gz QALLLYIDTFWSQW-UONOGXRCSA-N 0 1 307.463 1.923 10 0 DDAEMN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000173806626 198254514 /nfs/dbraw/zinc/25/45/14/198254514.db2.gz SDURQSVUARSCOW-KBPBESRZSA-N 0 1 317.433 1.771 10 0 DDAEMN C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1N1CCOCC1 ZINC000173850552 198260211 /nfs/dbraw/zinc/26/02/11/198260211.db2.gz ZEKISQBEWZSVOU-IAQYHMDHSA-N 0 1 304.394 1.080 10 0 DDAEMN Cc1ncc(CN[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000081293034 192246647 /nfs/dbraw/zinc/24/66/47/192246647.db2.gz BNVZNXGZTUMQOR-ZDUSSCGKSA-N 0 1 305.403 1.457 10 0 DDAEMN CCCNC(=O)[C@@H](C)n1c2c(nc1C(F)(F)F)CNCC2 ZINC000085574211 192517849 /nfs/dbraw/zinc/51/78/49/192517849.db2.gz VPNSIYSSWCBEJR-MRVPVSSYSA-N 0 1 304.316 1.635 10 0 DDAEMN CO[C@]1(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCOC1 ZINC000276636761 213016616 /nfs/dbraw/zinc/01/66/16/213016616.db2.gz VQHGBIAQNJHABM-FUHWJXTLSA-N 0 1 318.417 1.573 10 0 DDAEMN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H](N)c3ccccc3)C2)no1 ZINC000237772829 202350128 /nfs/dbraw/zinc/35/01/28/202350128.db2.gz MMWIGPMERFCHPS-XJKSGUPXSA-N 0 1 314.389 1.859 10 0 DDAEMN C[C@@H](CCO)SC[C@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000091267097 193028576 /nfs/dbraw/zinc/02/85/76/193028576.db2.gz PQSSDKUBKYAVIB-BLLLJJGKSA-N 0 1 308.447 1.623 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)NCC(C)C)CC1 ZINC000091487235 193062941 /nfs/dbraw/zinc/06/29/41/193062941.db2.gz XWDVFCWVCXRATL-UHFFFAOYSA-N 0 1 303.497 1.242 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000091989362 193138894 /nfs/dbraw/zinc/13/88/94/193138894.db2.gz FKXLIRRISPLHTC-ZDUSSCGKSA-N 0 1 312.483 1.521 10 0 DDAEMN Brc1cn2c(CNCc3cnc[nH]3)cnc2cn1 ZINC000092050328 193148570 /nfs/dbraw/zinc/14/85/70/193148570.db2.gz VCOHIXUDCVENCW-UHFFFAOYSA-N 0 1 307.155 1.505 10 0 DDAEMN O=C([O-])C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CSc2ccccc21 ZINC000092290087 193185171 /nfs/dbraw/zinc/18/51/71/193185171.db2.gz DSRGKCFASIUWLQ-PWSUYJOCSA-N 0 1 306.387 1.151 10 0 DDAEMN O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CSc2ccccc21 ZINC000092290087 193185173 /nfs/dbraw/zinc/18/51/73/193185173.db2.gz DSRGKCFASIUWLQ-PWSUYJOCSA-N 0 1 306.387 1.151 10 0 DDAEMN COc1ccc2c(c1)[C@H](NCC(C)(C)S(C)(=O)=O)CCO2 ZINC000093522745 193263136 /nfs/dbraw/zinc/26/31/36/193263136.db2.gz PNKLUXGPYSSIJK-CYBMUJFWSA-N 0 1 313.419 1.932 10 0 DDAEMN CN1CC[N@H+](C)C[C@H]1c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000093977850 193333946 /nfs/dbraw/zinc/33/39/46/193333946.db2.gz MKBDEOIQZLZHRT-LBPRGKRZSA-N 0 1 306.391 1.755 10 0 DDAEMN CN1CC[N@@H+](C)C[C@H]1c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000093977850 193333948 /nfs/dbraw/zinc/33/39/48/193333948.db2.gz MKBDEOIQZLZHRT-LBPRGKRZSA-N 0 1 306.391 1.755 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000094358679 193364277 /nfs/dbraw/zinc/36/42/77/193364277.db2.gz HDXQOCDIZFSZDO-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN CN(C)[C@@H](CNC(=O)[C@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236636 193353495 /nfs/dbraw/zinc/35/34/95/193353495.db2.gz GTLILSWSBMFNKG-KWQFWETISA-N 0 1 309.357 1.747 10 0 DDAEMN CC(C)(C)NCc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644067 193389736 /nfs/dbraw/zinc/38/97/36/193389736.db2.gz SHFCCXYRXKVXPL-VXGBXAGGSA-N 0 1 314.455 1.695 10 0 DDAEMN CCCOc1nc(Cl)nc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094442669 193370202 /nfs/dbraw/zinc/37/02/02/193370202.db2.gz KNBDZBXWBNQFEF-LLVKDONJSA-N 0 1 311.817 1.988 10 0 DDAEMN COc1cc(C)c(N)cc1S(=O)(=O)NCc1cn[nH]c1C ZINC000094512272 193376615 /nfs/dbraw/zinc/37/66/15/193376615.db2.gz QLLCKDFNHSNXPM-UHFFFAOYSA-N 0 1 310.379 1.096 10 0 DDAEMN COc1ccc(Cc2noc(-c3csc(CN)n3)n2)cn1 ZINC000094631265 193385305 /nfs/dbraw/zinc/38/53/05/193385305.db2.gz LKRNYFQVEPQYII-UHFFFAOYSA-N 0 1 303.347 1.646 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(CC(C)C)C1CCCC1 ZINC000094852468 193402413 /nfs/dbraw/zinc/40/24/13/193402413.db2.gz KZWNCGMIOGKEPR-UHFFFAOYSA-N 0 1 315.439 1.800 10 0 DDAEMN Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H]([NH+]2CCCC2)C1=O ZINC000019767009 182144412 /nfs/dbraw/zinc/14/44/12/182144412.db2.gz FJMDSFBDBPDVSJ-ZDUSSCGKSA-N 0 1 302.330 1.421 10 0 DDAEMN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN)c2C(N)=O)C1 ZINC000020335836 182209351 /nfs/dbraw/zinc/20/93/51/182209351.db2.gz TZLNHJWJESPFHL-QMMMGPOBSA-N 0 1 309.435 1.895 10 0 DDAEMN COc1cccc2cc([C@H](C)NCCNS(C)(=O)=O)oc21 ZINC000020555285 182231777 /nfs/dbraw/zinc/23/17/77/182231777.db2.gz JZBOJTYXDJMHCV-JTQLQIEISA-N 0 1 312.391 1.641 10 0 DDAEMN CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C(C)C)CC1 ZINC000333733777 249086680 /nfs/dbraw/zinc/08/66/80/249086680.db2.gz UMIOAUJVAHAVTA-UHFFFAOYSA-N 0 1 320.441 1.237 10 0 DDAEMN CCc1ccc(S(=O)(=O)N[C@@H]2CCCN(CC)C2)cc1N ZINC000040501923 183083853 /nfs/dbraw/zinc/08/38/53/183083853.db2.gz YLJPGJSYUJMFCC-CYBMUJFWSA-N 0 1 311.451 1.594 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cnccc2C)n[nH]1 ZINC000333710927 249078345 /nfs/dbraw/zinc/07/83/45/249078345.db2.gz PVMVMSWFPHMLQN-LBPRGKRZSA-N 0 1 321.406 1.732 10 0 DDAEMN CC(C)NS(=O)(=O)c1ccccc1N[C@H]1CCCN(C)C1 ZINC000040673422 183116527 /nfs/dbraw/zinc/11/65/27/183116527.db2.gz ICBXDUKFWUXBSQ-ZDUSSCGKSA-N 0 1 311.451 1.879 10 0 DDAEMN Cc1cccc(N)c1S(=O)(=O)NCCN1CCCCCC1 ZINC000040767343 183131333 /nfs/dbraw/zinc/13/13/33/183131333.db2.gz JKINWBNLCMRSIA-UHFFFAOYSA-N 0 1 311.451 1.732 10 0 DDAEMN O=C(Nc1cccc(Cl)c1-n1ccnc1)[C@@H]1CNCCO1 ZINC000043708395 183382968 /nfs/dbraw/zinc/38/29/68/183382968.db2.gz CBTCDOPTDLRMPP-LBPRGKRZSA-N 0 1 306.753 1.453 10 0 DDAEMN COC1(c2nc(Cc3ccccc3)no2)CCN(CCO)CC1 ZINC000284388190 218006487 /nfs/dbraw/zinc/00/64/87/218006487.db2.gz HMRBWFAAJJWOGX-UHFFFAOYSA-N 0 1 317.389 1.590 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(c2ncc(Cl)cc2Cl)C1 ZINC000284702686 218140676 /nfs/dbraw/zinc/14/06/76/218140676.db2.gz YTTIBZNIGRVFAQ-LLVKDONJSA-N 0 1 300.149 1.604 10 0 DDAEMN NC(=O)c1cccc(CNC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000105131376 194077389 /nfs/dbraw/zinc/07/73/89/194077389.db2.gz RIHNLIHBHDYUJM-HNNXBMFYSA-N 0 1 316.405 1.165 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000106430054 194212577 /nfs/dbraw/zinc/21/25/77/194212577.db2.gz LRZCXWDQBTXYEE-INIZCTEOSA-N 0 1 318.417 1.525 10 0 DDAEMN CCCN(CCO)[C@@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000048921677 183696586 /nfs/dbraw/zinc/69/65/86/183696586.db2.gz CXHFKSWCHNFOJP-NSHDSACASA-N 0 1 309.435 1.352 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000109460895 194265768 /nfs/dbraw/zinc/26/57/68/194265768.db2.gz FMUITJVCOZQJSC-ZDUSSCGKSA-N 0 1 309.410 1.648 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCN1C ZINC000110759237 194356601 /nfs/dbraw/zinc/35/66/01/194356601.db2.gz ALBLYHMHNAXFKH-SNVBAGLBSA-N 0 1 300.200 1.943 10 0 DDAEMN CC(C)(C)S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O ZINC000111073553 194389488 /nfs/dbraw/zinc/38/94/88/194389488.db2.gz FRATYAZVZJFDOG-UHFFFAOYSA-N 0 1 310.372 1.013 10 0 DDAEMN CC[N@H+](CC(=O)N1CCc2sccc2C1)C(C)(C)C(=O)[O-] ZINC000061176281 184164340 /nfs/dbraw/zinc/16/43/40/184164340.db2.gz LAELBUKLVVGWQQ-UHFFFAOYSA-N 0 1 310.419 1.818 10 0 DDAEMN CC[N@@H+](CC(=O)N1CCc2sccc2C1)C(C)(C)C(=O)[O-] ZINC000061176281 184164342 /nfs/dbraw/zinc/16/43/42/184164342.db2.gz LAELBUKLVVGWQQ-UHFFFAOYSA-N 0 1 310.419 1.818 10 0 DDAEMN CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)[C@H](C)CC(=O)[O-] ZINC000061182420 184165431 /nfs/dbraw/zinc/16/54/31/184165431.db2.gz UXNJAEHXYGNDIL-SECBINFHSA-N 0 1 309.391 1.750 10 0 DDAEMN CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@@H](C)C(=O)[O-] ZINC000061221347 184166108 /nfs/dbraw/zinc/16/61/08/184166108.db2.gz CJDZKPWVXYKYOT-SECBINFHSA-N 0 1 300.305 1.946 10 0 DDAEMN O=C(NCCc1csc2ncnn12)c1[nH]nc2c1CCCC2 ZINC000062445339 184236701 /nfs/dbraw/zinc/23/67/01/184236701.db2.gz AUEWFNBWEBZAMA-UHFFFAOYSA-N 0 1 316.390 1.365 10 0 DDAEMN CC(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(F)c(F)c1 ZINC000062743492 184251804 /nfs/dbraw/zinc/25/18/04/184251804.db2.gz RLLYMXWVCSUSGB-UHFFFAOYSA-N 0 1 300.305 1.946 10 0 DDAEMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(F)c(F)c1 ZINC000062743492 184251805 /nfs/dbraw/zinc/25/18/05/184251805.db2.gz RLLYMXWVCSUSGB-UHFFFAOYSA-N 0 1 300.305 1.946 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)Nc1sccc1C(=O)[O-] ZINC000062828937 184254917 /nfs/dbraw/zinc/25/49/17/184254917.db2.gz KFKQUSSHZKTTAY-UHFFFAOYSA-N 0 1 301.368 1.146 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000062937910 184261218 /nfs/dbraw/zinc/26/12/18/184261218.db2.gz QAYQMTKTQSGJEZ-CQSZACIVSA-N 0 1 311.407 1.967 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000062965334 184263233 /nfs/dbraw/zinc/26/32/33/184263233.db2.gz YQLGYNQEAHQAKK-SNVBAGLBSA-N 0 1 317.842 1.555 10 0 DDAEMN O=C([O-])c1ccc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062985397 184265059 /nfs/dbraw/zinc/26/50/59/184265059.db2.gz CEFANBLSLZNTSA-GFCCVEGCSA-N 0 1 310.781 1.949 10 0 DDAEMN Cc1ccsc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000120482445 195174603 /nfs/dbraw/zinc/17/46/03/195174603.db2.gz ILYLUHHLHUQRHV-UHFFFAOYSA-N 0 1 314.418 1.816 10 0 DDAEMN Cc1nnc(SCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000120577211 195194027 /nfs/dbraw/zinc/19/40/27/195194027.db2.gz YMYZVNMGHQCAOS-SMDDNHRTSA-N 0 1 310.423 1.359 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000120577211 195194029 /nfs/dbraw/zinc/19/40/29/195194029.db2.gz YMYZVNMGHQCAOS-SMDDNHRTSA-N 0 1 310.423 1.359 10 0 DDAEMN CC1(C)[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)[C@H]2CCO[C@@H]21 ZINC000120727007 195225628 /nfs/dbraw/zinc/22/56/28/195225628.db2.gz PAVSFMSFWSMRLV-TUVASFSCSA-N 0 1 307.438 1.680 10 0 DDAEMN COCCN1CCN(Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000120774589 195235140 /nfs/dbraw/zinc/23/51/40/195235140.db2.gz CCHMTRWKOSAIJP-AWEZNQCLSA-N 0 1 308.422 1.856 10 0 DDAEMN CN1[C@H](C(=O)NCC2CC2)C[C@H]2CN(c3ccccn3)C[C@H]21 ZINC000248029438 257110607 /nfs/dbraw/zinc/11/06/07/257110607.db2.gz KSHDZEKGCFBFBI-SOUVJXGZSA-N 0 1 300.406 1.117 10 0 DDAEMN CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccoc1)C2 ZINC000248066803 257110635 /nfs/dbraw/zinc/11/06/35/257110635.db2.gz ZXQUIAIHTGYCOA-NVXWUHKLSA-N 0 1 322.405 1.508 10 0 DDAEMN Cc1nccc([C@@H]2C[C@H]3CCN(C(=O)CN(C)C)C[C@@H]3O2)n1 ZINC000248047393 257110739 /nfs/dbraw/zinc/11/07/39/257110739.db2.gz WVDAMFGGTUCHDM-SNPRPXQTSA-N 0 1 304.394 1.025 10 0 DDAEMN COCCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1 ZINC000247838375 257115967 /nfs/dbraw/zinc/11/59/67/257115967.db2.gz JYTBIWHZNYSFHO-ILXRZTDVSA-N 0 1 308.378 1.022 10 0 DDAEMN O[C@H](COC1CCOCC1)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121024343 195281656 /nfs/dbraw/zinc/28/16/56/195281656.db2.gz FGEGWUSUYVZHJI-HOCLYGCPSA-N 0 1 309.410 1.493 10 0 DDAEMN C[NH+](C)CCCn1c(=O)c2ccc(C(=O)[O-])cc2[nH]c1=S ZINC000070460428 406818511 /nfs/dbraw/zinc/81/85/11/406818511.db2.gz DIVHIWXQYZEVCQ-UHFFFAOYSA-N 0 1 307.375 1.709 10 0 DDAEMN CC(C)(C)CCNC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105884265 407356282 /nfs/dbraw/zinc/35/62/82/407356282.db2.gz NLAOCDXSSQJOGM-CQSZACIVSA-N 0 1 307.442 1.543 10 0 DDAEMN CC(C)(C)OC[C@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106936029 407367921 /nfs/dbraw/zinc/36/79/21/407367921.db2.gz GFCFMNKPRZQXFU-QWHCGFSZSA-N 0 1 316.442 1.761 10 0 DDAEMN CCOC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106902322 407365944 /nfs/dbraw/zinc/36/59/44/407365944.db2.gz GTFDQLYDQXNDJM-OAHLLOKOSA-N 0 1 306.406 1.619 10 0 DDAEMN COC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000106915919 407366606 /nfs/dbraw/zinc/36/66/06/407366606.db2.gz CYFVIWBNNMNJSJ-CVEARBPZSA-N 0 1 318.417 1.571 10 0 DDAEMN CC(=O)c1cccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000112548920 407432267 /nfs/dbraw/zinc/43/22/67/407432267.db2.gz ARURDEZGADYHJR-BLLLJJGKSA-N 0 1 319.405 1.136 10 0 DDAEMN CCC[C@H](C(=O)OCC)N1CCN(CCOCC)[C@H](C)C1 ZINC000114802853 407617109 /nfs/dbraw/zinc/61/71/09/407617109.db2.gz GBTJTJCEIWUZDT-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1ccc(Br)s1 ZINC000226425296 407617297 /nfs/dbraw/zinc/61/72/97/407617297.db2.gz FFLJWLROHSTEAV-MRVPVSSYSA-N 0 1 307.213 1.143 10 0 DDAEMN NCc1nc(CN2CCCN(Cc3ccc(F)cc3)CC2)no1 ZINC000261821606 407627754 /nfs/dbraw/zinc/62/77/54/407627754.db2.gz SFUVFZZBLMPEGD-UHFFFAOYSA-N 0 1 319.384 1.375 10 0 DDAEMN O=c1[nH]cnc(N[C@@H]2CCSC2)c1I ZINC000231356921 407695563 /nfs/dbraw/zinc/69/55/63/407695563.db2.gz QOWLJUGYAXGIRR-RXMQYKEDSA-N 0 1 323.159 1.292 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000262067712 407728253 /nfs/dbraw/zinc/72/82/53/407728253.db2.gz BPGCWWXAJBLYNC-LLVKDONJSA-N 0 1 305.334 1.049 10 0 DDAEMN CC(C)(C)OC[C@H](O)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171347373 407663573 /nfs/dbraw/zinc/66/35/73/407663573.db2.gz CXUXHVNFYNJLQW-HZPDHXFCSA-N 0 1 320.433 1.726 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000262210400 407765769 /nfs/dbraw/zinc/76/57/69/407765769.db2.gz DWVRLETWEMTAIP-OCCSQVGLSA-N 0 1 312.385 1.709 10 0 DDAEMN O=C(C[C@H]1COCCN1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262303972 407791735 /nfs/dbraw/zinc/79/17/35/407791735.db2.gz BCDGOSHYQZTNLI-OLZOCXBDSA-N 0 1 320.393 1.032 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000262319295 407798133 /nfs/dbraw/zinc/79/81/33/407798133.db2.gz QBUULCAWRFOLIL-DGCLKSJQSA-N 0 1 310.394 1.633 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000262354790 407808642 /nfs/dbraw/zinc/80/86/42/407808642.db2.gz UWEPCSCGFDDFSN-LBPRGKRZSA-N 0 1 307.394 1.892 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000118859272 407958520 /nfs/dbraw/zinc/95/85/20/407958520.db2.gz RQVIZUQKHVKHCV-QGZVFWFLSA-N 0 1 319.449 1.277 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000174627846 407969440 /nfs/dbraw/zinc/96/94/40/407969440.db2.gz AIFWNMVPFHMLOK-WBVHZDCISA-N 0 1 304.434 1.841 10 0 DDAEMN CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262941280 407977561 /nfs/dbraw/zinc/97/75/61/407977561.db2.gz IUVBEFGNDNUOSQ-NXEZZACHSA-N 0 1 308.300 1.050 10 0 DDAEMN CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262941280 407977566 /nfs/dbraw/zinc/97/75/66/407977566.db2.gz IUVBEFGNDNUOSQ-NXEZZACHSA-N 0 1 308.300 1.050 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H](C)CSC)C[C@@H]1CC ZINC000153919030 407931632 /nfs/dbraw/zinc/93/16/32/407931632.db2.gz JTRLTELBPOFBPU-KBPBESRZSA-N 0 1 317.499 1.880 10 0 DDAEMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1CC(F)(F)CN1 ZINC000263158303 408042269 /nfs/dbraw/zinc/04/22/69/408042269.db2.gz DPTOXXXJOBJKTD-CQSZACIVSA-N 0 1 324.375 1.159 10 0 DDAEMN CC(C)n1cnc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000245544664 408012057 /nfs/dbraw/zinc/01/20/57/408012057.db2.gz MKWBZDDWMUPUDC-CHWSQXEVSA-N 0 1 314.455 1.471 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000263261406 408078383 /nfs/dbraw/zinc/07/83/83/408078383.db2.gz SPUUKAHZRXQJIY-IUCAKERBSA-N 0 1 312.320 1.582 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCN1C[C@@H](C)O ZINC000181951582 408055080 /nfs/dbraw/zinc/05/50/80/408055080.db2.gz KDQFTWKHTRDIBN-FMKPAKJESA-N 0 1 313.442 1.042 10 0 DDAEMN Cc1nscc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263475243 408149091 /nfs/dbraw/zinc/14/90/91/408149091.db2.gz ZARAQNJNGMHEFT-UHFFFAOYSA-N 0 1 323.418 1.509 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000263502844 408158665 /nfs/dbraw/zinc/15/86/65/408158665.db2.gz LFPUOBGIHUBLTJ-KZSQQDEKSA-N 0 1 322.380 1.556 10 0 DDAEMN CCOCCN1CCN(Cc2ncnn2CC(C)C)C[C@H]1CC ZINC000182752048 408238371 /nfs/dbraw/zinc/23/83/71/408238371.db2.gz YKGBQLYYVDISPF-MRXNPFEDSA-N 0 1 323.485 1.867 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000155743551 408203173 /nfs/dbraw/zinc/20/31/73/408203173.db2.gz OZVYWQBASITVGU-OAHLLOKOSA-N 0 1 309.454 1.040 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000246725433 408324324 /nfs/dbraw/zinc/32/43/24/408324324.db2.gz LTXLTSWBXXIHTK-STQMWFEESA-N 0 1 310.825 1.796 10 0 DDAEMN O[C@H](COC1CCOCC1)CN1CCOC2(CCCCC2)C1 ZINC000176171131 408301658 /nfs/dbraw/zinc/30/16/58/408301658.db2.gz DTOMSJMDCSVPKV-HNNXBMFYSA-N 0 1 313.438 1.578 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1C[C@@H](C)O ZINC000246793280 408342999 /nfs/dbraw/zinc/34/29/99/408342999.db2.gz JLSVRJDKMKDDAY-FMKPAKJESA-N 0 1 318.417 1.466 10 0 DDAEMN COCCC1(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCCC1 ZINC000133106969 162050815 /nfs/dbraw/zinc/05/08/15/162050815.db2.gz GTEXGWYDXLJQOX-ZDUSSCGKSA-N 0 1 322.409 1.610 10 0 DDAEMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCCO1 ZINC000183139526 408335979 /nfs/dbraw/zinc/33/59/79/408335979.db2.gz AABOTERLAVSEEP-SMDDNHRTSA-N 0 1 303.362 1.129 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NC[C@H]2CCCO2)C12CCCC2 ZINC000246937132 408370741 /nfs/dbraw/zinc/37/07/41/408370741.db2.gz UAFVQNBDDFZGBI-BZUAXINKSA-N 0 1 324.465 1.951 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)N(CC(C)C)C3CC3)CCO2)n[nH]1 ZINC000173679650 162356248 /nfs/dbraw/zinc/35/62/48/162356248.db2.gz SMWWENGMMPJNLM-CQSZACIVSA-N 0 1 321.425 1.133 10 0 DDAEMN Cc1nc([C@@H]2CN(CCCOCC(F)(F)F)CCO2)n[nH]1 ZINC000173667076 162356427 /nfs/dbraw/zinc/35/64/27/162356427.db2.gz NMUBXWVFZWODQM-JTQLQIEISA-N 0 1 308.304 1.455 10 0 DDAEMN Cc1nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n[nH]1 ZINC000173734420 162359999 /nfs/dbraw/zinc/35/99/99/162359999.db2.gz HEDUJSRRLMMZCN-ZDUSSCGKSA-N 0 1 322.390 1.016 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246978689 408379422 /nfs/dbraw/zinc/37/94/22/408379422.db2.gz MKHFLJOEMYOQAZ-JKSUJKDBSA-N 0 1 311.470 1.286 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000247186184 408423673 /nfs/dbraw/zinc/42/36/73/408423673.db2.gz LDTLQHISELIZMZ-MNOVXSKESA-N 0 1 316.373 1.822 10 0 DDAEMN CC(=O)NC1CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000191500738 408433729 /nfs/dbraw/zinc/43/37/29/408433729.db2.gz QQEZHXCMDXGPSQ-UHFFFAOYSA-N 0 1 302.309 1.176 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000176762552 408434661 /nfs/dbraw/zinc/43/46/61/408434661.db2.gz UAIFHYHYDSIZQD-GOEBONIOSA-N 0 1 315.417 1.039 10 0 DDAEMN CC[C@H](COC)NC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000247275726 408442762 /nfs/dbraw/zinc/44/27/62/408442762.db2.gz CPCOVAXDOOHGTK-ZIAGYGMSSA-N 0 1 301.431 1.164 10 0 DDAEMN Cc1noc([C@H]2COCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 ZINC000183761457 408484267 /nfs/dbraw/zinc/48/42/67/408484267.db2.gz UODICHRPESWGCU-GFCCVEGCSA-N 0 1 305.338 1.438 10 0 DDAEMN CN(C)C(=O)Sc1cccc(CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000184005784 408527330 /nfs/dbraw/zinc/52/73/30/408527330.db2.gz LKQSJHVZTJBVKQ-CHWSQXEVSA-N 0 1 310.419 1.388 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248343380 408551100 /nfs/dbraw/zinc/55/11/00/408551100.db2.gz KFPXDWBGHXQYKB-AWEZNQCLSA-N 0 1 303.406 1.804 10 0 DDAEMN C[C@@H](C1CC1)N(C(=O)CN1CCN2CCCC[C@H]2C1)C1CC1 ZINC000248370984 408552954 /nfs/dbraw/zinc/55/29/54/408552954.db2.gz YDWHVCKGLDZGHX-YOEHRIQHSA-N 0 1 305.466 1.946 10 0 DDAEMN CC(C)n1cnnc1[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248388702 408554713 /nfs/dbraw/zinc/55/47/13/408554713.db2.gz FMZLBFKVGOVDPT-WDEREUQCSA-N 0 1 306.332 1.962 10 0 DDAEMN CCCCCCNC(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177248811 408563664 /nfs/dbraw/zinc/56/36/64/408563664.db2.gz KBLQUBGMYZIJNZ-JKSUJKDBSA-N 0 1 311.470 1.335 10 0 DDAEMN CCCC[C@H](COC)NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000248697711 408618526 /nfs/dbraw/zinc/61/85/26/408618526.db2.gz ZAZMIWYDAZFGNC-RRFJBIMHSA-N 0 1 315.458 1.288 10 0 DDAEMN CCCCOCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000184973985 408727235 /nfs/dbraw/zinc/72/72/35/408727235.db2.gz NZEUVGCQQHWJAQ-CABCVRRESA-N 0 1 315.458 1.290 10 0 DDAEMN CC(C)N1CCC[C@@H](N2CCC(Nc3cccnn3)CC2)C1=O ZINC000177708743 408690771 /nfs/dbraw/zinc/69/07/71/408690771.db2.gz MYEZUSSJHVMTFL-OAHLLOKOSA-N 0 1 317.437 1.752 10 0 DDAEMN CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CC)C1 ZINC000194150075 408768459 /nfs/dbraw/zinc/76/84/59/408768459.db2.gz JWYFKSHNZJDNGY-ZDUSSCGKSA-N 0 1 319.405 1.624 10 0 DDAEMN CC(C)CNC(=O)[C@@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249857030 408770775 /nfs/dbraw/zinc/77/07/75/408770775.db2.gz DPSYGPSBUPDVFY-CABCVRRESA-N 0 1 304.438 1.976 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@@H](O)CC)CC1 ZINC000192045053 163215011 /nfs/dbraw/zinc/21/50/11/163215011.db2.gz MINYVSSBVPBIIF-UONOGXRCSA-N 0 1 300.443 1.495 10 0 DDAEMN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195051957 163304005 /nfs/dbraw/zinc/30/40/05/163304005.db2.gz LLEJLTFZRBGJHQ-STQMWFEESA-N 0 1 311.426 1.596 10 0 DDAEMN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195051957 163304007 /nfs/dbraw/zinc/30/40/07/163304007.db2.gz LLEJLTFZRBGJHQ-STQMWFEESA-N 0 1 311.426 1.596 10 0 DDAEMN O=C(CNC(=O)c1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000195319762 163317687 /nfs/dbraw/zinc/31/76/87/163317687.db2.gz PEDRZMADRUQMAV-OAHLLOKOSA-N 0 1 301.390 1.113 10 0 DDAEMN Cc1cnc([C@@H](C)NC[C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000230642155 163348774 /nfs/dbraw/zinc/34/87/74/163348774.db2.gz IQAMYUMTGMXAJW-VXGBXAGGSA-N 0 1 301.412 1.305 10 0 DDAEMN CC[C@H](NC(=O)[C@H](N)COC)c1ccccc1OC(F)F ZINC000262311936 163804685 /nfs/dbraw/zinc/80/46/85/163804685.db2.gz PDNUATZXQGXYSB-MNOVXSKESA-N 0 1 302.321 1.829 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000262512086 163841179 /nfs/dbraw/zinc/84/11/79/163841179.db2.gz JSBPONGKAZPKHJ-RRFJBIMHSA-N 0 1 308.378 1.281 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)cc2C)C1 ZINC000262710390 163868079 /nfs/dbraw/zinc/86/80/79/163868079.db2.gz LMKCUJZWRNDZEB-UHFFFAOYSA-N 0 1 304.390 1.971 10 0 DDAEMN CCc1cccnc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263411136 163963646 /nfs/dbraw/zinc/96/36/46/163963646.db2.gz IZBMIMBBLCIHJS-UHFFFAOYSA-N 0 1 305.378 1.311 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(SC)CC2)CCN1CCOC ZINC000195169720 222193832 /nfs/dbraw/zinc/19/38/32/222193832.db2.gz ZCULDWKEKBGXNS-ZDUSSCGKSA-N 0 1 315.483 1.634 10 0 DDAEMN Cc1ccc(F)cc1C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O ZINC000527560493 421414195 /nfs/dbraw/zinc/41/41/95/421414195.db2.gz KDPFZMLNGBSHKF-SUNKGSAMSA-N 0 1 318.352 1.537 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC(Nc2cc[nH]n2)CC1 ZINC000616619750 422515967 /nfs/dbraw/zinc/51/59/67/422515967.db2.gz QGQPHGLJBBKQMM-UHFFFAOYSA-N 0 1 309.414 1.811 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCC[C@H]1CCCO1 ZINC000637901488 422461002 /nfs/dbraw/zinc/46/10/02/422461002.db2.gz DTSCRQPZYBFVLH-NUEKZKHPSA-N 0 1 306.406 1.604 10 0 DDAEMN C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1C[NH3+] ZINC000638893173 423180575 /nfs/dbraw/zinc/18/05/75/423180575.db2.gz LSQZHNBWZOTJBQ-BDAKNGLRSA-N 0 1 313.195 1.822 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000122655002 293092231 /nfs/dbraw/zinc/09/22/31/293092231.db2.gz KSJFPNGDEKMBLF-OCCSQVGLSA-N 0 1 320.437 1.634 10 0 DDAEMN Cc1nn(C)c2ncc(NC(=O)[C@H]3CCc4[nH]nnc4C3)cc12 ZINC000671438649 485032784 /nfs/dbraw/zinc/03/27/84/485032784.db2.gz UNWNWWIWSNGBLF-VIFPVBQESA-N 0 1 311.349 1.138 10 0 DDAEMN Cc1nn(C)c2ncc(NC(=O)[C@H]3CCc4nn[nH]c4C3)cc12 ZINC000671438649 485032789 /nfs/dbraw/zinc/03/27/89/485032789.db2.gz UNWNWWIWSNGBLF-VIFPVBQESA-N 0 1 311.349 1.138 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H](CC)COC)C[C@H]1CC ZINC000163190590 519914805 /nfs/dbraw/zinc/91/48/05/519914805.db2.gz MZBIPACFTWPFBB-LSDHHAIUSA-N 0 1 315.458 1.554 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C(F)(F)c3ccccc3)CCO2)n[nH]1 ZINC000173602412 697379959 /nfs/dbraw/zinc/37/99/59/697379959.db2.gz BEIJCRDFBAUPOW-GFCCVEGCSA-N 0 1 322.315 1.805 10 0 DDAEMN COCCN1CCN(CN2C[C@H](CC(C)C)CC2=O)C[C@H]1C ZINC000174077922 697383804 /nfs/dbraw/zinc/38/38/04/697383804.db2.gz KTEHNZKAMUCJJK-HZPDHXFCSA-N 0 1 311.470 1.491 10 0 DDAEMN COC(=O)[C@@H]1CN(CC(=O)N(C)Cc2cccs2)C[C@@H]1C ZINC000227748582 697771313 /nfs/dbraw/zinc/77/13/13/697771313.db2.gz ZSVJNBBEDYQSDA-WCQYABFASA-N 0 1 310.419 1.447 10 0 DDAEMN COCCN1CCN(Cn2c3cc(C)ccc3oc2=O)C[C@@H]1C ZINC000247257589 698364020 /nfs/dbraw/zinc/36/40/20/698364020.db2.gz YEODIRYZCHTLPS-AWEZNQCLSA-N 0 1 319.405 1.513 10 0 DDAEMN CCOc1ccc(Br)cc1CN=Nc1nn[nH]n1 ZINC000250508101 698399507 /nfs/dbraw/zinc/39/95/07/698399507.db2.gz GHMRSZMKUJXWSL-UHFFFAOYSA-N 0 1 311.143 1.807 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)C(F)(F)F ZINC000262490803 698471551 /nfs/dbraw/zinc/47/15/51/698471551.db2.gz KZIBUKOXBXEWCS-CMPLNLGQSA-N 0 1 315.295 1.077 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H](C)[C@@H]2C)C1 ZINC000262946117 698484922 /nfs/dbraw/zinc/48/49/22/698484922.db2.gz AGNROPSYBXZJKI-FEPKRQSRSA-N 0 1 311.426 1.754 10 0 DDAEMN O=C(c1cscc1C(F)F)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000717224836 699286725 /nfs/dbraw/zinc/28/67/25/699286725.db2.gz PAOGBCNLGHJCLY-QWRGUYRKSA-N 0 1 302.346 1.889 10 0 DDAEMN Cc1ncc(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)n1-c1ccccc1 ZINC000888076165 709209383 /nfs/dbraw/zinc/20/93/83/709209383.db2.gz CCRGNBXYZKAMIW-RCCFBDPRSA-N 0 1 323.400 1.841 10 0 DDAEMN CC[C@H](CSC)NC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248504907 282088067 /nfs/dbraw/zinc/08/80/67/282088067.db2.gz VSMGPVNJWYHIPH-BFHYXJOUSA-N 0 1 317.499 1.615 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134480422 282104967 /nfs/dbraw/zinc/10/49/67/282104967.db2.gz HUIVHPXRTQFOFJ-GXFFZTMASA-N 0 1 300.366 1.381 10 0 DDAEMN CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)N(C)C ZINC000162284341 197556815 /nfs/dbraw/zinc/55/68/15/197556815.db2.gz NRAUDHWZBQNXKL-JKSUJKDBSA-N 0 1 317.433 1.947 10 0 DDAEMN CC[C@@H](C)S(=O)(=O)C[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000081938109 192342927 /nfs/dbraw/zinc/34/29/27/192342927.db2.gz WEFVAFIAAPFGTR-ZYHUDNBSSA-N 0 1 301.408 1.917 10 0 DDAEMN CC(C)[C@@H]1CCCN(S(=O)(=O)c2cnc(NN)nc2)CC1 ZINC000079357951 185166947 /nfs/dbraw/zinc/16/69/47/185166947.db2.gz CWRXACLXMQYWBM-LLVKDONJSA-N 0 1 313.427 1.209 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H](C)[C@H](N)c1ccc(CC)cc1 ZINC000081977259 192347770 /nfs/dbraw/zinc/34/77/70/192347770.db2.gz BMOAFCJXPZFJBP-NHYWBVRUSA-N 0 1 313.419 1.615 10 0 DDAEMN CCc1nn(C)cc1CN1CCC(Nc2cccnn2)CC1 ZINC000180079751 539235414 /nfs/dbraw/zinc/23/54/14/539235414.db2.gz DRVZLJZHNALQHC-UHFFFAOYSA-N 0 1 300.410 1.849 10 0 DDAEMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1[nH]nc2ccccc21 ZINC000088280691 185244600 /nfs/dbraw/zinc/24/46/00/185244600.db2.gz LXSNMRFNKJBZFO-ZDUSSCGKSA-N 0 1 324.388 1.911 10 0 DDAEMN CC(C)Cc1nnc(NC(=O)CN[C@@H](C)[C@H]2CCCO2)s1 ZINC000183130842 539240808 /nfs/dbraw/zinc/24/08/08/539240808.db2.gz AEGJGQPFBSRVFR-WDEREUQCSA-N 0 1 312.439 1.832 10 0 DDAEMN CNC(=O)[C@H](NCc1cccc(C(=O)NCC(C)C)c1)C(C)C ZINC000183642434 539242571 /nfs/dbraw/zinc/24/25/71/539242571.db2.gz QHLJXGZKGOUBAL-MRXNPFEDSA-N 0 1 319.449 1.933 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)C(C)C ZINC000183638127 539242718 /nfs/dbraw/zinc/24/27/18/539242718.db2.gz DEEBRSJFHIBGMN-CYBMUJFWSA-N 0 1 315.776 1.778 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000183668798 539242850 /nfs/dbraw/zinc/24/28/50/539242850.db2.gz CFLPUUWAXHDXGE-RHSMWYFYSA-N 0 1 319.449 1.841 10 0 DDAEMN CCCCc1nc(Cl)c(CNCCCS(C)(=O)=O)[nH]1 ZINC000088399042 185248425 /nfs/dbraw/zinc/24/84/25/185248425.db2.gz PZJXOZCLSLHSKD-UHFFFAOYSA-N 0 1 307.847 1.930 10 0 DDAEMN Cc1n[nH]c(C)c1S(=O)(=O)N1CCNCC12CCCCC2 ZINC000088396197 185248543 /nfs/dbraw/zinc/24/85/43/185248543.db2.gz JHCJJZDGENYLEW-UHFFFAOYSA-N 0 1 312.439 1.323 10 0 DDAEMN CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CNC)o1 ZINC000088544070 185256901 /nfs/dbraw/zinc/25/69/01/185256901.db2.gz WAIGXORMPGPLIT-UHFFFAOYSA-N 0 1 314.329 1.962 10 0 DDAEMN NCc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)o1 ZINC000088542484 185256373 /nfs/dbraw/zinc/25/63/73/185256373.db2.gz ZDZHASLYJSSXEC-ZDUSSCGKSA-N 0 1 306.387 1.574 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N(C)c2ccc(OC)cc2)o1 ZINC000088544258 185256582 /nfs/dbraw/zinc/25/65/82/185256582.db2.gz HSOWIPVMGLCQRR-UHFFFAOYSA-N 0 1 310.375 1.833 10 0 DDAEMN CCC1CCC(N(C)S(=O)(=O)c2c(C)[nH]nc2CO)CC1 ZINC000088887722 185269533 /nfs/dbraw/zinc/26/95/33/185269533.db2.gz ACOOJMYSOZJLDX-UHFFFAOYSA-N 0 1 315.439 1.800 10 0 DDAEMN CCCCNC(=O)[C@H](C)[N@@H+](CCC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090529431 185300823 /nfs/dbraw/zinc/30/08/23/185300823.db2.gz HJCNEZWZIVBWEV-RWMBFGLXSA-N 0 1 300.399 1.103 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2cccc(C(N)=S)c2)ccn1 ZINC000092350155 185313402 /nfs/dbraw/zinc/31/34/02/185313402.db2.gz UMXMGQHEJGGCSN-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN Cc1cc(NS(=O)(=O)Cc2ccccc2C(N)=S)ccn1 ZINC000092350162 185313646 /nfs/dbraw/zinc/31/36/46/185313646.db2.gz YRTFEKFSZMAQRD-UHFFFAOYSA-N 0 1 321.427 1.966 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1 ZINC000092445306 185318917 /nfs/dbraw/zinc/31/89/17/185318917.db2.gz JKQCWSNAWZKCJF-VIFPVBQESA-N 0 1 311.304 1.129 10 0 DDAEMN CCNc1ccncc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092672235 185332942 /nfs/dbraw/zinc/33/29/42/185332942.db2.gz MMUDYOSEAIPGHO-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000092672416 185332958 /nfs/dbraw/zinc/33/29/58/185332958.db2.gz PGCAKYFBDAKFMU-CQSZACIVSA-N 0 1 311.451 1.833 10 0 DDAEMN Cc1cc(N)c(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1C ZINC000092622036 185329851 /nfs/dbraw/zinc/32/98/51/185329851.db2.gz KZKYVNRPVOTECV-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)ccc1N ZINC000092622787 185330098 /nfs/dbraw/zinc/33/00/98/185330098.db2.gz ZTBBOLYOUBRCOK-GFCCVEGCSA-N 0 1 315.414 1.513 10 0 DDAEMN COc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092779501 185340070 /nfs/dbraw/zinc/34/00/70/185340070.db2.gz TUBAWDJSBVLKRQ-NSHDSACASA-N 0 1 306.753 1.725 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1ccccc1Cl ZINC000092781410 185340411 /nfs/dbraw/zinc/34/04/11/185340411.db2.gz FNVQCCCRIUJKGU-NOZJJQNGSA-N 0 1 304.781 1.955 10 0 DDAEMN C[C@@H]1CC[C@H](n2nnc(CN)c2I)C1 ZINC000675051955 539562492 /nfs/dbraw/zinc/56/24/92/539562492.db2.gz YIWROCSWZXMWSX-RQJHMYQMSA-N 0 1 306.151 1.703 10 0 DDAEMN CCCNC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271642 539570425 /nfs/dbraw/zinc/57/04/25/539570425.db2.gz JHYXDKCTYHXUJT-CMPLNLGQSA-N 0 1 311.455 1.645 10 0 DDAEMN COCCNCc1c(C)nn(C)c1N1C[C@@H](C)S[C@H](C)C1 ZINC000070384683 190883222 /nfs/dbraw/zinc/88/32/22/190883222.db2.gz DHLISGYZIAVIBJ-VXGBXAGGSA-N 0 1 312.483 1.795 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000170873591 197843704 /nfs/dbraw/zinc/84/37/04/197843704.db2.gz ATXLGGNDHUXUFQ-JTQLQIEISA-N 0 1 302.371 1.159 10 0 DDAEMN O[C@H]1COCC[C@@H]1NCc1cccc(F)c1Br ZINC000623766335 366045242 /nfs/dbraw/zinc/04/52/42/366045242.db2.gz DPOICVPHZQNPSO-QWRGUYRKSA-N 0 1 304.159 1.828 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(OC)cc3)CCO2)n[nH]1 ZINC000173578497 198230033 /nfs/dbraw/zinc/23/00/33/198230033.db2.gz RZFHHDYDMUWBRG-CYBMUJFWSA-N 0 1 316.361 1.589 10 0 DDAEMN Cc1ccc(C)c(CC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174305689 198317413 /nfs/dbraw/zinc/31/74/13/198317413.db2.gz LRPDHCZSPUCSSK-JKSUJKDBSA-N 0 1 304.434 1.759 10 0 DDAEMN Cc1nc2ccc(CC(=O)N3CCC4(CC3)OCCO4)cc2[nH]1 ZINC000074973998 191399836 /nfs/dbraw/zinc/39/98/36/191399836.db2.gz BFKFFIZNZQPPGQ-UHFFFAOYSA-N 0 1 315.373 1.779 10 0 DDAEMN C[C@@H](N)c1csc(NC(=O)[C@H]2COc3ccccc3O2)n1 ZINC000080862662 192196479 /nfs/dbraw/zinc/19/64/79/192196479.db2.gz PMBLQGLDWDJWOV-PRHODGIISA-N 0 1 305.359 1.941 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCC(C)CC2)n1 ZINC000080868538 192196963 /nfs/dbraw/zinc/19/69/63/192196963.db2.gz KYRXZFZNTUZELY-SNVBAGLBSA-N 0 1 318.468 1.812 10 0 DDAEMN Cc1ccncc1NS(=O)(=O)c1cnc(NN)c(Cl)c1 ZINC000081672095 192310099 /nfs/dbraw/zinc/31/00/99/192310099.db2.gz OLNARHOJLPHGGJ-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN COCc1nc(C(C)C)c(I)c(=O)[nH]1 ZINC000085449180 192506301 /nfs/dbraw/zinc/50/63/01/192506301.db2.gz OUYWCRMKHNFYIC-UHFFFAOYSA-N 0 1 308.119 1.644 10 0 DDAEMN CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1c(C)oc(C)c1CN ZINC000088990956 192684390 /nfs/dbraw/zinc/68/43/90/192684390.db2.gz BHYBTZDKOXYUFJ-BXKDBHETSA-N 0 1 316.423 1.543 10 0 DDAEMN COc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000179659582 199071435 /nfs/dbraw/zinc/07/14/35/199071435.db2.gz YHLIURMMVDNVKW-GFCCVEGCSA-N 0 1 306.362 1.330 10 0 DDAEMN CCCC[C@H](C)NS(=O)(=O)c1c(C)n[nH]c1CNCC ZINC000089022449 192701345 /nfs/dbraw/zinc/70/13/45/192701345.db2.gz YURHZPWCLNVHGJ-JTQLQIEISA-N 0 1 302.444 1.685 10 0 DDAEMN O=C([O-])[C@@H]1CCCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000263389545 295986707 /nfs/dbraw/zinc/98/67/07/295986707.db2.gz FUKIGZUAVYYTTJ-NEPJUHHUSA-N 0 1 306.366 1.369 10 0 DDAEMN CCc1nn(C)c(CNCCCC(N)=O)c1Br ZINC000089309844 192764623 /nfs/dbraw/zinc/76/46/23/192764623.db2.gz CGTZCOAHGUKBKC-UHFFFAOYSA-N 0 1 303.204 1.100 10 0 DDAEMN C[C@@H]1OCCC[C@@H]1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000190265125 200509400 /nfs/dbraw/zinc/50/94/00/200509400.db2.gz KGQKKGFAODDDRJ-JSGCOSHPSA-N 0 1 314.389 1.946 10 0 DDAEMN C[C@@H](NC(=O)[C@@](C)(N)c1ccccc1)C(=O)N1CCCCC1 ZINC000195524315 201397915 /nfs/dbraw/zinc/39/79/15/201397915.db2.gz LOBGGQJTPLBBGC-DYVFJYSZSA-N 0 1 303.406 1.378 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(N)cc1Cl)N(C)CC1CC(O)C1 ZINC000091450849 193057340 /nfs/dbraw/zinc/05/73/40/193057340.db2.gz KLAOPMBLRQWOEY-BMQDGWLCSA-N 0 1 311.813 1.952 10 0 DDAEMN CN1CCC(NS(=O)(=O)c2c[nH]c3cc(N)ccc32)CC1 ZINC000091499688 193065021 /nfs/dbraw/zinc/06/50/21/193065021.db2.gz OKLMOYHJWYZPAX-UHFFFAOYSA-N 0 1 308.407 1.123 10 0 DDAEMN O=C(C[C@H]1COCCN1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000262245721 203239976 /nfs/dbraw/zinc/23/99/76/203239976.db2.gz SAZSCLFWRMWUMI-FUHWJXTLSA-N 0 1 318.417 1.337 10 0 DDAEMN O=C(C[C@H]1COCCN1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000262557105 203329124 /nfs/dbraw/zinc/32/91/24/203329124.db2.gz PSUBKCRZHWDSQQ-QWHCGFSZSA-N 0 1 316.323 1.655 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2c(C)cc(N)cc2C)C1 ZINC000093648537 193283661 /nfs/dbraw/zinc/28/36/61/193283661.db2.gz RNOCVGDDPAZBPY-CQSZACIVSA-N 0 1 311.451 1.648 10 0 DDAEMN CC(C)CNCc1cn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645182 193389997 /nfs/dbraw/zinc/38/99/97/193389997.db2.gz XVQSKLOWRHTNPH-UONOGXRCSA-N 0 1 314.455 1.552 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccnc(Cl)c1 ZINC000094459470 193370649 /nfs/dbraw/zinc/37/06/49/193370649.db2.gz JNRNPAZTPVKJLY-WDEREUQCSA-N 0 1 315.826 1.592 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(C)c(C)cc2N)C1 ZINC000040501850 183083706 /nfs/dbraw/zinc/08/37/06/183083706.db2.gz LXZAXIVAWDAUIY-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1c(N)cccc1S(=O)(=O)NCCN1CCCCCC1 ZINC000040767223 183131131 /nfs/dbraw/zinc/13/11/31/183131131.db2.gz FUBZLUKAJRVWPX-UHFFFAOYSA-N 0 1 311.451 1.732 10 0 DDAEMN Cn1cc(CCCNC(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000105232740 194087702 /nfs/dbraw/zinc/08/77/02/194087702.db2.gz VOBDYMSOFXOFEA-HNNXBMFYSA-N 0 1 305.426 1.232 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC000105821386 194136728 /nfs/dbraw/zinc/13/67/28/194136728.db2.gz LMSOTTNLIWNUII-HZPDHXFCSA-N 0 1 319.449 1.032 10 0 DDAEMN CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105824228 194137322 /nfs/dbraw/zinc/13/73/22/194137322.db2.gz KZNXKYYHOXHOIQ-ARFHVFGLSA-N 0 1 313.486 1.266 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(Cc3ccccn3)CC2)C1 ZINC000105915170 194167823 /nfs/dbraw/zinc/16/78/23/194167823.db2.gz ZKAHDAHUZHFSRM-SFHVURJKSA-N 0 1 318.465 1.308 10 0 DDAEMN Cc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c(F)c1 ZINC000105932988 194173623 /nfs/dbraw/zinc/17/36/23/194173623.db2.gz RXDOKHIHWQJAAN-QWHCGFSZSA-N 0 1 309.385 1.381 10 0 DDAEMN COCCN1CCN(Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000106108240 194185797 /nfs/dbraw/zinc/18/57/97/194185797.db2.gz RCAXNNSALCUTKR-AWEZNQCLSA-N 0 1 306.406 1.626 10 0 DDAEMN CCn1cc(C2CCN(CCNS(=O)(=O)CC)CC2)cn1 ZINC000109326966 194258499 /nfs/dbraw/zinc/25/84/99/194258499.db2.gz GEJMDRFCOTUAIN-UHFFFAOYSA-N 0 1 314.455 1.022 10 0 DDAEMN Cc1ccc(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)cc1 ZINC000109465587 194265543 /nfs/dbraw/zinc/26/55/43/194265543.db2.gz YSASPKKQUYRBDZ-UHFFFAOYSA-N 0 1 305.447 1.818 10 0 DDAEMN CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000110927432 194369871 /nfs/dbraw/zinc/36/98/71/194369871.db2.gz SZVNCOKKRQOSPY-SNVBAGLBSA-N 0 1 313.195 1.979 10 0 DDAEMN CSCc1ccc(C(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)o1 ZINC000061144977 184163038 /nfs/dbraw/zinc/16/30/38/184163038.db2.gz QJHDFZJVLZJNSJ-UHFFFAOYSA-N 0 1 312.391 1.375 10 0 DDAEMN CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)C[C@H](C)C(=O)[O-] ZINC000061218896 184166227 /nfs/dbraw/zinc/16/62/27/184166227.db2.gz BCYAOYNNRQPSEP-JTQLQIEISA-N 0 1 313.423 1.316 10 0 DDAEMN CC(C)n1c(SCc2nc3ccc(N)cc3[nH]2)n[nH]c1=O ZINC000061595029 184176620 /nfs/dbraw/zinc/17/66/20/184176620.db2.gz SNHBLBHWUDNLEX-UHFFFAOYSA-N 0 1 304.379 1.903 10 0 DDAEMN CCC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752815 184252481 /nfs/dbraw/zinc/25/24/81/184252481.db2.gz JHYRCHILGUUUDA-RFQIPJPRSA-N 0 1 317.451 1.775 10 0 DDAEMN NC(=O)c1ccc(N2CCC[N@@H+](CC(=O)[O-])CC2)c(Cl)c1 ZINC000062790567 184252926 /nfs/dbraw/zinc/25/29/26/184252926.db2.gz LYBDOXYHVZDUNS-UHFFFAOYSA-N 0 1 311.769 1.036 10 0 DDAEMN O=C1CCCN1C[C@@H]1CO[C@H]2CN(Cc3ccccn3)C[C@@H]12 ZINC000248070333 257109926 /nfs/dbraw/zinc/10/99/26/257109926.db2.gz XTXMOJMBFDNKPW-KBMXLJTQSA-N 0 1 301.390 1.151 10 0 DDAEMN C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCO1 ZINC000068414045 406639346 /nfs/dbraw/zinc/63/93/46/406639346.db2.gz XWESJRMQUXNUBW-UKRRQHHQSA-N 0 1 318.421 1.131 10 0 DDAEMN CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000072236818 406875044 /nfs/dbraw/zinc/87/50/44/406875044.db2.gz ZNHYEYTXDKKYEU-UHFFFAOYSA-N 0 1 307.398 1.735 10 0 DDAEMN NC(=O)NCCC[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000071788446 406843244 /nfs/dbraw/zinc/84/32/44/406843244.db2.gz LZLJCZMVMABGSQ-AWEZNQCLSA-N 0 1 300.362 1.554 10 0 DDAEMN CN(CC(=O)N1CCCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802924 407355102 /nfs/dbraw/zinc/35/51/02/407355102.db2.gz JCTGITOSWNMPKZ-HNNXBMFYSA-N 0 1 317.437 1.390 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000123600615 407334206 /nfs/dbraw/zinc/33/42/06/407334206.db2.gz CIPRZERZMLSIRT-MRXNPFEDSA-N 0 1 305.422 1.534 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(F)cc1F ZINC000105932564 407358053 /nfs/dbraw/zinc/35/80/53/407358053.db2.gz GDIDPAASQTVHBW-JQWIXIFHSA-N 0 1 313.348 1.212 10 0 DDAEMN CC1(C)CO[C@H](c2ccccc2)CN1CCCC(=O)NC(N)=O ZINC000170778925 407502610 /nfs/dbraw/zinc/50/26/10/407502610.db2.gz VQGWZPQDDFMEQV-AWEZNQCLSA-N 0 1 319.405 1.814 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000170873596 407541430 /nfs/dbraw/zinc/54/14/30/407541430.db2.gz NDVADQYSSATPBP-NSHDSACASA-N 0 1 302.827 1.973 10 0 DDAEMN N[C@@H]1CN(c2ccc(Br)cc2Br)C1=O ZINC000227621369 407636394 /nfs/dbraw/zinc/63/63/94/407636394.db2.gz MBRWNFAGBPNOEV-SSDOTTSWSA-N 0 1 319.984 1.886 10 0 DDAEMN CC1CCC(N2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)CC1 ZINC000261723421 407592299 /nfs/dbraw/zinc/59/22/99/407592299.db2.gz CMTQSSRTYKIFON-PREGVCBESA-N 0 1 323.481 1.463 10 0 DDAEMN CCO[C@H]1C[C@H](NCc2nnc3n2CCCC3)C12CCOCC2 ZINC000186504452 407686594 /nfs/dbraw/zinc/68/65/94/407686594.db2.gz FVKJEGNXWIBXFQ-KBPBESRZSA-N 0 1 320.437 1.678 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000262203452 407762021 /nfs/dbraw/zinc/76/20/21/407762021.db2.gz NHTDHNOMROIAMF-OLZOCXBDSA-N 0 1 308.378 1.547 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000262233336 407771869 /nfs/dbraw/zinc/77/18/69/407771869.db2.gz HBAHWWXZWGBWPL-OAHLLOKOSA-N 0 1 308.378 1.404 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2c(C)noc2C)C[C@@H]1CC ZINC000116768070 407773527 /nfs/dbraw/zinc/77/35/27/407773527.db2.gz JTTIJKANCHITFJ-HNNXBMFYSA-N 0 1 323.437 1.793 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000262308799 407793329 /nfs/dbraw/zinc/79/33/29/407793329.db2.gz OTPOXSRMQIITDA-AWEZNQCLSA-N 0 1 308.378 1.169 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000262328186 407799223 /nfs/dbraw/zinc/79/92/23/407799223.db2.gz RIEYLLCFUSGXKZ-SJORKVTESA-N 0 1 314.385 1.897 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(CCOC)[C@@H](CC)C2)n[nH]1 ZINC000117300744 407827313 /nfs/dbraw/zinc/82/73/13/407827313.db2.gz CNRBFLZKGQTXDI-AWEZNQCLSA-N 0 1 308.426 1.545 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc[nH]c2=S)CCN1CCOC ZINC000117305152 407827776 /nfs/dbraw/zinc/82/77/76/407827776.db2.gz CSFGEOCKGBWFLN-LBPRGKRZSA-N 0 1 309.435 1.927 10 0 DDAEMN COCC[N@@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000117424869 407836396 /nfs/dbraw/zinc/83/63/96/407836396.db2.gz TZOOZWILRZDISU-NSHDSACASA-N 0 1 312.797 1.838 10 0 DDAEMN COCC[N@H+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000117424869 407836400 /nfs/dbraw/zinc/83/64/00/407836400.db2.gz TZOOZWILRZDISU-NSHDSACASA-N 0 1 312.797 1.838 10 0 DDAEMN C[C@@H]1CC[C@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)O1 ZINC000180288849 407873167 /nfs/dbraw/zinc/87/31/67/407873167.db2.gz LNAZFHNFWBZMLX-NVXWUHKLSA-N 0 1 324.465 1.905 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000118858588 407958768 /nfs/dbraw/zinc/95/87/68/407958768.db2.gz DSOSXRCSTOZYRH-HOCLYGCPSA-N 0 1 305.422 1.402 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H]2CC=CCC2)C1 ZINC000262938424 407978000 /nfs/dbraw/zinc/97/80/00/407978000.db2.gz HDUODBCXOFBEHI-HSBZDZAISA-N 0 1 309.410 1.579 10 0 DDAEMN CCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nnc[nH]2)C1 ZINC000181364359 407984984 /nfs/dbraw/zinc/98/49/84/407984984.db2.gz BCMGGNJHJPIKLT-CHWSQXEVSA-N 0 1 319.409 1.507 10 0 DDAEMN Cc1ccc(C)c(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262984977 407994236 /nfs/dbraw/zinc/99/42/36/407994236.db2.gz URSXISOUIOKVBA-CQSZACIVSA-N 0 1 320.389 1.161 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000175187176 408071059 /nfs/dbraw/zinc/07/10/59/408071059.db2.gz VKPYNOKUOUDXFJ-AWEZNQCLSA-N 0 1 319.453 1.633 10 0 DDAEMN COC(=O)c1ccccc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245724001 408054556 /nfs/dbraw/zinc/05/45/56/408054556.db2.gz ILLFRCZSZBQDSC-KBPBESRZSA-N 0 1 306.406 1.360 10 0 DDAEMN O=C([O-])[C@H]1CCCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000263389546 408127897 /nfs/dbraw/zinc/12/78/97/408127897.db2.gz FUKIGZUAVYYTTJ-NWDGAFQWSA-N 0 1 306.366 1.369 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)C)on2)C1 ZINC000263444178 408140726 /nfs/dbraw/zinc/14/07/26/408140726.db2.gz QKYICOGKQPGABH-UHFFFAOYSA-N 0 1 309.366 1.465 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC(C)=C(C)C2)C1 ZINC000263455541 408143453 /nfs/dbraw/zinc/14/34/53/408143453.db2.gz HGRCBNUGWFLPJR-UHFFFAOYSA-N 0 1 309.410 1.676 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000263460488 408146915 /nfs/dbraw/zinc/14/69/15/408146915.db2.gz IQBJKSVTFBKEOG-DGKWVBSXSA-N 0 1 323.437 1.756 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC2(C3CCC3)CCC2)C1 ZINC000263493800 408157617 /nfs/dbraw/zinc/15/76/17/408157617.db2.gz SCXTWLJYXRSELO-UHFFFAOYSA-N 0 1 323.437 1.946 10 0 DDAEMN CCN1CCCN(C[C@H](O)COCc2ccccc2)CC1=O ZINC000190187447 408184863 /nfs/dbraw/zinc/18/48/63/408184863.db2.gz FAQWGRMNVCBIDW-INIZCTEOSA-N 0 1 306.406 1.118 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(F)cc1F ZINC000175796398 408208624 /nfs/dbraw/zinc/20/86/24/408208624.db2.gz SJHDPESOJCQZNS-LLVKDONJSA-N 0 1 316.373 1.742 10 0 DDAEMN O=C(CSc1n[n-]c(=S)s1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176241639 408322116 /nfs/dbraw/zinc/32/21/16/408322116.db2.gz MJGWANCEGLSFHO-MRVPVSSYSA-N 0 1 316.477 1.599 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCc3[nH]ncc31)CC2 ZINC000134357905 162077577 /nfs/dbraw/zinc/07/75/77/162077577.db2.gz HXDGIAQVOHSQJW-WDEREUQCSA-N 0 1 314.393 1.115 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1nnc2n1CCCC2 ZINC000135278602 162097892 /nfs/dbraw/zinc/09/78/92/162097892.db2.gz RTLJAZPPFHZKAE-WDEREUQCSA-N 0 1 314.393 1.635 10 0 DDAEMN Cc1cc(C)n(C[C@@H]2CN(CCCn3ccnc3)CCO2)n1 ZINC000183176042 408344327 /nfs/dbraw/zinc/34/43/27/408344327.db2.gz GIQRGXIGKIUCRU-INIZCTEOSA-N 0 1 303.410 1.488 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N3CCN4CCC[C@@H]4C3)cc12 ZINC000171585598 162226573 /nfs/dbraw/zinc/22/65/73/162226573.db2.gz VKHQOXGBILZMGX-LLVKDONJSA-N 0 1 304.419 1.863 10 0 DDAEMN C[C@H](NC(=O)c1ccc(CN)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000176446047 408370984 /nfs/dbraw/zinc/37/09/84/408370984.db2.gz QWLSTQGUEGNLMH-JTQLQIEISA-N 0 1 322.386 1.633 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CC3(Cl)Cl)CCO2)n[nH]1 ZINC000173516047 162345066 /nfs/dbraw/zinc/34/50/66/162345066.db2.gz SNWINXHUFNNZJN-YUMQZZPRSA-N 0 1 305.165 1.207 10 0 DDAEMN COC(=O)c1cc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)oc1C ZINC000173666790 162355233 /nfs/dbraw/zinc/35/52/33/162355233.db2.gz HGJKAKIFVGNOJT-CYBMUJFWSA-N 0 1 320.349 1.375 10 0 DDAEMN Cc1nc([C@H]2CN(CCOc3ccccc3F)CCO2)n[nH]1 ZINC000173666654 162356267 /nfs/dbraw/zinc/35/62/67/162356267.db2.gz PKVYGMVHXUDCQH-CQSZACIVSA-N 0 1 306.341 1.705 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1F ZINC000247224339 408433975 /nfs/dbraw/zinc/43/39/75/408433975.db2.gz MKVKLMPVJYUDBE-OCCSQVGLSA-N 0 1 312.410 1.824 10 0 DDAEMN O=S(=O)(c1cccc(Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000247505745 408485077 /nfs/dbraw/zinc/48/50/77/408485077.db2.gz OMEJCVXUNXOKKC-LBPRGKRZSA-N 0 1 300.811 1.809 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000247402798 408465529 /nfs/dbraw/zinc/46/55/29/408465529.db2.gz YRVBXYZAKRZSIJ-QLFBSQMISA-N 0 1 323.481 1.163 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177279757 408570098 /nfs/dbraw/zinc/57/00/98/408570098.db2.gz BTAIMJOECSAXKP-GVDBMIGSSA-N 0 1 323.481 1.430 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)N(CC)Cc1ccccc1)N(C)C ZINC000161767946 408636524 /nfs/dbraw/zinc/63/65/24/408636524.db2.gz QJUMRPLASZTJTA-INIZCTEOSA-N 0 1 319.449 1.882 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248892596 408656964 /nfs/dbraw/zinc/65/69/64/408656964.db2.gz SLDVUNJQQHDXAW-KFWWJZLASA-N 0 1 312.454 1.759 10 0 DDAEMN CCC[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)N(C)C ZINC000162083254 408668283 /nfs/dbraw/zinc/66/82/83/408668283.db2.gz IXUXLZLSOFKYDF-HUUCEWRRSA-N 0 1 303.406 1.638 10 0 DDAEMN CCOCCN1CCN([C@@H](C(N)=O)c2ccccc2)C[C@H]1CC ZINC000252321860 408793353 /nfs/dbraw/zinc/79/33/53/408793353.db2.gz ZEPVFJOCBYSCHS-IAGOWNOFSA-N 0 1 319.449 1.646 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2OC)C1 ZINC000194148533 408767434 /nfs/dbraw/zinc/76/74/34/408767434.db2.gz SWOJCTDRSJZJAF-GFCCVEGCSA-N 0 1 305.378 1.234 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000187445806 163019974 /nfs/dbraw/zinc/01/99/74/163019974.db2.gz NGCRARKPSREBSU-CABZTGNLSA-N 0 1 320.393 1.841 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)CCN1CCOC ZINC000192001721 163211698 /nfs/dbraw/zinc/21/16/98/163211698.db2.gz VKOBLSYYJDVNDC-QWHCGFSZSA-N 0 1 308.430 1.112 10 0 DDAEMN COc1ccc(OC)c(CC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195080980 163306037 /nfs/dbraw/zinc/30/60/37/163306037.db2.gz QNXDLLKQOYUYFZ-OAHLLOKOSA-N 0 1 318.417 1.943 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000262374281 163817118 /nfs/dbraw/zinc/81/71/18/163817118.db2.gz WZOFWICHCVYXJW-GFCCVEGCSA-N 0 1 301.350 1.261 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2F)N(C)C1 ZINC000343298905 410328279 /nfs/dbraw/zinc/32/82/79/410328279.db2.gz AOEFKHUTZSKXPT-JSGCOSHPSA-N 0 1 310.369 1.382 10 0 DDAEMN CCc1cc(NC[C@@H](c2cnn(C)c2)N(C)C)n2ncnc2n1 ZINC000301268054 410686504 /nfs/dbraw/zinc/68/65/04/410686504.db2.gz FYVBELQTRBVJRU-ZDUSSCGKSA-N 0 1 314.397 1.135 10 0 DDAEMN CC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC[NH2+]CC1 ZINC000129253697 196033018 /nfs/dbraw/zinc/03/30/18/196033018.db2.gz ACTZSXMZYQJFIA-UHFFFAOYSA-N 0 1 322.352 1.772 10 0 DDAEMN O=C(c1occc1Br)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000573848892 422025947 /nfs/dbraw/zinc/02/59/47/422025947.db2.gz KNIIVYYNHPNDDN-NXEZZACHSA-N 0 1 315.167 1.245 10 0 DDAEMN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583617662 422201771 /nfs/dbraw/zinc/20/17/71/422201771.db2.gz AYRKODRGNATWPH-MRXNPFEDSA-N 0 1 311.345 1.410 10 0 DDAEMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1C ZINC000629265973 422567790 /nfs/dbraw/zinc/56/77/90/422567790.db2.gz PZEOUGCPBDQJKP-SMDDNHRTSA-N 0 1 303.366 1.647 10 0 DDAEMN C[C@@H]1C[N@@H+]([C@H]2CCCCN(CC(=O)[O-])C2=O)C[C@H](C)S1 ZINC000643872538 423388354 /nfs/dbraw/zinc/38/83/54/423388354.db2.gz CHWDQEKMGVXXLM-TUAOUCFPSA-N 0 1 300.424 1.278 10 0 DDAEMN C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000309767131 271012769 /nfs/dbraw/zinc/01/27/69/271012769.db2.gz JVCFKZMSQWYSBW-FVQBIDKESA-N 0 1 307.390 1.749 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112066335 276153239 /nfs/dbraw/zinc/15/32/39/276153239.db2.gz HGIRMQAVCQUGRB-JKSUJKDBSA-N 0 1 320.437 1.293 10 0 DDAEMN CCc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000105933589 281051396 /nfs/dbraw/zinc/05/13/96/281051396.db2.gz JESAPVFTRZULSA-CJNGLKHVSA-N 0 1 305.422 1.496 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000118858852 281086595 /nfs/dbraw/zinc/08/65/95/281086595.db2.gz UHABTLHZQUVLEO-OAHLLOKOSA-N 0 1 314.433 1.827 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000123243079 281168088 /nfs/dbraw/zinc/16/80/88/281168088.db2.gz OEUOBTKSYMEKIE-QGZVFWFLSA-N 0 1 311.470 1.168 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000180828223 288311210 /nfs/dbraw/zinc/31/12/10/288311210.db2.gz CYSFDBJAXDGDID-UONOGXRCSA-N 0 1 301.394 1.081 10 0 DDAEMN CC[C@](C)(NC[C@H](O)CN1CCCC1=O)c1nc(C)cs1 ZINC000126744328 281251125 /nfs/dbraw/zinc/25/11/25/281251125.db2.gz BAOKMKUIEGOWQX-WFASDCNBSA-N 0 1 311.451 1.650 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132666399 281462330 /nfs/dbraw/zinc/46/23/30/281462330.db2.gz SVOHHNRYHMWFST-ARFHVFGLSA-N 0 1 317.433 1.320 10 0 DDAEMN Cc1cnn(CCC(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)c1 ZINC000328761743 534739843 /nfs/dbraw/zinc/73/98/43/534739843.db2.gz YGIHBWPJRNPWEC-CYBMUJFWSA-N 0 1 302.382 1.762 10 0 DDAEMN CC[C@H]1CN(c2ncnc(Cl)c2NC)CCN1C[C@H](C)O ZINC000302226265 529302944 /nfs/dbraw/zinc/30/29/44/529302944.db2.gz SPBNHQHWSNXAIO-QWRGUYRKSA-N 0 1 313.833 1.453 10 0 DDAEMN CCCCOC(=O)[C@@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000119170278 696678052 /nfs/dbraw/zinc/67/80/52/696678052.db2.gz QIULIEMHAQWZBV-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN CC[C@@H](NCC(=O)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181555093 697462327 /nfs/dbraw/zinc/46/23/27/697462327.db2.gz GIBUWYQUXIIAEP-IUODEOHRSA-N 0 1 321.377 1.883 10 0 DDAEMN COCC1=CCN(Cn2cnc3c2ncnc3NC(C)C)CC1 ZINC000185032251 697513005 /nfs/dbraw/zinc/51/30/05/697513005.db2.gz GAOOGPDJRSWNOF-UHFFFAOYSA-N 0 1 316.409 1.883 10 0 DDAEMN O=C(Cc1[nH]nc2c1CCCC2)N1CCCC[C@H]1c1nnc[nH]1 ZINC000188438751 697559777 /nfs/dbraw/zinc/55/97/77/697559777.db2.gz RBDHFMNFXQARRQ-AWEZNQCLSA-N 0 1 314.393 1.703 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000248901858 698384014 /nfs/dbraw/zinc/38/40/14/698384014.db2.gz VRSMCHSEMTXUIE-HUUCEWRRSA-N 0 1 310.438 1.515 10 0 DDAEMN CCOCCN1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000248901858 698384028 /nfs/dbraw/zinc/38/40/28/698384028.db2.gz VRSMCHSEMTXUIE-HUUCEWRRSA-N 0 1 310.438 1.515 10 0 DDAEMN COCCCN(C)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000254976151 698409725 /nfs/dbraw/zinc/40/97/25/698409725.db2.gz WGWILCQDKWQCEZ-ZROIWOOFSA-N 0 1 312.435 1.545 10 0 DDAEMN CCOC(=O)C[C@H](NC(=O)[C@H](N)COC)c1ccccc1C ZINC000262220406 698459724 /nfs/dbraw/zinc/45/97/24/698459724.db2.gz FRPCNLRYWGFEDW-KGLIPLIRSA-N 0 1 308.378 1.079 10 0 DDAEMN C[C@H](C(=O)[O-])[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000263105208 698491378 /nfs/dbraw/zinc/49/13/78/698491378.db2.gz KNBONBDJANDPRY-SNVBAGLBSA-N 0 1 320.345 1.681 10 0 DDAEMN CC[C@H]1CCC[C@@H]1NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263300369 698499231 /nfs/dbraw/zinc/49/92/31/698499231.db2.gz WTCVMNWVAMJHES-ABXWRUBCSA-N 0 1 311.426 1.802 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nccc(C(F)(F)F)n2)C1 ZINC000263569484 698514456 /nfs/dbraw/zinc/51/44/56/698514456.db2.gz ZJZSJFOOQGLMBC-UHFFFAOYSA-N 0 1 318.299 1.845 10 0 DDAEMN O=C(c1coc(Br)c1)N1CCC[C@H]1c1nn[n-]n1 ZINC000720648453 699307333 /nfs/dbraw/zinc/30/73/33/699307333.db2.gz OITJZCGXVHLEPR-ZETCQYMHSA-N 0 1 312.127 1.533 10 0 DDAEMN O=C(c1coc(Br)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720648453 699307336 /nfs/dbraw/zinc/30/73/36/699307336.db2.gz OITJZCGXVHLEPR-ZETCQYMHSA-N 0 1 312.127 1.533 10 0 DDAEMN CC(C)n1cncc1CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886088623 708696040 /nfs/dbraw/zinc/69/60/40/708696040.db2.gz KYXGZMGYEOEIFZ-MRXNPFEDSA-N 0 1 318.425 1.162 10 0 DDAEMN Cc1noc(C[C@@]2(O)CCCN(Cc3cccc(C)n3)C2)n1 ZINC000886091682 708696311 /nfs/dbraw/zinc/69/63/11/708696311.db2.gz IVPAITGAWUOBQA-INIZCTEOSA-N 0 1 302.378 1.651 10 0 DDAEMN O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@@H]1c1nn[n-]n1 ZINC000900389009 709568806 /nfs/dbraw/zinc/56/88/06/709568806.db2.gz AVXLQWMQRNOSBS-CYBMUJFWSA-N 0 1 304.398 1.128 10 0 DDAEMN CCOCCCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248430608 282082484 /nfs/dbraw/zinc/08/24/84/282082484.db2.gz BBSDMNNXAOBRMD-GJZGRUSLSA-N 0 1 315.458 1.290 10 0 DDAEMN CC[C@H](CSC)NC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000248504908 282087995 /nfs/dbraw/zinc/08/79/95/282087995.db2.gz VSMGPVNJWYHIPH-MCIONIFRSA-N 0 1 317.499 1.615 10 0 DDAEMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2[nH]cnc2C)c1 ZINC000074673088 185007822 /nfs/dbraw/zinc/00/78/22/185007822.db2.gz YYKNXAUETUYQBT-UHFFFAOYSA-N 0 1 317.301 1.544 10 0 DDAEMN COc1ccc([C@H](C)N[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000081900774 192334893 /nfs/dbraw/zinc/33/48/93/192334893.db2.gz INWWBBDIGZIALZ-QWRGUYRKSA-N 0 1 301.408 1.788 10 0 DDAEMN COCc1cc([C@H](C)N[C@@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901885 192336862 /nfs/dbraw/zinc/33/68/62/192336862.db2.gz UTBASCZFGRKORN-RYUDHWBXSA-N 0 1 315.435 1.925 10 0 DDAEMN C[C@H](CS(C)(=O)=O)Nc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000081906318 192337987 /nfs/dbraw/zinc/33/79/87/192337987.db2.gz AIJRKSDRMZVUEJ-SECBINFHSA-N 0 1 312.391 1.504 10 0 DDAEMN CN[C@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944929 192346074 /nfs/dbraw/zinc/34/60/74/192346074.db2.gz OMZBAUSXXXAAKM-RISCZKNCSA-N 0 1 301.408 1.405 10 0 DDAEMN C[C@H]1CCN(C[C@H](O)COCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249569069 282174882 /nfs/dbraw/zinc/17/48/82/282174882.db2.gz NUNDMVJOSZYMRJ-CWRNSKLLSA-N 0 1 306.406 1.150 10 0 DDAEMN N[C@@H](c1sccc1Br)[C@H]1CN2CCN1CC2 ZINC000087570648 185228491 /nfs/dbraw/zinc/22/84/91/185228491.db2.gz AMHDPQZLIRNVRF-NXEZZACHSA-N 0 1 302.241 1.510 10 0 DDAEMN CCN(CC1CC1)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087900704 185236621 /nfs/dbraw/zinc/23/66/21/185236621.db2.gz HHTZRVXPTCSFAF-UHFFFAOYSA-N 0 1 314.411 1.053 10 0 DDAEMN COc1ccc([C@H](C)NCC(=O)Nc2nncs2)cc1OC ZINC000180875304 539236500 /nfs/dbraw/zinc/23/65/00/539236500.db2.gz MAWJBFQZJUZQRY-VIFPVBQESA-N 0 1 322.390 1.845 10 0 DDAEMN Cc1ccc2cccc(NS(=O)(=O)[C@H](C)C(N)=S)c2n1 ZINC000088489562 185253821 /nfs/dbraw/zinc/25/38/21/185253821.db2.gz DVCUYCFPUUIWHU-SECBINFHSA-N 0 1 309.416 1.960 10 0 DDAEMN C[C@H](N[C@H]1CC(=O)N(C)C1=O)c1ccc(Br)s1 ZINC000088774668 185265486 /nfs/dbraw/zinc/26/54/86/185265486.db2.gz OYRZMHLUBBZPKL-BQBZGAKWSA-N 0 1 317.208 1.919 10 0 DDAEMN CCN(c1ccccc1C)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088875464 185267898 /nfs/dbraw/zinc/26/78/98/185267898.db2.gz RXHWRXHWSVWVHT-UHFFFAOYSA-N 0 1 309.391 1.734 10 0 DDAEMN N[C@@H](CS(=O)(=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000081988796 192350800 /nfs/dbraw/zinc/35/08/00/192350800.db2.gz HIUCGUQLPLIBKD-ZDUSSCGKSA-N 0 1 311.403 1.815 10 0 DDAEMN CCC[N@@H+](CCCOCC(F)(F)F)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090530177 185300730 /nfs/dbraw/zinc/30/07/30/185300730.db2.gz DFPNIFKWPYNFGT-QWRGUYRKSA-N 0 1 313.316 1.767 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000255893556 282284246 /nfs/dbraw/zinc/28/42/46/282284246.db2.gz HCAMNXNMVCVZPM-NQHOJNORSA-N 0 1 323.824 1.663 10 0 DDAEMN Brc1ccc(-n2cncc2[C@@H]2CNCCO2)nc1 ZINC000097014078 185397229 /nfs/dbraw/zinc/39/72/29/185397229.db2.gz YMKCOQVHSANZQI-NSHDSACASA-N 0 1 309.167 1.691 10 0 DDAEMN O=C(c1c[nH]nc1[C@@H]1CCCCN1)N1CCc2nccnc2C1 ZINC000685941640 539565431 /nfs/dbraw/zinc/56/54/31/539565431.db2.gz FKDBVDADJXPKBC-ZDUSSCGKSA-N 0 1 312.377 1.213 10 0 DDAEMN CN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(F)c1CN ZINC000070394626 190884750 /nfs/dbraw/zinc/88/47/50/190884750.db2.gz VSXZKCOXVSMKMH-JTQLQIEISA-N 0 1 302.371 1.084 10 0 DDAEMN CCN[C@@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035801 192396957 /nfs/dbraw/zinc/39/69/57/192396957.db2.gz DSMFIHBNOUSVDU-LHSJRXKWSA-N 0 1 315.435 1.750 10 0 DDAEMN Cc1cc(C)n(C[C@H](C)Nc2nc(C)nc3c2CCNC3)n1 ZINC000072148760 191054007 /nfs/dbraw/zinc/05/40/07/191054007.db2.gz JQPFEFQOIJGIBA-NSHDSACASA-N 0 1 300.410 1.745 10 0 DDAEMN CCN(CC(=O)N1CCN(Cc2cnc(C)s2)CC1)C1CC1 ZINC000152438761 186073428 /nfs/dbraw/zinc/07/34/28/186073428.db2.gz PMFXYHRBBJGGRL-UHFFFAOYSA-N 0 1 322.478 1.580 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NCc1ccccc1F ZINC000172802817 198151057 /nfs/dbraw/zinc/15/10/57/198151057.db2.gz NFDWUHNZADQRAX-OAHLLOKOSA-N 0 1 305.397 1.612 10 0 DDAEMN COc1cccc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000173235781 198199066 /nfs/dbraw/zinc/19/90/66/198199066.db2.gz FZHUJCIPOTUOQM-QWHCGFSZSA-N 0 1 307.394 1.614 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccc(F)c3F)CCO2)n[nH]1 ZINC000173555204 198226130 /nfs/dbraw/zinc/22/61/30/198226130.db2.gz NHVBHQAADBVRTN-LLVKDONJSA-N 0 1 322.315 1.859 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc(C)c1F ZINC000173996600 198278699 /nfs/dbraw/zinc/27/86/99/198278699.db2.gz BFNFUWKNTJISEH-LBPRGKRZSA-N 0 1 300.399 1.767 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(C)n2)CCN1CCOC ZINC000117482696 353994525 /nfs/dbraw/zinc/99/45/25/353994525.db2.gz GTSAPXRBZSWBSQ-INIZCTEOSA-N 0 1 320.437 1.642 10 0 DDAEMN COCCN1CCN(Cc2ccc(C(=O)OC)cc2F)C[C@@H]1C ZINC000135420161 354115346 /nfs/dbraw/zinc/11/53/46/354115346.db2.gz HAIPLZAXRWSLBN-ZDUSSCGKSA-N 0 1 324.396 1.765 10 0 DDAEMN CC(=O)NNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000142034377 354143404 /nfs/dbraw/zinc/14/34/04/354143404.db2.gz MKKQZYCNTBOGTL-UHFFFAOYSA-N 0 1 323.396 1.875 10 0 DDAEMN CC[C@@H](NS(=O)(=O)c1ccnc(NN)c1)c1nccs1 ZINC000080314521 192023438 /nfs/dbraw/zinc/02/34/38/192023438.db2.gz IVWMQWOATWXOBH-SECBINFHSA-N 0 1 313.408 1.253 10 0 DDAEMN CCN(CC(=O)NC(C)C)C[C@@H](C(N)=S)c1ccccc1 ZINC000080797240 192191809 /nfs/dbraw/zinc/19/18/09/192191809.db2.gz OTWTVAVNXDIOAP-CQSZACIVSA-N 0 1 307.463 1.903 10 0 DDAEMN CN(C)C(=O)Nc1ccc(C(=O)N2CCNCC2)c(Cl)c1 ZINC000237000955 202117500 /nfs/dbraw/zinc/11/75/00/202117500.db2.gz LWEHBTYZFDMLLG-UHFFFAOYSA-N 0 1 310.785 1.479 10 0 DDAEMN NC(=O)[C@H](c1ccccc1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188059377 283345634 /nfs/dbraw/zinc/34/56/34/283345634.db2.gz PPAMMEAVJCOLTB-PMPSAXMXSA-N 0 1 316.426 1.982 10 0 DDAEMN Cc1csc(CCNS(=O)(=O)c2ccsc2CN)n1 ZINC000089035396 192710583 /nfs/dbraw/zinc/71/05/83/192710583.db2.gz GQXNKXNUQMWPGQ-UHFFFAOYSA-N 0 1 317.461 1.493 10 0 DDAEMN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3coc(CN)c3)CCO2)n1 ZINC000188190794 200206761 /nfs/dbraw/zinc/20/67/61/200206761.db2.gz ABCIWKUUQVBRLU-HNNXBMFYSA-N 0 1 318.377 1.093 10 0 DDAEMN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193462140 201054876 /nfs/dbraw/zinc/05/48/76/201054876.db2.gz OGMLYQJVHJHAEW-GZMMTYOYSA-N 0 1 306.790 1.898 10 0 DDAEMN Cc1ccccc1[C@@H](NCCS(N)(=O)=O)c1ccccc1 ZINC000093248794 193221271 /nfs/dbraw/zinc/22/12/71/193221271.db2.gz LVWSKLUOCMKRNQ-INIZCTEOSA-N 0 1 304.415 1.963 10 0 DDAEMN COc1ccc2c(c1)[C@@H](NCC(C)(C)S(C)(=O)=O)CCO2 ZINC000093522746 193262888 /nfs/dbraw/zinc/26/28/88/193262888.db2.gz PNKLUXGPYSSIJK-ZDUSSCGKSA-N 0 1 313.419 1.932 10 0 DDAEMN COC(=O)[C@]1(NC2CC2)CCC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC000093778834 193305648 /nfs/dbraw/zinc/30/56/48/193305648.db2.gz HIJXWLMGOZFBFA-RISCZKNCSA-N 0 1 310.423 1.812 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)ccc1F ZINC000094457209 193371217 /nfs/dbraw/zinc/37/12/17/193371217.db2.gz VWYGGKFWCCNPIL-CMPLNLGQSA-N 0 1 313.398 1.265 10 0 DDAEMN CCN[C@@H](c1cc(Cl)ccc1OC)[C@H]1CN2CCN1CC2 ZINC000094510026 193375689 /nfs/dbraw/zinc/37/56/89/193375689.db2.gz VYGRQQGSWMZQCQ-ZBFHGGJFSA-N 0 1 309.841 1.999 10 0 DDAEMN N[C@H](c1ccccc1OC(F)(F)F)[C@@H]1CN2CCN1CC2 ZINC000094508413 193376064 /nfs/dbraw/zinc/37/60/64/193376064.db2.gz CIWGMFVTVYUSHZ-WCQYABFASA-N 0 1 301.312 1.585 10 0 DDAEMN CCCN1CCN(CC(=O)Nc2cc(Cl)ccc2N)CC1 ZINC000020550886 182230094 /nfs/dbraw/zinc/23/00/94/182230094.db2.gz VJEASZMATIXWDJ-UHFFFAOYSA-N 0 1 310.829 1.888 10 0 DDAEMN [NH3+]Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000021013943 182260733 /nfs/dbraw/zinc/26/07/33/182260733.db2.gz YTGVIKCEFROQCC-UHFFFAOYSA-N 0 1 306.343 1.675 10 0 DDAEMN CN(Cc1ccsc1)C(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC000040575313 183104609 /nfs/dbraw/zinc/10/46/09/183104609.db2.gz RTEGXFFHXZBJQG-UHFFFAOYSA-N 0 1 311.407 1.392 10 0 DDAEMN CCN(CC)[C@@H](CNS(C)(=O)=O)c1ccc(OC)cc1 ZINC000040614937 183108651 /nfs/dbraw/zinc/10/86/51/183108651.db2.gz JKYFQJQOFTZQRA-AWEZNQCLSA-N 0 1 300.424 1.627 10 0 DDAEMN CN(Cc1csc(Br)c1)C(=O)N1CCNCC1 ZINC000042361885 183258410 /nfs/dbraw/zinc/25/84/10/183258410.db2.gz TVEUWKACTHNXBG-UHFFFAOYSA-N 0 1 318.240 1.968 10 0 DDAEMN CCN1CCC(N(C)c2ccc(S(C)(=O)=O)cc2N)CC1 ZINC000042614900 183291005 /nfs/dbraw/zinc/29/10/05/183291005.db2.gz JGBQYZJWMYNKEL-UHFFFAOYSA-N 0 1 311.451 1.593 10 0 DDAEMN O=C(N[C@H](c1cccs1)c1ccccc1)[C@@H]1CNCCO1 ZINC000043708921 183382647 /nfs/dbraw/zinc/38/26/47/183382647.db2.gz IVUNGSOURMBFJS-ZFWWWQNUSA-N 0 1 302.399 1.942 10 0 DDAEMN COCCN1CCN(Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000105834303 194141734 /nfs/dbraw/zinc/14/17/34/194141734.db2.gz QRYNPUHBXMQNEU-AWEZNQCLSA-N 0 1 305.422 1.798 10 0 DDAEMN CC[C@H]1CN([C@@H](C)C(=O)NCCC(C)C)CCN1CCOC ZINC000105836730 194143271 /nfs/dbraw/zinc/14/32/71/194143271.db2.gz NEMIDDYSMVUDKM-HOTGVXAUSA-N 0 1 313.486 1.580 10 0 DDAEMN CN(C(=O)CN1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000105883042 194155422 /nfs/dbraw/zinc/15/54/22/194155422.db2.gz NYOBPSWZQZINKB-OAHLLOKOSA-N 0 1 313.405 1.653 10 0 DDAEMN CCOc1cc(C)nc(N2CCN(CCCCCO)CC2)n1 ZINC000105917317 194167706 /nfs/dbraw/zinc/16/77/06/194167706.db2.gz AQCFQKJMJLBYHZ-UHFFFAOYSA-N 0 1 308.426 1.468 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CCc2ccncc2)CC1 ZINC000105916667 194168830 /nfs/dbraw/zinc/16/88/30/194168830.db2.gz HZSBASNEHPRLRX-UHFFFAOYSA-N 0 1 313.449 1.792 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)N(C)CCN(C)C)cc1Cl ZINC000111130712 194393300 /nfs/dbraw/zinc/39/33/00/194393300.db2.gz FBKSYQFIYMBZKY-UHFFFAOYSA-N 0 1 305.831 1.413 10 0 DDAEMN CN(CCNS(=O)(=O)c1ccc(Cl)cc1N)C1CC1 ZINC000061992551 184200612 /nfs/dbraw/zinc/20/06/12/184200612.db2.gz QULCVBLHHFYEKD-UHFFFAOYSA-N 0 1 303.815 1.295 10 0 DDAEMN COCCCN(C)[C@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000062031580 184202194 /nfs/dbraw/zinc/20/21/94/184202194.db2.gz LKQOEFWJVPYYFY-LLVKDONJSA-N 0 1 309.435 1.616 10 0 DDAEMN C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113250834 194571808 /nfs/dbraw/zinc/57/18/08/194571808.db2.gz LJQVKTGBXBZTSM-SECBINFHSA-N 0 1 318.420 1.209 10 0 DDAEMN C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113250834 194571810 /nfs/dbraw/zinc/57/18/10/194571810.db2.gz LJQVKTGBXBZTSM-SECBINFHSA-N 0 1 318.420 1.209 10 0 DDAEMN CCC[C@H](C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1)N(C)C ZINC000157758220 197213169 /nfs/dbraw/zinc/21/31/69/197213169.db2.gz CFNKAUDQGHERMK-CYBMUJFWSA-N 0 1 324.425 1.850 10 0 DDAEMN C[NH+](C)C[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)CCO1 ZINC000155309329 197042557 /nfs/dbraw/zinc/04/25/57/197042557.db2.gz DGOKTUKKPDLEAP-AWEZNQCLSA-N 0 1 318.373 1.261 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1CC ZINC000155238738 197035765 /nfs/dbraw/zinc/03/57/65/197035765.db2.gz SMWBBFDTZKVGME-HNNXBMFYSA-N 0 1 308.426 1.220 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cccc(O)c2)CCN1CCOC ZINC000153748006 196905893 /nfs/dbraw/zinc/90/58/93/196905893.db2.gz REPPQSDRDDVCAF-KXPUMZMLSA-N 0 1 318.417 1.975 10 0 DDAEMN Cn1cc(CN2CC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cn1 ZINC000248164484 257107200 /nfs/dbraw/zinc/10/72/00/257107200.db2.gz ZALRXXUAVCXYRK-NVXWUHKLSA-N 0 1 314.389 1.628 10 0 DDAEMN COCCN1CC[C@@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000247894668 257115483 /nfs/dbraw/zinc/11/54/83/257115483.db2.gz UMTIBVKARGHIRL-SNPRPXQTSA-N 0 1 305.378 1.146 10 0 DDAEMN Nc1nc(S(=O)(=O)C(c2ccccc2)c2ccccc2)n[nH]1 ZINC000008015747 406774065 /nfs/dbraw/zinc/77/40/65/406774065.db2.gz DTYJKRUVKCVKDA-UHFFFAOYSA-N 0 1 314.370 1.950 10 0 DDAEMN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035018987 406966256 /nfs/dbraw/zinc/96/62/56/406966256.db2.gz YJKXBNYVSIKXDL-VXGBXAGGSA-N 0 1 312.435 1.655 10 0 DDAEMN O=C1N(c2ccccn2)C[C@H]2CN(C3CCOCC3)CCN12 ZINC000085436158 407101265 /nfs/dbraw/zinc/10/12/65/407101265.db2.gz LYZZCKSFFCLGPT-CQSZACIVSA-N 0 1 302.378 1.187 10 0 DDAEMN O=S(=O)([N-]C[C@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073354 407205960 /nfs/dbraw/zinc/20/59/60/407205960.db2.gz BUPVFXUVJKVEAO-JTQLQIEISA-N 0 1 311.432 1.574 10 0 DDAEMN CCCNC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106909900 407366110 /nfs/dbraw/zinc/36/61/10/407366110.db2.gz STJWMLXBNYVPGQ-HNNXBMFYSA-N 0 1 305.422 1.192 10 0 DDAEMN CCOc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000112548316 407431776 /nfs/dbraw/zinc/43/17/76/407431776.db2.gz LUAQUSUXCUTMDI-CZUORRHYSA-N 0 1 321.421 1.333 10 0 DDAEMN CCN(CC)[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)c1ccccc1 ZINC000178866712 407633551 /nfs/dbraw/zinc/63/35/51/407633551.db2.gz QUYGXMHMFWTWSN-HZPDHXFCSA-N 0 1 319.449 1.956 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3nc(C)sc3C)CCO2)n[nH]1 ZINC000178770409 407592279 /nfs/dbraw/zinc/59/22/79/407592279.db2.gz WOCBYOQJLXGXJR-SNVBAGLBSA-N 0 1 307.379 1.400 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000262066960 407729869 /nfs/dbraw/zinc/72/98/69/407729869.db2.gz JDOALBZDKDQEIN-SECBINFHSA-N 0 1 322.283 1.549 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000171771033 407764676 /nfs/dbraw/zinc/76/46/76/407764676.db2.gz GENYFSXFPWZCDF-LLVKDONJSA-N 0 1 314.382 1.303 10 0 DDAEMN CC[S@@](=O)c1ccccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116786288 407776287 /nfs/dbraw/zinc/77/62/87/407776287.db2.gz BLJLCBGCYQRPMP-DMZKTXOQSA-N 0 1 324.446 1.217 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 ZINC000262261702 407778965 /nfs/dbraw/zinc/77/89/65/407778965.db2.gz JKYYFHHDOPIUGK-QGZVFWFLSA-N 0 1 313.401 1.893 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000262266732 407779039 /nfs/dbraw/zinc/77/90/39/407779039.db2.gz JXWXRJVJVAEPFK-INIZCTEOSA-N 0 1 306.406 1.416 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCOC(C)C)C[C@H]1CC ZINC000186859211 407787028 /nfs/dbraw/zinc/78/70/28/407787028.db2.gz PPDLZRDUWIFNLB-OAHLLOKOSA-N 0 1 315.458 1.554 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000179886106 407839629 /nfs/dbraw/zinc/83/96/29/407839629.db2.gz GZPIWVMQQIOKEU-CYBMUJFWSA-N 0 1 312.435 1.798 10 0 DDAEMN CC[C@H]1CN(C(=O)/C=C/c2cccc(O)c2)CCN1CCOC ZINC000153748084 407895225 /nfs/dbraw/zinc/89/52/25/407895225.db2.gz REPPQSDRDDVCAF-WAVCKPEOSA-N 0 1 318.417 1.975 10 0 DDAEMN CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262925480 407972063 /nfs/dbraw/zinc/97/20/63/407972063.db2.gz HHFYEMGPSOSENH-OPRDCNLKSA-N 0 1 310.316 1.486 10 0 DDAEMN COCCOc1ccc(CN2CCC[C@H](NC(C)=O)C2)cc1 ZINC000153928783 407933870 /nfs/dbraw/zinc/93/38/70/407933870.db2.gz AICJBLQLJIJIQO-INIZCTEOSA-N 0 1 306.406 1.812 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCCSC)CCN1C[C@@H](C)O ZINC000181791661 408040703 /nfs/dbraw/zinc/04/07/03/408040703.db2.gz DWTYCELZDDFNRL-ZIAGYGMSSA-N 0 1 317.499 1.616 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H]2CC[C@H](C)C2)C1 ZINC000263343454 408111403 /nfs/dbraw/zinc/11/14/03/408111403.db2.gz FZVNRJZZUQGFPK-FEPKRQSRSA-N 0 1 311.426 1.659 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3cccc(O)c3)CCO2)n[nH]1 ZINC000175431860 408131630 /nfs/dbraw/zinc/13/16/30/408131630.db2.gz VWGHCTBBTSCJML-ZDUSSCGKSA-N 0 1 317.349 1.102 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccccc2F)C1 ZINC000263509747 408159327 /nfs/dbraw/zinc/15/93/27/408159327.db2.gz XFQSHXKIGAZHKM-UHFFFAOYSA-N 0 1 309.341 1.885 10 0 DDAEMN COC[C@H](C)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175658868 408181445 /nfs/dbraw/zinc/18/14/45/408181445.db2.gz QDZVPUOLWBVFBC-HNNXBMFYSA-N 0 1 312.454 1.668 10 0 DDAEMN CCc1csc([C@@H]2CCCN(CCN3C(=O)CNC3=O)C2)n1 ZINC000157037278 408285097 /nfs/dbraw/zinc/28/50/97/408285097.db2.gz QCQYQDVVLGUILA-LLVKDONJSA-N 0 1 322.434 1.437 10 0 DDAEMN COc1ccc(OC)c(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c1 ZINC000170240314 162185243 /nfs/dbraw/zinc/18/52/43/162185243.db2.gz LNUPSMAPNUQNTJ-SECBINFHSA-N 0 1 302.334 1.566 10 0 DDAEMN COc1ccc(OC)c(NC(=O)[C@@H]2CCc3nn[nH]c3C2)c1 ZINC000170240314 162185244 /nfs/dbraw/zinc/18/52/44/162185244.db2.gz LNUPSMAPNUQNTJ-SECBINFHSA-N 0 1 302.334 1.566 10 0 DDAEMN O=C(CCC1CCCC1)NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000170682295 162188187 /nfs/dbraw/zinc/18/81/87/162188187.db2.gz WFRSJLHLRDBYRD-INIZCTEOSA-N 0 1 321.465 1.770 10 0 DDAEMN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccn[nH]1 ZINC000176529480 408387759 /nfs/dbraw/zinc/38/77/59/408387759.db2.gz RUATZAORISSETC-CYBMUJFWSA-N 0 1 320.418 1.617 10 0 DDAEMN CCOCCN1CCN(Cc2ccoc2C(=O)OC)C[C@H]1C ZINC000246991162 408380934 /nfs/dbraw/zinc/38/09/34/408380934.db2.gz AYVNDHJNMLMCOK-CYBMUJFWSA-N 0 1 310.394 1.609 10 0 DDAEMN CCN(CC)[C@@H](C(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000191484105 408431214 /nfs/dbraw/zinc/43/12/14/408431214.db2.gz MXMYPKZPKTZACX-MRXNPFEDSA-N 0 1 303.406 1.416 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1C[C@H](O)COc1ccccc1F ZINC000248039431 408528703 /nfs/dbraw/zinc/52/87/03/408528703.db2.gz VKDIKGZDSWYPEN-GXTWGEPZSA-N 0 1 310.369 1.118 10 0 DDAEMN CC(C)n1cnnc1[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248388699 408555446 /nfs/dbraw/zinc/55/54/46/408555446.db2.gz FMZLBFKVGOVDPT-GHMZBOCLSA-N 0 1 306.332 1.962 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2nc[nH]n2)C12CCCC2 ZINC000177226437 408558031 /nfs/dbraw/zinc/55/80/31/408558031.db2.gz KMCSEQOTVSXAPL-CHWSQXEVSA-N 0 1 306.410 1.934 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3cc(C)ccn3)CCO2)n[nH]1 ZINC000184152003 408558765 /nfs/dbraw/zinc/55/87/65/408558765.db2.gz PDBHXHFWQQDUJU-LLVKDONJSA-N 0 1 302.338 1.422 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C)[nH]n1 ZINC000161512640 408609728 /nfs/dbraw/zinc/60/97/28/408609728.db2.gz ZERNJLGCLZEIJT-GUYCJALGSA-N 0 1 314.433 1.938 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccc(O)cc2)CCN1C[C@H](C)O ZINC000248909223 408659846 /nfs/dbraw/zinc/65/98/46/408659846.db2.gz ZUCDWJOVFBQJRB-GOEBONIOSA-N 0 1 320.433 1.628 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000177702450 408690012 /nfs/dbraw/zinc/69/00/12/408690012.db2.gz KDFASYMCFQDSSE-LLVKDONJSA-N 0 1 306.435 1.901 10 0 DDAEMN CC(C)N1CCC[C@H](N2CCC(Nc3cccnn3)CC2)C1=O ZINC000177708730 408690716 /nfs/dbraw/zinc/69/07/16/408690716.db2.gz MYEZUSSJHVMTFL-HNNXBMFYSA-N 0 1 317.437 1.752 10 0 DDAEMN Cc1ccc(-c2cc(C(=O)N3CCCNC(=O)[C@H]3C)n[nH]2)cc1 ZINC000188956203 163079039 /nfs/dbraw/zinc/07/90/39/163079039.db2.gz BGDBKCGXGYFHOI-GFCCVEGCSA-N 0 1 312.373 1.736 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)C[C@@H](C)N2CCCCC2=O)n[nH]1 ZINC000189518378 163103856 /nfs/dbraw/zinc/10/38/56/163103856.db2.gz CIBHGSPQGQODAK-WCQYABFASA-N 0 1 306.410 1.556 10 0 DDAEMN Cc1csc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000190105130 163129779 /nfs/dbraw/zinc/12/97/79/163129779.db2.gz QYVYASMBJUSMRI-QWRGUYRKSA-N 0 1 308.407 1.085 10 0 DDAEMN COC(=O)N[C@@H](CC(C)C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195045517 163304509 /nfs/dbraw/zinc/30/45/09/163304509.db2.gz QIFRLKVIVQQMCA-KGLIPLIRSA-N 0 1 311.426 1.454 10 0 DDAEMN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195045517 163304515 /nfs/dbraw/zinc/30/45/15/163304515.db2.gz QIFRLKVIVQQMCA-KGLIPLIRSA-N 0 1 311.426 1.454 10 0 DDAEMN O=C(CCc1cccc(F)c1F)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284891460 409367715 /nfs/dbraw/zinc/36/77/15/409367715.db2.gz TVJCBJWJUNIVTH-HNNXBMFYSA-N 0 1 322.315 1.136 10 0 DDAEMN CCc1nc([C@@H]2CN(c3ccc4nccnc4n3)CCO2)n[nH]1 ZINC000131557423 196179190 /nfs/dbraw/zinc/17/91/90/196179190.db2.gz FWKREFKXPKUTNH-NSHDSACASA-N 0 1 311.349 1.283 10 0 DDAEMN O[C@@H]1CN[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000131715486 418514172 /nfs/dbraw/zinc/51/41/72/418514172.db2.gz PIZIFYDJRYGNEJ-UWVGGRQHSA-N 0 1 310.151 1.894 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851988 423157132 /nfs/dbraw/zinc/15/71/32/423157132.db2.gz SCQGKQCZQOCEIS-IRXDYDNUSA-N 0 1 319.449 1.521 10 0 DDAEMN Cc1nc([C@@H]2CN(c3ccc(C(F)(F)F)nn3)CCO2)n[nH]1 ZINC000301972469 230013846 /nfs/dbraw/zinc/01/38/46/230013846.db2.gz UBFJWYUJXULKGI-QMMMGPOBSA-N 0 1 314.271 1.500 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000637928769 422481962 /nfs/dbraw/zinc/48/19/62/422481962.db2.gz RISGFEHTLYDHLE-QCEMKRCNSA-N 0 1 306.406 1.339 10 0 DDAEMN CCc1cc2c(ncnc2NCC(=O)N2CCNCC2)s1 ZINC000037716367 263253538 /nfs/dbraw/zinc/25/35/38/263253538.db2.gz LVHXOXPLGRDDKQ-UHFFFAOYSA-N 0 1 305.407 1.097 10 0 DDAEMN O=c1[nH]c2ccccc2cc1CN[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000657516498 424395547 /nfs/dbraw/zinc/39/55/47/424395547.db2.gz WSVUFLBNGFMCQD-ARFHVFGLSA-N 0 1 310.357 1.601 10 0 DDAEMN COC[C@@H](N)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000262023286 277567302 /nfs/dbraw/zinc/56/73/02/277567302.db2.gz DEBUDSRLXBQTNB-LLVKDONJSA-N 0 1 313.195 1.528 10 0 DDAEMN C[C@@H](C(=O)NC1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247214812 278205962 /nfs/dbraw/zinc/20/59/62/278205962.db2.gz VPCYWLAYSSAKPF-GOEBONIOSA-N 0 1 309.454 1.230 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(F)cc2O)C[C@H]1C ZINC000123846052 281178453 /nfs/dbraw/zinc/17/84/53/281178453.db2.gz ISENWZFHPKODBQ-GFCCVEGCSA-N 0 1 310.369 1.714 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2cncc(F)c2)C[C@H]1C ZINC000246596801 282000718 /nfs/dbraw/zinc/00/07/18/282000718.db2.gz BBUUFTSFXWOAJY-HNFMAKEJSA-N 0 1 307.369 1.147 10 0 DDAEMN Clc1cc(Br)cnc1NC[C@@H]1COCCN1 ZINC000236052220 484178531 /nfs/dbraw/zinc/17/85/31/484178531.db2.gz OBNDEJJGHYPCQZ-MRVPVSSYSA-N 0 1 306.591 1.898 10 0 DDAEMN Cc1cnn(CCC(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)c1 ZINC000328761745 534739949 /nfs/dbraw/zinc/73/99/49/534739949.db2.gz YGIHBWPJRNPWEC-ZDUSSCGKSA-N 0 1 302.382 1.762 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091573 697384040 /nfs/dbraw/zinc/38/40/40/697384040.db2.gz OTEVHZCQUCIGSP-BBRMVZONSA-N 0 1 314.376 1.387 10 0 DDAEMN COC(=O)[C@@H]1C[N@H+](Cc2nc(=O)c3sccc3[n-]2)C[C@@H]1C ZINC000227752927 697771449 /nfs/dbraw/zinc/77/14/49/697771449.db2.gz LRYFXMHBFWEJMW-DTWKUNHWSA-N 0 1 307.375 1.226 10 0 DDAEMN COC(=O)[C@@H]1C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C[C@@H]1C ZINC000227752927 697771453 /nfs/dbraw/zinc/77/14/53/697771453.db2.gz LRYFXMHBFWEJMW-DTWKUNHWSA-N 0 1 307.375 1.226 10 0 DDAEMN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000261592393 698428284 /nfs/dbraw/zinc/42/82/84/698428284.db2.gz VUNNMFZGMSTJPN-YFKPBYRVSA-N 0 1 303.236 1.941 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000262220326 698459909 /nfs/dbraw/zinc/45/99/09/698459909.db2.gz FQXLRNCNFUPSIR-KWQFWETISA-N 0 1 306.284 1.736 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000262273578 698462197 /nfs/dbraw/zinc/46/21/97/698462197.db2.gz KRRPNBMTDGAEQB-NEPJUHHUSA-N 0 1 313.195 1.526 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000262273581 698462289 /nfs/dbraw/zinc/46/22/89/698462289.db2.gz KRRPNBMTDGAEQB-RYUDHWBXSA-N 0 1 313.195 1.526 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2ccccc2F)C1 ZINC000262753779 698479404 /nfs/dbraw/zinc/47/94/04/698479404.db2.gz YJKPXJYMMCIDRH-UHFFFAOYSA-N 0 1 320.364 1.883 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnc3ccc(C)cn23)C1 ZINC000263476176 698508900 /nfs/dbraw/zinc/50/89/00/698508900.db2.gz FKFWUHIZDLBRTC-UHFFFAOYSA-N 0 1 316.405 1.670 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000309754623 698667371 /nfs/dbraw/zinc/66/73/71/698667371.db2.gz RGBHJRKAACIJFQ-KFWWJZLASA-N 0 1 318.373 1.009 10 0 DDAEMN O=C(c1nc(Cl)ccc1Cl)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000700309129 699221167 /nfs/dbraw/zinc/22/11/67/699221167.db2.gz XMGRRWHCZPKRTQ-UWVGGRQHSA-N 0 1 316.188 1.591 10 0 DDAEMN COc1c(CNC[C@H]2CCN2C(=O)OC(C)(C)C)c(C)nn1C ZINC000724922459 699328445 /nfs/dbraw/zinc/32/84/45/699328445.db2.gz BOMDJXPOEIQBJT-GFCCVEGCSA-N 0 1 324.425 1.836 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(C)n2)CCN1C[C@H](C)O ZINC000248457214 282085009 /nfs/dbraw/zinc/08/50/09/282085009.db2.gz ONEWSAQJXJWTPB-HOCLYGCPSA-N 0 1 320.437 1.377 10 0 DDAEMN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000079342080 185165897 /nfs/dbraw/zinc/16/58/97/185165897.db2.gz OITUCYZGCXGZMD-CHWSQXEVSA-N 0 1 318.483 1.423 10 0 DDAEMN CCN[C@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CCOC ZINC000081944451 192345852 /nfs/dbraw/zinc/34/58/52/192345852.db2.gz VWVLJQWGNKHWQB-DOMZBBRYSA-N 0 1 315.435 1.796 10 0 DDAEMN Cc1nnc(C(=O)NCc2cc(Br)cs2)[nH]1 ZINC000087449313 185225436 /nfs/dbraw/zinc/22/54/36/185225436.db2.gz UPEZKNKPQVWVGP-UHFFFAOYSA-N 0 1 301.169 1.867 10 0 DDAEMN Nc1cccc(Cl)c1S(=O)(=O)NCCc1cnc[nH]1 ZINC000087538097 185228109 /nfs/dbraw/zinc/22/81/09/185228109.db2.gz OUBWBDFBNKRKAC-UHFFFAOYSA-N 0 1 300.771 1.166 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc(F)cc1Cl ZINC000087545627 185228151 /nfs/dbraw/zinc/22/81/51/185228151.db2.gz VKAYTHWJBHYGRX-UHFFFAOYSA-N 0 1 303.746 1.723 10 0 DDAEMN CC(C)(CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)C(=O)[O-] ZINC000087591822 185228950 /nfs/dbraw/zinc/22/89/50/185228950.db2.gz IPTYDGIDFLUJBG-UHFFFAOYSA-N 0 1 306.288 1.613 10 0 DDAEMN CC(C)(CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1)C(=O)[O-] ZINC000087591822 185228951 /nfs/dbraw/zinc/22/89/51/185228951.db2.gz IPTYDGIDFLUJBG-UHFFFAOYSA-N 0 1 306.288 1.613 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2CC)o1 ZINC000088544353 185256725 /nfs/dbraw/zinc/25/67/25/185256725.db2.gz KRPYJCWVFXAUDA-NEPJUHHUSA-N 0 1 316.423 1.577 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000088659788 185261683 /nfs/dbraw/zinc/26/16/83/185261683.db2.gz LZMRFQOFFUGONL-LLVKDONJSA-N 0 1 312.753 1.023 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1ccsc1 ZINC000088882809 185268342 /nfs/dbraw/zinc/26/83/42/185268342.db2.gz AFXSEGZRYQQMCJ-UHFFFAOYSA-N 0 1 301.393 1.093 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000092621904 185329680 /nfs/dbraw/zinc/32/96/80/185329680.db2.gz AEIFFULZWBKFTF-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN COc1ccc2c(c1)[C@@H](N)[C@@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859305 185346877 /nfs/dbraw/zinc/34/68/77/185346877.db2.gz DBWGFOANEJOQTE-LSDHHAIUSA-N 0 1 311.403 1.214 10 0 DDAEMN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000037016256 190664627 /nfs/dbraw/zinc/66/46/27/190664627.db2.gz PUEGJFPXSRISDW-KCJUWKMLSA-N 0 1 320.361 1.995 10 0 DDAEMN Cn1c(CN)nnc1SCc1nc(N)c2ccccc2n1 ZINC000071373945 190962695 /nfs/dbraw/zinc/96/26/95/190962695.db2.gz NRBVZSLKKLEEPQ-UHFFFAOYSA-N 0 1 301.379 1.092 10 0 DDAEMN O=C([O-])C1(c2ccc(NCC[NH+]3CCOCC3)cc2)CCC1 ZINC000071701150 191009451 /nfs/dbraw/zinc/00/94/51/191009451.db2.gz MFGFNYQJFJYNBU-UHFFFAOYSA-N 0 1 304.390 1.937 10 0 DDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCCc1cn[nH]n1 ZINC000139495065 186022687 /nfs/dbraw/zinc/02/26/87/186022687.db2.gz QZZIGQZKMPCBHR-GFCCVEGCSA-N 0 1 317.397 1.323 10 0 DDAEMN O[C@@H]1COCC[C@@H]1NCc1cc(F)ccc1Br ZINC000623766555 366045695 /nfs/dbraw/zinc/04/56/95/366045695.db2.gz IGJPYJFXDIYSFB-NWDGAFQWSA-N 0 1 304.159 1.828 10 0 DDAEMN Cc1cc(O)c(-c2ccnc3nc(-c4cccnc4)nn32)c(=O)o1 ZINC000072451404 191169604 /nfs/dbraw/zinc/16/96/04/191169604.db2.gz GWOUFMQQQRPKIT-UHFFFAOYSA-N 0 1 321.296 1.821 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000172801291 198151034 /nfs/dbraw/zinc/15/10/34/198151034.db2.gz YXOUMKJGCPLNIG-OAHLLOKOSA-N 0 1 316.405 1.505 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cccc(Cl)n2)CCN1C[C@@H](C)O ZINC000174644893 198364468 /nfs/dbraw/zinc/36/44/68/198364468.db2.gz KSBVCKSGFUTLGG-VXGBXAGGSA-N 0 1 311.813 1.652 10 0 DDAEMN COC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000115751939 353987995 /nfs/dbraw/zinc/98/79/95/353987995.db2.gz DPIUZIHAKQRCII-IUODEOHRSA-N 0 1 318.373 1.934 10 0 DDAEMN Cc1nc2c(c(OCC(=O)[O-])n1)C[N@H+](Cc1ccccc1)CC2 ZINC000073696777 191343252 /nfs/dbraw/zinc/34/32/52/191343252.db2.gz YBAYCFBGDBNQCR-UHFFFAOYSA-N 0 1 313.357 1.807 10 0 DDAEMN Cc1nc2c(c(OCC(=O)[O-])n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000073696777 191343255 /nfs/dbraw/zinc/34/32/55/191343255.db2.gz YBAYCFBGDBNQCR-UHFFFAOYSA-N 0 1 313.357 1.807 10 0 DDAEMN CCOC(=O)CC1(N2CCCCC2)CCS(=O)(=O)CC1 ZINC000080706362 192183450 /nfs/dbraw/zinc/18/34/50/192183450.db2.gz BYBQTEFCGDINMT-UHFFFAOYSA-N 0 1 303.424 1.373 10 0 DDAEMN CC(C)N1CCO[C@@H](Cn2cc(Br)c(N)n2)C1 ZINC000080750322 192187458 /nfs/dbraw/zinc/18/74/58/192187458.db2.gz XPBQJPOMRKPLTE-SECBINFHSA-N 0 1 303.204 1.337 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)N2CCCCCC2)n1 ZINC000080868529 192196259 /nfs/dbraw/zinc/19/62/59/192196259.db2.gz IACKDINWPLDCSH-JTQLQIEISA-N 0 1 318.468 1.956 10 0 DDAEMN CC1(C)COCCN1S(=O)(=O)c1ccc(F)c(CN)c1F ZINC000088992314 192685236 /nfs/dbraw/zinc/68/52/36/192685236.db2.gz RQPDIZFDMFYWIN-UHFFFAOYSA-N 0 1 320.361 1.223 10 0 DDAEMN CCOC(=O)c1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000180235411 199134009 /nfs/dbraw/zinc/13/40/09/199134009.db2.gz HRKBAUJOBAEKBP-UKRRQHHQSA-N 0 1 322.405 1.609 10 0 DDAEMN CCOCCNC(=O)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180873541 199222155 /nfs/dbraw/zinc/22/21/55/199222155.db2.gz YGPPPKJFEZIAJX-LBPRGKRZSA-N 0 1 310.394 1.507 10 0 DDAEMN O=C1N(Cc2ccc(Br)cc2)C[C@H]2CNCCN12 ZINC000091751047 193102152 /nfs/dbraw/zinc/10/21/52/193102152.db2.gz XUNKFNWFPUKQRZ-GFCCVEGCSA-N 0 1 310.195 1.659 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C[C@@H]2CSc3ccccc32)CC1 ZINC000092289975 193185148 /nfs/dbraw/zinc/18/51/48/193185148.db2.gz QDEWIKTUNBFADC-CYBMUJFWSA-N 0 1 306.431 1.968 10 0 DDAEMN O=C([O-])CN1CCC[N@H+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092289975 193185149 /nfs/dbraw/zinc/18/51/49/193185149.db2.gz QDEWIKTUNBFADC-CYBMUJFWSA-N 0 1 306.431 1.968 10 0 DDAEMN O=C([O-])CN1CCC[N@@H+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092289975 193185151 /nfs/dbraw/zinc/18/51/51/193185151.db2.gz QDEWIKTUNBFADC-CYBMUJFWSA-N 0 1 306.431 1.968 10 0 DDAEMN C[C@H]([NH3+])Cc1nc([O-])c(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000093163878 193209648 /nfs/dbraw/zinc/20/96/48/193209648.db2.gz ASDJZYVRYGGKCO-ZETCQYMHSA-N 0 1 324.178 1.795 10 0 DDAEMN C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094441866 193369611 /nfs/dbraw/zinc/36/96/11/193369611.db2.gz KPVKSWQSNCTPDO-QJPTWQEYSA-N 0 1 313.423 1.125 10 0 DDAEMN N[C@H](c1cc(Br)ccc1F)[C@@H]1CN2CCN1CC2 ZINC000094508886 193375685 /nfs/dbraw/zinc/37/56/85/193375685.db2.gz AJHFPKIDKTURDL-QWHCGFSZSA-N 0 1 314.202 1.588 10 0 DDAEMN CN1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NN)C1 ZINC000094596576 193382351 /nfs/dbraw/zinc/38/23/51/193382351.db2.gz WLHNCDGAOGOADR-VIFPVBQESA-N 0 1 302.300 1.425 10 0 DDAEMN CCOc1ccc(S(=O)(=O)[C@H](CN)c2cccnc2)cc1 ZINC000011847662 181710099 /nfs/dbraw/zinc/71/00/99/181710099.db2.gz ZUDJWTFKDXPIGK-OAHLLOKOSA-N 0 1 306.387 1.954 10 0 DDAEMN CCOC(=O)Nc1cc(C)nn1-c1nc2c(cnn2C)c(=O)[nH]1 ZINC000038507437 183000903 /nfs/dbraw/zinc/00/09/03/183000903.db2.gz OKODJZIQTBYEJB-UHFFFAOYSA-N 0 1 317.309 1.131 10 0 DDAEMN C[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)CN1C1CC1 ZINC000333033922 248912174 /nfs/dbraw/zinc/91/21/74/248912174.db2.gz IBDMNQLSVNEBJM-NTZNESFSSA-N 0 1 305.378 1.881 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2c(C)ccc(N)c2C)C1 ZINC000040501921 183083445 /nfs/dbraw/zinc/08/34/45/183083445.db2.gz VOQCVJPBCGRCIP-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(C)c(C)c(N)c2)C1 ZINC000040501840 183083602 /nfs/dbraw/zinc/08/36/02/183083602.db2.gz HGTKEJDRJMBROP-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)cc2N)C1 ZINC000040501848 183083617 /nfs/dbraw/zinc/08/36/17/183083617.db2.gz OIBYTCINOMOHQV-LLVKDONJSA-N 0 1 313.423 1.040 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1ccc(Cl)nc1)N1CCNCC1 ZINC000040508444 183085905 /nfs/dbraw/zinc/08/59/05/183085905.db2.gz YJDCTYHJRRUOEN-ZDUSSCGKSA-N 0 1 308.813 1.131 10 0 DDAEMN CC(C)[N@@H+](C)CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000041682531 183216930 /nfs/dbraw/zinc/21/69/30/183216930.db2.gz ZBZNZVYNQFVFRD-GFCCVEGCSA-N 0 1 301.431 1.905 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(C(C)(C)C)no2)CCN1CCOC ZINC000105836820 194142976 /nfs/dbraw/zinc/14/29/76/194142976.db2.gz LNRZAZIKVYCGGH-CYBMUJFWSA-N 0 1 310.442 1.910 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(=O)OC)co2)CCN1CCOC ZINC000105837399 194144795 /nfs/dbraw/zinc/14/47/95/194144795.db2.gz RXFAKLRZJAYDBH-CQSZACIVSA-N 0 1 310.394 1.609 10 0 DDAEMN CCn1cc(CN2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000105870210 194150916 /nfs/dbraw/zinc/15/09/16/194150916.db2.gz AASMBIHOVSWENK-UHFFFAOYSA-N 0 1 302.426 1.344 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885186 194157405 /nfs/dbraw/zinc/15/74/05/194157405.db2.gz ZASMSWAVXAFDQL-BBRMVZONSA-N 0 1 321.469 1.912 10 0 DDAEMN COCCN1CCN(Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000106109553 194187305 /nfs/dbraw/zinc/18/73/05/194187305.db2.gz NDOBASSZCWSVLD-CQSZACIVSA-N 0 1 306.406 1.626 10 0 DDAEMN CCN(CCC(=O)OC)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000112875360 284865788 /nfs/dbraw/zinc/86/57/88/284865788.db2.gz HQPSMQLCQUCTKG-OAHLLOKOSA-N 0 1 306.406 1.571 10 0 DDAEMN CCNC(=O)[C@@H](C)NCc1ccc(O)c(Br)c1 ZINC000057988203 184064977 /nfs/dbraw/zinc/06/49/77/184064977.db2.gz WUCLFHPPEVNIJC-MRVPVSSYSA-N 0 1 301.184 1.769 10 0 DDAEMN CC[N@@H+](CC(=O)N1CCc2sccc2C1)[C@H](C)CC(=O)[O-] ZINC000061182668 184165313 /nfs/dbraw/zinc/16/53/13/184165313.db2.gz BTEKAXVWMBKORI-LLVKDONJSA-N 0 1 310.419 1.818 10 0 DDAEMN C[C@@H]1CCCC[N@H+]1CCCn1c(=O)[nH]nc1SCC(=O)[O-] ZINC000061591720 184175775 /nfs/dbraw/zinc/17/57/75/184175775.db2.gz SHURKQVDLBEYNV-SNVBAGLBSA-N 0 1 314.411 1.013 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1N ZINC000061642642 184180548 /nfs/dbraw/zinc/18/05/48/184180548.db2.gz WPHCRSTUBAYTCQ-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1N ZINC000061642482 184180586 /nfs/dbraw/zinc/18/05/86/184180586.db2.gz SIRNWAYAWNQGQY-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN CN(C)C(=O)CC[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000062702708 184248265 /nfs/dbraw/zinc/24/82/65/184248265.db2.gz LTRUGNHDZLRZMW-UHFFFAOYSA-N 0 1 301.184 1.723 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2c(N)cccc2Cl)C1 ZINC000062965433 184262846 /nfs/dbraw/zinc/26/28/46/184262846.db2.gz OHTMKQIUXZBNDR-SECBINFHSA-N 0 1 303.815 1.247 10 0 DDAEMN COCCN1CCN([C@@H](C(=O)OC)c2ccccc2C)C[C@H]1C ZINC000162937850 285050660 /nfs/dbraw/zinc/05/06/60/285050660.db2.gz REBHYLOSOPKTGO-NVXWUHKLSA-N 0 1 320.433 1.862 10 0 DDAEMN COCCN1CCN([C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000117880012 285051539 /nfs/dbraw/zinc/05/15/39/285051539.db2.gz VMMISWYYOVDDNF-ZBFHGGJFSA-N 0 1 306.406 1.553 10 0 DDAEMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NC1CC1 ZINC000157748264 197212941 /nfs/dbraw/zinc/21/29/41/197212941.db2.gz MUUDNZMOZDHUQG-WDEREUQCSA-N 0 1 310.419 1.408 10 0 DDAEMN CCN1CCC[C@H]1CN(C)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000177004747 285270239 /nfs/dbraw/zinc/27/02/39/285270239.db2.gz FAMFRVDQQBBQKQ-ZDUSSCGKSA-N 0 1 316.467 1.144 10 0 DDAEMN Cc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@@H]32)o1 ZINC000248134211 257107812 /nfs/dbraw/zinc/10/78/12/257107812.db2.gz ZTPCQNRPTTZYOV-HRCADAONSA-N 0 1 320.389 1.874 10 0 DDAEMN COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc(C)o2)O1 ZINC000248061914 257110598 /nfs/dbraw/zinc/11/05/98/257110598.db2.gz DFBAKTKXNNEGPL-JYJNAYRXSA-N 0 1 322.405 1.473 10 0 DDAEMN CN(C)C(=O)CO[C@@H]1CN(Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC000248026201 257111003 /nfs/dbraw/zinc/11/10/03/257111003.db2.gz SIIYMHRJDKGNOM-LZLYRXPVSA-N 0 1 318.417 1.523 10 0 DDAEMN COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccoc2)O1 ZINC000247838249 257116381 /nfs/dbraw/zinc/11/63/81/257116381.db2.gz JWCHEPVSYKILLM-KKUMJFAQSA-N 0 1 308.378 1.164 10 0 DDAEMN O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000247463548 257118898 /nfs/dbraw/zinc/11/88/98/257118898.db2.gz BXPAJFWXUMYQNR-MJBXVCDLSA-N 0 1 314.345 1.155 10 0 DDAEMN CON(C)C(=O)c1ccc(O)c(I)c1 ZINC000021987062 257211889 /nfs/dbraw/zinc/21/18/89/257211889.db2.gz FYVSQQKZSNSAEB-UHFFFAOYSA-N 0 1 307.087 1.630 10 0 DDAEMN CCOCCN1CCN([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1CC ZINC000175190809 286090164 /nfs/dbraw/zinc/09/01/64/286090164.db2.gz UGKFLYVZPKGWSO-JKSUJKDBSA-N 0 1 313.486 1.674 10 0 DDAEMN C[C@H](NCc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)s1 ZINC000036991971 406984622 /nfs/dbraw/zinc/98/46/22/406984622.db2.gz ZMDCHYXHBPTSRI-QMMMGPOBSA-N 0 1 313.810 1.650 10 0 DDAEMN C[C@@H](NCC(=O)NC(N)=O)c1cccc(Br)c1 ZINC000038012558 406996602 /nfs/dbraw/zinc/99/66/02/406996602.db2.gz FYHQZPZFFYNOPN-SSDOTTSWSA-N 0 1 300.156 1.295 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccn3C(C)C)CCO2)n[nH]1 ZINC000123085930 407318969 /nfs/dbraw/zinc/31/89/69/407318969.db2.gz YURANXWINOYWRO-ZDUSSCGKSA-N 0 1 317.393 1.963 10 0 DDAEMN CCn1cc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)ccc1=O ZINC000106909363 407366265 /nfs/dbraw/zinc/36/62/65/407366265.db2.gz VCWGKDRLMHGLMH-MRXNPFEDSA-N 0 1 313.401 1.980 10 0 DDAEMN COC(=O)CCCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106907049 407366314 /nfs/dbraw/zinc/36/63/14/407366314.db2.gz GQGFIZYXEMRBKP-HNNXBMFYSA-N 0 1 306.406 1.571 10 0 DDAEMN CCC(=O)N1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000125427322 407388147 /nfs/dbraw/zinc/38/81/47/407388147.db2.gz TVTTUSKPSDIKSR-HZPDHXFCSA-N 0 1 317.433 1.286 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)NCc3cscn3)CC2)CCO1 ZINC000127411981 407436055 /nfs/dbraw/zinc/43/60/55/407436055.db2.gz DBFOTCYIAXBATG-LBPRGKRZSA-N 0 1 324.450 1.538 10 0 DDAEMN Cc1noc([C@@H]2CN(Cc3cc(F)cc(F)c3)C[C@H]2CO)n1 ZINC000253414782 407441263 /nfs/dbraw/zinc/44/12/63/407441263.db2.gz YOZZNPNAPJBXFG-SMDDNHRTSA-N 0 1 309.316 1.864 10 0 DDAEMN OC[C@H](O)CSCc1nc2ccc(Br)cc2[nH]1 ZINC000185562235 407452527 /nfs/dbraw/zinc/45/25/27/407452527.db2.gz YTKIPWFWHPTMHP-QMMMGPOBSA-N 0 1 317.208 1.912 10 0 DDAEMN CC(C)[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195337881 407453410 /nfs/dbraw/zinc/45/34/10/407453410.db2.gz KBHXKSICQHTYST-TWMKSMIVSA-N 0 1 323.481 1.427 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)CCN1CCOC ZINC000152257805 407594848 /nfs/dbraw/zinc/59/48/48/407594848.db2.gz UGODOQMTSKPKIS-OAHLLOKOSA-N 0 1 309.454 1.929 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000262031102 407717739 /nfs/dbraw/zinc/71/77/39/407717739.db2.gz ALGQGHGNUJGXSN-CQSZACIVSA-N 0 1 305.378 1.111 10 0 DDAEMN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116322333 407743293 /nfs/dbraw/zinc/74/32/93/407743293.db2.gz VWVZTTKNWGAXTB-CABCVRRESA-N 0 1 304.438 1.856 10 0 DDAEMN O=C(c1cccc(CN2C[C@@H](O)C[C@@H]2CO)c1)N1CCCCC1 ZINC000179172327 407744718 /nfs/dbraw/zinc/74/47/18/407744718.db2.gz SKGJWNYTTKDVOC-SJORKVTESA-N 0 1 318.417 1.240 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000262275397 407782543 /nfs/dbraw/zinc/78/25/43/407782543.db2.gz KZRSMGDOWZKDFB-DOMZBBRYSA-N 0 1 308.422 1.841 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000262333240 407804606 /nfs/dbraw/zinc/80/46/06/407804606.db2.gz DWGQMPXJLIVHGX-AWEZNQCLSA-N 0 1 319.405 1.580 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1CCOC ZINC000117308686 407828133 /nfs/dbraw/zinc/82/81/33/407828133.db2.gz YLXWEJDAEVZXGJ-OAHLLOKOSA-N 0 1 322.453 1.528 10 0 DDAEMN CCOc1ccc(Br)cc1NC(=O)[C@H](N)COC ZINC000262579559 407871186 /nfs/dbraw/zinc/87/11/86/407871186.db2.gz UGWFXPGWGCCFAL-SECBINFHSA-N 0 1 317.183 1.760 10 0 DDAEMN CC(C)n1cnc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000153651765 407871455 /nfs/dbraw/zinc/87/14/55/407871455.db2.gz MKWBZDDWMUPUDC-OLZOCXBDSA-N 0 1 314.455 1.471 10 0 DDAEMN CCOc1ncccc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263190049 408049962 /nfs/dbraw/zinc/04/99/62/408049962.db2.gz SPSRYSZGFOADLB-UHFFFAOYSA-N 0 1 321.377 1.148 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC000245473867 407997862 /nfs/dbraw/zinc/99/78/62/407997862.db2.gz QJSKXMPECDDFLP-NVXWUHKLSA-N 0 1 323.481 1.286 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ncccc3C)CCO2)n[nH]1 ZINC000175507072 408148607 /nfs/dbraw/zinc/14/86/07/408148607.db2.gz LOHPUUWGABQPTH-CYBMUJFWSA-N 0 1 316.365 1.100 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)CC[C@H]2C)C1 ZINC000263482609 408151065 /nfs/dbraw/zinc/15/10/65/408151065.db2.gz OIZJVLBWDHGBIT-IWMBGFJWSA-N 0 1 311.426 1.754 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)CCc3ccccc3)CCO2)n[nH]1 ZINC000182418739 408153762 /nfs/dbraw/zinc/15/37/62/408153762.db2.gz UZMRNMOMOVBPDN-CVEARBPZSA-N 0 1 316.405 1.480 10 0 DDAEMN C[C@H](CCN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263487475 408154199 /nfs/dbraw/zinc/15/41/99/408154199.db2.gz HSKXBPTZFRXUEC-NVXWUHKLSA-N 0 1 320.433 1.897 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(F)c2)C1 ZINC000263508635 408159661 /nfs/dbraw/zinc/15/96/61/408159661.db2.gz WREMGXRFIGASLQ-UHFFFAOYSA-N 0 1 309.341 1.885 10 0 DDAEMN C[C@@H](NCC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1cccs1 ZINC000182542941 408190169 /nfs/dbraw/zinc/19/01/69/408190169.db2.gz JKQNYAWVAGXJSN-OLZOCXBDSA-N 0 1 323.462 1.916 10 0 DDAEMN O=C(c1c[nH]c(=O)c2ccccc12)N1CCN2CCCC[C@@H]2C1 ZINC000190550767 408274871 /nfs/dbraw/zinc/27/48/71/408274871.db2.gz MCNDSQOCLVYDCY-CYBMUJFWSA-N 0 1 311.385 1.838 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)N2CCOCC2)C1 ZINC000190624747 408290485 /nfs/dbraw/zinc/29/04/85/408290485.db2.gz KOVJFKUVAZQWQZ-MRXNPFEDSA-N 0 1 318.421 1.288 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246766149 408336477 /nfs/dbraw/zinc/33/64/77/408336477.db2.gz BZXNSHPUHQTXJE-ZIAGYGMSSA-N 0 1 318.483 1.292 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1c(F)cccc1F ZINC000171645561 162233161 /nfs/dbraw/zinc/23/31/61/162233161.db2.gz CJAJIJWJNPUTAK-MNOVXSKESA-N 0 1 313.348 1.212 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173552347 162349806 /nfs/dbraw/zinc/34/98/06/162349806.db2.gz WLJJIDYHDWAHLC-ZDUSSCGKSA-N 0 1 322.315 1.534 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173942789 162381142 /nfs/dbraw/zinc/38/11/42/162381142.db2.gz ZKDQRLJPZFPKGT-KRWDZBQOSA-N 0 1 317.433 1.052 10 0 DDAEMN C[C@H](NC(=O)CCc1nc[nH]n1)c1ccc2c(c1)OCCO2 ZINC000176817073 408451950 /nfs/dbraw/zinc/45/19/50/408451950.db2.gz KNFKQVQXCSHMBA-JTQLQIEISA-N 0 1 302.334 1.386 10 0 DDAEMN CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CCN1C[C@H](C)O ZINC000247209543 408430686 /nfs/dbraw/zinc/43/06/86/408430686.db2.gz PMZSGKFLYLAVRG-RDJZCZTQSA-N 0 1 319.449 1.792 10 0 DDAEMN C[C@H](NC(=O)c1cnccc1N(C)C)c1nnc2n1CCCC2 ZINC000183945604 408515410 /nfs/dbraw/zinc/51/54/10/408515410.db2.gz LTMREDBJVJDQPX-NSHDSACASA-N 0 1 314.393 1.566 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000248558797 408586514 /nfs/dbraw/zinc/58/65/14/408586514.db2.gz DPERADVVDIWOOW-WFASDCNBSA-N 0 1 311.389 1.780 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccco2)n[nH]1 ZINC000162017315 408661056 /nfs/dbraw/zinc/66/10/56/408661056.db2.gz IXAPBXRHUJCKNE-MWLCHTKSSA-N 0 1 304.350 1.177 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249541406 408739115 /nfs/dbraw/zinc/73/91/15/408739115.db2.gz FADRUSOMDRPIJB-AEGPPILISA-N 0 1 310.463 1.917 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2COC)C1 ZINC000194156820 408768715 /nfs/dbraw/zinc/76/87/15/408768715.db2.gz UPXNSNHQRRNWSB-CQSZACIVSA-N 0 1 319.405 1.372 10 0 DDAEMN CCCCOCCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185216009 408780672 /nfs/dbraw/zinc/78/06/72/408780672.db2.gz NPXNWRXKHOKOTC-HUUCEWRRSA-N 0 1 315.458 1.290 10 0 DDAEMN Cc1cccc2c(=O)c(C(=O)N[C@H]3CCc4ncnn4C3)c[nH]c12 ZINC000163543822 408780662 /nfs/dbraw/zinc/78/06/62/408780662.db2.gz KIQWPAQRNPRUQS-NSHDSACASA-N 0 1 323.356 1.585 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000188907045 163076303 /nfs/dbraw/zinc/07/63/03/163076303.db2.gz OHYVVJMQIHICJQ-SNVBAGLBSA-N 0 1 316.336 1.566 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)C[C@H](C)N2CCCCC2=O)n[nH]1 ZINC000189518418 163103991 /nfs/dbraw/zinc/10/39/91/163103991.db2.gz CIBHGSPQGQODAK-AAEUAGOBSA-N 0 1 306.410 1.556 10 0 DDAEMN O=C(CN1CCCCCCC1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195055244 163304483 /nfs/dbraw/zinc/30/44/83/163304483.db2.gz NBPLLLKNZSNZTO-HNNXBMFYSA-N 0 1 307.438 1.476 10 0 DDAEMN O=C(CN1CCCCCCC1=O)N1CCN2CCCC[C@H]2C1 ZINC000195055244 163304487 /nfs/dbraw/zinc/30/44/87/163304487.db2.gz NBPLLLKNZSNZTO-HNNXBMFYSA-N 0 1 307.438 1.476 10 0 DDAEMN CC(C)c1nnc2n1C[C@H](N[C@H](C(N)=O)c1ccccc1)CC2 ZINC000195402464 163320065 /nfs/dbraw/zinc/32/00/65/163320065.db2.gz YRVAEFITZMWOOM-HIFRSBDPSA-N 0 1 313.405 1.533 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515781 163325749 /nfs/dbraw/zinc/32/57/49/163325749.db2.gz AHMNZVHFOKIFJZ-HUUCEWRRSA-N 0 1 304.438 1.976 10 0 DDAEMN C[C@H](NC(=O)c1ccc(Br)cc1N)c1nnc[nH]1 ZINC000225289079 163334935 /nfs/dbraw/zinc/33/49/35/163334935.db2.gz CGZRBYOSWVCHJG-LURJTMIESA-N 0 1 310.155 1.640 10 0 DDAEMN CC(C)n1cc([C@@]2(O)CCCN(Cc3cccn3C)C2)nn1 ZINC000285400598 409430140 /nfs/dbraw/zinc/43/01/40/409430140.db2.gz GBGLITOUTWWBCS-MRXNPFEDSA-N 0 1 303.410 1.681 10 0 DDAEMN COc1cc(C)nc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)n1 ZINC000343331341 410365126 /nfs/dbraw/zinc/36/51/26/410365126.db2.gz FGINWWYGIJJTQF-MNOVXSKESA-N 0 1 304.354 1.187 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3ccccc3OC)CCO2)n[nH]1 ZINC000129229927 196031519 /nfs/dbraw/zinc/03/15/19/196031519.db2.gz GUMWGRZBEZGNAU-AWEZNQCLSA-N 0 1 302.378 1.949 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000637930344 422486812 /nfs/dbraw/zinc/48/68/12/422486812.db2.gz VUOHRJDAXCSVAR-DARAHFNDSA-N 0 1 306.406 1.603 10 0 DDAEMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000634829654 422672265 /nfs/dbraw/zinc/67/22/65/422672265.db2.gz CLVILJAOLNGTCG-BZUAXINKSA-N 0 1 316.401 1.734 10 0 DDAEMN O=C1Nc2ccccc2CC[C@@H]1N1CC[C@H](N2CCOCC2)C1 ZINC000192043003 275025426 /nfs/dbraw/zinc/02/54/26/275025426.db2.gz AZQJZRMZPXZFHX-RDJZCZTQSA-N 0 1 315.417 1.346 10 0 DDAEMN C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN(C)C)CC2)CC(C)(C)C1 ZINC000183138372 279940124 /nfs/dbraw/zinc/94/01/24/279940124.db2.gz ZJRZGBPREAQREM-LSDHHAIUSA-N 0 1 323.481 1.681 10 0 DDAEMN C[C@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@H]4C3)ccc2O1 ZINC000247558183 282059851 /nfs/dbraw/zinc/05/98/51/282059851.db2.gz RFYMAXAYESFMKU-JSGCOSHPSA-N 0 1 322.430 1.479 10 0 DDAEMN CSc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170873667 298223416 /nfs/dbraw/zinc/22/34/16/298223416.db2.gz HAPHVUNGQJGSBV-NSHDSACASA-N 0 1 300.449 1.733 10 0 DDAEMN O=C(c1ccc(Br)o1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404241754 307297889 /nfs/dbraw/zinc/29/78/89/307297889.db2.gz XPMJPRLFEVCHIG-DTWKUNHWSA-N 0 1 315.167 1.245 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(Cl)nc3C)CCO2)n[nH]1 ZINC000157574099 526534544 /nfs/dbraw/zinc/53/45/44/526534544.db2.gz JIHOYPWTBVOHHR-NSHDSACASA-N 0 1 321.768 1.684 10 0 DDAEMN O=C([N-]CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1)C(F)(F)F ZINC000154832596 527666456 /nfs/dbraw/zinc/66/64/56/527666456.db2.gz YNSKJBMKYRUZPP-NSHDSACASA-N 0 1 319.331 1.059 10 0 DDAEMN O=C([N-]CCC[N@H+]1CCC[C@H](Cn2cncn2)C1)C(F)(F)F ZINC000154832596 527666460 /nfs/dbraw/zinc/66/64/60/527666460.db2.gz YNSKJBMKYRUZPP-NSHDSACASA-N 0 1 319.331 1.059 10 0 DDAEMN Cn1cc([C@@H]2CCCN2C(=O)c2nnc3ccccc3c2O)cn1 ZINC000111607618 696645070 /nfs/dbraw/zinc/64/50/70/696645070.db2.gz ONZITYDPIGIYQS-AWEZNQCLSA-N 0 1 323.356 1.634 10 0 DDAEMN CNC(=O)[C@H](NCc1cc(OC)ccc1OCOC)C(C)C ZINC000179906777 697442593 /nfs/dbraw/zinc/44/25/93/697442593.db2.gz RHWWQCUPZXHUOG-OAHLLOKOSA-N 0 1 310.394 1.538 10 0 DDAEMN COc1ccc([C@@H](C)NCC(=O)N2CCO[C@@H](C)C2)cc1OC ZINC000180884082 697453209 /nfs/dbraw/zinc/45/32/09/697453209.db2.gz KVAFNVJOPPXKNW-QWHCGFSZSA-N 0 1 322.405 1.602 10 0 DDAEMN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCOC1 ZINC000181992737 697468925 /nfs/dbraw/zinc/46/89/25/697468925.db2.gz ZHVQPPPLNBGGKC-CYBMUJFWSA-N 0 1 308.426 1.259 10 0 DDAEMN CCCCCCNC(=O)CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000186676585 697536309 /nfs/dbraw/zinc/53/63/09/697536309.db2.gz ADQUSAOWMLZUPJ-UHFFFAOYSA-N 0 1 313.442 1.164 10 0 DDAEMN C/C=C\CN1CCCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000219328364 697754445 /nfs/dbraw/zinc/75/44/45/697754445.db2.gz MKKDGLSHADKWDO-IHWYPQMZSA-N 0 1 302.422 1.876 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000262241392 698460855 /nfs/dbraw/zinc/46/08/55/698460855.db2.gz HTSABINBLMNTDV-ONGXEEELSA-N 0 1 320.311 1.563 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CSC(C)(C)C)CC1 ZINC000262884378 698483291 /nfs/dbraw/zinc/48/32/91/698483291.db2.gz FZMOERCQGYMKQF-GFCCVEGCSA-N 0 1 316.467 1.916 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CSC(C)(C)C)CC1 ZINC000262884379 698483297 /nfs/dbraw/zinc/48/32/97/698483297.db2.gz FZMOERCQGYMKQF-LBPRGKRZSA-N 0 1 316.467 1.916 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000263008961 698487818 /nfs/dbraw/zinc/48/78/18/698487818.db2.gz YJVFJIMRCHHZSI-HNNXBMFYSA-N 0 1 322.380 1.766 10 0 DDAEMN CC(C)(NC(=O)[C@H]1C[C@]12CCOc1ccccc12)c1c[nH]nn1 ZINC000734403709 699649575 /nfs/dbraw/zinc/64/95/75/699649575.db2.gz KOEPUOHGNKOBOH-PXAZEXFGSA-N 0 1 312.373 1.896 10 0 DDAEMN CO[C@]1(c2nnc(-c3ccc4cncn4c3C)o2)CCOC1 ZINC000886086096 708695750 /nfs/dbraw/zinc/69/57/50/708695750.db2.gz QJBMEADPYJAJLZ-OAHLLOKOSA-N 0 1 300.318 1.955 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc[nH]3)C2)ccn1 ZINC000886095278 708697312 /nfs/dbraw/zinc/69/73/12/708697312.db2.gz QFPKEHDXYRPHOL-HNNXBMFYSA-N 0 1 314.389 1.765 10 0 DDAEMN O=C([O-])C12CCC(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)(CC1)C2 ZINC000910683932 710046152 /nfs/dbraw/zinc/04/61/52/710046152.db2.gz JRRIJUIHPBYVTR-NVPAJSRCSA-N 0 1 306.406 1.718 10 0 DDAEMN O=C([O-])C12CCC(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)(CC1)C2 ZINC000910683932 710046158 /nfs/dbraw/zinc/04/61/58/710046158.db2.gz JRRIJUIHPBYVTR-NVPAJSRCSA-N 0 1 306.406 1.718 10 0 DDAEMN CC[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)CCN1CCOC ZINC000892353629 710421995 /nfs/dbraw/zinc/42/19/95/710421995.db2.gz CMMIRLKFUDCVTA-SNVBAGLBSA-N 0 1 324.816 1.553 10 0 DDAEMN O=C([O-])CC[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1ccc(F)cc1 ZINC000074599545 185001127 /nfs/dbraw/zinc/00/11/27/185001127.db2.gz CJQQKMCYDKDZKQ-NEPJUHHUSA-N 0 1 312.366 1.510 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCC[C@@H](NC(=O)OCC)C1 ZINC000248643063 282095604 /nfs/dbraw/zinc/09/56/04/282095604.db2.gz DODMHHQGPIFYMH-KGLIPLIRSA-N 0 1 302.415 1.375 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1C(=O)CSc1n[nH]c(=S)s1 ZINC000081826281 192328878 /nfs/dbraw/zinc/32/88/78/192328878.db2.gz IDJGFNSVOSHMBH-KNVOCYPGSA-N 0 1 305.450 1.555 10 0 DDAEMN CC(C)[C@H](CNC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000087502380 185227120 /nfs/dbraw/zinc/22/71/20/185227120.db2.gz GMUFKMHADPWZRH-ZDUSSCGKSA-N 0 1 301.431 1.763 10 0 DDAEMN CC(C)Cc1nc(N(C)C)[nH]c(=O)c1I ZINC000087522416 185227743 /nfs/dbraw/zinc/22/77/43/185227743.db2.gz NEUNNNPNQATMEI-UHFFFAOYSA-N 0 1 321.162 1.639 10 0 DDAEMN CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087676983 185230458 /nfs/dbraw/zinc/23/04/58/185230458.db2.gz ZCJQKUPTTAXFGV-OLZOCXBDSA-N 0 1 301.431 1.905 10 0 DDAEMN NN=c1cc(Nc2ccc(Br)cc2F)[nH]c(N)n1 ZINC000087885179 185234497 /nfs/dbraw/zinc/23/44/97/185234497.db2.gz YXCXVPZACFLLIN-UHFFFAOYSA-N 0 1 313.134 1.990 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(CC)CC(C)C)c1S(N)(=O)=O ZINC000087895285 185235544 /nfs/dbraw/zinc/23/55/44/185235544.db2.gz CYDRDPVMJCRSPJ-UHFFFAOYSA-N 0 1 316.427 1.128 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1cc(C)nn1C(C)(C)C)C(C)C ZINC000183679232 539243113 /nfs/dbraw/zinc/24/31/13/539243113.db2.gz BXODYSBFWYRGCA-CQSZACIVSA-N 0 1 323.441 1.245 10 0 DDAEMN CCOc1ccc([C@H](N)CS(=O)(=O)CCC(=O)OC)cc1 ZINC000081975217 192348382 /nfs/dbraw/zinc/34/83/82/192348382.db2.gz HUIIPUCSKGCKHP-CYBMUJFWSA-N 0 1 315.391 1.063 10 0 DDAEMN COC(=O)CS(=O)(=O)C[C@H](N)c1ccc(CC(C)C)cc1 ZINC000081975764 192348503 /nfs/dbraw/zinc/34/85/03/192348503.db2.gz MWLXGMFGXPBCQT-AWEZNQCLSA-N 0 1 313.419 1.473 10 0 DDAEMN Cc1nc(S(=O)(=O)N2CCNCC23CCCCC3)cn1C ZINC000088396221 185248564 /nfs/dbraw/zinc/24/85/64/185248564.db2.gz WWFIPSRQHLSKIK-UHFFFAOYSA-N 0 1 312.439 1.025 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC)o1 ZINC000088543941 185256842 /nfs/dbraw/zinc/25/68/42/185256842.db2.gz ZGNVQCQEPUIGOI-NSHDSACASA-N 0 1 302.396 1.189 10 0 DDAEMN Cc1ccc(Cl)cc1OCCN[C@@H]1CCS(=O)(=O)C1 ZINC000088730751 185263756 /nfs/dbraw/zinc/26/37/56/185263756.db2.gz IGFDFBUWBHIKEQ-GFCCVEGCSA-N 0 1 303.811 1.804 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2ccc(CO)cc2)CC1 ZINC000088891781 185269600 /nfs/dbraw/zinc/26/96/00/185269600.db2.gz MTCKLBOLMNINPL-UHFFFAOYSA-N 0 1 312.435 1.284 10 0 DDAEMN CCN(CC)C(=O)CCC[N@@H+](CC)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090474064 185298469 /nfs/dbraw/zinc/29/84/69/185298469.db2.gz KYBKGTBDLFZAQJ-STQMWFEESA-N 0 1 300.399 1.057 10 0 DDAEMN O[C@H](COCc1ccccc1)CN1CCCC2(C1)OCCO2 ZINC000090561838 185303479 /nfs/dbraw/zinc/30/34/79/185303479.db2.gz BUAAWUQHTBZXCU-INIZCTEOSA-N 0 1 307.390 1.403 10 0 DDAEMN CNc1ccnc(CN2C(=O)N[C@@](C)(C(F)(F)F)C2=O)c1 ZINC000092419870 185317148 /nfs/dbraw/zinc/31/71/48/185317148.db2.gz XDGIGLABJNENGX-LLVKDONJSA-N 0 1 302.256 1.496 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000092627869 185330286 /nfs/dbraw/zinc/33/02/86/185330286.db2.gz ZWVXMTRZWUSDQL-LLVKDONJSA-N 0 1 317.842 1.840 10 0 DDAEMN Cc1ccc(C[C@H](C)NC(=O)[C@H]2Cc3nc[nH]c3CN2)s1 ZINC000092783261 185340748 /nfs/dbraw/zinc/34/07/48/185340748.db2.gz NIVYZHUBBDKDOY-TVQRCGJNSA-N 0 1 304.419 1.541 10 0 DDAEMN COC(=O)c1n[nH]c(C(F)(F)F)c1I ZINC000675067993 545670118 /nfs/dbraw/zinc/67/01/18/545670118.db2.gz LRHNVTNTUZROJS-UHFFFAOYSA-N 0 1 320.008 1.820 10 0 DDAEMN CCN(CC)C(=O)CN(C)C[C@@H](C(N)=S)c1ccccc1 ZINC000083861895 192387936 /nfs/dbraw/zinc/38/79/36/192387936.db2.gz BZSNUBWETFUREP-CQSZACIVSA-N 0 1 307.463 1.857 10 0 DDAEMN CCOc1ccc2nc([C@H](C)N3CCN(C=O)CC3)[nH]c2c1 ZINC000071675518 191006182 /nfs/dbraw/zinc/00/61/82/191006182.db2.gz YVBFKNWPQLJIEQ-LBPRGKRZSA-N 0 1 302.378 1.797 10 0 DDAEMN COc1ccc(Br)c(CN[C@H]2CCOC[C@@H]2O)c1 ZINC000623766283 366045518 /nfs/dbraw/zinc/04/55/18/366045518.db2.gz CXXAMSBXOQSETL-STQMWFEESA-N 0 1 316.195 1.697 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2ccccn2)CCN1CCOC ZINC000172320749 198079750 /nfs/dbraw/zinc/07/97/50/198079750.db2.gz GERJLTBXYPUSDA-INIZCTEOSA-N 0 1 320.437 1.376 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n[nH]1 ZINC000173582735 198230020 /nfs/dbraw/zinc/23/00/20/198230020.db2.gz GQSICPMEKJAHJJ-NSHDSACASA-N 0 1 306.391 1.571 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)n[nH]1 ZINC000173575354 198228792 /nfs/dbraw/zinc/22/87/92/198228792.db2.gz VMGIFYKEFOSMRA-LBPRGKRZSA-N 0 1 322.315 1.859 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccccc3O)CCO2)n[nH]1 ZINC000173756315 198248229 /nfs/dbraw/zinc/24/82/29/198248229.db2.gz ZHCFZMVTELRUSW-CYBMUJFWSA-N 0 1 316.361 1.215 10 0 DDAEMN CC(C)OCCN1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000174892697 198398147 /nfs/dbraw/zinc/39/81/47/198398147.db2.gz DSQBMVQUEFLIQG-SFHVURJKSA-N 0 1 306.450 1.937 10 0 DDAEMN COC(=O)[C@H]1Cc2nc[nH]c2[C@H](c2cccc(Cl)c2F)N1 ZINC000168356720 354250516 /nfs/dbraw/zinc/25/05/16/354250516.db2.gz HLOPSGPRMGMMRU-PWSUYJOCSA-N 0 1 309.728 1.979 10 0 DDAEMN COC(=O)c1ccc(Br)cc1NS(C)(=O)=O ZINC000207484777 354307838 /nfs/dbraw/zinc/30/78/38/354307838.db2.gz CHEZKQXTGKTDBP-UHFFFAOYSA-N 0 1 308.153 1.607 10 0 DDAEMN CNc1ncc(S(=O)(=O)NC[C@@H](C)N(C)C)cc1Cl ZINC000081693723 192314444 /nfs/dbraw/zinc/31/44/44/192314444.db2.gz PGESKKAMDLNNGW-MRVPVSSYSA-N 0 1 306.819 1.005 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)NCCC(F)(F)F ZINC000089035084 192709900 /nfs/dbraw/zinc/70/99/00/192709900.db2.gz ZJPBAOAVSXCJJI-UHFFFAOYSA-N 0 1 314.333 1.058 10 0 DDAEMN C[C@@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)N1CCCCC1=O ZINC000193813691 201128497 /nfs/dbraw/zinc/12/84/97/201128497.db2.gz IVPXFDWZJZRKMK-JTQLQIEISA-N 0 1 305.382 1.802 10 0 DDAEMN C[C@@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)N1CCCCC1=O ZINC000193813691 201128500 /nfs/dbraw/zinc/12/85/00/201128500.db2.gz IVPXFDWZJZRKMK-JTQLQIEISA-N 0 1 305.382 1.802 10 0 DDAEMN [NH3+]C1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000091843384 193116491 /nfs/dbraw/zinc/11/64/91/193116491.db2.gz SBPNFDAXLHNAMH-UHFFFAOYSA-N 0 1 308.325 1.652 10 0 DDAEMN COc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@H]1COCCN1 ZINC000262037325 203181372 /nfs/dbraw/zinc/18/13/72/203181372.db2.gz FTYLIEZWGACCFL-XJKSGUPXSA-N 0 1 304.390 1.567 10 0 DDAEMN COCc1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)ncn1 ZINC000093314194 193228564 /nfs/dbraw/zinc/22/85/64/193228564.db2.gz ITASNOZCUWQZNT-CYBMUJFWSA-N 0 1 305.382 1.325 10 0 DDAEMN COC(=O)[C@@]1(NC2CC2)CCC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC000093778832 193306000 /nfs/dbraw/zinc/30/60/00/193306000.db2.gz HIJXWLMGOZFBFA-BXUZGUMPSA-N 0 1 310.423 1.812 10 0 DDAEMN CCN1CCN(c2nc(C(F)(F)F)ccc2C(N)=S)CC1 ZINC000094335889 193360302 /nfs/dbraw/zinc/36/03/02/193360302.db2.gz RYGICERBIBCCPG-UHFFFAOYSA-N 0 1 318.368 1.877 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1[NH3+] ZINC000094340018 193361648 /nfs/dbraw/zinc/36/16/48/193361648.db2.gz ORZVVRXWIDCPKW-GZMMTYOYSA-N 0 1 313.195 1.964 10 0 DDAEMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC[N@H+]1C ZINC000094338058 193361679 /nfs/dbraw/zinc/36/16/79/193361679.db2.gz DNOACORDPDJPCQ-MRVPVSSYSA-N 0 1 303.284 1.939 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@H]1[NH3+] ZINC000094340017 193362060 /nfs/dbraw/zinc/36/20/60/193362060.db2.gz ORZVVRXWIDCPKW-LDYMZIIASA-N 0 1 313.195 1.964 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)NCCN1CCCC1 ZINC000094360510 193366007 /nfs/dbraw/zinc/36/60/07/193366007.db2.gz NPACZIXFRFAAMC-UHFFFAOYSA-N 0 1 301.387 1.090 10 0 DDAEMN Nc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)ccc1Cl ZINC000019775273 182147027 /nfs/dbraw/zinc/14/70/27/182147027.db2.gz UZDNLDVAPBGXDO-VIFPVBQESA-N 0 1 311.769 1.657 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)NC[C@H](C(C)C)N(C)C)cc1 ZINC000040429972 183066173 /nfs/dbraw/zinc/06/61/73/183066173.db2.gz RJERIMXZOQFZEG-OAHLLOKOSA-N 0 1 312.435 1.754 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2cc(N)cc(C)c2C)C1 ZINC000040501845 183083622 /nfs/dbraw/zinc/08/36/22/183083622.db2.gz MNIFQMFMCFEKNJ-CQSZACIVSA-N 0 1 311.451 1.648 10 0 DDAEMN CC(C)c1ccc(NS(=O)(=O)c2cnc(NN)nc2)cc1 ZINC000041071059 183162570 /nfs/dbraw/zinc/16/25/70/183162570.db2.gz KBUTUUWATRVTFC-UHFFFAOYSA-N 0 1 307.379 1.686 10 0 DDAEMN CC(C)CN(CC(C)C)S(=O)(=O)c1ccnc(NN)c1 ZINC000042034714 183229974 /nfs/dbraw/zinc/22/99/74/183229974.db2.gz KDNWSGJEGYJRSI-UHFFFAOYSA-N 0 1 300.428 1.670 10 0 DDAEMN COC(=O)CCN(C)c1c(C(N)=S)cnc2ccccc21 ZINC000042551629 183284031 /nfs/dbraw/zinc/28/40/31/183284031.db2.gz XEIVYJQBCCPBGZ-UHFFFAOYSA-N 0 1 303.387 1.868 10 0 DDAEMN CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccnc(NN)c1 ZINC000043437562 183363228 /nfs/dbraw/zinc/36/32/28/183363228.db2.gz ZCIPIBMNASMTDL-UHFFFAOYSA-N 0 1 300.428 1.860 10 0 DDAEMN CCN(CCC[NH2+]Cc1ccc([O-])c(Cl)c1)S(C)(=O)=O ZINC000043488356 183366621 /nfs/dbraw/zinc/36/66/21/183366621.db2.gz ILMCSPVOTPFOGZ-UHFFFAOYSA-N 0 1 320.842 1.807 10 0 DDAEMN COc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4)[C@@H]3C2=O)cc1 ZINC000105592309 194112447 /nfs/dbraw/zinc/11/24/47/194112447.db2.gz XSBLVCFDZHXPJR-HOCLYGCPSA-N 0 1 322.320 1.988 10 0 DDAEMN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1cccc(F)c1 ZINC000105882906 194156172 /nfs/dbraw/zinc/15/61/72/194156172.db2.gz MTSXNFQEEBEYGB-ZDUSSCGKSA-N 0 1 317.368 1.768 10 0 DDAEMN C[C@H](NC(=O)[C@H](C)N1CCC(CC(N)=O)CC1)c1ccccc1 ZINC000048025882 183614919 /nfs/dbraw/zinc/61/49/19/183614919.db2.gz JFNVJNGVUAGONA-KBPBESRZSA-N 0 1 317.433 1.840 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CN2CCN(C)CC2)o1 ZINC000106520376 194224424 /nfs/dbraw/zinc/22/44/24/194224424.db2.gz AKXNUMVYKFBKRB-JSGCOSHPSA-N 0 1 308.426 1.584 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2ccccn2)CC1 ZINC000109463297 194265270 /nfs/dbraw/zinc/26/52/70/194265270.db2.gz WBNIAZVAXGOJJC-CYBMUJFWSA-N 0 1 306.435 1.294 10 0 DDAEMN Cn1ncc2c1nc(CN1CCN(C)C(C)(C)C1)nc2Cl ZINC000110717694 194354119 /nfs/dbraw/zinc/35/41/19/194354119.db2.gz TXJMIKUONKGICY-UHFFFAOYSA-N 0 1 308.817 1.543 10 0 DDAEMN CC[C@@H]1CN(c2nnc(SCC(=O)[O-])s2)CC[N@@H+]1C ZINC000110736672 194354918 /nfs/dbraw/zinc/35/49/18/194354918.db2.gz WJUFHXXOADWSCL-MRVPVSSYSA-N 0 1 302.425 1.245 10 0 DDAEMN CC[C@@H]1CN(c2nnc(SCC(=O)[O-])s2)CC[N@H+]1C ZINC000110736672 194354920 /nfs/dbraw/zinc/35/49/20/194354920.db2.gz WJUFHXXOADWSCL-MRVPVSSYSA-N 0 1 302.425 1.245 10 0 DDAEMN Cc1cc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)no1 ZINC000056242592 184007883 /nfs/dbraw/zinc/00/78/83/184007883.db2.gz AXYRENKYYLLESX-CYBMUJFWSA-N 0 1 316.361 1.341 10 0 DDAEMN C[C@@H](NC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1)c1ccsc1 ZINC000061370296 184169428 /nfs/dbraw/zinc/16/94/28/184169428.db2.gz SNZPCIDGEVDAHN-LLVKDONJSA-N 0 1 311.407 1.611 10 0 DDAEMN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)cc1N ZINC000061642546 184180616 /nfs/dbraw/zinc/18/06/16/184180616.db2.gz OTPIDPGZXADHHM-CYBMUJFWSA-N 0 1 311.451 1.546 10 0 DDAEMN C[C@H](O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655571 184181275 /nfs/dbraw/zinc/18/12/75/184181275.db2.gz WSKIWWXRSRHNRH-GXTWGEPZSA-N 0 1 312.435 1.455 10 0 DDAEMN CC(C)(C)[C@H]1CC[C@@H](O)[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062085857 184205486 /nfs/dbraw/zinc/20/54/86/184205486.db2.gz GDYPPFASIYCZHA-BFHYXJOUSA-N 0 1 318.483 1.139 10 0 DDAEMN CN(CCN1CCCC1)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000063051392 184268684 /nfs/dbraw/zinc/26/86/84/184268684.db2.gz REIVPWXRBQQEQC-UHFFFAOYSA-N 0 1 319.377 1.263 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000119907308 195060098 /nfs/dbraw/zinc/06/00/98/195060098.db2.gz CBSTXXYYXURAMX-QGZVFWFLSA-N 0 1 321.465 1.206 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1)N1CCCO1 ZINC000247763998 257118623 /nfs/dbraw/zinc/11/86/23/257118623.db2.gz JGDOVKYGAYHFHZ-ILXRZTDVSA-N 0 1 306.362 1.423 10 0 DDAEMN Cn1cc(Nc2cccc(C(=O)N3CCNC(C)(C)C3)c2)cn1 ZINC000121039598 195285776 /nfs/dbraw/zinc/28/57/76/195285776.db2.gz KDWNNHCSIWPUKW-UHFFFAOYSA-N 0 1 313.405 1.988 10 0 DDAEMN COc1cc(CN[C@@H]2CCCNC2=O)c(SC)cc1OC ZINC000077988856 407016545 /nfs/dbraw/zinc/01/65/45/407016545.db2.gz UAAATNKYUPGMSJ-LLVKDONJSA-N 0 1 310.419 1.794 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000078684562 407041564 /nfs/dbraw/zinc/04/15/64/407041564.db2.gz AEYQTIUTPXRNAG-QWHCGFSZSA-N 0 1 322.405 1.650 10 0 DDAEMN C[C@@H](NC(=O)C(=O)N1CCNCC1)c1ccc(Cl)s1 ZINC000049148295 407116789 /nfs/dbraw/zinc/11/67/89/407116789.db2.gz ZIPVBWIIPNUNQG-MRVPVSSYSA-N 0 1 301.799 1.011 10 0 DDAEMN CCC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C(=O)[O-] ZINC000091754549 407182540 /nfs/dbraw/zinc/18/25/40/407182540.db2.gz DYLJFOAZHICXKW-ZIAGYGMSSA-N 0 1 307.394 1.931 10 0 DDAEMN O=S(=O)([N-]C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073353 407206449 /nfs/dbraw/zinc/20/64/49/407206449.db2.gz BUPVFXUVJKVEAO-SNVBAGLBSA-N 0 1 311.432 1.574 10 0 DDAEMN CN(c1cccnn1)C1CCN(CCOCC(F)(F)F)CC1 ZINC000105807245 407355805 /nfs/dbraw/zinc/35/58/05/407355805.db2.gz BTPDZZQEGUUVRR-UHFFFAOYSA-N 0 1 318.343 1.956 10 0 DDAEMN CCN(CC)C(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105884709 407356340 /nfs/dbraw/zinc/35/63/40/407356340.db2.gz ZDABQNDAEIQNCV-HNNXBMFYSA-N 0 1 307.442 1.475 10 0 DDAEMN COC(=O)CCCN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106907051 407366439 /nfs/dbraw/zinc/36/64/39/407366439.db2.gz GQGFIZYXEMRBKP-OAHLLOKOSA-N 0 1 306.406 1.571 10 0 DDAEMN CCCC[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cc(C)on1 ZINC000112548639 407432186 /nfs/dbraw/zinc/43/21/86/407432186.db2.gz LSZWOXSSQKHWGC-ZIAGYGMSSA-N 0 1 324.425 1.401 10 0 DDAEMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCN(c2ccccc2)CC1 ZINC000170241143 407440031 /nfs/dbraw/zinc/44/00/31/407440031.db2.gz WLSLNHRWYVASMJ-ZDUSSCGKSA-N 0 1 311.389 1.258 10 0 DDAEMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCN(c2ccccc2)CC1 ZINC000170241143 407440034 /nfs/dbraw/zinc/44/00/34/407440034.db2.gz WLSLNHRWYVASMJ-ZDUSSCGKSA-N 0 1 311.389 1.258 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000178671037 407539588 /nfs/dbraw/zinc/53/95/88/407539588.db2.gz NFZRKEYFNRQSKP-DLBZAZTESA-N 0 1 320.433 1.159 10 0 DDAEMN CCO[C@@H]1C[C@H](N[C@H](C(N)=O)c2ccccc2)C12CCOCC2 ZINC000186228729 407613077 /nfs/dbraw/zinc/61/30/77/407613077.db2.gz VUVBASPIMGVRLR-XHSDSOJGSA-N 0 1 318.417 1.777 10 0 DDAEMN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000171182103 407618082 /nfs/dbraw/zinc/61/80/82/407618082.db2.gz CAJADWYWUAESET-GHMZBOCLSA-N 0 1 300.318 1.528 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3CC[C@@H](C)O3)n2)cc1 ZINC000152471128 407639494 /nfs/dbraw/zinc/63/94/94/407639494.db2.gz MWLPFWIVPVPVHO-MFKMUULPSA-N 0 1 316.361 1.664 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)[C@@H]3CC[C@@H](C)O3)n[nH]2)cc1 ZINC000152471128 407639502 /nfs/dbraw/zinc/63/95/02/407639502.db2.gz MWLPFWIVPVPVHO-MFKMUULPSA-N 0 1 316.361 1.664 10 0 DDAEMN CCO[C@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C12CCOCC2 ZINC000186460326 407671612 /nfs/dbraw/zinc/67/16/12/407671612.db2.gz JMFMJZRXINOJDX-HOTGVXAUSA-N 0 1 324.465 1.809 10 0 DDAEMN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H](N)COC)n2)cc1 ZINC000262168092 407756986 /nfs/dbraw/zinc/75/69/86/407756986.db2.gz AMBIPIKLLVUWRP-MFKMUULPSA-N 0 1 318.377 1.450 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1 ZINC000262189650 407764196 /nfs/dbraw/zinc/76/41/96/407764196.db2.gz CERIMGFUACAQKF-SSDOTTSWSA-N 0 1 315.395 1.139 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000262206482 407765566 /nfs/dbraw/zinc/76/55/66/407765566.db2.gz DNZDMFHZYCYQDR-MEBBXXQBSA-N 0 1 320.368 1.471 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc[nH]c2=O)C[C@H]1CC ZINC000116767899 407772461 /nfs/dbraw/zinc/77/24/61/407772461.db2.gz PWXJQOJYFYQNQS-CYBMUJFWSA-N 0 1 307.394 1.360 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000262315886 407797271 /nfs/dbraw/zinc/79/72/71/407797271.db2.gz PTTHXXDNPIDQCV-SECBINFHSA-N 0 1 312.782 1.771 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccncc2)C[C@@H]1CC ZINC000117021962 407807258 /nfs/dbraw/zinc/80/72/58/407807258.db2.gz HLVZOKHISMZJJC-INIZCTEOSA-N 0 1 320.437 1.724 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000262354570 407808741 /nfs/dbraw/zinc/80/87/41/407808741.db2.gz UUZXTONGQNONIG-SECBINFHSA-N 0 1 313.810 1.582 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@@H](C)SC)CCN1CCOC ZINC000133765185 407869610 /nfs/dbraw/zinc/86/96/10/407869610.db2.gz KSKTXOWVBPFQNZ-OLZOCXBDSA-N 0 1 303.472 1.490 10 0 DDAEMN C[C@H]1CCCN(c2cc(NCCN3CCCOCC3)ncn2)C1 ZINC000188501127 407949781 /nfs/dbraw/zinc/94/97/81/407949781.db2.gz QVPDEHAFUROLLK-HNNXBMFYSA-N 0 1 319.453 1.847 10 0 DDAEMN Cc1ncoc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262760526 407919890 /nfs/dbraw/zinc/91/98/90/407919890.db2.gz ZRSWMDNWTWJUBD-UHFFFAOYSA-N 0 1 307.350 1.040 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCCSC)CCN1C[C@@H](C)O ZINC000181791676 408040908 /nfs/dbraw/zinc/04/09/08/408040908.db2.gz DWTYCELZDDFNRL-KGLIPLIRSA-N 0 1 317.499 1.616 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2CC(F)(F)C2)C1 ZINC000263368317 408123144 /nfs/dbraw/zinc/12/31/44/408123144.db2.gz MCBVWHGQKXEHFA-UHFFFAOYSA-N 0 1 319.352 1.268 10 0 DDAEMN CC(C)[N@H+]1C[C@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000246163002 408159156 /nfs/dbraw/zinc/15/91/56/408159156.db2.gz LZSHVQCFAQBNBP-GXFFZTMASA-N 0 1 318.389 1.972 10 0 DDAEMN CCc1ncnc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1F ZINC000263544801 408169579 /nfs/dbraw/zinc/16/95/79/408169579.db2.gz GFXMIEIVVVESFT-UHFFFAOYSA-N 0 1 322.384 1.918 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000246379320 408238131 /nfs/dbraw/zinc/23/81/31/408238131.db2.gz IBCKCRVWMABQTJ-TWMKSMIVSA-N 0 1 323.481 1.143 10 0 DDAEMN C[C@H]1OCCC[C@@H]1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000190265105 408205710 /nfs/dbraw/zinc/20/57/10/408205710.db2.gz KGQKKGFAODDDRJ-OCCSQVGLSA-N 0 1 314.389 1.946 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCN(C)CC3)c2)O1 ZINC000150831103 408209304 /nfs/dbraw/zinc/20/93/04/408209304.db2.gz NENHARIPMOZZMB-PBHICJAKSA-N 0 1 317.433 1.940 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000246309491 408214872 /nfs/dbraw/zinc/21/48/72/408214872.db2.gz CJQQFSOVJAOEKT-XOKHGSTOSA-N 0 1 308.397 1.512 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000246695137 408318333 /nfs/dbraw/zinc/31/83/33/408318333.db2.gz YZUWZZZFEUCRCV-CMPLNLGQSA-N 0 1 318.389 1.972 10 0 DDAEMN CCCCSCCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246712212 408323011 /nfs/dbraw/zinc/32/30/11/408323011.db2.gz KWPRSUXAZZUKRM-KGLIPLIRSA-N 0 1 302.484 1.823 10 0 DDAEMN CCN(C)[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000246500818 408275266 /nfs/dbraw/zinc/27/52/66/408275266.db2.gz BJSJVMNADLWKDG-GOEBONIOSA-N 0 1 313.405 1.402 10 0 DDAEMN C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1nnc2n1CCCC2 ZINC000131507237 162016715 /nfs/dbraw/zinc/01/67/15/162016715.db2.gz PHLFRRIQHFCRBO-VIFPVBQESA-N 0 1 311.349 1.377 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)N1CC[C@@H](N2CCOCC2)C1)C(C)C ZINC000246798601 408341428 /nfs/dbraw/zinc/34/14/28/408341428.db2.gz AZLDDTCTTUOGBW-HZPDHXFCSA-N 0 1 311.470 1.427 10 0 DDAEMN O=C(NC[C@@H]1CSCCS1)N1CCN2CCCC[C@H]2C1 ZINC000132355314 162035821 /nfs/dbraw/zinc/03/58/21/162035821.db2.gz WNHDJHUGDBJILR-QWHCGFSZSA-N 0 1 315.508 1.715 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1F ZINC000246766978 408336618 /nfs/dbraw/zinc/33/66/18/408336618.db2.gz ATQANGXWUHREGG-CHWSQXEVSA-N 0 1 312.410 1.991 10 0 DDAEMN CCCCC[C@@H](C)NC(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246806453 408343913 /nfs/dbraw/zinc/34/39/13/408343913.db2.gz BMDMJIMBKFZIBQ-TZMCWYRMSA-N 0 1 323.441 1.571 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)c(F)c1 ZINC000246810559 408344782 /nfs/dbraw/zinc/34/47/82/408344782.db2.gz CBUVSWWUHJSOFJ-OLZOCXBDSA-N 0 1 312.410 1.991 10 0 DDAEMN COc1ccc(OC)c(NC(=O)[C@H]2CCc3[nH]nnc3C2)c1 ZINC000170240316 162185301 /nfs/dbraw/zinc/18/53/01/162185301.db2.gz LNUPSMAPNUQNTJ-VIFPVBQESA-N 0 1 302.334 1.566 10 0 DDAEMN COc1ccc(OC)c(NC(=O)[C@H]2CCc3nn[nH]c3C2)c1 ZINC000170240316 162185303 /nfs/dbraw/zinc/18/53/03/162185303.db2.gz LNUPSMAPNUQNTJ-VIFPVBQESA-N 0 1 302.334 1.566 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171485448 162222683 /nfs/dbraw/zinc/22/26/83/162222683.db2.gz QJOJAPSXZIFSCK-ZIAGYGMSSA-N 0 1 319.453 1.707 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccccc2)CCN1C[C@H](C)O ZINC000246880143 408357965 /nfs/dbraw/zinc/35/79/65/408357965.db2.gz OLNABMFJJDCDTP-LSDHHAIUSA-N 0 1 306.406 1.369 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)N3CCC(C)CC3)CCO2)n[nH]1 ZINC000173354707 162333670 /nfs/dbraw/zinc/33/36/70/162333670.db2.gz CFZZRBNWQIKNHY-GXTWGEPZSA-N 0 1 321.425 1.133 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)CCN1C[C@H](C)O ZINC000246953430 408373983 /nfs/dbraw/zinc/37/39/83/408373983.db2.gz SHFCVRLNGGDCHY-DOTOQJQBSA-N 0 1 304.434 1.841 10 0 DDAEMN CC(C)CN(C(=O)CN1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000173991396 162385090 /nfs/dbraw/zinc/38/50/90/162385090.db2.gz ZFKITCCUGLRODO-MRXNPFEDSA-N 0 1 309.454 1.040 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2nccn2-c2ccccc2)C[C@H]1C ZINC000191336079 408407862 /nfs/dbraw/zinc/40/78/62/408407862.db2.gz KOTHVDKCLKFMBR-HZPDHXFCSA-N 0 1 314.433 1.759 10 0 DDAEMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000247223868 408431692 /nfs/dbraw/zinc/43/16/92/408431692.db2.gz WJNFZMCRGOJUEP-YVSFHVDLSA-N 0 1 323.481 1.286 10 0 DDAEMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000247223868 408431698 /nfs/dbraw/zinc/43/16/98/408431698.db2.gz WJNFZMCRGOJUEP-YVSFHVDLSA-N 0 1 323.481 1.286 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1C[C@@H](O)COc1ccccc1F ZINC000248039451 408527785 /nfs/dbraw/zinc/52/77/85/408527785.db2.gz VKDIKGZDSWYPEN-TZMCWYRMSA-N 0 1 310.369 1.118 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCN1C[C@H](C)O ZINC000248876607 408651256 /nfs/dbraw/zinc/65/12/56/408651256.db2.gz CVZYTAWJORAMCU-WCQYABFASA-N 0 1 306.410 1.204 10 0 DDAEMN Cc1ccccc1OC[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177769743 408707735 /nfs/dbraw/zinc/70/77/35/408707735.db2.gz ZCUKYCVFTJNCKQ-IAGOWNOFSA-N 0 1 304.434 1.905 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC)cc2)C1 ZINC000194152315 408768381 /nfs/dbraw/zinc/76/83/81/408768381.db2.gz SYPNCFXIFJSBGN-ZDUSSCGKSA-N 0 1 321.446 1.948 10 0 DDAEMN CN(C)C(=O)[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1CO ZINC000253396300 408813904 /nfs/dbraw/zinc/81/39/04/408813904.db2.gz AYXHZDVWUWCMNJ-WDEREUQCSA-N 0 1 314.788 1.608 10 0 DDAEMN OC[C@H]1C[C@@H](O)C[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000185157908 408772072 /nfs/dbraw/zinc/77/20/72/408772072.db2.gz JTMKEOCBKLPLJT-CHWSQXEVSA-N 0 1 319.323 1.902 10 0 DDAEMN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249925569 408772139 /nfs/dbraw/zinc/77/21/39/408772139.db2.gz ZRMMDSIMUONLCN-OLZOCXBDSA-N 0 1 319.409 1.050 10 0 DDAEMN CCOCCN1CCN(C(=O)C2CCC(O)CC2)C[C@@H]1CC ZINC000194323349 408777886 /nfs/dbraw/zinc/77/78/86/408777886.db2.gz WKOHFLSUCJFBJP-PCKAHOCUSA-N 0 1 312.454 1.497 10 0 DDAEMN CCS(=O)(=O)CCCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190557748 163145814 /nfs/dbraw/zinc/14/58/14/163145814.db2.gz NIDZRPGDOGRGOY-GJZGRUSLSA-N 0 1 302.484 1.760 10 0 DDAEMN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000191925334 163209511 /nfs/dbraw/zinc/20/95/11/163209511.db2.gz SFIJEKSARCXKOW-GOEBONIOSA-N 0 1 310.438 1.372 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(c3nncn3C)CC2)C1 ZINC000194177204 163276734 /nfs/dbraw/zinc/27/67/34/163276734.db2.gz ZBXHZBRUQSEWEM-CQSZACIVSA-N 0 1 320.441 1.188 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)CCCCCC(=O)OC)C1 ZINC000189419990 222043919 /nfs/dbraw/zinc/04/39/19/222043919.db2.gz UYNGDOVHHSECIM-ZDUSSCGKSA-N 0 1 320.455 1.124 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)CCc2cccs2)C1 ZINC000195355664 222199943 /nfs/dbraw/zinc/19/99/43/222199943.db2.gz DYAZOBIAHQEUSW-LBPRGKRZSA-N 0 1 302.465 1.694 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)CCc2cccs2)C1 ZINC000195355664 222199946 /nfs/dbraw/zinc/19/99/46/222199946.db2.gz DYAZOBIAHQEUSW-LBPRGKRZSA-N 0 1 302.465 1.694 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H](C)c1cccs1 ZINC000171699744 263345884 /nfs/dbraw/zinc/34/58/84/263345884.db2.gz ABVQBCVMMHCICB-CHWSQXEVSA-N 0 1 310.467 1.744 10 0 DDAEMN CC[C@@H](O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 ZINC000153309893 273724954 /nfs/dbraw/zinc/72/49/54/273724954.db2.gz KGAZIUHGJPNHPK-CQSZACIVSA-N 0 1 308.426 1.404 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000247011140 279306579 /nfs/dbraw/zinc/30/65/79/279306579.db2.gz CEQLGAXNJJMBTB-PMPSAXMXSA-N 0 1 313.486 1.407 10 0 DDAEMN CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000129923184 279559127 /nfs/dbraw/zinc/55/91/27/279559127.db2.gz KVMJREUPCGBMEC-GDBMZVCRSA-N 0 1 320.433 1.865 10 0 DDAEMN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000078684556 280986983 /nfs/dbraw/zinc/98/69/83/280986983.db2.gz AEYQTIUTPXRNAG-STQMWFEESA-N 0 1 322.405 1.650 10 0 DDAEMN Cc1ccc(F)cc1NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000105933106 281051794 /nfs/dbraw/zinc/05/17/94/281051794.db2.gz OMFFKIJFGUUBKA-GXTWGEPZSA-N 0 1 309.385 1.381 10 0 DDAEMN Cc1cnn(CCNC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000118051410 281692689 /nfs/dbraw/zinc/69/26/89/281692689.db2.gz OBNPFQGJLVZKHA-ZDUSSCGKSA-N 0 1 321.450 1.855 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)[nH]1 ZINC000171804027 293329910 /nfs/dbraw/zinc/32/99/10/293329910.db2.gz XDNIFBROGPAIEE-OCCSQVGLSA-N 0 1 313.361 1.661 10 0 DDAEMN Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cnccc2C)n[nH]1 ZINC000333710926 293387048 /nfs/dbraw/zinc/38/70/48/293387048.db2.gz PVMVMSWFPHMLQN-GFCCVEGCSA-N 0 1 321.406 1.732 10 0 DDAEMN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000170873610 298223897 /nfs/dbraw/zinc/22/38/97/298223897.db2.gz CMRXOKKUZQGJEZ-NSHDSACASA-N 0 1 302.827 1.973 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000154703500 522033369 /nfs/dbraw/zinc/03/33/69/522033369.db2.gz CGIWKFLUGAXQIR-FUHWJXTLSA-N 0 1 302.418 1.798 10 0 DDAEMN CCN1CCN(c2cc(CNc3cncc(C)n3)ccn2)CC1 ZINC000302204815 529152540 /nfs/dbraw/zinc/15/25/40/529152540.db2.gz CRUGLVAVKPMMJN-UHFFFAOYSA-N 0 1 312.421 1.934 10 0 DDAEMN CC[C@@H]1CN(Cc2ncc(Cl)n2C)CC[N@H+]1C[C@@H](C)O ZINC000105825897 696624998 /nfs/dbraw/zinc/62/49/98/696624998.db2.gz MYJPWPCIVYSWDD-VXGBXAGGSA-N 0 1 300.834 1.351 10 0 DDAEMN CC(=O)N[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1 ZINC000181434948 697460702 /nfs/dbraw/zinc/46/07/02/697460702.db2.gz GAPPFXAWLIIZMN-INIZCTEOSA-N 0 1 304.390 1.720 10 0 DDAEMN CC(=O)N[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1 ZINC000181434929 697460799 /nfs/dbraw/zinc/46/07/99/697460799.db2.gz GAPPFXAWLIIZMN-MRXNPFEDSA-N 0 1 304.390 1.720 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555720 697757707 /nfs/dbraw/zinc/75/77/07/697757707.db2.gz WYRXLWGVRXMSNV-GDBMZVCRSA-N 0 1 313.401 1.250 10 0 DDAEMN CCC/C=C\[C@@H](C(=O)[O-])[N@H+]1CCCN(c2ncccn2)CC1 ZINC000229793356 697779601 /nfs/dbraw/zinc/77/96/01/697779601.db2.gz MSFGVOZSYMVACK-ZBKLQPJUSA-N 0 1 304.394 1.798 10 0 DDAEMN CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262098141 698454531 /nfs/dbraw/zinc/45/45/31/698454531.db2.gz DNSSPRMSSLIWEO-GMTAPVOTSA-N 0 1 322.327 1.582 10 0 DDAEMN COC[C@H](N)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000262289944 698463165 /nfs/dbraw/zinc/46/31/65/698463165.db2.gz MXPQQCUMSUNANF-NSHDSACASA-N 0 1 306.284 1.174 10 0 DDAEMN CCc1ccccc1CC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263424383 698506365 /nfs/dbraw/zinc/50/63/65/698506365.db2.gz LXGJTYPSHCXLEQ-UHFFFAOYSA-N 0 1 318.417 1.845 10 0 DDAEMN COc1ccc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cn1 ZINC000263529372 698512238 /nfs/dbraw/zinc/51/22/38/698512238.db2.gz VQCGWTPQJVZIQY-UHFFFAOYSA-N 0 1 319.405 1.507 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(C)nc(COC)n2)C1 ZINC000263560046 698513617 /nfs/dbraw/zinc/51/36/17/698513617.db2.gz QTUCJAHUUNVESV-UHFFFAOYSA-N 0 1 308.382 1.281 10 0 DDAEMN CCn1cnnc1[C@@H]1CN(C(=O)[C@@H]2CCN2C(C)(C)C)CCO1 ZINC000897471613 708343707 /nfs/dbraw/zinc/34/37/07/708343707.db2.gz PITODQOJTFLQPE-STQMWFEESA-N 0 1 321.425 1.071 10 0 DDAEMN C[C@@H]1CNC[C@H](c2nc(CCn3nnc4ccccc43)no2)O1 ZINC000888078355 709210095 /nfs/dbraw/zinc/21/00/95/709210095.db2.gz LCXAGWRZYFJRJX-ZWNOBZJWSA-N 0 1 314.349 1.106 10 0 DDAEMN CC(C(=O)NC[C@H]1C[C@H](c2nc(C)n[nH]2)C[C@H]1O)=C1CCCC1 ZINC000888098215 709213061 /nfs/dbraw/zinc/21/30/61/709213061.db2.gz HKATVWISGDZGEM-RRFJBIMHSA-N 0 1 318.421 1.974 10 0 DDAEMN CC(C(=O)NC[C@H]1C[C@H](c2nnc(C)[nH]2)C[C@H]1O)=C1CCCC1 ZINC000888098215 709213062 /nfs/dbraw/zinc/21/30/62/709213062.db2.gz HKATVWISGDZGEM-RRFJBIMHSA-N 0 1 318.421 1.974 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248482378 282087119 /nfs/dbraw/zinc/08/71/19/282087119.db2.gz ITLLLAJPRAIHTB-KBPBESRZSA-N 0 1 321.421 1.540 10 0 DDAEMN COc1ccc([C@H]([NH3+])CSc2nccc(=O)[n-]2)c(OC)c1 ZINC000081775076 192323150 /nfs/dbraw/zinc/32/31/50/192323150.db2.gz HUYJOCRRZXPPRU-LLVKDONJSA-N 0 1 307.375 1.992 10 0 DDAEMN C[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccc2c(c1)OCCCO2 ZINC000081901504 192335030 /nfs/dbraw/zinc/33/50/30/192335030.db2.gz DBAYRJZMQLLPGB-NWDGAFQWSA-N 0 1 313.419 1.932 10 0 DDAEMN COc1ccc(CN(C)C)cc1N[C@@H](C)CS(C)(=O)=O ZINC000081899670 192335040 /nfs/dbraw/zinc/33/50/40/192335040.db2.gz GUYLQODQFGAENX-NSHDSACASA-N 0 1 300.424 1.602 10 0 DDAEMN CCC[C@@H]1CCCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC1 ZINC000079340473 185165877 /nfs/dbraw/zinc/16/58/77/185165877.db2.gz ORGFFVQWXCWXCP-OLZOCXBDSA-N 0 1 304.456 1.177 10 0 DDAEMN CCc1nn(C)cc1CN1CCCN(c2ccc(C)nn2)CC1 ZINC000180078609 539235322 /nfs/dbraw/zinc/23/53/22/539235322.db2.gz GQXAYBSQRBBIDY-UHFFFAOYSA-N 0 1 314.437 1.793 10 0 DDAEMN CNCc1ncnn1Cc1cc(OC)ccc1Br ZINC000088628708 185260146 /nfs/dbraw/zinc/26/01/46/185260146.db2.gz AILNYOUFOZDFKN-UHFFFAOYSA-N 0 1 311.183 1.817 10 0 DDAEMN COCCC[S@@](=O)C[C@H](N)c1ccc(OC)cc1OC ZINC000081998137 192352768 /nfs/dbraw/zinc/35/27/68/192352768.db2.gz ANIRVTKGNUEVSV-RBZFPXEDSA-N 0 1 301.408 1.489 10 0 DDAEMN CCC[N@H+](Cc1nccn1C(F)F)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090525031 185300408 /nfs/dbraw/zinc/30/04/08/185300408.db2.gz UMVDBRIJJKJEPR-VHSXEESVSA-N 0 1 303.309 1.590 10 0 DDAEMN CCC[N@@H+](Cc1nccn1C(F)F)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090525031 185300409 /nfs/dbraw/zinc/30/04/09/185300409.db2.gz UMVDBRIJJKJEPR-VHSXEESVSA-N 0 1 303.309 1.590 10 0 DDAEMN C[N@H+]1CCC[C@H](n2c(SCC(=O)[O-])nc3cccnc32)C1 ZINC000092532040 185324436 /nfs/dbraw/zinc/32/44/36/185324436.db2.gz SXFDYKROKIZBRR-JTQLQIEISA-N 0 1 306.391 1.875 10 0 DDAEMN CCN1CCC[C@H]1CN(C)c1ccc(S(C)(=O)=O)cc1N ZINC000092624151 185329610 /nfs/dbraw/zinc/32/96/10/185329610.db2.gz DEPRKGRVMLHDPU-LBPRGKRZSA-N 0 1 311.451 1.593 10 0 DDAEMN O=C(Nc1ccc(Br)cn1)[C@H]1Cc2nc[nH]c2CN1 ZINC000092779742 185340571 /nfs/dbraw/zinc/34/05/71/185340571.db2.gz AHAITJYIYAXFAC-SECBINFHSA-N 0 1 322.166 1.220 10 0 DDAEMN CCn1cnc(S(=O)(=O)Nc2ccc(N)cc2Cl)c1 ZINC000092889875 185347925 /nfs/dbraw/zinc/34/79/25/185347925.db2.gz ADABJYHODBKTPS-UHFFFAOYSA-N 0 1 300.771 1.939 10 0 DDAEMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000092939779 185350052 /nfs/dbraw/zinc/35/00/52/185350052.db2.gz ZEGMCCVOLZHFJD-CMPLNLGQSA-N 0 1 310.781 1.751 10 0 DDAEMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000092940878 185350236 /nfs/dbraw/zinc/35/02/36/185350236.db2.gz QQLBMSZDXUCKFT-MWLCHTKSSA-N 0 1 311.407 1.069 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCO[C@H](c2c[nH]nn2)C1 ZINC000616681725 362779237 /nfs/dbraw/zinc/77/92/37/362779237.db2.gz UVVNQXOZHCPGIH-LBPRGKRZSA-N 0 1 311.386 1.093 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2F)n[nH]1 ZINC000080526987 192165016 /nfs/dbraw/zinc/16/50/16/192165016.db2.gz QSRGBYWDEXLUQY-UHFFFAOYSA-N 0 1 302.306 1.212 10 0 DDAEMN O=C(Oc1ccccc1)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000144980142 186036668 /nfs/dbraw/zinc/03/66/68/186036668.db2.gz UOFCPCXUZGCBAV-UHFFFAOYSA-N 0 1 324.344 1.674 10 0 DDAEMN C[C@H](CCC1CCCCC1)NC(=O)[C@H](N)CCS(C)(=O)=O ZINC000237442150 186289289 /nfs/dbraw/zinc/28/92/89/186289289.db2.gz VVJBYAMBHAWHQE-TZMCWYRMSA-N 0 1 318.483 1.614 10 0 DDAEMN COC(=O)c1ccccc1OCCN1CCC[C@@H]1C(=O)N(C)C ZINC000182041797 199378625 /nfs/dbraw/zinc/37/86/25/199378625.db2.gz SYFNBJZLVOJZDU-CQSZACIVSA-N 0 1 320.389 1.405 10 0 DDAEMN O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000172399156 198090829 /nfs/dbraw/zinc/09/08/29/198090829.db2.gz CXXLIWSIBOHJSG-NSHDSACASA-N 0 1 300.366 1.431 10 0 DDAEMN COC(=O)c1c(C)nc(C)c2c1ccn(-c1nc(C)n[nH]1)c2=O ZINC000072452161 191171387 /nfs/dbraw/zinc/17/13/87/191171387.db2.gz XCJZIXXRDMYMET-UHFFFAOYSA-N 0 1 313.317 1.216 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccccc3C)CCO2)n[nH]1 ZINC000173582708 198229850 /nfs/dbraw/zinc/22/98/50/198229850.db2.gz SRSXWXZVTVDXNB-ZDUSSCGKSA-N 0 1 300.362 1.889 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000173883044 198263707 /nfs/dbraw/zinc/26/37/07/198263707.db2.gz SUMZKJWSPZGHMN-FZMZJTMJSA-N 0 1 300.399 1.833 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)[C@@H]1[NH3+] ZINC000095934411 353913545 /nfs/dbraw/zinc/91/35/45/353913545.db2.gz RUAXIWPBNOJHME-VWYCJHECSA-N 0 1 312.391 1.432 10 0 DDAEMN NC(=O)c1cnc(Nc2ccc3cn[nH]c3c2)nc1NC1CC1 ZINC000114481899 353980941 /nfs/dbraw/zinc/98/09/41/353980941.db2.gz NNOYIZJBDKGRNN-UHFFFAOYSA-N 0 1 309.333 1.770 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCc2ccccn2)CCN1CCOC ZINC000117301425 353993249 /nfs/dbraw/zinc/99/32/49/353993249.db2.gz QFPVEQJRWCUFSR-KRWDZBQOSA-N 0 1 319.449 1.974 10 0 DDAEMN O=c1[nH]cnc(NCC2CCC2)c1I ZINC000162148973 354244992 /nfs/dbraw/zinc/24/49/92/354244992.db2.gz VTJHELJMCYRQPY-UHFFFAOYSA-N 0 1 305.119 1.587 10 0 DDAEMN CCN(CC(=O)N1CCN(CC)[C@@H](c2nccn2C)C1)C1CC1 ZINC000328643355 354558349 /nfs/dbraw/zinc/55/83/49/354558349.db2.gz YURUDTONSMDRCS-OAHLLOKOSA-N 0 1 319.453 1.110 10 0 DDAEMN COCCNCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000237248738 202205441 /nfs/dbraw/zinc/20/54/41/202205441.db2.gz FVCFQSLQROZYPJ-UHFFFAOYSA-N 0 1 317.345 1.706 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)NCc1ccc(OC)cc1)N(C)C ZINC000179629160 199066450 /nfs/dbraw/zinc/06/64/50/199066450.db2.gz YGUWFUWXRXIHML-HNNXBMFYSA-N 0 1 321.421 1.158 10 0 DDAEMN CN(c1cccnn1)C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189139341 200354936 /nfs/dbraw/zinc/35/49/36/200354936.db2.gz DJKLHLHZUKLAMD-GFCCVEGCSA-N 0 1 318.343 1.691 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)c1ccc(Br)nc1 ZINC000091447013 193057263 /nfs/dbraw/zinc/05/72/63/193057263.db2.gz QAPBLLGQJIHYMK-NSHDSACASA-N 0 1 310.195 1.668 10 0 DDAEMN CSC1(C(N)=S)CCN(CC(=O)NC(C)(C)C)CC1 ZINC000091489045 193062820 /nfs/dbraw/zinc/06/28/20/193062820.db2.gz OERHRGJXQRHKMJ-UHFFFAOYSA-N 0 1 303.497 1.385 10 0 DDAEMN CNC(=O)[C@@H]1CCCN1Cc1cccc(OCCCOC)c1 ZINC000092100209 193158319 /nfs/dbraw/zinc/15/83/19/193158319.db2.gz GMQTZSHHTUSITM-INIZCTEOSA-N 0 1 306.406 1.812 10 0 DDAEMN NC(=S)CN1CCN(C[C@H]2Cc3ccccc3S2)CC1 ZINC000092261116 193181878 /nfs/dbraw/zinc/18/18/78/193181878.db2.gz UQVQBBYYEGOKLE-CYBMUJFWSA-N 0 1 307.488 1.607 10 0 DDAEMN CC[C@@H](C)CN(CC)S(=O)(=O)c1c(C)n[nH]c1CNC ZINC000093265779 193222315 /nfs/dbraw/zinc/22/23/15/193222315.db2.gz JXMXJASBVKRSIZ-SNVBAGLBSA-N 0 1 302.444 1.494 10 0 DDAEMN COC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1nc(C)cc(=O)[n-]1 ZINC000093629322 193276894 /nfs/dbraw/zinc/27/68/94/193276894.db2.gz GHRIGEDMCLTQHD-HZMBPMFUSA-N 0 1 311.407 1.231 10 0 DDAEMN O=C1CC[C@@H](NCc2cc(F)cc(Br)c2)C(=O)N1 ZINC000093982550 193334275 /nfs/dbraw/zinc/33/42/75/193334275.db2.gz GOTAVERHUBNSCU-SNVBAGLBSA-N 0 1 315.142 1.483 10 0 DDAEMN CN(CCS(C)(=O)=O)c1nc(CNC(C)(C)C)cs1 ZINC000094301428 193358690 /nfs/dbraw/zinc/35/86/90/193358690.db2.gz VNNSGNSFHFKFNW-UHFFFAOYSA-N 0 1 305.469 1.512 10 0 DDAEMN CC[C@@H]1CN2CCCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094433325 193370341 /nfs/dbraw/zinc/37/03/41/193370341.db2.gz FYQDXOFATMXVSO-UKRRQHHQSA-N 0 1 300.468 1.512 10 0 DDAEMN COC(=O)[C@H]1CS[C@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000022860849 182337464 /nfs/dbraw/zinc/33/74/64/182337464.db2.gz NONQXKSFECDTES-ZBFHGGJFSA-N 0 1 306.431 1.857 10 0 DDAEMN O=C([C@H]1CCCN1Cc1ccc(Cl)nc1)N1CCNCC1 ZINC000040508443 183086071 /nfs/dbraw/zinc/08/60/71/183086071.db2.gz YJDCTYHJRRUOEN-CYBMUJFWSA-N 0 1 308.813 1.131 10 0 DDAEMN COc1cc(OC)c([C@@H](N)[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000043300088 183352220 /nfs/dbraw/zinc/35/22/20/183352220.db2.gz NJYNOZFTRVHQNS-XPTSAGLGSA-N 0 1 315.391 1.147 10 0 DDAEMN COc1ccc(O)c(C(=O)Nc2nc3c(s2)CNCC3)c1 ZINC000043327872 183355521 /nfs/dbraw/zinc/35/55/21/183355521.db2.gz VMGNRXVQAAXEID-UHFFFAOYSA-N 0 1 305.359 1.755 10 0 DDAEMN COCCn1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000105031136 194066124 /nfs/dbraw/zinc/06/61/24/194066124.db2.gz HTXNFFWJOQDJLN-CYBMUJFWSA-N 0 1 307.398 1.232 10 0 DDAEMN O=C(NCc1cccc2c1OCO2)N1CCN2CCCC[C@@H]2C1 ZINC000105173224 194082141 /nfs/dbraw/zinc/08/21/41/194082141.db2.gz FXHRYVPCULUBTP-CQSZACIVSA-N 0 1 317.389 1.795 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805379 194133221 /nfs/dbraw/zinc/13/32/21/194133221.db2.gz HJNMVFGQGOSOEG-CYBMUJFWSA-N 0 1 305.426 1.610 10 0 DDAEMN CCOCCN1CCN(Cc2nccn2C(F)F)C[C@@H]1C ZINC000105835124 194141529 /nfs/dbraw/zinc/14/15/29/194141529.db2.gz VLMWLGJYLITISS-LBPRGKRZSA-N 0 1 302.369 1.821 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000105833224 194142241 /nfs/dbraw/zinc/14/22/41/194142241.db2.gz MWIDTHYIFGSDAV-HOTGVXAUSA-N 0 1 308.422 1.079 10 0 DDAEMN COCCN1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1C ZINC000105913772 194169124 /nfs/dbraw/zinc/16/91/24/194169124.db2.gz YBDALZFOMPQHGY-GFCCVEGCSA-N 0 1 322.434 1.951 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105932726 194173535 /nfs/dbraw/zinc/17/35/35/194173535.db2.gz BVANXKADGWRJJC-HUUCEWRRSA-N 0 1 305.422 1.551 10 0 DDAEMN CSc1cccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000105932826 194173552 /nfs/dbraw/zinc/17/35/52/194173552.db2.gz AMZDYPKNWWEVQW-GXTWGEPZSA-N 0 1 323.462 1.656 10 0 DDAEMN Cc1ccc(CC(=O)N2CCN([C@H](C)C(N)=S)CC2)cc1 ZINC000109458917 194265806 /nfs/dbraw/zinc/26/58/06/194265806.db2.gz CCPSJNAEXCMQBQ-CYBMUJFWSA-N 0 1 305.447 1.356 10 0 DDAEMN Cc1ccc(S(=O)(=O)N(C)CCN(C)C)c2c1NCCC2 ZINC000111139475 194394334 /nfs/dbraw/zinc/39/43/34/194394334.db2.gz AQBKNABJRYEAKU-UHFFFAOYSA-N 0 1 311.451 1.535 10 0 DDAEMN CN(C)CCCNC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000059244883 184136117 /nfs/dbraw/zinc/13/61/17/184136117.db2.gz ZIBHSZCVFSUNSJ-UHFFFAOYSA-N 0 1 312.435 1.059 10 0 DDAEMN CCn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c(N)n1 ZINC000061098851 184161878 /nfs/dbraw/zinc/16/18/78/184161878.db2.gz CHZNOTDCHLGBMZ-UHFFFAOYSA-N 0 1 320.296 1.703 10 0 DDAEMN O=S(=O)(C[C@H]1CCCC[NH2+]1)[N-]c1cc(F)c(F)cc1F ZINC000061094750 184161883 /nfs/dbraw/zinc/16/18/83/184161883.db2.gz ZBAKWYJDFAGLTL-MRVPVSSYSA-N 0 1 308.325 1.988 10 0 DDAEMN CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)[C@@H](C)CC(=O)[O-] ZINC000061183364 184165160 /nfs/dbraw/zinc/16/51/60/184165160.db2.gz CJMWUUZXTBYYSY-VIFPVBQESA-N 0 1 310.379 1.145 10 0 DDAEMN CC(C)[N@@H+](C)CCNC(=O)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000061827876 184188799 /nfs/dbraw/zinc/18/87/99/184188799.db2.gz HATFKYONDHKARM-UHFFFAOYSA-N 0 1 301.387 1.043 10 0 DDAEMN CC(C)C[N@H+](CC(=O)[O-])CC(=O)N1CCc2sccc2C1 ZINC000062743051 184251788 /nfs/dbraw/zinc/25/17/88/184251788.db2.gz IHTPMIUGFKZBCU-UHFFFAOYSA-N 0 1 310.419 1.675 10 0 DDAEMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)N1CCc2sccc2C1 ZINC000062743051 184251790 /nfs/dbraw/zinc/25/17/90/184251790.db2.gz IHTPMIUGFKZBCU-UHFFFAOYSA-N 0 1 310.419 1.675 10 0 DDAEMN CC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752810 184252764 /nfs/dbraw/zinc/25/27/64/184252764.db2.gz WHZOIOIZUJIMMN-FVCCEPFGSA-N 0 1 303.424 1.385 10 0 DDAEMN Nc1cn[nH]c1C(=O)NCc1cc(F)ccc1Br ZINC000062811814 184254398 /nfs/dbraw/zinc/25/43/98/184254398.db2.gz KBXMFRCPWFVRTI-UHFFFAOYSA-N 0 1 313.130 1.824 10 0 DDAEMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000062877020 184257747 /nfs/dbraw/zinc/25/77/47/184257747.db2.gz TURSFQDFNMIHBF-AWEZNQCLSA-N 0 1 307.375 1.443 10 0 DDAEMN Cc1c(N)cccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062975731 184264377 /nfs/dbraw/zinc/26/43/77/184264377.db2.gz UWDCZBHIOWTYCN-ZDUSSCGKSA-N 0 1 309.435 1.436 10 0 DDAEMN CCN(CC)C(=O)c1cccc(NC(=O)CNCCOC)c1 ZINC000066224572 184397648 /nfs/dbraw/zinc/39/76/48/184397648.db2.gz JKRQUHRKUPGXQO-UHFFFAOYSA-N 0 1 307.394 1.343 10 0 DDAEMN COCCN1CCN(Cc2ccc(OC)c(OC)c2)C[C@H]1C ZINC000120830995 195246868 /nfs/dbraw/zinc/24/68/68/195246868.db2.gz ALXZTKOWQUMIBG-CQSZACIVSA-N 0 1 308.422 1.856 10 0 DDAEMN Cc1nc([C@@H]2C[C@H]3CCN(C(=O)c4ccco4)C[C@@H]3O2)n[nH]1 ZINC000248038758 257110744 /nfs/dbraw/zinc/11/07/44/257110744.db2.gz OAINVYDTHWWRJH-WXHSDQCUSA-N 0 1 302.334 1.698 10 0 DDAEMN CN(C)CC(=O)N1CC[C@@H]2OCC[C@]2(COc2ccccn2)C1 ZINC000247980409 257112948 /nfs/dbraw/zinc/11/29/48/257112948.db2.gz JKNBFCTYLZIGRX-WMLDXEAASA-N 0 1 319.405 1.030 10 0 DDAEMN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3ccsc3)C[C@@H]2O1 ZINC000247835844 257116153 /nfs/dbraw/zinc/11/61/53/257116153.db2.gz JGMMNAZLISVLSJ-ILXRZTDVSA-N 0 1 324.446 1.490 10 0 DDAEMN CN(CC(=O)NC1CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802894 407355711 /nfs/dbraw/zinc/35/57/11/407355711.db2.gz MTGOZRYOAQWLSV-HNNXBMFYSA-N 0 1 317.437 1.436 10 0 DDAEMN CC1CCC(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000105882727 407356464 /nfs/dbraw/zinc/35/64/64/407356464.db2.gz UJGOXJZSEMHZPM-HWOWSKLDSA-N 0 1 319.453 1.685 10 0 DDAEMN NC(=O)c1csc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128479615 407541744 /nfs/dbraw/zinc/54/17/44/407541744.db2.gz CSVORGPFHPCTSN-LLVKDONJSA-N 0 1 305.407 1.351 10 0 DDAEMN CCOCCN1CCN(C(=O)c2cccc(N)c2)C[C@H]1CC ZINC000178777518 407599589 /nfs/dbraw/zinc/59/95/89/407599589.db2.gz RZIXRBLQMOLGGE-MRXNPFEDSA-N 0 1 305.422 1.842 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@@H](C)C2CCOCC2)CCN1CCOC ZINC000152339602 407616180 /nfs/dbraw/zinc/61/61/80/407616180.db2.gz BUBHEAMQWPRDBH-HOCLYGCPSA-N 0 1 312.454 1.618 10 0 DDAEMN CCn1nccc1CN[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179011853 407690616 /nfs/dbraw/zinc/69/06/16/407690616.db2.gz PUCSTJOGBKBUGV-CQSZACIVSA-N 0 1 316.409 1.230 10 0 DDAEMN COCCN1CCN(Cc2cn3c(cccc3C)n2)C[C@H]1C ZINC000171570016 407706645 /nfs/dbraw/zinc/70/66/45/407706645.db2.gz ZNYFMZULEQDXIE-OAHLLOKOSA-N 0 1 302.422 1.795 10 0 DDAEMN O[C@H](CN1CCC[C@H](n2cncn2)C1)c1c(F)cccc1F ZINC000171619449 407720635 /nfs/dbraw/zinc/72/06/35/407720635.db2.gz JRUUZSJBNDJPCZ-SMDDNHRTSA-N 0 1 308.332 1.927 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000262223835 407770579 /nfs/dbraw/zinc/77/05/79/407770579.db2.gz PKXKEAWWHRMVQO-SNVBAGLBSA-N 0 1 310.404 1.602 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000262219189 407770294 /nfs/dbraw/zinc/77/02/94/407770294.db2.gz FOJDASHJORTLQQ-QGZVFWFLSA-N 0 1 314.385 1.952 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000262269052 407778630 /nfs/dbraw/zinc/77/86/30/407778630.db2.gz KEVLSUJKBDUXCF-CQSZACIVSA-N 0 1 307.394 1.261 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000262346113 407807533 /nfs/dbraw/zinc/80/75/33/407807533.db2.gz TZOGWNSNRRIMSF-AWEZNQCLSA-N 0 1 301.346 1.464 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(C)nc2)CCN1CCOC ZINC000117309385 407830937 /nfs/dbraw/zinc/83/09/37/407830937.db2.gz GSPKYGQFOQSIJI-INIZCTEOSA-N 0 1 305.422 1.502 10 0 DDAEMN COc1nc2[nH]nc(I)c2c(Cl)n1 ZINC000238377189 407899226 /nfs/dbraw/zinc/89/92/26/407899226.db2.gz MPAJPAWSIFZRJZ-UHFFFAOYSA-N 0 1 310.482 1.620 10 0 DDAEMN C[C@@H](C(=O)NCc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173946609 407904385 /nfs/dbraw/zinc/90/43/85/407904385.db2.gz FCIDIUZMCZZSEG-RDJZCZTQSA-N 0 1 317.433 1.098 10 0 DDAEMN Cc1ncc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)s1 ZINC000262701604 407904416 /nfs/dbraw/zinc/90/44/16/407904416.db2.gz IDXJMLGALWCDJT-UHFFFAOYSA-N 0 1 323.418 1.509 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)nc2C)C1 ZINC000262818829 407945874 /nfs/dbraw/zinc/94/58/74/407945874.db2.gz PIHQUPKDUAOKDB-UHFFFAOYSA-N 0 1 305.378 1.366 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000174534355 407961454 /nfs/dbraw/zinc/96/14/54/407961454.db2.gz AWOJCUNHUKAACV-WBVHZDCISA-N 0 1 301.434 1.816 10 0 DDAEMN C[N@@H+](CC(=O)[O-])C1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000262911108 407965582 /nfs/dbraw/zinc/96/55/82/407965582.db2.gz JRCGYPZQSCBYMR-UHFFFAOYSA-N 0 1 313.442 1.020 10 0 DDAEMN CCc1ncc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cn1 ZINC000119131334 407999450 /nfs/dbraw/zinc/99/94/50/407999450.db2.gz YTXVCAIHFMCREJ-LLVKDONJSA-N 0 1 317.353 1.071 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(N)=O)cs2)CCN1C[C@H](C)O ZINC000245723015 408052854 /nfs/dbraw/zinc/05/28/54/408052854.db2.gz IFHCBFIEENBCRT-WCQYABFASA-N 0 1 311.451 1.124 10 0 DDAEMN CCCCOC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000119218047 408014209 /nfs/dbraw/zinc/01/42/09/408014209.db2.gz STJBZZRMEYYQNJ-HNNXBMFYSA-N 0 1 322.453 1.660 10 0 DDAEMN CCC[C@H](C(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1)[NH+](C)C ZINC000245778893 408067779 /nfs/dbraw/zinc/06/77/79/408067779.db2.gz LXNKFYRDRXEWQG-JKSUJKDBSA-N 0 1 313.486 1.676 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(C[C@@H](O)CC)CC1 ZINC000182195357 408089151 /nfs/dbraw/zinc/08/91/51/408089151.db2.gz JLNJRMBKQREELV-GJZGRUSLSA-N 0 1 300.443 1.353 10 0 DDAEMN COCc1noc(CN2CC[C@@H](CNc3cccc(C)n3)C2)n1 ZINC000182329492 408129851 /nfs/dbraw/zinc/12/98/51/408129851.db2.gz ALLTUXHIHICTPJ-ZDUSSCGKSA-N 0 1 317.393 1.853 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ncc(Cl)s2)C1 ZINC000263454096 408143612 /nfs/dbraw/zinc/14/36/12/408143612.db2.gz AJRFJRKECLXXPE-UHFFFAOYSA-N 0 1 303.815 1.824 10 0 DDAEMN CCC[C@@H](C(=O)OCC)N1CCN(CCOCC)[C@@H](C)C1 ZINC000246672892 408314716 /nfs/dbraw/zinc/31/47/16/408314716.db2.gz GBTJTJCEIWUZDT-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](OCCO)C1)c1ccccc1 ZINC000246665861 408312944 /nfs/dbraw/zinc/31/29/44/408312944.db2.gz AWUGOKPXLMARFM-YQQAZPJKSA-N 0 1 320.433 1.726 10 0 DDAEMN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)NCc1cccnc1 ZINC000246820919 408348443 /nfs/dbraw/zinc/34/84/43/408348443.db2.gz JVKPJBJTHVZLGO-RDJZCZTQSA-N 0 1 303.406 1.325 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2C)CCN1C[C@H](C)O ZINC000246899152 408361733 /nfs/dbraw/zinc/36/17/33/408361733.db2.gz PJYJZPZQCLKZKO-DOTOQJQBSA-N 0 1 304.434 1.841 10 0 DDAEMN CCNC(=O)CCN1CCN(c2nc3ccccc3o2)CC1 ZINC000171559738 162226502 /nfs/dbraw/zinc/22/65/02/162226502.db2.gz YQUVRKCXYHGSCE-UHFFFAOYSA-N 0 1 302.378 1.476 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n[nH]1 ZINC000173405181 162337579 /nfs/dbraw/zinc/33/75/79/162337579.db2.gz HTDADMVUUYJWGV-LBPRGKRZSA-N 0 1 308.382 1.098 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)COc3ccccc3)CCO2)n[nH]1 ZINC000173537770 162347048 /nfs/dbraw/zinc/34/70/48/162347048.db2.gz JXYGPUSRHZQVKI-ZDUSSCGKSA-N 0 1 302.334 1.092 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000173540918 162347519 /nfs/dbraw/zinc/34/75/19/162347519.db2.gz FBIOZBLWJZFEBM-GFCCVEGCSA-N 0 1 306.753 1.980 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173549051 162347634 /nfs/dbraw/zinc/34/76/34/162347634.db2.gz UKEATRGFPPQHMD-CYBMUJFWSA-N 0 1 304.325 1.395 10 0 DDAEMN COc1ccc(OCCN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173673903 162356295 /nfs/dbraw/zinc/35/62/95/162356295.db2.gz KKZQUHLIRBPIHG-HNNXBMFYSA-N 0 1 318.377 1.574 10 0 DDAEMN CCOC(=O)[C@@H](CC)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000173692945 162357537 /nfs/dbraw/zinc/35/75/37/162357537.db2.gz MSOPGQVPHUITOQ-LSDHHAIUSA-N 0 1 308.426 1.949 10 0 DDAEMN CCCCC[C@@H](C)NC(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173683974 162358418 /nfs/dbraw/zinc/35/84/18/162358418.db2.gz BMDMJIMBKFZIBQ-OCCSQVGLSA-N 0 1 323.441 1.571 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(C)cc3O)CCO2)n[nH]1 ZINC000173754862 162361874 /nfs/dbraw/zinc/36/18/74/162361874.db2.gz ZIBKGFAOIXODQU-CYBMUJFWSA-N 0 1 302.334 1.341 10 0 DDAEMN C[C@H](C(=O)NCc1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173946624 162379285 /nfs/dbraw/zinc/37/92/85/162379285.db2.gz FCIDIUZMCZZSEG-WBVHZDCISA-N 0 1 317.433 1.098 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@H](O)C(C)C)n2)cc1 ZINC000158999724 408375820 /nfs/dbraw/zinc/37/58/20/408375820.db2.gz VYPGRHIAHNVVDL-ZDUSSCGKSA-N 0 1 318.377 1.504 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)C[C@H](O)C(C)C)n[nH]2)cc1 ZINC000158999724 408375827 /nfs/dbraw/zinc/37/58/27/408375827.db2.gz VYPGRHIAHNVVDL-ZDUSSCGKSA-N 0 1 318.377 1.504 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)[C@H]3CCCO3)CCO2)n[nH]1 ZINC000247325063 408452619 /nfs/dbraw/zinc/45/26/19/408452619.db2.gz WLQGXUYRYLZFHC-TUAOUCFPSA-N 0 1 323.397 1.018 10 0 DDAEMN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000247021206 408391066 /nfs/dbraw/zinc/39/10/66/408391066.db2.gz PECGFVZTVLTGCC-KGLIPLIRSA-N 0 1 311.426 1.454 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191346421 408410836 /nfs/dbraw/zinc/41/08/36/408410836.db2.gz MISXCKFCLJPZNS-QGZVFWFLSA-N 0 1 320.481 1.815 10 0 DDAEMN CC[C@H]1CN([C@@H](C(N)=O)c2ccccc2)CCN1CCOC ZINC000247151269 408418132 /nfs/dbraw/zinc/41/81/32/408418132.db2.gz LQYWPNQBISZEPF-JKSUJKDBSA-N 0 1 305.422 1.256 10 0 DDAEMN Cc1nn(C)c(Cl)c1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177223565 408555145 /nfs/dbraw/zinc/55/51/45/408555145.db2.gz VZRABJYGBQSTAH-BXUZGUMPSA-N 0 1 312.845 1.534 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248427464 408563842 /nfs/dbraw/zinc/56/38/42/408563842.db2.gz OSDLHQUPJXSTJF-PMPSAXMXSA-N 0 1 312.454 1.617 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3cc(C)ccn3)CCO2)n[nH]1 ZINC000184195044 408568261 /nfs/dbraw/zinc/56/82/61/408568261.db2.gz NNTUGMRJRRKBFN-NSHDSACASA-N 0 1 316.365 1.676 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](NC(=O)COc2ccc(C=O)cc2)[C@@H](C)C1 ZINC000161415101 408600871 /nfs/dbraw/zinc/60/08/71/408600871.db2.gz KTUBJPPLMOQYOT-BBRMVZONSA-N 0 1 304.390 1.723 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248832326 408642561 /nfs/dbraw/zinc/64/25/61/408642561.db2.gz ISFVIOYCHUKKIH-MELADBBJSA-N 0 1 300.443 1.494 10 0 DDAEMN CC(C)N(C)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000248899218 408656520 /nfs/dbraw/zinc/65/65/20/408656520.db2.gz UZPMVLMIBUXXAB-QGZVFWFLSA-N 0 1 318.465 1.833 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000187445846 163020201 /nfs/dbraw/zinc/02/02/01/163020201.db2.gz NGCRARKPSREBSU-JOYOIKCWSA-N 0 1 320.393 1.841 10 0 DDAEMN CN(CC1CC1)C(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188108931 163041981 /nfs/dbraw/zinc/04/19/81/163041981.db2.gz LFDYHCLKCLUMSM-GJZGRUSLSA-N 0 1 308.447 1.624 10 0 DDAEMN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000191671073 163196755 /nfs/dbraw/zinc/19/67/55/163196755.db2.gz UQKJRKMTTFFONR-ZFWWWQNUSA-N 0 1 318.421 1.587 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)cn1 ZINC000191764555 163200646 /nfs/dbraw/zinc/20/06/46/163200646.db2.gz HNAXPZBORKDUPN-INIZCTEOSA-N 0 1 320.437 1.535 10 0 DDAEMN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000195447324 163322734 /nfs/dbraw/zinc/32/27/34/163322734.db2.gz OFUCCWMSZVYZPW-HZPDHXFCSA-N 0 1 319.449 1.332 10 0 DDAEMN COCCCNC(=O)[C@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195504850 163324937 /nfs/dbraw/zinc/32/49/37/163324937.db2.gz JMGFMPRYZZWRMV-ZDUSSCGKSA-N 0 1 308.426 1.141 10 0 DDAEMN Cc1nc(C[C@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)no1 ZINC000195518207 163328385 /nfs/dbraw/zinc/32/83/85/163328385.db2.gz AHUYIRCBIQKBQJ-CQSZACIVSA-N 0 1 314.389 1.932 10 0 DDAEMN CCN(CC)S(=O)(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000295184731 409361387 /nfs/dbraw/zinc/36/13/87/409361387.db2.gz JQJSZKNUQMKXCL-UHFFFAOYSA-N 0 1 313.358 1.609 10 0 DDAEMN COCc1cc(N2CCN([C@@H](C)CO)CC2)nc(C(C)(C)C)n1 ZINC000301776404 410793519 /nfs/dbraw/zinc/79/35/19/410793519.db2.gz GTDPBKGHRKBCSH-ZDUSSCGKSA-N 0 1 322.453 1.423 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2ncccc2C)CCN1C[C@@H](C)O ZINC000492556609 420591206 /nfs/dbraw/zinc/59/12/06/420591206.db2.gz ZMTDGTJJAGQUNP-ZJBFNYKTSA-N 0 1 317.433 1.707 10 0 DDAEMN Cn1cc(O[C@@H]2CN(CCc3cccc(Cl)c3)C[C@H]2O)cn1 ZINC000628376503 422157665 /nfs/dbraw/zinc/15/76/65/422157665.db2.gz YQSGAEKBRZLNDL-HZPDHXFCSA-N 0 1 321.808 1.740 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(c2ncnc3cccc(F)c32)C1 ZINC000583616891 422203448 /nfs/dbraw/zinc/20/34/48/422203448.db2.gz UQJQBDMDNWRENQ-OAHLLOKOSA-N 0 1 314.324 1.375 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000179483067 263360048 /nfs/dbraw/zinc/36/00/48/263360048.db2.gz COYOHPSPQGWQJA-YMAMQOFZSA-N 0 1 308.422 1.663 10 0 DDAEMN CCO[C@@H]1C[C@@H](NCc2nnc3n2CCCC3)C12CCOCC2 ZINC000186504473 276346094 /nfs/dbraw/zinc/34/60/94/276346094.db2.gz FVKJEGNXWIBXFQ-ZIAGYGMSSA-N 0 1 320.437 1.678 10 0 DDAEMN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CCN1 ZINC000179181221 278687914 /nfs/dbraw/zinc/68/79/14/278687914.db2.gz NLAXWKXWAVHYTL-SNVBAGLBSA-N 0 1 305.403 1.555 10 0 DDAEMN CCc1cc(=O)n2nc(N3CCN(C)C[C@@H]3C(C)C)sc2n1 ZINC000150935248 281374758 /nfs/dbraw/zinc/37/47/58/281374758.db2.gz AMVCUJUWFXOEIP-GFCCVEGCSA-N 0 1 321.450 1.490 10 0 DDAEMN CCc1noc([C@H](C)N2CCN(CCC(=O)N(C)CC)CC2)n1 ZINC000130353155 281377844 /nfs/dbraw/zinc/37/78/44/281377844.db2.gz VWCSFZPGFGVQIY-ZDUSSCGKSA-N 0 1 323.441 1.179 10 0 DDAEMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCN2CCC[C@@H]2C1 ZINC000187686303 290240126 /nfs/dbraw/zinc/24/01/26/290240126.db2.gz VQKOJBALTFCATC-UKRRQHHQSA-N 0 1 308.447 1.931 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC(C)(C)OC)CCN1CCOC ZINC000173235340 298254115 /nfs/dbraw/zinc/25/41/15/298254115.db2.gz NBNILYRJXVEPEM-CYBMUJFWSA-N 0 1 301.431 1.164 10 0 DDAEMN CCOC[C@H](O)CN1CCCC[C@H]1c1ccc(C(=O)NC)n1C ZINC000328628623 528997279 /nfs/dbraw/zinc/99/72/79/528997279.db2.gz HKFNLMRVPAZKHE-HIFRSBDPSA-N 0 1 323.437 1.309 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000038106274 696136211 /nfs/dbraw/zinc/13/62/11/696136211.db2.gz XAYIBEGPWNNMSD-LLVKDONJSA-N 0 1 319.858 1.990 10 0 DDAEMN COC(=O)[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1O ZINC000172376908 697366700 /nfs/dbraw/zinc/36/67/00/697366700.db2.gz NQIFOOFVHNTYBX-LBPRGKRZSA-N 0 1 315.329 1.091 10 0 DDAEMN CO[C@H](C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190653298 697594689 /nfs/dbraw/zinc/59/46/89/697594689.db2.gz XJDTWICNUISKAY-GDBMZVCRSA-N 0 1 305.422 1.787 10 0 DDAEMN CCOCCN1CCN(Cc2c(C)nn(C)c2Cl)C[C@H]1C ZINC000247007810 698359619 /nfs/dbraw/zinc/35/96/19/698359619.db2.gz BYIVANJCMQCPJN-GFCCVEGCSA-N 0 1 314.861 1.925 10 0 DDAEMN CC[C@H]1C[C@H](C)CN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263473100 698508665 /nfs/dbraw/zinc/50/86/65/698508665.db2.gz LXHIYORXSXEXKQ-AHPWVWPOSA-N 0 1 311.426 1.754 10 0 DDAEMN C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000720657643 699307233 /nfs/dbraw/zinc/30/72/33/699307233.db2.gz QGNDFEHCNRSCQR-AAEUAGOBSA-N 0 1 301.350 1.469 10 0 DDAEMN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NCc2cn(C)nc2C(C)(C)C)c1 ZINC000888077169 709209747 /nfs/dbraw/zinc/20/97/47/709209747.db2.gz PVZTVESWIUJRLV-RRFJBIMHSA-N 0 1 317.437 1.687 10 0 DDAEMN COC(=O)N[C@@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)C(C)C ZINC000081795584 192324830 /nfs/dbraw/zinc/32/48/30/192324830.db2.gz YAYXAAVZBCNGFP-CYBMUJFWSA-N 0 1 322.340 1.699 10 0 DDAEMN C[C@@H](NC(=O)c1sccc1Br)c1nn[nH]n1 ZINC000082614139 185191155 /nfs/dbraw/zinc/19/11/55/185191155.db2.gz ZKZWAXYPFFNKAD-SCSAIBSYSA-N 0 1 302.157 1.515 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1cnc(Cl)c(Cl)c1 ZINC000087544679 185227878 /nfs/dbraw/zinc/22/78/78/185227878.db2.gz BUEHUFAYSOKVKY-UHFFFAOYSA-N 0 1 321.189 1.633 10 0 DDAEMN NN=c1cc(Nc2ccc(Br)c(F)c2)[nH]c(N)n1 ZINC000087886569 185234708 /nfs/dbraw/zinc/23/47/08/185234708.db2.gz SPPHMTOBKMWDCZ-UHFFFAOYSA-N 0 1 313.134 1.990 10 0 DDAEMN CC[C@H](C)N(CC)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895380 185235465 /nfs/dbraw/zinc/23/54/65/185235465.db2.gz LFAOPMXWUKJFAB-VIFPVBQESA-N 0 1 316.427 1.441 10 0 DDAEMN NNc1cccc(-n2cc(I)cn2)n1 ZINC000087867783 185234140 /nfs/dbraw/zinc/23/41/40/185234140.db2.gz LIWMSRWORXPLNE-UHFFFAOYSA-N 0 1 301.091 1.158 10 0 DDAEMN O=C1CCCN1C[C@H](O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000179987277 539235369 /nfs/dbraw/zinc/23/53/69/539235369.db2.gz LLLBMHHQUBHVKU-CYBMUJFWSA-N 0 1 324.371 1.917 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)C(C)C ZINC000183661909 539243010 /nfs/dbraw/zinc/24/30/10/539243010.db2.gz PZESDTKGARLCIP-MLGOLLRUSA-N 0 1 303.406 1.324 10 0 DDAEMN CCN(C1CCCCC1)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088876166 185267855 /nfs/dbraw/zinc/26/78/55/185267855.db2.gz ZLQSLHQJNVKIGZ-UHFFFAOYSA-N 0 1 301.412 1.554 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)C[C@H]1C ZINC000255332295 282247830 /nfs/dbraw/zinc/24/78/30/282247830.db2.gz OZQHNVNYNLKOKT-RMKKPPKKSA-N 0 1 323.824 1.662 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(F)ccc1N ZINC000092622503 185330085 /nfs/dbraw/zinc/33/00/85/185330085.db2.gz RYXBWGFSSCXYGV-LLVKDONJSA-N 0 1 301.387 1.123 10 0 DDAEMN O=C1CC[C@@H](CNCc2ccc(I)o2)N1 ZINC000070680393 190912131 /nfs/dbraw/zinc/91/21/31/190912131.db2.gz KUVJVTRASQDZTJ-ZETCQYMHSA-N 0 1 320.130 1.252 10 0 DDAEMN COc1ccc(OC)c([C@H](N)C[S@@](=O)C2CCOCC2)c1 ZINC000084054307 192397522 /nfs/dbraw/zinc/39/75/22/192397522.db2.gz IFBKDLAXUIONOW-SZNDQCEHSA-N 0 1 313.419 1.631 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccoc2)C[C@H]1CC ZINC000172128222 198043290 /nfs/dbraw/zinc/04/32/90/198043290.db2.gz AWQQUKDGYVEXCH-OAHLLOKOSA-N 0 1 309.410 1.922 10 0 DDAEMN O[C@H]1COCC[C@H]1NCc1ccc(Br)c(F)c1F ZINC000623768053 366046986 /nfs/dbraw/zinc/04/69/86/366046986.db2.gz IXJUEDBWCYAGFD-ZJUUUORDSA-N 0 1 322.149 1.967 10 0 DDAEMN COc1cccc(CNC(=O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000172800487 198151477 /nfs/dbraw/zinc/15/14/77/198151477.db2.gz JXULEEKQXFKHHD-MRXNPFEDSA-N 0 1 317.433 1.482 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)C1 ZINC000174003363 198279088 /nfs/dbraw/zinc/27/90/88/198279088.db2.gz QPKXXPGKVNBRBQ-UWVGGRQHSA-N 0 1 320.846 1.081 10 0 DDAEMN CC(C)[N@H+]1C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)C1 ZINC000174003363 198279090 /nfs/dbraw/zinc/27/90/90/198279090.db2.gz QPKXXPGKVNBRBQ-UWVGGRQHSA-N 0 1 320.846 1.081 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174017793 198281468 /nfs/dbraw/zinc/28/14/68/198281468.db2.gz REUWTDXQRVJYRZ-AWEZNQCLSA-N 0 1 317.397 1.289 10 0 DDAEMN C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1nnc[nH]1 ZINC000174556555 198351644 /nfs/dbraw/zinc/35/16/44/198351644.db2.gz RMLDUWOZYMGKSS-VHSXEESVSA-N 0 1 309.370 1.381 10 0 DDAEMN NC(=O)[C@H](c1ccccc1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249576223 283345370 /nfs/dbraw/zinc/34/53/70/283345370.db2.gz PPAMMEAVJCOLTB-XHSDSOJGSA-N 0 1 316.426 1.982 10 0 DDAEMN C[C@H]1OCCC[C@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000188056490 200187205 /nfs/dbraw/zinc/18/72/05/200187205.db2.gz QTJCQMBUKRFWMR-RHSMWYFYSA-N 0 1 302.418 1.976 10 0 DDAEMN O=C([O-])c1cc(Cl)nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091672546 193088962 /nfs/dbraw/zinc/08/89/62/193088962.db2.gz UQLXTPFADNGXTO-GHMZBOCLSA-N 0 1 311.769 1.708 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H]1CCSc1nnc(C)s1 ZINC000093629690 193276362 /nfs/dbraw/zinc/27/63/62/193276362.db2.gz ITGCVEHQHDOGIC-CABZTGNLSA-N 0 1 301.437 1.999 10 0 DDAEMN Cc1cc(C)c(C(N)=O)c(N[C@](C)(C(=O)[O-])C(F)(F)F)[nH+]1 ZINC000094222005 193350722 /nfs/dbraw/zinc/35/07/22/193350722.db2.gz VBGGJKPXNPSJQE-LLVKDONJSA-N 0 1 305.256 1.615 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@@H]1CCCCN1C ZINC000094360355 193366282 /nfs/dbraw/zinc/36/62/82/193366282.db2.gz WFHHLOPBFYIUFZ-LBPRGKRZSA-N 0 1 315.414 1.479 10 0 DDAEMN CC1(C)CCSC[C@H]1[N@@H+](CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000094485619 193372980 /nfs/dbraw/zinc/37/29/80/193372980.db2.gz YMJRTRZJZWJXCK-GHMZBOCLSA-N 0 1 321.464 1.092 10 0 DDAEMN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1nn[nH]n1 ZINC000094596864 193382319 /nfs/dbraw/zinc/38/23/19/193382319.db2.gz FXPHMRZRODPHMD-YFKPBYRVSA-N 0 1 303.219 1.849 10 0 DDAEMN NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C[NH3+])c2)cc1 ZINC000021800270 182290272 /nfs/dbraw/zinc/29/02/72/182290272.db2.gz DLNYPHGIWSKKBU-UHFFFAOYSA-N 0 1 305.359 1.045 10 0 DDAEMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)N1CSC[C@H]1C(=O)[O-] ZINC000040537650 183096157 /nfs/dbraw/zinc/09/61/57/183096157.db2.gz WYUXQLGTYRQMGY-NEPJUHHUSA-N 0 1 315.439 1.420 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000041071204 183162097 /nfs/dbraw/zinc/16/20/97/183162097.db2.gz HNOYVBRDKHLLTB-UHFFFAOYSA-N 0 1 317.733 1.356 10 0 DDAEMN CC(C)N(CCOc1ccc(CC(N)=S)cc1)CC(N)=O ZINC000042429017 183269273 /nfs/dbraw/zinc/26/92/73/183269273.db2.gz IQSPXSJWHDOKNX-UHFFFAOYSA-N 0 1 309.435 1.090 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2ccccc2NN)CC1 ZINC000042689734 183296306 /nfs/dbraw/zinc/29/63/06/183296306.db2.gz KGXWLUKOGNKPOX-UHFFFAOYSA-N 0 1 312.439 1.077 10 0 DDAEMN CNC(=O)c1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000104984316 194062875 /nfs/dbraw/zinc/06/28/75/194062875.db2.gz UGTCYAHHPCTBFY-OAHLLOKOSA-N 0 1 316.405 1.748 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(CC(C)C)no2)CCN1CCOC ZINC000105836653 194142090 /nfs/dbraw/zinc/14/20/90/194142090.db2.gz VXOABSATKYPRFZ-CQSZACIVSA-N 0 1 310.442 1.811 10 0 DDAEMN CC[C@H]1CN([C@@H](C)C(=O)NC(C)(C)CC)CCN1CCOC ZINC000105836753 194142560 /nfs/dbraw/zinc/14/25/60/194142560.db2.gz AOVSUXRPEUPWQW-GJZGRUSLSA-N 0 1 313.486 1.722 10 0 DDAEMN CCOCCN1CCN(Cc2ccoc2C(=O)OC)C[C@@H]1C ZINC000105835114 194142942 /nfs/dbraw/zinc/14/29/42/194142942.db2.gz AYVNDHJNMLMCOK-ZDUSSCGKSA-N 0 1 310.394 1.609 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccccc2)CCN1CCOC ZINC000105836089 194142996 /nfs/dbraw/zinc/14/29/96/194142996.db2.gz MTNMKFHHBACUSN-INIZCTEOSA-N 0 1 305.422 1.668 10 0 DDAEMN CCCCCNC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909895 194166434 /nfs/dbraw/zinc/16/64/34/194166434.db2.gz OOLOJUVFBOVXBC-HNNXBMFYSA-N 0 1 319.453 1.684 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000105902772 194167042 /nfs/dbraw/zinc/16/70/42/194167042.db2.gz PPLRLXKYEPALNW-GOSISDBHSA-N 0 1 322.449 1.218 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2occc2C)CC1 ZINC000109463250 194266003 /nfs/dbraw/zinc/26/60/03/194266003.db2.gz PUESZSOLMLPWND-GFCCVEGCSA-N 0 1 309.435 1.801 10 0 DDAEMN CC[C@@H]1CN(c2nnc(SCC(=O)[O-])n2CC)CC[N@H+]1C ZINC000110732903 194354886 /nfs/dbraw/zinc/35/48/86/194354886.db2.gz GPIDRWODLRWDFH-SNVBAGLBSA-N 0 1 313.427 1.005 10 0 DDAEMN C[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)(C)C(=O)[O-] ZINC000061172648 184164330 /nfs/dbraw/zinc/16/43/30/184164330.db2.gz KAOPGXGTQUTZBM-UHFFFAOYSA-N 0 1 309.753 1.872 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)c1ccc(/C=C/C(=O)[O-])s1 ZINC000061400994 184170174 /nfs/dbraw/zinc/17/01/74/184170174.db2.gz XSYBYHMGSYALAR-GQCTYLIASA-N 0 1 312.391 1.154 10 0 DDAEMN CCOC(=O)[C@](C)(N)CCCCSc1n[nH]c(=O)n1CC ZINC000061607662 184178226 /nfs/dbraw/zinc/17/82/26/184178226.db2.gz CZGLRMVYDQHWIW-CYBMUJFWSA-N 0 1 316.427 1.134 10 0 DDAEMN CN(CCNS(=O)(=O)c1cc(Cl)ccc1N)C1CC1 ZINC000061992620 184200605 /nfs/dbraw/zinc/20/06/05/184200605.db2.gz FAJACVNXFBFXOX-UHFFFAOYSA-N 0 1 303.815 1.295 10 0 DDAEMN COCCCN1[C@@H](C)CN(C(=O)NC2CCOCC2)C[C@@H]1C ZINC000062221226 184223673 /nfs/dbraw/zinc/22/36/73/184223673.db2.gz IPMYMKUVHXRFPE-KBPBESRZSA-N 0 1 313.442 1.306 10 0 DDAEMN CC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCCCOC(C)C)C1 ZINC000062936804 184261032 /nfs/dbraw/zinc/26/10/32/184261032.db2.gz JCZLHYYJSZIFQC-HNNXBMFYSA-N 0 1 300.399 1.104 10 0 DDAEMN CC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000062936832 184261296 /nfs/dbraw/zinc/26/12/96/184261296.db2.gz KLODVNULQQEHBI-IUODEOHRSA-N 0 1 309.387 1.702 10 0 DDAEMN CC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000062936832 184261297 /nfs/dbraw/zinc/26/12/97/184261297.db2.gz KLODVNULQQEHBI-IUODEOHRSA-N 0 1 309.387 1.702 10 0 DDAEMN O=S(=O)(NOCCN1CCCC1)c1ccc2c(c1)CCC2 ZINC000062578417 184244445 /nfs/dbraw/zinc/24/44/45/184244445.db2.gz AYGJVGKECUXCCR-UHFFFAOYSA-N 0 1 310.419 1.481 10 0 DDAEMN Nc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062975758 184264100 /nfs/dbraw/zinc/26/41/00/184264100.db2.gz AQNXAKUNOFRSFB-GFCCVEGCSA-N 0 1 313.398 1.267 10 0 DDAEMN O=C(CNCCC(F)(F)F)Nc1ccc2c(c1)OCCO2 ZINC000063100154 184270725 /nfs/dbraw/zinc/27/07/25/184270725.db2.gz WISXNUQOBNUSDA-UHFFFAOYSA-N 0 1 304.268 1.938 10 0 DDAEMN COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccco2)O1 ZINC000247899828 257114875 /nfs/dbraw/zinc/11/48/75/257114875.db2.gz VTZLQEQYQZBUTH-KKUMJFAQSA-N 0 1 308.378 1.164 10 0 DDAEMN CCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccccc2)c1 ZINC000029316105 406922555 /nfs/dbraw/zinc/92/25/55/406922555.db2.gz AFPMJCUPEBCQAE-UHFFFAOYSA-N 0 1 310.317 1.913 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000123375920 407327296 /nfs/dbraw/zinc/32/72/96/407327296.db2.gz XJEUVPXLTPIFQY-JKSUJKDBSA-N 0 1 323.481 1.286 10 0 DDAEMN COc1ccc(CN(C)C[C@H](O)CN2CCCC2=O)c(OC)c1 ZINC000111682797 407414370 /nfs/dbraw/zinc/41/43/70/407414370.db2.gz GVHLWQHQWAKRTQ-AWEZNQCLSA-N 0 1 322.405 1.119 10 0 DDAEMN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000170873579 407542596 /nfs/dbraw/zinc/54/25/96/407542596.db2.gz LCSRISAXHAATII-LBPRGKRZSA-N 0 1 302.827 1.973 10 0 DDAEMN CSCCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000186172707 407596628 /nfs/dbraw/zinc/59/66/28/407596628.db2.gz KMSVPTGMEGWYNK-ZIAGYGMSSA-N 0 1 317.499 1.616 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1ccc(Br)s1 ZINC000226425302 407616065 /nfs/dbraw/zinc/61/60/65/407616065.db2.gz FFLJWLROHSTEAV-QMMMGPOBSA-N 0 1 307.213 1.143 10 0 DDAEMN CNC(=O)CC[N@@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000178990101 407683557 /nfs/dbraw/zinc/68/35/57/407683557.db2.gz FGUWDDIMDIQZGD-ZDUSSCGKSA-N 0 1 309.797 1.901 10 0 DDAEMN CCc1nc([C@H]2CN(c3cc(C)nc(C4CC4)n3)CCO2)n[nH]1 ZINC000131649539 407745559 /nfs/dbraw/zinc/74/55/59/407745559.db2.gz BLPMGBPMAPTIJI-GFCCVEGCSA-N 0 1 314.393 1.921 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000262245607 407775235 /nfs/dbraw/zinc/77/52/35/407775235.db2.gz RZUHREUNDACCCF-LBPRGKRZSA-N 0 1 318.377 1.046 10 0 DDAEMN CC(C)[C@H](O)CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179339123 407770230 /nfs/dbraw/zinc/77/02/30/407770230.db2.gz ABNNIZNMEKWOSE-CHWSQXEVSA-N 0 1 306.410 1.795 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cccc4c3OCO4)CCO2)n[nH]1 ZINC000180108175 407856741 /nfs/dbraw/zinc/85/67/41/407856741.db2.gz KLYCKUBIDXJSJS-ZDUSSCGKSA-N 0 1 302.334 1.415 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)CCN1C[C@@H](C)O ZINC000133895245 407875467 /nfs/dbraw/zinc/87/54/67/407875467.db2.gz BMOUQSYZUKMZLQ-ZIAGYGMSSA-N 0 1 320.437 1.065 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cccs2)C1 ZINC000262706850 407907752 /nfs/dbraw/zinc/90/77/52/407907752.db2.gz JWKHPMJYNKPLOX-UHFFFAOYSA-N 0 1 308.403 1.806 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC000262731521 407910397 /nfs/dbraw/zinc/91/03/97/407910397.db2.gz UOAJXWYXKUPPEY-IYXRBSQSSA-N 0 1 314.426 1.491 10 0 DDAEMN COC(=O)C1(N(C)C[C@H](O)COCc2ccccc2)CCCC1 ZINC000133495256 407850443 /nfs/dbraw/zinc/85/04/43/407850443.db2.gz DVQDFUHSSZKWTL-INIZCTEOSA-N 0 1 321.417 1.982 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000118856436 407956232 /nfs/dbraw/zinc/95/62/32/407956232.db2.gz OHACECQKJBFWNV-JKSUJKDBSA-N 0 1 311.470 1.166 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Cc2ccsc2)C1 ZINC000262745675 407914958 /nfs/dbraw/zinc/91/49/58/407914958.db2.gz XGSYSHBHEKULMN-UHFFFAOYSA-N 0 1 322.430 1.734 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NC3C[C@H](C)O[C@@H](C)C3)CCO2)n[nH]1 ZINC000245500518 408000586 /nfs/dbraw/zinc/00/05/86/408000586.db2.gz AMCKNMMVMQRUEZ-KWBADKCTSA-N 0 1 323.397 1.152 10 0 DDAEMN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)o1 ZINC000175317338 408104744 /nfs/dbraw/zinc/10/47/44/408104744.db2.gz QVDIWUXUJQAYBQ-ZWNOBZJWSA-N 0 1 319.365 1.859 10 0 DDAEMN CO[C@@H](C)CCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263449099 408143183 /nfs/dbraw/zinc/14/31/83/408143183.db2.gz RUZZHIGGBYKNTD-XGNXJENSSA-N 0 1 312.410 1.245 10 0 DDAEMN Cc1ccccc1CNC(=O)CN1CCN2CCCC[C@H]2C1 ZINC000246148033 408154749 /nfs/dbraw/zinc/15/47/49/408154749.db2.gz FUJZOQZKXRAOIN-KRWDZBQOSA-N 0 1 301.434 1.781 10 0 DDAEMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000155427077 408163596 /nfs/dbraw/zinc/16/35/96/408163596.db2.gz GVBVDIWVGDKJFX-GXTWGEPZSA-N 0 1 302.378 1.708 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N1c2ccccc2C[C@H]1C ZINC000246309735 408216452 /nfs/dbraw/zinc/21/64/52/408216452.db2.gz AGXSBSCBJDZERZ-YCPHGPKFSA-N 0 1 317.433 1.273 10 0 DDAEMN Cn1cc(N2CCC[C@@H](N[C@@H](CO)c3ccccc3)C2=O)cn1 ZINC000182931525 408286850 /nfs/dbraw/zinc/28/68/50/408286850.db2.gz BNDVJPLEKUFKHR-CVEARBPZSA-N 0 1 314.389 1.239 10 0 DDAEMN C[C@H](NC(=O)N1CCN2CCCC[C@@H]2C1)C(=O)N1CCCCC1 ZINC000153428509 162140663 /nfs/dbraw/zinc/14/06/63/162140663.db2.gz AFZRQCKYZLHVGB-LSDHHAIUSA-N 0 1 322.453 1.267 10 0 DDAEMN O[C@H](CN1CCC[C@@H](n2cncn2)C1)c1cc(F)ccc1F ZINC000247006036 408384530 /nfs/dbraw/zinc/38/45/30/408384530.db2.gz BTPLALGUADSLJH-IUODEOHRSA-N 0 1 308.332 1.927 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)n[nH]1 ZINC000173571130 162349473 /nfs/dbraw/zinc/34/94/73/162349473.db2.gz CGKVXDBOAAHEPK-CYBMUJFWSA-N 0 1 315.377 1.593 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)Cc3ccccc3)CCO2)n[nH]1 ZINC000173665802 162356355 /nfs/dbraw/zinc/35/63/55/162356355.db2.gz IORZJGYTMSRECV-CABCVRRESA-N 0 1 302.378 1.090 10 0 DDAEMN Cc1cnc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)o1 ZINC000173681703 162358155 /nfs/dbraw/zinc/35/81/55/162358155.db2.gz AYWDMKDQQBGNAQ-MRXNPFEDSA-N 0 1 322.453 1.210 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)N1CC[C@H](N2CCOCC2)C1)C(C)C ZINC000173956333 162382884 /nfs/dbraw/zinc/38/28/84/162382884.db2.gz AZLDDTCTTUOGBW-HOTGVXAUSA-N 0 1 311.470 1.427 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000247310421 408449307 /nfs/dbraw/zinc/44/93/07/408449307.db2.gz FRMQVRJMLQTMLC-CHWSQXEVSA-N 0 1 305.426 1.666 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247020024 408390324 /nfs/dbraw/zinc/39/03/24/408390324.db2.gz GAUWVMUIBIRISN-KBPBESRZSA-N 0 1 316.467 1.142 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)CCN1C[C@H](C)O ZINC000247123483 408412397 /nfs/dbraw/zinc/41/23/97/408412397.db2.gz JVDHLCFIZQKRSU-HRCADAONSA-N 0 1 313.486 1.314 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccnc2)CCN1C[C@H](C)O ZINC000247178028 408420192 /nfs/dbraw/zinc/42/01/92/408420192.db2.gz NHXZRCIXYUJRCR-ZFWWWQNUSA-N 0 1 306.410 1.068 10 0 DDAEMN CCCCOCCNC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175458300 162472840 /nfs/dbraw/zinc/47/28/40/162472840.db2.gz MBKRVHQHXSRKKJ-GFCCVEGCSA-N 0 1 311.386 1.013 10 0 DDAEMN O=S(=O)(c1cccc2ncccc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247224851 408432194 /nfs/dbraw/zinc/43/21/94/408432194.db2.gz CGOAYHKJKSMAAH-ZDUSSCGKSA-N 0 1 317.414 1.704 10 0 DDAEMN O=S(=O)(c1cccc2ncccc21)N1CCN2CCC[C@H]2C1 ZINC000247224851 408432199 /nfs/dbraw/zinc/43/21/99/408432199.db2.gz CGOAYHKJKSMAAH-ZDUSSCGKSA-N 0 1 317.414 1.704 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2)CCN1C[C@H](C)O ZINC000247543201 408490614 /nfs/dbraw/zinc/49/06/14/408490614.db2.gz PHJBSNFJPUIXJT-HOCLYGCPSA-N 0 1 305.422 1.673 10 0 DDAEMN COCCCNC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247707421 408504158 /nfs/dbraw/zinc/50/41/58/408504158.db2.gz ZHGQZLIDIJYRNJ-IAGOWNOFSA-N 0 1 320.433 1.727 10 0 DDAEMN Cc1cc(N2CC[C@H](N[C@H](CO)c3ccccc3)C2=O)n(C)n1 ZINC000183642210 408462141 /nfs/dbraw/zinc/46/21/41/408462141.db2.gz VAKAXSHUDIUAQO-LSDHHAIUSA-N 0 1 314.389 1.157 10 0 DDAEMN CCOCCN1CCN(c2ncccc2C(=O)OCC)C[C@H]1C ZINC000248398329 408558908 /nfs/dbraw/zinc/55/89/08/408558908.db2.gz NFHYBZXOAJQQAH-CQSZACIVSA-N 0 1 321.421 1.805 10 0 DDAEMN O[C@H](CCc1ccccc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000248574805 408590662 /nfs/dbraw/zinc/59/06/62/408590662.db2.gz NBNLSXBQYHDCKB-QZTJIDSGSA-N 0 1 315.417 1.578 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@H]1C ZINC000248595611 408594362 /nfs/dbraw/zinc/59/43/62/408594362.db2.gz IBHNERAWYAGQGF-RDBSUJKOSA-N 0 1 321.421 1.550 10 0 DDAEMN CCNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248639155 408605530 /nfs/dbraw/zinc/60/55/30/408605530.db2.gz YVRACACHEVZOIM-RWMBFGLXSA-N 0 1 311.426 1.358 10 0 DDAEMN O=S(=O)(c1c(F)cccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000248644051 408606582 /nfs/dbraw/zinc/60/65/82/408606582.db2.gz NQEXJIKXOJOSBH-JTQLQIEISA-N 0 1 318.801 1.948 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(C)c(-n2cnnn2)c1)N(C)C ZINC000161513446 408610391 /nfs/dbraw/zinc/61/03/91/408610391.db2.gz URICTJTURGUAHF-CYBMUJFWSA-N 0 1 302.382 1.640 10 0 DDAEMN CCc1n[nH]c(=O)c(C(=O)N2CCN3CCCC[C@H]3C2)c1CC ZINC000177457220 408622472 /nfs/dbraw/zinc/62/24/72/408622472.db2.gz DCFNLTOHDSBQJR-LBPRGKRZSA-N 0 1 318.421 1.205 10 0 DDAEMN CCCCCS(=O)(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000184597770 408653152 /nfs/dbraw/zinc/65/31/52/408653152.db2.gz LDGQYAWCNCXWGV-LLVKDONJSA-N 0 1 302.400 1.006 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000177770010 408709614 /nfs/dbraw/zinc/70/96/14/408709614.db2.gz YDWHVCKGLDZGHX-RHSMWYFYSA-N 0 1 305.466 1.946 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000194192960 408770619 /nfs/dbraw/zinc/77/06/19/408770619.db2.gz XCDZEUHNSASIPU-CHWSQXEVSA-N 0 1 321.387 1.861 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@@H](C)C(C)C)CCO2)n[nH]1 ZINC000178150926 408780822 /nfs/dbraw/zinc/78/08/22/408780822.db2.gz YTNKOBMUAVMJJH-VXGBXAGGSA-N 0 1 309.414 1.742 10 0 DDAEMN CCc1nc([C@@H]2CN(c3ncnc4onc(C)c43)CCO2)n[nH]1 ZINC000192493634 163225823 /nfs/dbraw/zinc/22/58/23/163225823.db2.gz ONUFNJIPCFVERX-VIFPVBQESA-N 0 1 315.337 1.185 10 0 DDAEMN COc1cccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1F ZINC000192958579 163244483 /nfs/dbraw/zinc/24/44/83/163244483.db2.gz ZEQULSDPBPLSME-CYBMUJFWSA-N 0 1 306.341 1.834 10 0 DDAEMN CCCNC(=O)NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515616 163326488 /nfs/dbraw/zinc/32/64/88/163326488.db2.gz XTSOPNMWWLQYHJ-ZDUSSCGKSA-N 0 1 319.409 1.051 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Br)c(F)c1 ZINC000262181634 163781741 /nfs/dbraw/zinc/78/17/41/163781741.db2.gz BOSABATYTAHBSV-SNVBAGLBSA-N 0 1 305.147 1.178 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccc(Cl)s1 ZINC000311907627 409795991 /nfs/dbraw/zinc/79/59/91/409795991.db2.gz GVQMMCYDFUJRLL-RKDXNWHRSA-N 0 1 324.855 1.370 10 0 DDAEMN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192506876 418523551 /nfs/dbraw/zinc/52/35/51/418523551.db2.gz OXWIDVKJOPPGSV-RYUDHWBXSA-N 0 1 312.435 1.655 10 0 DDAEMN Cc1ccc2oc(=NC[C@@H]3C[C@@H](c4nc[nH]n4)C[C@@H]3O)[nH]c2c1 ZINC000527566210 421415753 /nfs/dbraw/zinc/41/57/53/421415753.db2.gz RPCSTICFJWBRHN-MDZLAQPJSA-N 0 1 313.361 1.643 10 0 DDAEMN CN1CC[C@@]23c4c5c(O)ccc4[C@H](O)[C@@H]1[C@@H]2C(=O)CC[C@H]3O5 ZINC000575416650 422296409 /nfs/dbraw/zinc/29/64/09/422296409.db2.gz BCMBMWYWQVPIPF-MAVRREBHSA-N 0 1 301.342 1.604 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000637928768 422481877 /nfs/dbraw/zinc/48/18/77/422481877.db2.gz RISGFEHTLYDHLE-LCGIIJARSA-N 0 1 306.406 1.339 10 0 DDAEMN COc1cc(CN[C@@H]2CCNC2=O)cc(Br)c1O ZINC000657524358 424397480 /nfs/dbraw/zinc/39/74/80/424397480.db2.gz XUEMPWFWPJZICE-SECBINFHSA-N 0 1 315.167 1.141 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000174086071 276536431 /nfs/dbraw/zinc/53/64/31/276536431.db2.gz YCBJNJWBRIXPHH-IUODEOHRSA-N 0 1 314.376 1.387 10 0 DDAEMN COC(=O)c1c2cn[nH]c2ccc1I ZINC000089196450 277148728 /nfs/dbraw/zinc/14/87/28/277148728.db2.gz BGLRNYYQQRQWKT-UHFFFAOYSA-N 0 1 302.071 1.954 10 0 DDAEMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[C@H](N2CCOCC2)C1 ZINC000173931342 278146919 /nfs/dbraw/zinc/14/69/19/278146919.db2.gz RSBPEFQYTVTTIS-VQHPVUNQSA-N 0 1 323.481 1.571 10 0 DDAEMN Cc1nnc(SCC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)[nH]1 ZINC000329330421 279104924 /nfs/dbraw/zinc/10/49/24/279104924.db2.gz LTQVMBDFHCMPRI-TZMCWYRMSA-N 0 1 310.423 1.621 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)n1 ZINC000329330421 279104928 /nfs/dbraw/zinc/10/49/28/279104928.db2.gz LTQVMBDFHCMPRI-TZMCWYRMSA-N 0 1 310.423 1.621 10 0 DDAEMN CCCN(C[C@H](O)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000128086094 281297963 /nfs/dbraw/zinc/29/79/63/281297963.db2.gz WEDLEUAUBRSIDO-OLZOCXBDSA-N 0 1 307.456 1.062 10 0 DDAEMN Cc1ccccc1CCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174294993 298256879 /nfs/dbraw/zinc/25/68/79/298256879.db2.gz FUUXLWXHWWWQOO-JKSUJKDBSA-N 0 1 304.434 1.841 10 0 DDAEMN CC(C)[C@@H]1CCCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000079341193 483977366 /nfs/dbraw/zinc/97/73/66/483977366.db2.gz LXKFLHTXNGXPDR-CHWSQXEVSA-N 0 1 304.456 1.033 10 0 DDAEMN O=S(=O)(c1ccccc1O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000211890620 484137911 /nfs/dbraw/zinc/13/79/11/484137911.db2.gz YMOLOJZTOUKDCP-DOMZBBRYSA-N 0 1 311.403 1.708 10 0 DDAEMN CCOCCN1CCN(Cc2c(C)nn(C)c2Cl)C[C@@H]1C ZINC000105914092 696625686 /nfs/dbraw/zinc/62/56/86/696625686.db2.gz BYIVANJCMQCPJN-LBPRGKRZSA-N 0 1 314.861 1.925 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245690944 698336989 /nfs/dbraw/zinc/33/69/89/698336989.db2.gz BKYKMSMEWURCKC-NEPJUHHUSA-N 0 1 314.861 1.523 10 0 DDAEMN COCCN1CCN(C(=O)[C@@](C)(N)c2ccccc2)C[C@H]1C ZINC000248874205 698382408 /nfs/dbraw/zinc/38/24/08/698382408.db2.gz IVDHWDHHGYRPMF-PBHICJAKSA-N 0 1 305.422 1.040 10 0 DDAEMN COC[C@@H](N)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000262035606 698451816 /nfs/dbraw/zinc/45/18/16/698451816.db2.gz FOGFGWJJHRDVML-CABCVRRESA-N 0 1 312.385 1.317 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393573 698467150 /nfs/dbraw/zinc/46/71/50/698467150.db2.gz OLCORKQMRJOHNR-HUUCEWRRSA-N 0 1 320.368 1.081 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Cc2cccnc2)C1 ZINC000262543010 698473966 /nfs/dbraw/zinc/47/39/66/698473966.db2.gz RLKPKDGEYGQTAL-UHFFFAOYSA-N 0 1 317.389 1.068 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C(C)C)C2)C1 ZINC000263454553 698507724 /nfs/dbraw/zinc/50/77/24/698507724.db2.gz GZDCJNSWAQUNTN-IYXRBSQSSA-N 0 1 311.426 1.611 10 0 DDAEMN COC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)s2)CNCCO1 ZINC000710775116 699254782 /nfs/dbraw/zinc/25/47/82/699254782.db2.gz OKSIXRIMLCHMIR-NOZJJQNGSA-N 0 1 318.826 1.584 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000722627209 699319837 /nfs/dbraw/zinc/31/98/37/699319837.db2.gz KXBJMEBDIXVSDE-LBPRGKRZSA-N 0 1 306.366 1.304 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(Cc3cc[nH]n3)C2)ccn1 ZINC000886072159 708692771 /nfs/dbraw/zinc/69/27/71/708692771.db2.gz YNQOHEDCLJPTBU-MRXNPFEDSA-N 0 1 301.394 1.520 10 0 DDAEMN CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000900082554 709283391 /nfs/dbraw/zinc/28/33/91/709283391.db2.gz AWYZTXAHBHEGQU-LSCVPOLPSA-N 0 1 308.344 1.679 10 0 DDAEMN C[S@](=N)(=O)c1ccc(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000910486702 709968720 /nfs/dbraw/zinc/96/87/20/709968720.db2.gz PJJYOJONGZWHMP-BWFKNJDFSA-N 0 1 323.418 1.524 10 0 DDAEMN Cn1c2ccc(CN3CCCC[C@@H]3c3nnc[nH]3)cc2oc1=O ZINC000895197327 711450274 /nfs/dbraw/zinc/45/02/74/711450274.db2.gz HOSRBYLLHKKXKD-CYBMUJFWSA-N 0 1 313.361 1.977 10 0 DDAEMN Cc1csc2nc(C)c(CN[C@H](C)CS(C)(=O)=O)n12 ZINC000081902265 192337240 /nfs/dbraw/zinc/33/72/40/192337240.db2.gz XGZHGXNCFZCETE-MRVPVSSYSA-N 0 1 301.437 1.535 10 0 DDAEMN C[C@H](CS(C)(=O)=O)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000081901505 192335850 /nfs/dbraw/zinc/33/58/50/192335850.db2.gz DBAYRJZMQLLPGB-VXGBXAGGSA-N 0 1 313.419 1.932 10 0 DDAEMN COC(=O)C[C@H](N[C@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081900051 192335959 /nfs/dbraw/zinc/33/59/59/192335959.db2.gz OJWWSFIIYKIYFF-ZJUUUORDSA-N 0 1 305.421 1.375 10 0 DDAEMN COc1ccc([C@@H](N)CS(=O)(=O)CC(C)C)cc1OC ZINC000081929538 192341158 /nfs/dbraw/zinc/34/11/58/192341158.db2.gz IKKIBFOWBOCOML-LBPRGKRZSA-N 0 1 301.408 1.774 10 0 DDAEMN CC[C@H](C)S(=O)(=O)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000081938592 192342598 /nfs/dbraw/zinc/34/25/98/192342598.db2.gz JJUGZVRIXSXRPV-WCQYABFASA-N 0 1 313.419 1.932 10 0 DDAEMN NN=c1cc(NCc2ccc(Br)s2)[nH]c(N)n1 ZINC000087880138 185234474 /nfs/dbraw/zinc/23/44/74/185234474.db2.gz UPKLNTFQWPNHAA-UHFFFAOYSA-N 0 1 315.200 1.781 10 0 DDAEMN CCN[C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081975386 192347650 /nfs/dbraw/zinc/34/76/50/192347650.db2.gz GNISECVODCNOTB-DZGCQCFKSA-N 0 1 311.403 1.240 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(C)CCC(C)C)c1S(N)(=O)=O ZINC000087898499 185235974 /nfs/dbraw/zinc/23/59/74/185235974.db2.gz CKACWERELHYRRX-UHFFFAOYSA-N 0 1 316.427 1.128 10 0 DDAEMN NN=c1cc(NCc2cccc(Br)c2)[nH]c(N)n1 ZINC000087864101 185233776 /nfs/dbraw/zinc/23/37/76/185233776.db2.gz DCXSFMSZFGCUMR-UHFFFAOYSA-N 0 1 309.171 1.719 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc2[C@H]1N ZINC000081977460 192347941 /nfs/dbraw/zinc/34/79/41/192347941.db2.gz ANJWSWQWFMLCRH-UKRRQHHQSA-N 0 1 311.403 1.369 10 0 DDAEMN Cc1ccc([C@H](C)NCC(=O)N[C@@H](C)C(=O)N(C)C)cc1F ZINC000181342246 539237934 /nfs/dbraw/zinc/23/79/34/539237934.db2.gz JPCITSYGRUBFFZ-RYUDHWBXSA-N 0 1 309.385 1.378 10 0 DDAEMN CC[C@@H](C(N)=S)S(=O)(=O)Nc1cc(OC)ccc1OC ZINC000088486993 185253480 /nfs/dbraw/zinc/25/34/80/185253480.db2.gz UKASODUORCOQIW-NSHDSACASA-N 0 1 318.420 1.510 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(CC)CC(F)(F)F)o1 ZINC000088544055 185256802 /nfs/dbraw/zinc/25/68/02/185256802.db2.gz IPCOXSMXRMLACW-UHFFFAOYSA-N 0 1 314.329 1.962 10 0 DDAEMN C[C@@H](NCCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000358140775 299085872 /nfs/dbraw/zinc/08/58/72/299085872.db2.gz YFVZXRLRQZGSLV-SNVBAGLBSA-N 0 1 304.362 1.651 10 0 DDAEMN CNCc1ncnn1CCOc1ccc(Br)cc1 ZINC000088628712 185260384 /nfs/dbraw/zinc/26/03/84/185260384.db2.gz DQOUWYNVJYFTGW-UHFFFAOYSA-N 0 1 311.183 1.839 10 0 DDAEMN CN(C1CCN(C)CC1)S(=O)(=O)Cc1ccc(CO)cc1 ZINC000088876124 185267911 /nfs/dbraw/zinc/26/79/11/185267911.db2.gz MWXKLQDNAAAPMG-UHFFFAOYSA-N 0 1 312.435 1.035 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@](C)(O)c1ccco1 ZINC000173675899 282251276 /nfs/dbraw/zinc/25/12/76/282251276.db2.gz MMCAUZWBKDZAOD-QAPCUYQASA-N 0 1 316.401 1.776 10 0 DDAEMN COC[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000183217812 199557057 /nfs/dbraw/zinc/55/70/57/199557057.db2.gz UXTPUDFPEKOYDI-RISCZKNCSA-N 0 1 308.332 1.848 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2ccccn2)C1 ZINC000616634612 362765099 /nfs/dbraw/zinc/76/50/99/362765099.db2.gz WATSFMWLEQNAHD-AWEZNQCLSA-N 0 1 306.410 1.553 10 0 DDAEMN COCCN(CCOC)Cc1ccc(F)cc1C(N)=S ZINC000071265906 190949288 /nfs/dbraw/zinc/94/92/88/190949288.db2.gz FWCSNCGIYWAWBG-UHFFFAOYSA-N 0 1 300.399 1.555 10 0 DDAEMN CC[C@H](C)NC(=O)Cn1c2ccc(OC)cc2nc1[C@H](C)N ZINC000071667932 191002248 /nfs/dbraw/zinc/00/22/48/191002248.db2.gz QYIYTLXHWQTDPU-QWRGUYRKSA-N 0 1 304.394 1.979 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000148128609 186043138 /nfs/dbraw/zinc/04/31/38/186043138.db2.gz CMZBOPYTEAHKAO-GZMMTYOYSA-N 0 1 301.184 1.600 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)CCO2)n[nH]1 ZINC000173554510 198226555 /nfs/dbraw/zinc/22/65/55/198226555.db2.gz DWTSYOVABVAVTC-GFCCVEGCSA-N 0 1 318.381 1.427 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000174095160 198291030 /nfs/dbraw/zinc/29/10/30/198291030.db2.gz LXLIAHOHFCJQIO-CQSZACIVSA-N 0 1 305.378 1.823 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccccc2C)CCN1C[C@@H](C)O ZINC000174591077 198356867 /nfs/dbraw/zinc/35/68/67/198356867.db2.gz PJYJZPZQCLKZKO-WBVHZDCISA-N 0 1 304.434 1.841 10 0 DDAEMN Cc1[nH]ncc1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000076855152 353441357 /nfs/dbraw/zinc/44/13/57/353441357.db2.gz OXVCQGABAYPQFE-LLVKDONJSA-N 0 1 301.350 1.545 10 0 DDAEMN CCCc1cc(C(=O)N(C)C[C@@H]2CCc3nccn3C2)n[nH]1 ZINC000328619575 354547580 /nfs/dbraw/zinc/54/75/80/354547580.db2.gz GAZNKNHEXUMNLL-LBPRGKRZSA-N 0 1 301.394 1.893 10 0 DDAEMN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1ccn2cncc2c1 ZINC000328619937 354547728 /nfs/dbraw/zinc/54/77/28/354547728.db2.gz GMOQTEHJKZYWKH-CYBMUJFWSA-N 0 1 309.373 1.865 10 0 DDAEMN Cc1ncc(CN[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000081293033 192246899 /nfs/dbraw/zinc/24/68/99/192246899.db2.gz BNVZNXGZTUMQOR-CYBMUJFWSA-N 0 1 305.403 1.457 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000086775010 192598503 /nfs/dbraw/zinc/59/85/03/192598503.db2.gz LLVUMMGTDPVBPE-NSHDSACASA-N 0 1 314.407 1.404 10 0 DDAEMN CCN(C[C@H]1CCCO1)S(=O)(=O)c1csc(CN)c1 ZINC000088993563 192687318 /nfs/dbraw/zinc/68/73/18/192687318.db2.gz ZEPNXEDCSZHWIP-SNVBAGLBSA-N 0 1 304.437 1.396 10 0 DDAEMN CC(C)C[C@H](N[C@@H]1CCO[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179808017 199083115 /nfs/dbraw/zinc/08/31/15/199083115.db2.gz VNOKRKKWIMDBEN-AXFHLTTASA-N 0 1 306.370 1.709 10 0 DDAEMN CCO[C@H]1CCCN(S(=O)(=O)c2c(C)oc(C)c2CN)C1 ZINC000089003904 192692098 /nfs/dbraw/zinc/69/20/98/192692098.db2.gz RTDSQYRRNMJTGK-LBPRGKRZSA-N 0 1 316.423 1.545 10 0 DDAEMN COC(=O)c1ccccc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180223900 199133432 /nfs/dbraw/zinc/13/34/32/199133432.db2.gz OKSQMRCIPSGGKH-YOEHRIQHSA-N 0 1 318.417 1.626 10 0 DDAEMN C[C@@H](C(=O)[O-])N1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092266795 193183352 /nfs/dbraw/zinc/18/33/52/193183352.db2.gz LBMSYDSNBGNSBF-GXTWGEPZSA-N 0 1 306.431 1.794 10 0 DDAEMN CCOC(=O)C[C@@H](NC(=O)C[C@@H]1COCCN1)c1ccccc1 ZINC000262310991 203257714 /nfs/dbraw/zinc/25/77/14/203257714.db2.gz BUOUDRSXFFEAGK-HUUCEWRRSA-N 0 1 320.389 1.176 10 0 DDAEMN COC(=O)[C@@]1(NC2CC2)CCC[C@H](Sc2nnc(C)[nH]2)C1 ZINC000093778833 193306570 /nfs/dbraw/zinc/30/65/70/193306570.db2.gz HIJXWLMGOZFBFA-SMDDNHRTSA-N 0 1 310.423 1.812 10 0 DDAEMN Cc1nc([C@H]2CN(C(C)C)CCO2)[nH]c(=O)c1Br ZINC000093923514 193328066 /nfs/dbraw/zinc/32/80/66/193328066.db2.gz FGHPERDAXFSHKM-SECBINFHSA-N 0 1 316.199 1.623 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1N ZINC000094639077 193388230 /nfs/dbraw/zinc/38/82/30/193388230.db2.gz KWNDKCJMDNSFOI-JTQLQIEISA-N 0 1 317.842 1.555 10 0 DDAEMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000094442339 193370047 /nfs/dbraw/zinc/37/00/47/193370047.db2.gz FQJJELKVVXJIFQ-IJLUTSLNSA-N 0 1 313.423 1.125 10 0 DDAEMN O=C([O-])c1c(N2CC[N@H+]3CCCC[C@@H]3C2)nc2sccn21 ZINC000094439723 193370219 /nfs/dbraw/zinc/37/02/19/193370219.db2.gz GHIGBQCZFXQBIM-SNVBAGLBSA-N 0 1 306.391 1.769 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000094779642 193397130 /nfs/dbraw/zinc/39/71/30/193397130.db2.gz FKJOVIRFYAXSGC-LLVKDONJSA-N 0 1 315.414 1.431 10 0 DDAEMN CCC1(CC)CCN(S(=O)(=O)c2n[nH]cc2CNC)C1 ZINC000094815096 193399985 /nfs/dbraw/zinc/39/99/85/193399985.db2.gz WFECPEALPUILAT-UHFFFAOYSA-N 0 1 300.428 1.330 10 0 DDAEMN C[C@@]1(n2c(=O)c3ccccc3[nH]c2=S)CCS(=O)(=O)C1 ZINC000020937524 182255211 /nfs/dbraw/zinc/25/52/11/182255211.db2.gz XQNDAYDCXLLRDB-CYBMUJFWSA-N 0 1 310.400 1.593 10 0 DDAEMN CN1CCC[C@H](NC(=O)c2ccc(Br)c(N)c2)C1 ZINC000040671592 183115669 /nfs/dbraw/zinc/11/56/69/183115669.db2.gz AZNMVFDQXDLFLG-JTQLQIEISA-N 0 1 312.211 1.855 10 0 DDAEMN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)s1 ZINC000041679082 183216335 /nfs/dbraw/zinc/21/63/35/183216335.db2.gz JDWVUCFTROILJE-MRVPVSSYSA-N 0 1 311.860 1.805 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc([C@H](C)O)cc1 ZINC000041684820 183216688 /nfs/dbraw/zinc/21/66/88/183216688.db2.gz QKZMZXJIKDPBAE-ZDUSSCGKSA-N 0 1 314.451 1.702 10 0 DDAEMN CSCC[C@@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682566 183216937 /nfs/dbraw/zinc/21/69/37/183216937.db2.gz RXVOIOFICKYFBU-GFCCVEGCSA-N 0 1 319.471 1.612 10 0 DDAEMN C[C@@H](NCc1cccc(Br)c1)C(=O)NC(N)=O ZINC000042418967 183267720 /nfs/dbraw/zinc/26/77/20/183267720.db2.gz NRKLGBDFCHRMSQ-SSDOTTSWSA-N 0 1 300.156 1.122 10 0 DDAEMN O=S(=O)(NCc1nnc[nH]1)c1sccc1Br ZINC000042524527 183280142 /nfs/dbraw/zinc/28/01/42/183280142.db2.gz WTJLDOHQZRVGBU-UHFFFAOYSA-N 0 1 323.197 1.107 10 0 DDAEMN CC(C)[C@H](CN(C)C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593123 183374774 /nfs/dbraw/zinc/37/47/74/183374774.db2.gz ULJNVXCBSHFSJV-LBPRGKRZSA-N 0 1 303.403 1.272 10 0 DDAEMN Cc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1C(N)=O ZINC000105033757 194066134 /nfs/dbraw/zinc/06/61/34/194066134.db2.gz RRCWRSMEYNTBPJ-CQSZACIVSA-N 0 1 316.405 1.796 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000109464313 194266077 /nfs/dbraw/zinc/26/60/77/194266077.db2.gz GTOOPEYBAMWLQR-GFCCVEGCSA-N 0 1 309.435 1.801 10 0 DDAEMN C[C@H]1CN(c2nc3c(cc2C(N)=S)CCCC3)CCN1C ZINC000110755874 194356508 /nfs/dbraw/zinc/35/65/08/194356508.db2.gz BJISPHZTZHQLQX-NSHDSACASA-N 0 1 304.463 1.735 10 0 DDAEMN CN(CC(=O)N1CCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000054186993 183929094 /nfs/dbraw/zinc/92/90/94/183929094.db2.gz HFDKGHOSWVQMDJ-UHFFFAOYSA-N 0 1 301.312 1.573 10 0 DDAEMN COc1cc(Br)ccc1C(=O)N[C@H]1CCN(C)C1 ZINC000111159977 194397801 /nfs/dbraw/zinc/39/78/01/194397801.db2.gz JFFRCBFQCYTBFI-JTQLQIEISA-N 0 1 313.195 1.892 10 0 DDAEMN O=S(=O)(C[C@@H]1CCCC[NH2+]1)[N-]c1cc(F)cc(F)c1F ZINC000061120925 184162718 /nfs/dbraw/zinc/16/27/18/184162718.db2.gz RMVLTTZPPXNJAI-VIFPVBQESA-N 0 1 308.325 1.988 10 0 DDAEMN COCCN(C)CCN[C@H](c1cccs1)c1nccn1C ZINC000061376681 184169659 /nfs/dbraw/zinc/16/96/59/184169659.db2.gz IKMJVIHCPVBCSP-CQSZACIVSA-N 0 1 308.451 1.739 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000061655945 184180856 /nfs/dbraw/zinc/18/08/56/184180856.db2.gz DLKFATQOJSMVDU-AWEZNQCLSA-N 0 1 311.451 1.833 10 0 DDAEMN CCc1nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000158327175 197262235 /nfs/dbraw/zinc/26/22/35/197262235.db2.gz OWAQGZOCYMPSEE-GFCCVEGCSA-N 0 1 301.398 1.258 10 0 DDAEMN COCCN1CCN(Cc2ccccc2NC(C)=O)C[C@H]1C ZINC000120846629 195249471 /nfs/dbraw/zinc/24/94/71/195249471.db2.gz UCWJXKLPIZTIEU-CQSZACIVSA-N 0 1 305.422 1.798 10 0 DDAEMN CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000052740808 407156094 /nfs/dbraw/zinc/15/60/94/407156094.db2.gz RZWRIUXDCBDVIF-CQSZACIVSA-N 0 1 319.405 1.624 10 0 DDAEMN O[C@@H](COCc1ccccc1)CN1CCCC2(C1)OCCO2 ZINC000090561919 407170409 /nfs/dbraw/zinc/17/04/09/407170409.db2.gz BUAAWUQHTBZXCU-MRXNPFEDSA-N 0 1 307.390 1.403 10 0 DDAEMN O=C([N-][C@@H]1C[N@@H+](Cc2ccccc2)CC12COC2)C(F)(F)F ZINC000095938002 407214989 /nfs/dbraw/zinc/21/49/89/407214989.db2.gz OXPDBYIWGYNNNH-GFCCVEGCSA-N 0 1 314.307 1.566 10 0 DDAEMN O=C(N[C@@H]1CN(Cc2ccccc2)CC12COC2)C(F)(F)F ZINC000095938002 407214992 /nfs/dbraw/zinc/21/49/92/407214992.db2.gz OXPDBYIWGYNNNH-GFCCVEGCSA-N 0 1 314.307 1.566 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccn3C(C)C)CCO2)n[nH]1 ZINC000123080289 407319173 /nfs/dbraw/zinc/31/91/73/407319173.db2.gz GUWJCYPVRLQEFL-CYBMUJFWSA-N 0 1 303.366 1.709 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000123564522 407332802 /nfs/dbraw/zinc/33/28/02/407332802.db2.gz XEIANNZPIUYWES-MRXNPFEDSA-N 0 1 302.422 1.531 10 0 DDAEMN Cc1ccc(CCN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000124584117 407362446 /nfs/dbraw/zinc/36/24/46/407362446.db2.gz VQIMXZLTHOZTJE-UHFFFAOYSA-N 0 1 322.416 1.797 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CCCn3nc(C)nc32)n[nH]1 ZINC000124895843 407373090 /nfs/dbraw/zinc/37/30/90/407373090.db2.gz AMNSFFYFVUONKC-RNCFNFMXSA-N 0 1 317.397 1.383 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ccc(F)nc2)CCN1CCOC ZINC000126443556 407413337 /nfs/dbraw/zinc/41/33/37/407413337.db2.gz JOKZGKJJONGZEK-ZDUSSCGKSA-N 0 1 310.373 1.795 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CCC[C@H](Cn3cncn3)C2)[nH]1 ZINC000128628649 407553245 /nfs/dbraw/zinc/55/32/45/407553245.db2.gz AVFSPBVJGRUEHW-ZDUSSCGKSA-N 0 1 316.409 1.220 10 0 DDAEMN CCc1nnc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1C ZINC000152157339 407574817 /nfs/dbraw/zinc/57/48/17/407574817.db2.gz IUFJGMXQZXBEJK-LBPRGKRZSA-N 0 1 315.425 1.753 10 0 DDAEMN CCc1nnc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1C ZINC000152157339 407574825 /nfs/dbraw/zinc/57/48/25/407574825.db2.gz IUFJGMXQZXBEJK-LBPRGKRZSA-N 0 1 315.425 1.753 10 0 DDAEMN C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000170859476 407533757 /nfs/dbraw/zinc/53/37/57/407533757.db2.gz OGQNGBNBURWWEB-JTQLQIEISA-N 0 1 313.195 1.931 10 0 DDAEMN NC(=O)c1ccc(OCCc2nc(C3(N)CCC3)no2)cc1 ZINC000261882115 407654585 /nfs/dbraw/zinc/65/45/85/407654585.db2.gz WMFKXRBEURCAMF-UHFFFAOYSA-N 0 1 302.334 1.128 10 0 DDAEMN C[C@@H]1C[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000130650031 407702351 /nfs/dbraw/zinc/70/23/51/407702351.db2.gz MQENGGIQEUMDKH-IJEWVQPXSA-N 0 1 306.454 1.491 10 0 DDAEMN CCn1c(C)nnc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000171596105 407713729 /nfs/dbraw/zinc/71/37/29/407713729.db2.gz XRCAHRVJFGQJKE-UHFFFAOYSA-N 0 1 317.441 1.048 10 0 DDAEMN CNC(=O)[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)C(C)C ZINC000179127707 407730786 /nfs/dbraw/zinc/73/07/86/407730786.db2.gz DOBTXIIGLYQGAV-CYBMUJFWSA-N 0 1 301.346 1.029 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(Br)c(F)c1 ZINC000262181632 407760471 /nfs/dbraw/zinc/76/04/71/407760471.db2.gz BOSABATYTAHBSV-JTQLQIEISA-N 0 1 305.147 1.178 10 0 DDAEMN CCOc1c(Cl)cc(CNC(=O)[C@@H](N)COC)cc1OC ZINC000262257341 407775090 /nfs/dbraw/zinc/77/50/90/407775090.db2.gz JECXONPBUYWZAR-NSHDSACASA-N 0 1 316.785 1.337 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279540 407781562 /nfs/dbraw/zinc/78/15/62/407781562.db2.gz LOYWYHZZFPJCSB-DVOMOZLQSA-N 0 1 321.421 1.208 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000262263394 407779811 /nfs/dbraw/zinc/77/98/11/407779811.db2.gz JPODMFDLJDJNQA-GJZGRUSLSA-N 0 1 310.369 1.307 10 0 DDAEMN CSC[C@H](CCO)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000132973986 407813457 /nfs/dbraw/zinc/81/34/57/407813457.db2.gz AZKJKWVUBJFPME-LSDHHAIUSA-N 0 1 310.463 1.390 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000262376352 407816040 /nfs/dbraw/zinc/81/60/40/407816040.db2.gz XGISTVHRAHURKQ-CABZTGNLSA-N 0 1 304.312 1.726 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262693855 407901153 /nfs/dbraw/zinc/90/11/53/407901153.db2.gz AWLZICCGYYGQBS-SGIHWFKDSA-N 0 1 310.316 1.485 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)cc2F)C1 ZINC000262723677 407909807 /nfs/dbraw/zinc/90/98/07/407909807.db2.gz RAZWYQCAZQYOMB-UHFFFAOYSA-N 0 1 324.352 1.502 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCCSC)CCN1C[C@@H](C)O ZINC000174611075 407970906 /nfs/dbraw/zinc/97/09/06/407970906.db2.gz WNCXZVIUUZFWCL-ZIAGYGMSSA-N 0 1 302.484 1.823 10 0 DDAEMN CCCCc1noc([C@H](C)N2CCN(C[C@H](O)CC)CC2)n1 ZINC000174083740 407914842 /nfs/dbraw/zinc/91/48/42/407914842.db2.gz LKVBFOQOYSOKQR-UONOGXRCSA-N 0 1 310.442 1.862 10 0 DDAEMN O=C(CN1CCCCCC1=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181381892 407988898 /nfs/dbraw/zinc/98/88/98/407988898.db2.gz SIBKDFBKVHMOEX-LBPRGKRZSA-N 0 1 305.382 1.261 10 0 DDAEMN C[C@H](O)CN1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000189321592 408007105 /nfs/dbraw/zinc/00/71/05/408007105.db2.gz WWDHNDQDMZWASW-HNNXBMFYSA-N 0 1 309.429 1.256 10 0 DDAEMN CCOC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000175148110 408061560 /nfs/dbraw/zinc/06/15/60/408061560.db2.gz OLXRMNJIWDZKSZ-HIFRSBDPSA-N 0 1 306.406 1.475 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCC2=CCCC2)CCN1C[C@@H](C)O ZINC000182043291 408068178 /nfs/dbraw/zinc/06/81/78/408068178.db2.gz QJNQXYSMLRTLHF-GDBMZVCRSA-N 0 1 309.454 1.973 10 0 DDAEMN CCOCCN1CCN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1CC ZINC000175190618 408074075 /nfs/dbraw/zinc/07/40/75/408074075.db2.gz GCKCRWLQJSMZJE-JKSUJKDBSA-N 0 1 311.470 1.428 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cccc(O)c2)CCN1C[C@@H](C)O ZINC000154718876 408075124 /nfs/dbraw/zinc/07/51/24/408075124.db2.gz ACZSUQUSABMVFF-XIHNBGGYSA-N 0 1 318.417 1.709 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccccc3)CCO2)n[nH]1 ZINC000175287107 408098306 /nfs/dbraw/zinc/09/83/06/408098306.db2.gz TWSUPBIKDLHESL-ZDUSSCGKSA-N 0 1 301.350 1.396 10 0 DDAEMN CC[C@H]1CN(C(=O)C2(CCOC)CCC2)CCN1C[C@H](C)O ZINC000245986974 408113289 /nfs/dbraw/zinc/11/32/89/408113289.db2.gz FLYIOPHRUHJSDL-GJZGRUSLSA-N 0 1 312.454 1.497 10 0 DDAEMN CCNC(=O)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000155036573 408117753 /nfs/dbraw/zinc/11/77/53/408117753.db2.gz NXPINXQYQVJCBG-HNNXBMFYSA-N 0 1 319.449 1.438 10 0 DDAEMN COCCN1CCN(Cc2cnc3c(C)cccn23)C[C@@H]1C ZINC000245726309 408054499 /nfs/dbraw/zinc/05/44/99/408054499.db2.gz IUWGGQRPKISXSR-HNNXBMFYSA-N 0 1 302.422 1.795 10 0 DDAEMN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2c(O)cccc2F)C1 ZINC000190002534 408143975 /nfs/dbraw/zinc/14/39/75/408143975.db2.gz YMSMPGHSSBNZQQ-ONGXEEELSA-N 0 1 321.308 1.825 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCC3(C)CCCC3)CCO2)n[nH]1 ZINC000175520525 408150732 /nfs/dbraw/zinc/15/07/32/408150732.db2.gz QNAPISZOWZZGBK-LBPRGKRZSA-N 0 1 307.398 1.776 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2c(F)ccc(O)c2F)C1 ZINC000263494112 408156746 /nfs/dbraw/zinc/15/67/46/408156746.db2.gz JGIFIKASIMRLRT-UHFFFAOYSA-N 0 1 314.332 1.698 10 0 DDAEMN COc1ccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1C ZINC000263503950 408159480 /nfs/dbraw/zinc/15/94/80/408159480.db2.gz LKNMORBWMUOKAD-OAHLLOKOSA-N 0 1 322.405 1.221 10 0 DDAEMN Cc1ncc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)s1 ZINC000263531217 408163803 /nfs/dbraw/zinc/16/38/03/408163803.db2.gz WQDSZCITZMRBAL-UHFFFAOYSA-N 0 1 309.435 1.869 10 0 DDAEMN Cc1ccn(C)c(=O)c1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000155472404 408171036 /nfs/dbraw/zinc/17/10/36/408171036.db2.gz WLFPWBZVTLMCOA-ZDUSSCGKSA-N 0 1 304.394 1.396 10 0 DDAEMN Cc1cccc2nc(CN3C[C@@H](C)[C@@H](N4CCOCC4)C3)cn21 ZINC000246444111 408261184 /nfs/dbraw/zinc/26/11/84/408261184.db2.gz MHUMMLWEBCAIFG-PBHICJAKSA-N 0 1 314.433 1.795 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)CSC)CCO2)n[nH]1 ZINC000141384734 162133902 /nfs/dbraw/zinc/13/39/02/162133902.db2.gz LHGFPJHVMSQOAV-ZJUUUORDSA-N 0 1 313.427 1.202 10 0 DDAEMN Cc1cc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)on1 ZINC000171574988 162226156 /nfs/dbraw/zinc/22/61/56/162226156.db2.gz ASAIBOBGYWQCJM-KRWDZBQOSA-N 0 1 322.453 1.210 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nc2c(s1)COCC2 ZINC000176420604 408362685 /nfs/dbraw/zinc/36/26/85/408362685.db2.gz POUBEUBPYRCZQC-WDEREUQCSA-N 0 1 322.434 1.916 10 0 DDAEMN CC[C@H]1CN([C@H](C)C(=O)N2CCCCC2)CCN1CCOC ZINC000246998471 408385124 /nfs/dbraw/zinc/38/51/24/408385124.db2.gz BHWZBUAHNBVVQM-CVEARBPZSA-N 0 1 311.470 1.430 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)CCO2)n[nH]1 ZINC000173536504 162347976 /nfs/dbraw/zinc/34/79/76/162347976.db2.gz PYNZOMBDHVWBCU-WFASDCNBSA-N 0 1 314.389 1.892 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)NC3CCC(C)CC3)CCO2)n[nH]1 ZINC000173661021 162353645 /nfs/dbraw/zinc/35/36/45/162353645.db2.gz HLMRXZCBOULEEU-UBHUBRDASA-N 0 1 321.425 1.181 10 0 DDAEMN Cc1nc([C@@H]2CN(CCOc3cccc(C)c3)CCO2)n[nH]1 ZINC000173665517 162354957 /nfs/dbraw/zinc/35/49/57/162354957.db2.gz GULLVYUHJJBXRB-HNNXBMFYSA-N 0 1 302.378 1.874 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CCN1CCOC ZINC000246994738 408382356 /nfs/dbraw/zinc/38/23/56/408382356.db2.gz BDKFAADFWFCRNH-HZPDHXFCSA-N 0 1 311.470 1.288 10 0 DDAEMN CC(C)CCNC(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247108744 408407983 /nfs/dbraw/zinc/40/79/83/408407983.db2.gz IUVYMRPRSLHFJK-HUUCEWRRSA-N 0 1 307.442 1.541 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H]2CCCOC2)CCN1CCOC ZINC000247189253 408423910 /nfs/dbraw/zinc/42/39/10/408423910.db2.gz SFQZQLKOLJBOID-HUUCEWRRSA-N 0 1 313.442 1.165 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n[nH]1 ZINC000247230228 408432885 /nfs/dbraw/zinc/43/28/85/408432885.db2.gz WUSYEECZGRENLZ-TZMCWYRMSA-N 0 1 323.441 1.520 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccccc3F)CCO2)n[nH]1 ZINC000176945211 408482546 /nfs/dbraw/zinc/48/25/46/408482546.db2.gz YEOWNIWMXJKVOJ-LBPRGKRZSA-N 0 1 305.313 1.858 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ccnn2C(C)C)CCN1C[C@H](C)O ZINC000247566156 408493891 /nfs/dbraw/zinc/49/38/91/408493891.db2.gz RFXXJDAGRQQPRC-UONOGXRCSA-N 0 1 323.441 1.773 10 0 DDAEMN CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247395636 408465935 /nfs/dbraw/zinc/46/59/35/408465935.db2.gz XSDVWXRXCCWBEB-HZPDHXFCSA-N 0 1 321.469 1.883 10 0 DDAEMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000247395636 408465941 /nfs/dbraw/zinc/46/59/41/408465941.db2.gz XSDVWXRXCCWBEB-HZPDHXFCSA-N 0 1 321.469 1.883 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)c3c(O)cccc3F)CCO2)cn1 ZINC000191725903 408478223 /nfs/dbraw/zinc/47/82/23/408478223.db2.gz UXGMUCUELBKUIT-CQSZACIVSA-N 0 1 319.336 1.961 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccs2)CCN1C[C@H](C)O ZINC000248376126 408553432 /nfs/dbraw/zinc/55/34/32/408553432.db2.gz ZNAUXVFTQPYPDO-QWHCGFSZSA-N 0 1 311.451 1.735 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000184144463 408559591 /nfs/dbraw/zinc/55/95/91/408559591.db2.gz QFIGQHBQOSUOQP-CQSZACIVSA-N 0 1 312.410 1.744 10 0 DDAEMN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000184701734 408671307 /nfs/dbraw/zinc/67/13/07/408671307.db2.gz HOHMOVCXLHVEHZ-STQMWFEESA-N 0 1 312.410 1.991 10 0 DDAEMN Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000249196511 408703545 /nfs/dbraw/zinc/70/35/45/408703545.db2.gz QDVMRRLUKITDIT-UKRRQHHQSA-N 0 1 315.417 1.937 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCN1CCO[C@H](C)C1 ZINC000249211070 408704920 /nfs/dbraw/zinc/70/49/20/408704920.db2.gz CWHHIXSZZQMISI-UGUYLWEFSA-N 0 1 310.438 1.513 10 0 DDAEMN COC(=O)[C@]1(C)CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000177888102 408732729 /nfs/dbraw/zinc/73/27/29/408732729.db2.gz LPXCBIHNEDBYOK-MAUKXSAKSA-N 0 1 318.417 1.571 10 0 DDAEMN CCOCCN1CCN([C@@H](C)c2nnnn2C2CC2)C[C@@H]1C ZINC000192001534 163211675 /nfs/dbraw/zinc/21/16/75/163211675.db2.gz SSNJLVBQASTNFH-STQMWFEESA-N 0 1 308.430 1.112 10 0 DDAEMN CC1CCN(C(=O)CN2CCC(c3ccnn3C)CC2)CC1 ZINC000195503662 163324566 /nfs/dbraw/zinc/32/45/66/163324566.db2.gz QJWFZHGDWSBTLX-UHFFFAOYSA-N 0 1 304.438 1.858 10 0 DDAEMN C[NH2+][C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638514867 422937790 /nfs/dbraw/zinc/93/77/90/422937790.db2.gz XEGUWMXXBGCJOQ-WBVHZDCISA-N 0 1 303.450 1.963 10 0 DDAEMN CC(C)(C)n1cc(CN2CCN(CCn3ccnc3)CC2)cn1 ZINC000131193443 196148828 /nfs/dbraw/zinc/14/88/28/196148828.db2.gz IMGDFKITGMYQCW-UHFFFAOYSA-N 0 1 316.453 1.652 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000061365780 418485369 /nfs/dbraw/zinc/48/53/69/418485369.db2.gz QWKANSMDWWXSBR-MNOVXSKESA-N 0 1 316.448 1.004 10 0 DDAEMN CC1(C)C[N@H+]([C@H]2CCCCN(CC(=O)[O-])C2=O)CCS1 ZINC000643874044 423390152 /nfs/dbraw/zinc/39/01/52/423390152.db2.gz NERFZEBTCQDNNW-NSHDSACASA-N 0 1 300.424 1.280 10 0 DDAEMN O=C1Nc2ccccc2CC[C@@H]1N1CC[C@@H](N2CCOCC2)C1 ZINC000248804284 275025315 /nfs/dbraw/zinc/02/53/15/275025315.db2.gz AZQJZRMZPXZFHX-WBVHZDCISA-N 0 1 315.417 1.346 10 0 DDAEMN CCOCCNC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247023236 276325110 /nfs/dbraw/zinc/32/51/10/276325110.db2.gz SPMVHOUNTZFJSA-DLBZAZTESA-N 0 1 320.433 1.727 10 0 DDAEMN CNC(=O)[C@H](N[C@@H]1CCN(c2ccccc2OC)C1=O)C(C)C ZINC000192735174 277250343 /nfs/dbraw/zinc/25/03/43/277250343.db2.gz VSJFXLJFSFPYEJ-IUODEOHRSA-N 0 1 319.405 1.161 10 0 DDAEMN O=C([C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1)N1CCCC1 ZINC000096064918 280114481 /nfs/dbraw/zinc/11/44/81/280114481.db2.gz GFNHUCSDAQMUSF-BZUAXINKSA-N 0 1 304.390 1.881 10 0 DDAEMN COC(=O)c1sccc1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000122407993 281156382 /nfs/dbraw/zinc/15/63/82/281156382.db2.gz ZENPZVSIFBXRQK-LLVKDONJSA-N 0 1 322.390 1.535 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@@H](C)COC)C[C@H]1CC ZINC000172491688 298250165 /nfs/dbraw/zinc/25/01/65/298250165.db2.gz LIWZQMIVYDFSEL-HUUCEWRRSA-N 0 1 315.458 1.411 10 0 DDAEMN Cc1ccc(C(=O)[O-])c(N2CCC[C@@]3(CN(C)C(=O)O3)C2)[nH+]1 ZINC000072420095 301532386 /nfs/dbraw/zinc/53/23/86/301532386.db2.gz JROFDKOJXHDWMF-OAHLLOKOSA-N 0 1 305.334 1.509 10 0 DDAEMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000381782203 490777518 /nfs/dbraw/zinc/77/75/18/490777518.db2.gz FLFGTVGFYZCOJO-HZMVEIRTSA-N 0 1 319.401 1.749 10 0 DDAEMN CC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)C1(C)C ZINC000154794448 518208865 /nfs/dbraw/zinc/20/88/65/518208865.db2.gz SYRPXVXKTUUSOL-XQQFMLRXSA-N 0 1 320.393 1.264 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2Cc2nnc3n2CCCC3)n[nH]1 ZINC000328678003 534557293 /nfs/dbraw/zinc/55/72/93/534557293.db2.gz MHRBLDGEWROHNT-LBPRGKRZSA-N 0 1 301.398 1.768 10 0 DDAEMN O=C(C[C@@H]1CCCCNC1=O)N1CCN(C2CCOCC2)CC1 ZINC000328781381 534687047 /nfs/dbraw/zinc/68/70/47/534687047.db2.gz MVGLYGZJWNGAHB-AWEZNQCLSA-N 0 1 323.437 1.456 10 0 DDAEMN COCCN1CCN(Cn2nccc2-c2ccncc2)C[C@H]1C ZINC000117321882 696670709 /nfs/dbraw/zinc/67/07/09/696670709.db2.gz HBYRDHVHYFFXJV-OAHLLOKOSA-N 0 1 315.421 1.555 10 0 DDAEMN CCCn1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)cn1 ZINC000129141142 696785485 /nfs/dbraw/zinc/78/54/85/696785485.db2.gz JCRXYGHXRCWQLA-UKRRQHHQSA-N 0 1 323.441 1.602 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177194702 697410771 /nfs/dbraw/zinc/41/07/71/697410771.db2.gz VANXUCUXGQMELS-MRXNPFEDSA-N 0 1 315.421 1.156 10 0 DDAEMN CCOC1CC(CC(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)C1 ZINC000188661150 697562401 /nfs/dbraw/zinc/56/24/01/697562401.db2.gz ZSWCFJIZISYTSX-YHNBSYBMSA-N 0 1 312.454 1.495 10 0 DDAEMN Cc1cc2c(nc(N3CCCC3)nc2N2CCN(C)CC2)[nH]1 ZINC000223925437 697763278 /nfs/dbraw/zinc/76/32/78/697763278.db2.gz OHAOMNXWDDOYSB-UHFFFAOYSA-N 0 1 300.410 1.618 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000245690947 698337310 /nfs/dbraw/zinc/33/73/10/698337310.db2.gz BKYKMSMEWURCKC-NWDGAFQWSA-N 0 1 314.861 1.523 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@@](C)(O)c2ccccc2)C[C@H]1C ZINC000247080498 698361165 /nfs/dbraw/zinc/36/11/65/698361165.db2.gz HAIBVLVNRJMMOD-SJLPKXTDSA-N 0 1 306.450 1.937 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000262953828 698485727 /nfs/dbraw/zinc/48/57/27/698485727.db2.gz BCBGRAHLPGXNLD-KBHBFKLGSA-N 0 1 311.426 1.611 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)C2CCCC2)C1 ZINC000263193705 698495509 /nfs/dbraw/zinc/49/55/09/698495509.db2.gz GQGCKYGGXMSZBV-LMWSTFAQSA-N 0 1 311.426 1.802 10 0 DDAEMN O=C(c1ccc(Br)nc1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720618107 699306728 /nfs/dbraw/zinc/30/67/28/699306728.db2.gz OFWXZYKZJXRPCQ-MRVPVSSYSA-N 0 1 323.154 1.335 10 0 DDAEMN O=C(c1cccc(Br)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720638600 699307357 /nfs/dbraw/zinc/30/73/57/699307357.db2.gz WQOQTZRTZMPZBQ-JTQLQIEISA-N 0 1 322.166 1.940 10 0 DDAEMN CCO[C@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)c1ccccc1 ZINC000900394625 709574537 /nfs/dbraw/zinc/57/45/37/709574537.db2.gz VZWIURYTDPQGKX-STQMWFEESA-N 0 1 301.350 1.641 10 0 DDAEMN Cc1ccc2nc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)sc2c1 ZINC000074731583 185013615 /nfs/dbraw/zinc/01/36/15/185013615.db2.gz TZFFTDNLVWTLNY-UHFFFAOYSA-N 0 1 316.342 1.163 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000081902382 192337007 /nfs/dbraw/zinc/33/70/07/192337007.db2.gz SIHWGLQYWCJLRN-UWVGGRQHSA-N 0 1 312.391 1.101 10 0 DDAEMN COC(=O)c1cccc(NS(=O)(=O)c2cccnc2N)c1 ZINC000088070722 185238945 /nfs/dbraw/zinc/23/89/45/185238945.db2.gz VNKFTVJMSMMZNN-UHFFFAOYSA-N 0 1 307.331 1.251 10 0 DDAEMN CC(C)NC(=O)Cn1c(N)nc2ccc(Br)cc21 ZINC000087836966 185233064 /nfs/dbraw/zinc/23/30/64/185233064.db2.gz DXNPDMCEYZNEJM-UHFFFAOYSA-N 0 1 311.183 1.906 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cscn2)CCN1C[C@@H](C)O ZINC000184990235 539245445 /nfs/dbraw/zinc/24/54/45/539245445.db2.gz RHEHKQNGMCSCCZ-DGCLKSJQSA-N 0 1 312.439 1.130 10 0 DDAEMN NC(=S)CS(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000088487056 185253493 /nfs/dbraw/zinc/25/34/93/185253493.db2.gz QVIQAMMLGRDHFP-UHFFFAOYSA-N 0 1 314.310 1.613 10 0 DDAEMN COC[C@@H](C)N(C)S(=O)(=O)c1ccc(CNC(C)C)o1 ZINC000088544148 185256879 /nfs/dbraw/zinc/25/68/79/185256879.db2.gz KCLLYEILBPWRPI-LLVKDONJSA-N 0 1 304.412 1.433 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000088544397 185256937 /nfs/dbraw/zinc/25/69/37/185256937.db2.gz UZICCVRTLBIZTF-QWHCGFSZSA-N 0 1 314.407 1.331 10 0 DDAEMN CC1(C)CCC(O)(CNCc2ccc(S(N)(=O)=O)o2)CC1 ZINC000088539652 185255381 /nfs/dbraw/zinc/25/53/81/185255381.db2.gz CHCVYNALEAARFI-UHFFFAOYSA-N 0 1 316.423 1.348 10 0 DDAEMN O=C1c2ccc(Br)cc2C(=O)N1Cc1cnc[nH]1 ZINC000088759706 185264484 /nfs/dbraw/zinc/26/44/84/185264484.db2.gz DLWSZSMKXSFRBI-UHFFFAOYSA-N 0 1 306.119 1.968 10 0 DDAEMN CN1C(=O)C[C@@H](n2c(N)nc3cc(Br)ccc32)C1=O ZINC000088779753 185265495 /nfs/dbraw/zinc/26/54/95/185265495.db2.gz GKEDPHCNXMDJPR-SECBINFHSA-N 0 1 323.150 1.311 10 0 DDAEMN C[N@@H+](Cc1ccc(Br)cc1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090424229 185295755 /nfs/dbraw/zinc/29/57/55/185295755.db2.gz UVTQWQQVTOGVTE-RYUDHWBXSA-N 0 1 314.179 1.981 10 0 DDAEMN CCc1nn(C)c(CN[C@H](CO)C(C)C)c1Br ZINC000092394924 185315956 /nfs/dbraw/zinc/31/59/56/185315956.db2.gz WGMPRPUOBAXDKY-SNVBAGLBSA-N 0 1 304.232 1.852 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cnc(C)s2)CCN1C[C@@H](C)O ZINC000255263021 282242264 /nfs/dbraw/zinc/24/22/64/282242264.db2.gz LJTSMGDHVVSTBU-BYVUIAOWSA-N 0 1 323.462 1.768 10 0 DDAEMN CN[C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CCCOC ZINC000092911530 185348463 /nfs/dbraw/zinc/34/84/63/185348463.db2.gz MJPDQFLFSRQVCU-HUUCEWRRSA-N 0 1 313.419 1.332 10 0 DDAEMN CN(C)c1ccncc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000183956495 282307419 /nfs/dbraw/zinc/30/74/19/282307419.db2.gz WQGAMRQGXIKMNY-CXAGYDPISA-N 0 1 303.406 1.915 10 0 DDAEMN CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CO[C@]12C[NH+]1CCC2CC1 ZINC000669379571 539561524 /nfs/dbraw/zinc/56/15/24/539561524.db2.gz FQOYHAOULCCFKT-NHYWBVRUSA-N 0 1 312.366 1.129 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2Cl)n[nH]1 ZINC000080526917 192165227 /nfs/dbraw/zinc/16/52/27/192165227.db2.gz VDDFTCIWNZBANE-UHFFFAOYSA-N 0 1 318.761 1.726 10 0 DDAEMN CCOCCN1CCN(c2nccn(CC)c2=O)C[C@H]1CC ZINC000179721212 186210254 /nfs/dbraw/zinc/21/02/54/186210254.db2.gz PXFPJGLZFUILAN-CQSZACIVSA-N 0 1 308.426 1.200 10 0 DDAEMN Cc1cc(O)c(-c2ccnc3nc(-c4ccncc4)nn32)c(=O)o1 ZINC000072451374 191170509 /nfs/dbraw/zinc/17/05/09/191170509.db2.gz PHROFGCGLPYMQM-UHFFFAOYSA-N 0 1 321.296 1.821 10 0 DDAEMN C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1N1CCOCC1 ZINC000173850523 198259993 /nfs/dbraw/zinc/25/99/93/198259993.db2.gz ZEKISQBEWZSVOU-ABAIWWIYSA-N 0 1 304.394 1.080 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3c[nH]nc3C)C2=O)n(C)n1 ZINC000173853402 198261230 /nfs/dbraw/zinc/26/12/30/198261230.db2.gz CSVWCOWMALNJBS-ZDUSSCGKSA-N 0 1 302.382 1.045 10 0 DDAEMN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000151643889 354186029 /nfs/dbraw/zinc/18/60/29/354186029.db2.gz WEUOAZAAEAQDMB-GFCCVEGCSA-N 0 1 316.361 1.358 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2c[nH]c(C)n2)n1 ZINC000080868263 192196878 /nfs/dbraw/zinc/19/68/78/192196878.db2.gz NZKMTOSTTAMAMP-LURJTMIESA-N 0 1 301.397 1.256 10 0 DDAEMN CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@]1(N)CCOC1 ZINC000085875014 192538134 /nfs/dbraw/zinc/53/81/34/192538134.db2.gz OLBVGVQIWZLARF-AWEZNQCLSA-N 0 1 300.305 1.364 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)OCCO2 ZINC000086670980 192587546 /nfs/dbraw/zinc/58/75/46/192587546.db2.gz VTSPIUIEEJVZNB-SWLSCSKDSA-N 0 1 311.403 1.513 10 0 DDAEMN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193410876 201047325 /nfs/dbraw/zinc/04/73/25/201047325.db2.gz CDSPXARQXFZPHS-VXNVDRBHSA-N 0 1 308.325 1.380 10 0 DDAEMN CC[C@H]1CN(Cc2cncc(OC)n2)C[C@H]1N1CCOCC1 ZINC000625228125 366788879 /nfs/dbraw/zinc/78/88/79/366788879.db2.gz QMTBUCIMUCYSOL-DZGCQCFKSA-N 0 1 306.410 1.028 10 0 DDAEMN CC(C)c1n[nH]c(SCC(=O)Nc2ccccc2C(N)=O)n1 ZINC000006782141 181387632 /nfs/dbraw/zinc/38/76/32/181387632.db2.gz SEHJUEPTKHCPCW-UHFFFAOYSA-N 0 1 319.390 1.758 10 0 DDAEMN CC(C)c1nc(SCC(=O)Nc2ccccc2C(N)=O)n[nH]1 ZINC000006782141 181387634 /nfs/dbraw/zinc/38/76/34/181387634.db2.gz SEHJUEPTKHCPCW-UHFFFAOYSA-N 0 1 319.390 1.758 10 0 DDAEMN CC(C)N[C@@](CS[C@H](C)CCO)(C(N)=O)c1ccccc1 ZINC000091267223 193028522 /nfs/dbraw/zinc/02/85/22/193028522.db2.gz ZDLCDCSYRJCBOY-CZUORRHYSA-N 0 1 310.463 1.869 10 0 DDAEMN CCc1nn(CC)c(CN2C[C@@H]3CNCCN3C2=O)c1Cl ZINC000091750792 193101568 /nfs/dbraw/zinc/10/15/68/193101568.db2.gz YHOJPZIKTSXEAN-JTQLQIEISA-N 0 1 311.817 1.328 10 0 DDAEMN COc1c(CN2CCC[C@H](c3nc(C)no3)C2)c(C)nn1C ZINC000091832926 193114528 /nfs/dbraw/zinc/11/45/28/193114528.db2.gz JPWFLIPEMSGZIF-LBPRGKRZSA-N 0 1 305.382 1.808 10 0 DDAEMN CCNCc1nc(C)ccc1OCCCS(=O)(=O)CC ZINC000091994886 193138036 /nfs/dbraw/zinc/13/80/36/193138036.db2.gz AKDZFOJSHBCWDF-UHFFFAOYSA-N 0 1 300.424 1.703 10 0 DDAEMN O=C([O-])CN1CCC[N@@H+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092266845 193183009 /nfs/dbraw/zinc/18/30/09/193183009.db2.gz JCVKYKOBADUNTN-AWEZNQCLSA-N 0 1 306.431 1.796 10 0 DDAEMN O=C([O-])C[N@@H+]1CCCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092266845 193183010 /nfs/dbraw/zinc/18/30/10/193183010.db2.gz JCVKYKOBADUNTN-AWEZNQCLSA-N 0 1 306.431 1.796 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092266845 193183012 /nfs/dbraw/zinc/18/30/12/193183012.db2.gz JCVKYKOBADUNTN-AWEZNQCLSA-N 0 1 306.431 1.796 10 0 DDAEMN COc1ccc2nc(S[C@H]3CC[C@]([NH3+])(C(=O)[O-])C3)[nH]c2c1 ZINC000093850570 193319214 /nfs/dbraw/zinc/31/92/14/193319214.db2.gz QEVZFNNUZRORBN-LKFCYVNXSA-N 0 1 307.375 1.998 10 0 DDAEMN CN[C@H]1CCCc2sc(N(C)CCS(C)(=O)=O)nc21 ZINC000094301136 193359025 /nfs/dbraw/zinc/35/90/25/193359025.db2.gz DMCSYVAZTBMPEQ-VIFPVBQESA-N 0 1 303.453 1.221 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CC[C@@H]1[NH3+] ZINC000094340016 193362004 /nfs/dbraw/zinc/36/20/04/193362004.db2.gz ORZVVRXWIDCPKW-KWQFWETISA-N 0 1 313.195 1.964 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(C)cc(N)c2C)n[nH]1 ZINC000094358831 193364422 /nfs/dbraw/zinc/36/44/22/193364422.db2.gz XCGQYVZHAUCFQL-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN C[C@@H](NC(=O)c1ccc(Br)cc1N)c1nn[nH]n1 ZINC000094045762 193340587 /nfs/dbraw/zinc/34/05/87/193340587.db2.gz VZBCZXHZQPPGDS-RXMQYKEDSA-N 0 1 311.143 1.035 10 0 DDAEMN C[N@H+]1CCC[C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094226213 193351587 /nfs/dbraw/zinc/35/15/87/193351587.db2.gz MZHWQBJZIKKJNL-KWQFWETISA-N 0 1 311.304 1.033 10 0 DDAEMN CC(C)[N@@H+](CCCC(=O)[O-])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638189 193387344 /nfs/dbraw/zinc/38/73/44/193387344.db2.gz PZFYWMHMZSFSBY-OLZOCXBDSA-N 0 1 305.440 1.917 10 0 DDAEMN CCOC(=O)[C@@H]1CCCN(c2nc3[nH]cnc(=O)c3s2)C1 ZINC000021775266 182288583 /nfs/dbraw/zinc/28/85/83/182288583.db2.gz BPABLPJJZKXAHG-MRVPVSSYSA-N 0 1 308.363 1.159 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000040501823 183083336 /nfs/dbraw/zinc/08/33/36/183083336.db2.gz SMQOTAWSNXWYEN-SNVBAGLBSA-N 0 1 301.387 1.171 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000040503089 183084356 /nfs/dbraw/zinc/08/43/56/183084356.db2.gz RUBYTPHPCQQYNF-JTQLQIEISA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000040503089 183084357 /nfs/dbraw/zinc/08/43/57/183084357.db2.gz RUBYTPHPCQQYNF-JTQLQIEISA-N 0 1 318.420 1.209 10 0 DDAEMN Nc1ccc(F)c(NC(=O)CSc2nc(N)cc(N)n2)c1 ZINC000041023426 183156767 /nfs/dbraw/zinc/15/67/67/183156767.db2.gz PNYGETWSOUTKSH-UHFFFAOYSA-N 0 1 308.342 1.093 10 0 DDAEMN CCc1nc(CNC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)n[nH]1 ZINC000334092800 249212429 /nfs/dbraw/zinc/21/24/29/249212429.db2.gz OXPVROGALBUAEZ-ZFWWWQNUSA-N 0 1 307.398 1.466 10 0 DDAEMN COc1ccc(CCN2C[C@H](OC)C[C@H]2c2nnc[nH]2)cc1 ZINC000284690147 218135286 /nfs/dbraw/zinc/13/52/86/218135286.db2.gz SJLQGEUCJOSENH-CABCVRRESA-N 0 1 302.378 1.818 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000109460311 194266236 /nfs/dbraw/zinc/26/62/36/194266236.db2.gz DNLWFQXIINZEIM-CYBMUJFWSA-N 0 1 309.435 1.719 10 0 DDAEMN COCCn1cc(NC(=O)c2cnc(NN)c(Cl)c2)cn1 ZINC000051120240 183816416 /nfs/dbraw/zinc/81/64/16/183816416.db2.gz KFOPAZOVNAUTCS-UHFFFAOYSA-N 0 1 310.745 1.116 10 0 DDAEMN CCN(CC(=O)NC)c1cccc(Cl)c1CNCCOC ZINC000062737287 184252256 /nfs/dbraw/zinc/25/22/56/184252256.db2.gz BSDXXFHBKWAPEW-UHFFFAOYSA-N 0 1 313.829 1.648 10 0 DDAEMN CC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752811 184252780 /nfs/dbraw/zinc/25/27/80/184252780.db2.gz WHZOIOIZUJIMMN-QNWHQSFQSA-N 0 1 303.424 1.385 10 0 DDAEMN O=S(=O)(NOCCN1CCCCC1)c1ccc(F)cc1 ZINC000062578216 184244473 /nfs/dbraw/zinc/24/44/73/184244473.db2.gz FVETUIDJZHUASY-UHFFFAOYSA-N 0 1 302.371 1.522 10 0 DDAEMN Nc1csc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000062975780 184264225 /nfs/dbraw/zinc/26/42/25/184264225.db2.gz GTHREGBGGUEWKC-GFCCVEGCSA-N 0 1 315.464 1.579 10 0 DDAEMN CC[C@@H](O)c1cccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000062983762 184264925 /nfs/dbraw/zinc/26/49/25/184264925.db2.gz GEUMMXUKOBHKLV-DZGCQCFKSA-N 0 1 312.435 1.455 10 0 DDAEMN CCCN1CCN(Cc2nc3nc(C)cc(N(C)C)n3n2)CC1 ZINC000065311676 184324448 /nfs/dbraw/zinc/32/44/48/184324448.db2.gz LETVTAGQSBMDJF-UHFFFAOYSA-N 0 1 317.441 1.026 10 0 DDAEMN COc1ccsc1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000120616152 195202472 /nfs/dbraw/zinc/20/24/72/195202472.db2.gz WKSWAFFDFSLAFD-GHMZBOCLSA-N 0 1 316.448 1.614 10 0 DDAEMN Cn1cnc2c1[C@H](C(=O)NCCc1cccs1)CN(C)C2 ZINC000248165659 257107554 /nfs/dbraw/zinc/10/75/54/257107554.db2.gz ZOROCPGUXJMXMT-GFCCVEGCSA-N 0 1 304.419 1.370 10 0 DDAEMN Cn1cc(CN2CC[C@@H]3O[C@H](C(=O)NCC4CC4)CC[C@@H]32)cn1 ZINC000248103619 257109107 /nfs/dbraw/zinc/10/91/07/257109107.db2.gz FLBBFKMCVKNGMC-JYJNAYRXSA-N 0 1 318.421 1.068 10 0 DDAEMN COc1ccc(C[C@@H]2CN(C(=O)CN(C)C)CC[C@@H]2OC)cc1 ZINC000248024935 257110164 /nfs/dbraw/zinc/11/01/64/257110164.db2.gz SDCNWZAALMNMFZ-WBVHZDCISA-N 0 1 320.433 1.663 10 0 DDAEMN CCCn1cc(CN2CCCN(Cc3ccnn3C)CC2)cn1 ZINC000121678156 195328157 /nfs/dbraw/zinc/32/81/57/195328157.db2.gz DXRPJFLTRYXQRN-UHFFFAOYSA-N 0 1 316.453 1.735 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000121837393 195359439 /nfs/dbraw/zinc/35/94/39/195359439.db2.gz FYSXLZQMRCOGCR-MRXNPFEDSA-N 0 1 322.453 1.954 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@@H]1CC ZINC000191869650 286085744 /nfs/dbraw/zinc/08/57/44/286085744.db2.gz DGYXDQGLHYTHCT-OWCLPIDISA-N 0 1 312.454 1.761 10 0 DDAEMN CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@H+](C[C@@H]2O)[C@H]3C1)OCO5 ZINC000002004156 406682446 /nfs/dbraw/zinc/68/24/46/406682446.db2.gz YGPRSGKVLATIHT-HSHDSVGOSA-N 0 1 301.342 1.187 10 0 in-vitro DDAEMN CC(C)[N@H+]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000008698716 406792320 /nfs/dbraw/zinc/79/23/20/406792320.db2.gz DMJIGBFCUYSIIF-CQSZACIVSA-N 0 1 306.362 1.802 10 0 DDAEMN C[C@H](NCC(=O)NC(N)=O)c1cccc(Br)c1 ZINC000038012557 406997106 /nfs/dbraw/zinc/99/71/06/406997106.db2.gz FYHQZPZFFYNOPN-ZETCQYMHSA-N 0 1 300.156 1.295 10 0 DDAEMN CCC1CCC(NC(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000079551000 407058081 /nfs/dbraw/zinc/05/80/81/407058081.db2.gz NJYISUZFRZYRGP-UHFFFAOYSA-N 0 1 316.409 1.874 10 0 DDAEMN CCCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000101564095 407311191 /nfs/dbraw/zinc/31/11/91/407311191.db2.gz PIDNVGVWDDOQKJ-ZDUSSCGKSA-N 0 1 322.409 1.692 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(CCC(=O)Nc2cc(C)on2)C1 ZINC000101564095 407311193 /nfs/dbraw/zinc/31/11/93/407311193.db2.gz PIDNVGVWDDOQKJ-ZDUSSCGKSA-N 0 1 322.409 1.692 10 0 DDAEMN COC[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000103359824 407337941 /nfs/dbraw/zinc/33/79/41/407337941.db2.gz AZMAFDMTIDOVCN-AWEZNQCLSA-N 0 1 305.422 1.968 10 0 DDAEMN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCN(C)CC1 ZINC000103247471 407334613 /nfs/dbraw/zinc/33/46/13/407334613.db2.gz SKESPGSKBKEFHE-CYBMUJFWSA-N 0 1 304.394 1.361 10 0 DDAEMN CCOc1ccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000112548323 407431858 /nfs/dbraw/zinc/43/18/58/407431858.db2.gz LUAQUSUXCUTMDI-BBRMVZONSA-N 0 1 321.421 1.333 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185678251 407475587 /nfs/dbraw/zinc/47/55/87/407475587.db2.gz DPERADVVDIWOOW-IUODEOHRSA-N 0 1 311.389 1.780 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)N1CCCc2ccccc21)N(C)C ZINC000178653179 407531405 /nfs/dbraw/zinc/53/14/05/407531405.db2.gz AZYIJYVELSMBFT-INIZCTEOSA-N 0 1 317.433 1.812 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3nc(C)cs3)CCO2)n[nH]1 ZINC000130041905 407647509 /nfs/dbraw/zinc/64/75/09/407647509.db2.gz NHACRMNHOUTFRA-SECBINFHSA-N 0 1 322.394 1.737 10 0 DDAEMN COC(=O)c1ccccc1CCN1CCC[C@H](NC(C)=O)C1 ZINC000186682156 407741834 /nfs/dbraw/zinc/74/18/34/407741834.db2.gz BTJVJZMNQDRZJM-HNNXBMFYSA-N 0 1 304.390 1.616 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000262337945 407802669 /nfs/dbraw/zinc/80/26/69/407802669.db2.gz SJYQHLDVLNDLNS-BXKDBHETSA-N 0 1 315.211 1.470 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000262346115 407807001 /nfs/dbraw/zinc/80/70/01/407807001.db2.gz TZOGWNSNRRIMSF-CQSZACIVSA-N 0 1 301.346 1.464 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)CCN1CCOC ZINC000117306202 407827981 /nfs/dbraw/zinc/82/79/81/407827981.db2.gz ZQXSGJPPJUJKHD-CQSZACIVSA-N 0 1 324.425 1.270 10 0 DDAEMN CCCCO[C@@H](C)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262732808 407912132 /nfs/dbraw/zinc/91/21/32/407912132.db2.gz UUEMPWCMRBCFNV-HIFPTAJRSA-N 0 1 300.399 1.245 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H](C)SC)CCN1CCOC ZINC000133764961 407868359 /nfs/dbraw/zinc/86/83/59/407868359.db2.gz KSKTXOWVBPFQNZ-CHWSQXEVSA-N 0 1 303.472 1.490 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000262588121 407873844 /nfs/dbraw/zinc/87/38/44/407873844.db2.gz VTJPZYJGUVIFDZ-HNNXBMFYSA-N 0 1 319.405 1.661 10 0 DDAEMN Cc1[nH]ccc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262714695 407907055 /nfs/dbraw/zinc/90/70/55/407907055.db2.gz NBYPKPZDPUAATN-UHFFFAOYSA-N 0 1 305.378 1.381 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1C ZINC000245422338 407973701 /nfs/dbraw/zinc/97/37/01/407973701.db2.gz PKUFEXSWWARRFZ-STQMWFEESA-N 0 1 301.390 1.695 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000174081025 407913755 /nfs/dbraw/zinc/91/37/55/407913755.db2.gz JPOFIYISNWDQMU-CYBMUJFWSA-N 0 1 310.394 1.263 10 0 DDAEMN COc1c(CNC(=O)N2CCN3CCCC[C@@H]3C2)c(C)nn1C ZINC000153833675 407914168 /nfs/dbraw/zinc/91/41/68/407914168.db2.gz NWODYVFQYOLEKE-CYBMUJFWSA-N 0 1 321.425 1.117 10 0 DDAEMN CCC[C@@H](C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262963078 407986522 /nfs/dbraw/zinc/98/65/22/407986522.db2.gz QMYPDAQKWIDHAQ-CHWSQXEVSA-N 0 1 300.399 1.057 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)c2cccnc2)CCN1CCOC ZINC000245470139 407993862 /nfs/dbraw/zinc/99/38/62/407993862.db2.gz VZWMRMUAHOJDCL-GDBMZVCRSA-N 0 1 305.422 1.754 10 0 DDAEMN CCOCCCCNC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175416434 408124294 /nfs/dbraw/zinc/12/42/94/408124294.db2.gz JPQIVTHUGIFLDJ-GFCCVEGCSA-N 0 1 311.386 1.013 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)CCC2CC2)C1 ZINC000263415205 408133829 /nfs/dbraw/zinc/13/38/29/408133829.db2.gz VUXVAPRCQBYFTL-LMWSTFAQSA-N 0 1 311.426 1.802 10 0 DDAEMN O[C@@H](CCc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000182353090 408135832 /nfs/dbraw/zinc/13/58/32/408135832.db2.gz NBNLSXBQYHDCKB-ROUUACIJSA-N 0 1 315.417 1.578 10 0 DDAEMN CCc1ncsc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263427770 408138207 /nfs/dbraw/zinc/13/82/07/408138207.db2.gz MLORZAUJKMUGPL-UHFFFAOYSA-N 0 1 311.407 1.373 10 0 DDAEMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCNC2=O)C12CCCC2 ZINC000121216229 408164939 /nfs/dbraw/zinc/16/49/39/408164939.db2.gz PVIOAKDVGBMFEQ-CHWSQXEVSA-N 0 1 309.410 1.208 10 0 DDAEMN CC(C)Cn1cnc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000246468677 408264306 /nfs/dbraw/zinc/26/43/06/408264306.db2.gz NXZRMLQVURPJFD-ZDUSSCGKSA-N 0 1 312.439 1.008 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246299928 408213491 /nfs/dbraw/zinc/21/34/91/408213491.db2.gz BTAIMJOECSAXKP-BBWFWOEESA-N 0 1 323.481 1.430 10 0 DDAEMN CCc1csc([C@H]2CCCN(CCN3C(=O)CNC3=O)C2)n1 ZINC000157037447 408286046 /nfs/dbraw/zinc/28/60/46/408286046.db2.gz QCQYQDVVLGUILA-NSHDSACASA-N 0 1 322.434 1.437 10 0 DDAEMN Cn1cc(N2CCC[C@@H](N[C@H](CO)c3ccccc3)C2=O)cn1 ZINC000182931562 408287111 /nfs/dbraw/zinc/28/71/11/408287111.db2.gz BNDVJPLEKUFKHR-HZPDHXFCSA-N 0 1 314.389 1.239 10 0 DDAEMN C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)CN(C)C)CC2)CC(C)(C)C1 ZINC000183138315 408336718 /nfs/dbraw/zinc/33/67/18/408336718.db2.gz ZJRZGBPREAQREM-CABCVRRESA-N 0 1 323.481 1.681 10 0 DDAEMN CC[C@H](NS(=O)(=O)c1scnc1C(=O)OC)C(C)C ZINC000134696607 162083758 /nfs/dbraw/zinc/08/37/58/162083758.db2.gz IEGPWRLKUMDIEM-QMMMGPOBSA-N 0 1 306.409 1.643 10 0 DDAEMN C[C@H](C(=O)NCc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246854080 408353016 /nfs/dbraw/zinc/35/30/16/408353016.db2.gz FCIDIUZMCZZSEG-NVXWUHKLSA-N 0 1 317.433 1.098 10 0 DDAEMN CCn1ccnc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000171592292 162228574 /nfs/dbraw/zinc/22/85/74/162228574.db2.gz XRGJELFOKCSAAZ-UHFFFAOYSA-N 0 1 302.426 1.344 10 0 DDAEMN C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C ZINC000176451477 408369459 /nfs/dbraw/zinc/36/94/59/408369459.db2.gz PKUFEXSWWARRFZ-CHWSQXEVSA-N 0 1 301.390 1.695 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C ZINC000176451477 408369464 /nfs/dbraw/zinc/36/94/64/408369464.db2.gz PKUFEXSWWARRFZ-CHWSQXEVSA-N 0 1 301.390 1.695 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)NC3CCCCC3)CCO2)n[nH]1 ZINC000173352961 162333967 /nfs/dbraw/zinc/33/39/67/162333967.db2.gz PVXMQAJPVLLLPT-SMDDNHRTSA-N 0 1 321.425 1.324 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCc3cccc(C)c3)CCO2)n[nH]1 ZINC000173531597 162345408 /nfs/dbraw/zinc/34/54/08/162345408.db2.gz BIEDMTWWTHIRIP-OAHLLOKOSA-N 0 1 314.389 1.954 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(Cl)cn3C)CCO2)n[nH]1 ZINC000173532503 162346027 /nfs/dbraw/zinc/34/60/27/162346027.db2.gz CXMOJBARSSXCBG-LLVKDONJSA-N 0 1 309.757 1.319 10 0 DDAEMN COc1ccsc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173545220 162347310 /nfs/dbraw/zinc/34/73/10/162347310.db2.gz OSGAHGHLRRGUAQ-JTQLQIEISA-N 0 1 308.363 1.397 10 0 DDAEMN COc1cc(C)sc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173538643 162347998 /nfs/dbraw/zinc/34/79/98/162347998.db2.gz HYQFENCBXZGMFN-NSHDSACASA-N 0 1 322.390 1.705 10 0 DDAEMN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccs1 ZINC000173725924 162359853 /nfs/dbraw/zinc/35/98/53/162359853.db2.gz NSBDDCNUDIXYFO-VXGBXAGGSA-N 0 1 300.449 1.995 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)N1CC[C@H](N2CCOCC2)C1)C(C)C ZINC000173956268 162382249 /nfs/dbraw/zinc/38/22/49/162382249.db2.gz AZLDDTCTTUOGBW-CVEARBPZSA-N 0 1 311.470 1.427 10 0 DDAEMN COc1cccc(COC[C@H](O)CN2[C@@H](C)COC[C@@H]2C)c1 ZINC000247332465 408451591 /nfs/dbraw/zinc/45/15/91/408451591.db2.gz XYGPUMPXPWSRFK-OFQRWUPVSA-N 0 1 309.406 1.682 10 0 DDAEMN CCNC(=O)NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247338327 408454071 /nfs/dbraw/zinc/45/40/71/408454071.db2.gz FXYRQEIEOLYKDW-LSDHHAIUSA-N 0 1 319.405 1.420 10 0 DDAEMN CCOC(=O)[C@@H](CC)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000247513305 408485365 /nfs/dbraw/zinc/48/53/65/408485365.db2.gz MSOPGQVPHUITOQ-HUUCEWRRSA-N 0 1 308.426 1.949 10 0 DDAEMN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cnn(C)c2)CC1 ZINC000191977656 408514283 /nfs/dbraw/zinc/51/42/83/408514283.db2.gz TXDDLHQAQXAQBX-UHFFFAOYSA-N 0 1 322.453 1.658 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000163030992 286943345 /nfs/dbraw/zinc/94/33/45/286943345.db2.gz GYWKDIPVILDXME-WBVHZDCISA-N 0 1 320.433 1.598 10 0 DDAEMN CC(C)[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)N1CCN(C)CC1 ZINC000191677511 408470909 /nfs/dbraw/zinc/47/09/09/408470909.db2.gz JFQPAUBZFBXRSJ-PMPSAXMXSA-N 0 1 311.470 1.190 10 0 DDAEMN C[C@H](C[S@](C)=O)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000248461740 408573415 /nfs/dbraw/zinc/57/34/15/408573415.db2.gz VDHSHZRTZALPSU-YOEYROIRSA-N 0 1 311.451 1.356 10 0 DDAEMN CN(Cc1nnc[nH]1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000177147156 408533918 /nfs/dbraw/zinc/53/39/18/408533918.db2.gz GKHISERWSNUBHP-ZDUSSCGKSA-N 0 1 310.785 1.468 10 0 DDAEMN CCCCOC[C@H](O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000248645669 408607535 /nfs/dbraw/zinc/60/75/35/408607535.db2.gz GOZBVHZIMSCQKI-SJORKVTESA-N 0 1 320.433 1.727 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(O)c2)CCN1C[C@@H](C)O ZINC000184925042 408720220 /nfs/dbraw/zinc/72/02/20/408720220.db2.gz RFSUVEXOLKYEBI-HIFRSBDPSA-N 0 1 321.421 1.379 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(C)c1 ZINC000252441879 408794169 /nfs/dbraw/zinc/79/41/69/408794169.db2.gz BAFOBAJICKJEDT-ZDUSSCGKSA-N 0 1 310.419 1.472 10 0 DDAEMN C[C@H](CNc1nc[nH]c(=O)c1I)C1CC1 ZINC000165334665 408809381 /nfs/dbraw/zinc/80/93/81/408809381.db2.gz ZWGWOXXRYUJDDM-ZCFIWIBFSA-N 0 1 319.146 1.833 10 0 DDAEMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000177992384 408752683 /nfs/dbraw/zinc/75/26/83/408752683.db2.gz QUUNEIMNUXTHIT-DYVFJYSZSA-N 0 1 323.437 1.382 10 0 DDAEMN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000249726357 408760608 /nfs/dbraw/zinc/76/06/08/408760608.db2.gz OFUCCWMSZVYZPW-JKSUJKDBSA-N 0 1 319.449 1.332 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000194158303 408768518 /nfs/dbraw/zinc/76/85/18/408768518.db2.gz SQFRJWBXPGFDOM-CYBMUJFWSA-N 0 1 318.421 1.292 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000194310627 408775741 /nfs/dbraw/zinc/77/57/41/408775741.db2.gz RCXWRUGHAJNMET-NSHDSACASA-N 0 1 300.362 1.137 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000194310627 408775743 /nfs/dbraw/zinc/77/57/43/408775743.db2.gz RCXWRUGHAJNMET-NSHDSACASA-N 0 1 300.362 1.137 10 0 DDAEMN C[C@H]1C(=O)NCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000188907067 163076732 /nfs/dbraw/zinc/07/67/32/163076732.db2.gz OHYVVJMQIHICJQ-JTQLQIEISA-N 0 1 316.336 1.566 10 0 DDAEMN CCOc1ccccc1NC(=O)CCN1CCCNC(=O)[C@H]1C ZINC000189334762 163096568 /nfs/dbraw/zinc/09/65/68/163096568.db2.gz CNBWEDBIIGMZFV-CYBMUJFWSA-N 0 1 319.405 1.624 10 0 DDAEMN CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2cnn(CC)c2)CC1 ZINC000195500250 163325172 /nfs/dbraw/zinc/32/51/72/163325172.db2.gz LUGIXQYDAOQISL-GFCCVEGCSA-N 0 1 321.425 1.317 10 0 DDAEMN CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000360702167 418495573 /nfs/dbraw/zinc/49/55/73/418495573.db2.gz ZOMJIQLVFLGIPO-IMJJTQAJSA-N 0 1 309.454 1.622 10 0 DDAEMN COc1nsc(CN[C@H]2CCOC[C@@H]2O)c1Br ZINC000630074321 421873992 /nfs/dbraw/zinc/87/39/92/421873992.db2.gz OFGNHQLPGJHBKE-BQBZGAKWSA-N 0 1 323.212 1.154 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2COC)C1 ZINC000194156806 263505156 /nfs/dbraw/zinc/50/51/56/263505156.db2.gz UPXNSNHQRRNWSB-AWEZNQCLSA-N 0 1 319.405 1.372 10 0 DDAEMN COC[C@@H]1C[C@@H](OC)CN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000344387262 272013966 /nfs/dbraw/zinc/01/39/66/272013966.db2.gz ULYIQJCGQIYQBT-QWHCGFSZSA-N 0 1 317.389 1.614 10 0 DDAEMN CC[C@@H]1CCC[C@@H](CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000263536737 280285970 /nfs/dbraw/zinc/28/59/70/280285970.db2.gz ZQUJIZRBNLLTLE-OAGGEKHMSA-N 0 1 312.454 1.920 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247047291 282031282 /nfs/dbraw/zinc/03/12/82/282031282.db2.gz ZERVTVHYDQCBPG-GJZGRUSLSA-N 0 1 314.470 1.621 10 0 DDAEMN CCCC(O)(CCC)CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247047291 282031285 /nfs/dbraw/zinc/03/12/85/282031285.db2.gz ZERVTVHYDQCBPG-GJZGRUSLSA-N 0 1 314.470 1.621 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000262332237 292816791 /nfs/dbraw/zinc/81/67/91/292816791.db2.gz RTMNTCARMKQARJ-ZCFIWIBFSA-N 0 1 308.222 1.303 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCOCc2ccccc2)C[C@@H]1C ZINC000174335940 298256940 /nfs/dbraw/zinc/25/69/40/298256940.db2.gz UIGUHRWZNMUWKP-JKSUJKDBSA-N 0 1 320.433 1.507 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cnccc3N(C)C)CCO2)no1 ZINC000363912768 300325060 /nfs/dbraw/zinc/32/50/60/300325060.db2.gz TYJJGDVYGZAEBB-CYBMUJFWSA-N 0 1 317.349 1.053 10 0 DDAEMN COC(=O)c1ccc(F)c(CNc2ncnc3[nH]cnc32)c1 ZINC000302178522 534172056 /nfs/dbraw/zinc/17/20/56/534172056.db2.gz NJHAGQQYVRCBPX-UHFFFAOYSA-N 0 1 301.281 1.891 10 0 DDAEMN c1nnc([C@@H]2COCCN2CCc2ccc3c(c2)OCCO3)[nH]1 ZINC000328861888 534534919 /nfs/dbraw/zinc/53/49/19/534534919.db2.gz ATTISBGDHBVRTF-ZDUSSCGKSA-N 0 1 316.361 1.192 10 0 DDAEMN O=C([N-]CCC[NH+]1CCC(c2cc[nH]n2)CC1)C(F)(F)F ZINC000154792549 527660486 /nfs/dbraw/zinc/66/04/86/527660486.db2.gz YSEOGVIACXQZMS-UHFFFAOYSA-N 0 1 304.316 1.658 10 0 DDAEMN COC1(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)CCC1 ZINC000333694092 536627565 /nfs/dbraw/zinc/62/75/65/536627565.db2.gz MWHBLWPDHZFFJV-CYBMUJFWSA-N 0 1 306.410 1.805 10 0 DDAEMN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000171551661 697359596 /nfs/dbraw/zinc/35/95/96/697359596.db2.gz MQCLOYCKVKBEQA-WCBMZHEXSA-N 0 1 311.386 1.991 10 0 DDAEMN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000171551661 697359598 /nfs/dbraw/zinc/35/95/98/697359598.db2.gz MQCLOYCKVKBEQA-WCBMZHEXSA-N 0 1 311.386 1.991 10 0 DDAEMN CC[C@@H]1CN(C(=O)COC2CCCCC2)CCN1C[C@@H](C)O ZINC000174615493 697390603 /nfs/dbraw/zinc/39/06/03/697390603.db2.gz WNXISWXGGGAPHN-HUUCEWRRSA-N 0 1 312.454 1.639 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177169510 697410584 /nfs/dbraw/zinc/41/05/84/697410584.db2.gz LKXSDEYYKGFSQJ-YRGRVCCFSA-N 0 1 311.426 1.499 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000183664112 697491737 /nfs/dbraw/zinc/49/17/37/697491737.db2.gz FHTYLOLNZAGITP-DCAQKATOSA-N 0 1 324.343 1.357 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C[C@@H]3CCCOC3)CCO2)n[nH]1 ZINC000193383559 697663365 /nfs/dbraw/zinc/66/33/65/697663365.db2.gz QXZJNHFSSNDEAC-RYUDHWBXSA-N 0 1 308.382 1.084 10 0 DDAEMN CCCCOC(=O)[C@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000246929516 698357552 /nfs/dbraw/zinc/35/75/52/698357552.db2.gz QIULIEMHAQWZBV-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)NC(C)C ZINC000262210179 698459813 /nfs/dbraw/zinc/45/98/13/698459813.db2.gz OBDSCKLSVXZPJL-LLVKDONJSA-N 0 1 313.785 1.390 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2CCc3ccccc32)C1 ZINC000262860952 698482109 /nfs/dbraw/zinc/48/21/09/698482109.db2.gz ZHBAVLWLJSALNP-ZBCRRDGASA-N 0 1 316.401 1.770 10 0 DDAEMN CCn1cc(CNCC2CC(NC(=O)OC(C)(C)C)C2)nn1 ZINC000711474692 699258136 /nfs/dbraw/zinc/25/81/36/699258136.db2.gz HRVBILVGJULGJI-UHFFFAOYSA-N 0 1 309.414 1.691 10 0 DDAEMN Cc1n[nH]cc1CN1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818188114 702601549 /nfs/dbraw/zinc/60/15/49/702601549.db2.gz MDIWUKAUBLYYOX-MRXNPFEDSA-N 0 1 317.393 1.548 10 0 DDAEMN CCc1ccc(CN2CCC[C@](O)(Cc3nncn3C)C2)o1 ZINC000886088899 708696176 /nfs/dbraw/zinc/69/61/76/708696176.db2.gz OORWIEDTMDYRLV-INIZCTEOSA-N 0 1 304.394 1.540 10 0 DDAEMN Cc1ncoc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000074645742 185005332 /nfs/dbraw/zinc/00/53/32/185005332.db2.gz HKGAMGVGMZOBLO-UHFFFAOYSA-N 0 1 314.389 1.916 10 0 DDAEMN CN[C@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000081924432 192340212 /nfs/dbraw/zinc/34/02/12/192340212.db2.gz DRVZCSUHVSFVOR-GFCCVEGCSA-N 0 1 313.419 1.932 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(c2nc(CC)ns2)CC1 ZINC000087639967 185229699 /nfs/dbraw/zinc/22/96/99/185229699.db2.gz IMSMNMWAFCEZEU-SNVBAGLBSA-N 0 1 313.496 1.677 10 0 DDAEMN O=C1CNCCCN1Cc1ccc(F)cc1Br ZINC000087882192 185234545 /nfs/dbraw/zinc/23/45/45/185234545.db2.gz MVTBYBHLJWFONY-UHFFFAOYSA-N 0 1 301.159 1.910 10 0 DDAEMN CCN(C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O)C(C)C ZINC000087894416 185235213 /nfs/dbraw/zinc/23/52/13/185235213.db2.gz VTANGTQCTYXLDX-UHFFFAOYSA-N 0 1 302.400 1.051 10 0 DDAEMN C[NH+]1CCN([C@@H](C(=O)[O-])c2ccccc2OC(F)F)CC1 ZINC000088045275 185237955 /nfs/dbraw/zinc/23/79/55/185237955.db2.gz DIAAPBJJXHZOFM-GFCCVEGCSA-N 0 1 300.305 1.661 10 0 DDAEMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1cccnc1N ZINC000088070910 185238958 /nfs/dbraw/zinc/23/89/58/185238958.db2.gz WLJIMXPOZQMCJT-UHFFFAOYSA-N 0 1 312.439 1.159 10 0 DDAEMN CCC(CC)N1C[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)CC1=O ZINC000249866712 282196983 /nfs/dbraw/zinc/19/69/83/282196983.db2.gz ICTIBCIPOXNJAS-HOCLYGCPSA-N 0 1 321.465 1.720 10 0 DDAEMN CCC[C@H](COC)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540855 185255789 /nfs/dbraw/zinc/25/57/89/185255789.db2.gz XTOAPZBNWQKDMO-LLVKDONJSA-N 0 1 304.412 1.435 10 0 DDAEMN CCO[C@H]1CCCN(S(=O)(=O)c2ccc(CNC)o2)C1 ZINC000088544459 185256578 /nfs/dbraw/zinc/25/65/78/185256578.db2.gz CTXFLYKDMPLOTM-LBPRGKRZSA-N 0 1 302.396 1.189 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000088543469 185256615 /nfs/dbraw/zinc/25/66/15/185256615.db2.gz YADZSXIDAQOBHA-GHMZBOCLSA-N 0 1 302.396 1.187 10 0 DDAEMN CCCOc1ccc([C@@H](N)CS(=O)(=O)CCCOC)cc1 ZINC000081985873 192349584 /nfs/dbraw/zinc/34/95/84/192349584.db2.gz TUJSMHJNECOGQF-HNNXBMFYSA-N 0 1 315.435 1.927 10 0 DDAEMN CNCc1cc(S(=O)(=O)NCc2c(C)noc2C)c(C)o1 ZINC000092344226 185313310 /nfs/dbraw/zinc/31/33/10/185313310.db2.gz XUIFTMCMPBGXJJ-UHFFFAOYSA-N 0 1 313.379 1.391 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379609112 539502946 /nfs/dbraw/zinc/50/29/46/539502946.db2.gz GPNZLWHJFZCJED-HNNXBMFYSA-N 0 1 319.405 1.767 10 0 DDAEMN COC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000172617539 198125281 /nfs/dbraw/zinc/12/52/81/198125281.db2.gz AONAGCZVSWYLNV-JKSUJKDBSA-N 0 1 306.406 1.033 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(F)cc(F)c3)CCO2)n[nH]1 ZINC000173560004 198227480 /nfs/dbraw/zinc/22/74/80/198227480.db2.gz WTAXXOYOASWMCN-GFCCVEGCSA-N 0 1 322.315 1.859 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)n[nH]1 ZINC000173686911 198240884 /nfs/dbraw/zinc/24/08/84/198240884.db2.gz JLGFXZJLGIAMCI-HNNXBMFYSA-N 0 1 314.389 1.876 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081695174 192314292 /nfs/dbraw/zinc/31/42/92/192314292.db2.gz UBPKDAZAETWJTJ-SECBINFHSA-N 0 1 318.830 1.032 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)NC[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000090957717 192965452 /nfs/dbraw/zinc/96/54/52/192965452.db2.gz YRCIJLUDHYEXPL-GUBZILKMSA-N 0 1 311.407 1.784 10 0 DDAEMN CO[C@@H]1CN(c2ccc(C(F)(F)F)nn2)C[C@H]1c1cn[nH]n1 ZINC000621336437 364811685 /nfs/dbraw/zinc/81/16/85/364811685.db2.gz YKVOMNXQWQBVRT-IONNQARKSA-N 0 1 314.271 1.232 10 0 DDAEMN CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776224 193304788 /nfs/dbraw/zinc/30/47/88/193304788.db2.gz AFVQCFVKAVJYAQ-IINYFYTJSA-N 0 1 310.423 1.027 10 0 DDAEMN CCS(=O)(=O)CCCOc1ccc(CNCCOC)nc1 ZINC000094212478 193349384 /nfs/dbraw/zinc/34/93/84/193349384.db2.gz QPQXCFZYMNNSJM-UHFFFAOYSA-N 0 1 316.423 1.021 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094225581 193351395 /nfs/dbraw/zinc/35/13/95/193351395.db2.gz BNALBGVAJJYONY-KCJUWKMLSA-N 0 1 311.304 1.176 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094227728 193352496 /nfs/dbraw/zinc/35/24/96/193352496.db2.gz JTUYDXJIORKZNX-KWQFWETISA-N 0 1 311.304 1.128 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+]2CCSC[C@@H]2CC(=O)[O-])C1 ZINC000094638414 193388150 /nfs/dbraw/zinc/38/81/50/193388150.db2.gz NTBKUWSLWDSOLW-GRYCIOLGSA-N 0 1 321.464 1.234 10 0 DDAEMN Cc1nnc(N2CCN3CCCC[C@@H]3C2)c(C(N)=S)c1C ZINC000094440019 193370161 /nfs/dbraw/zinc/37/01/61/193370161.db2.gz QMEOFNSZIHNQEI-GFCCVEGCSA-N 0 1 305.451 1.402 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000094779010 193396680 /nfs/dbraw/zinc/39/66/80/193396680.db2.gz RIIPCMGZSKOTKD-UHFFFAOYSA-N 0 1 315.414 1.431 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@H](N2CCc3ccc(N)cc3C2)C1 ZINC000094792409 193398542 /nfs/dbraw/zinc/39/85/42/193398542.db2.gz PCZHBXJRIRGBEK-HOTGVXAUSA-N 0 1 308.447 1.983 10 0 DDAEMN COc1ccc(NS(=O)(=O)c2ccc(C(N)=S)cc2)cn1 ZINC000020016141 182178287 /nfs/dbraw/zinc/17/82/87/182178287.db2.gz BARSSMQWDHJLNF-UHFFFAOYSA-N 0 1 323.399 1.525 10 0 DDAEMN CN(C)C(C)(C)CNC(=O)CCS(=O)(=O)c1ccccc1 ZINC000040654611 183114039 /nfs/dbraw/zinc/11/40/39/183114039.db2.gz GQTANKRIUQUWQG-UHFFFAOYSA-N 0 1 312.435 1.307 10 0 DDAEMN CC(C)CCCCCCNC(=O)[C@H](N)CCS(C)(=O)=O ZINC000040830305 183139444 /nfs/dbraw/zinc/13/94/44/183139444.db2.gz AUJIVTAKHGPJAH-CYBMUJFWSA-N 0 1 306.472 1.471 10 0 DDAEMN C[C@@H](C[N@@H+](C)CC(=O)Nc1ncc(Cl)cc1Cl)C(=O)[O-] ZINC000042705588 183299818 /nfs/dbraw/zinc/29/98/18/183299818.db2.gz JHAIJAFDJSCECD-ZETCQYMHSA-N 0 1 320.176 1.979 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000284561067 218079179 /nfs/dbraw/zinc/07/91/79/218079179.db2.gz MFPVLWHUIVLKRH-CVEARBPZSA-N 0 1 324.388 1.952 10 0 DDAEMN CC[C@H]1CN(Cc2nc(CC(C)C)no2)CCN1CCOC ZINC000105836654 194143211 /nfs/dbraw/zinc/14/32/11/194143211.db2.gz VXOABSATKYPRFZ-AWEZNQCLSA-N 0 1 310.442 1.811 10 0 DDAEMN CCCCCNC(=O)CN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105920032 194171159 /nfs/dbraw/zinc/17/11/59/194171159.db2.gz RXHXRPQKZLQXSZ-MRXNPFEDSA-N 0 1 321.469 1.913 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000106397694 194205541 /nfs/dbraw/zinc/20/55/41/194205541.db2.gz NRMMHLZPVOEUQI-BWPKMQGJSA-N 0 1 307.369 1.149 10 0 DDAEMN CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000106403248 194207725 /nfs/dbraw/zinc/20/77/25/194207725.db2.gz PQNUQRBEWYFMCH-LBPRGKRZSA-N 0 1 312.797 1.574 10 0 DDAEMN NCc1nccn1CC(=O)Nc1ccc(Br)cc1 ZINC000051004153 183810432 /nfs/dbraw/zinc/81/04/32/183810432.db2.gz FXGMYLQGHXFSFS-UHFFFAOYSA-N 0 1 309.167 1.743 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000109468603 194266424 /nfs/dbraw/zinc/26/64/24/194266424.db2.gz PPMFPTMKKUEOJH-GFCCVEGCSA-N 0 1 303.435 1.127 10 0 DDAEMN CCCOCCC(=O)N1CCN([C@@H](CCC)C(N)=S)CC1 ZINC000109464678 194265643 /nfs/dbraw/zinc/26/56/43/194265643.db2.gz DAQOZKBCWPUMFH-ZDUSSCGKSA-N 0 1 315.483 1.402 10 0 DDAEMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cnccc1Cl ZINC000059818191 184141198 /nfs/dbraw/zinc/14/11/98/184141198.db2.gz XIOPSANMDWNOAT-SNVBAGLBSA-N 0 1 303.815 1.498 10 0 DDAEMN Clc1nc(N[C@@H]2CN3CCC2CC3)nc(N2CCCC2)n1 ZINC000061536717 184172578 /nfs/dbraw/zinc/17/25/78/184172578.db2.gz JEYHHPJRGQDOHS-LLVKDONJSA-N 0 1 308.817 1.631 10 0 DDAEMN CNS(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000062370556 184233430 /nfs/dbraw/zinc/23/34/30/184233430.db2.gz CQOBGQMWHACSLD-CYBMUJFWSA-N 0 1 301.387 1.016 10 0 DDAEMN COCCNCc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000062730989 184251403 /nfs/dbraw/zinc/25/14/03/184251403.db2.gz JXRMWXFXMYHKHD-UHFFFAOYSA-N 0 1 321.826 1.499 10 0 DDAEMN COC(=O)[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000064845033 184304726 /nfs/dbraw/zinc/30/47/26/184304726.db2.gz LQBZFHNHNYQWDT-CQSZACIVSA-N 0 1 310.313 1.602 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC3(C(C)C)CC3)CCO2)n[nH]1 ZINC000120580029 195194627 /nfs/dbraw/zinc/19/46/27/195194627.db2.gz XCTXODDXAOAOMX-LBPRGKRZSA-N 0 1 321.425 1.886 10 0 DDAEMN COCCOc1ccccc1CN1CCN(CCOC)[C@@H](C)C1 ZINC000120837566 195248189 /nfs/dbraw/zinc/24/81/89/195248189.db2.gz CQSUKZLPYQSXQX-INIZCTEOSA-N 0 1 322.449 1.864 10 0 DDAEMN Cc1nc([C@@H]2C[C@H]3CCN(C(=O)c4ccoc4)C[C@@H]3O2)n[nH]1 ZINC000248051108 257108952 /nfs/dbraw/zinc/10/89/52/257108952.db2.gz SDAAUHGKYTXJBL-WXHSDQCUSA-N 0 1 302.334 1.698 10 0 DDAEMN Cc1nn(C)cc1CN1CC[C@H]2OCCN(CC3CC3)[C@@H]2C1 ZINC000248100576 257109267 /nfs/dbraw/zinc/10/92/67/257109267.db2.gz DQYDOOKSKCJIIO-IAGOWNOFSA-N 0 1 304.438 1.414 10 0 DDAEMN CCO[C@@H]1C[C@@](N)(C(=O)NCC[S@](=O)C(C)(C)C)C1(C)C ZINC000249049374 286306693 /nfs/dbraw/zinc/30/66/93/286306693.db2.gz AIMIQJPLSQXLFC-OGXQQIFESA-N 0 1 318.483 1.182 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000123454482 407329623 /nfs/dbraw/zinc/32/96/23/407329623.db2.gz GSOPBINADICBCJ-QGZVFWFLSA-N 0 1 308.397 1.673 10 0 DDAEMN CC[C@@H]1CN(C[C@](C)(O)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000105827827 407355499 /nfs/dbraw/zinc/35/54/99/407355499.db2.gz NQXQABMDMLNCEL-NXHRZFHOSA-N 0 1 306.450 1.671 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@H](O)CC)CC2)o1 ZINC000123603874 407334154 /nfs/dbraw/zinc/33/41/54/407334154.db2.gz HWJFBTLCXBEQHC-CYBMUJFWSA-N 0 1 310.394 1.345 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000113305347 407495094 /nfs/dbraw/zinc/49/50/94/407495094.db2.gz QRTSVGILKOEJEW-ZWNOBZJWSA-N 0 1 316.373 1.822 10 0 DDAEMN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240264 407441257 /nfs/dbraw/zinc/44/12/57/407441257.db2.gz JHXLBAGUPFUXKO-ZYHUDNBSSA-N 0 1 300.362 1.796 10 0 DDAEMN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240264 407441260 /nfs/dbraw/zinc/44/12/60/407441260.db2.gz JHXLBAGUPFUXKO-ZYHUDNBSSA-N 0 1 300.362 1.796 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C3(OC)CCCCC3)CCO2)n[nH]1 ZINC000185553388 407451749 /nfs/dbraw/zinc/45/17/49/407451749.db2.gz HIEBFRCITPRWED-GFCCVEGCSA-N 0 1 322.409 1.616 10 0 DDAEMN CCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccccc1)N(C)C ZINC000178652382 407531519 /nfs/dbraw/zinc/53/15/19/407531519.db2.gz LDKAFBARETVJLS-ZFWWWQNUSA-N 0 1 305.422 1.538 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1CCc1nc(-c2ccccc2)no1 ZINC000114206122 407549825 /nfs/dbraw/zinc/54/98/25/407549825.db2.gz LIHHSDWGJWGUAR-CQSZACIVSA-N 0 1 314.389 1.832 10 0 DDAEMN CCN(CC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1)C1CC1 ZINC000152433927 407632878 /nfs/dbraw/zinc/63/28/78/407632878.db2.gz LUOWKCVKNMHQRE-INIZCTEOSA-N 0 1 320.437 1.212 10 0 DDAEMN CCc1nnc(CN(C)CC(C)(C)CN2CCOCC2)n1C ZINC000178937983 407666864 /nfs/dbraw/zinc/66/68/64/407666864.db2.gz LQLCTJLGBGBQNO-UHFFFAOYSA-N 0 1 309.458 1.168 10 0 DDAEMN O=S(=O)(c1ccc(F)c(F)c1F)N1CCN2CCC[C@@H]2C1 ZINC000171770567 407765319 /nfs/dbraw/zinc/76/53/19/407765319.db2.gz HPAZALTZORBTAZ-SECBINFHSA-N 0 1 320.336 1.573 10 0 DDAEMN CC[C@H]1CN(C(=O)NC2CCC(O)CC2)CCN1CCOC ZINC000117467757 407837263 /nfs/dbraw/zinc/83/72/63/407837263.db2.gz WUSRWUNUDDORJW-SLTAFYQDSA-N 0 1 313.442 1.042 10 0 DDAEMN CC[C@H]1CN([C@H](C(=O)OC)c2ccccc2)CCN1CCOC ZINC000117880078 407866146 /nfs/dbraw/zinc/86/61/46/407866146.db2.gz FTGSCBMSBGHRDL-IRXDYDNUSA-N 0 1 320.433 1.943 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)c(F)c3)CCO2)n[nH]1 ZINC000173528633 407885038 /nfs/dbraw/zinc/88/50/38/407885038.db2.gz CKZNUKZWDCZOCV-LBPRGKRZSA-N 0 1 308.288 1.605 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262500183 407849793 /nfs/dbraw/zinc/84/97/93/407849793.db2.gz NIXHNFZQCVJEAE-ZDUSSCGKSA-N 0 1 313.442 1.162 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)CSC[C@H]2CCCCO2)C1 ZINC000245402596 407961999 /nfs/dbraw/zinc/96/19/99/407961999.db2.gz IPZKMDHRYYKQIV-ZIAGYGMSSA-N 0 1 300.468 1.889 10 0 DDAEMN Cc1nc([C@H]2CN(CCCCC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000181923595 408052143 /nfs/dbraw/zinc/05/21/43/408052143.db2.gz USGXQQYRGCUROS-CYBMUJFWSA-N 0 1 324.425 1.998 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)CC1 ZINC000181378256 407988656 /nfs/dbraw/zinc/98/86/56/407988656.db2.gz WFOXGPFXNRHJBX-WXRRBKDZSA-N 0 1 320.393 1.838 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000174768561 407989284 /nfs/dbraw/zinc/98/92/84/407989284.db2.gz HQNQYXVPNBRAAI-CYBMUJFWSA-N 0 1 315.377 1.102 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)CCCOC)CCO2)n[nH]1 ZINC000182055718 408068228 /nfs/dbraw/zinc/06/82/28/408068228.db2.gz RFWCEOGBUZLITG-NWDGAFQWSA-N 0 1 310.398 1.330 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)cc2O)C1 ZINC000263379419 408125024 /nfs/dbraw/zinc/12/50/24/408125024.db2.gz BGTQIBCOBHMGCI-UHFFFAOYSA-N 0 1 322.361 1.068 10 0 DDAEMN CC1CCN(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263510458 408162333 /nfs/dbraw/zinc/16/23/33/408162333.db2.gz XMZYWESRYBBBNR-UHFFFAOYSA-N 0 1 323.437 1.756 10 0 DDAEMN CCC[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(=O)[O-] ZINC000263572214 408177805 /nfs/dbraw/zinc/17/78/05/408177805.db2.gz KPZJBKGJXTYEBN-HUUCEWRRSA-N 0 1 321.421 1.248 10 0 DDAEMN CCc1nc([C@H]2CN(c3ncnc4ccccc43)CCO2)n[nH]1 ZINC000268821706 408208347 /nfs/dbraw/zinc/20/83/47/408208347.db2.gz PNYZNCIPDYXAIL-CYBMUJFWSA-N 0 1 310.361 1.888 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000190341336 408222761 /nfs/dbraw/zinc/22/27/61/408222761.db2.gz AHVHYTNGJGMYSN-LSDHHAIUSA-N 0 1 319.380 1.849 10 0 DDAEMN CCCN(C[C@@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246346204 408227342 /nfs/dbraw/zinc/22/73/42/408227342.db2.gz WEDLEUAUBRSIDO-QWHCGFSZSA-N 0 1 307.456 1.062 10 0 DDAEMN Cc1nc(C)c(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000246373572 408233124 /nfs/dbraw/zinc/23/31/24/408233124.db2.gz AIOKVVJJVDZABP-BXKDBHETSA-N 0 1 317.480 1.767 10 0 DDAEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000246738827 408330189 /nfs/dbraw/zinc/33/01/89/408330189.db2.gz GPDDPEYTIDATAW-CRAIPNDOSA-N 0 1 306.450 1.918 10 0 DDAEMN CCOCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190604054 408288859 /nfs/dbraw/zinc/28/88/59/408288859.db2.gz PGDBYYZVLSVFCI-MRXNPFEDSA-N 0 1 305.422 1.789 10 0 DDAEMN CCOCCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190690420 408304077 /nfs/dbraw/zinc/30/40/77/408304077.db2.gz NHDFUENKOTZQPF-MRXNPFEDSA-N 0 1 320.437 1.581 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000246757227 408334339 /nfs/dbraw/zinc/33/43/39/408334339.db2.gz HOBOSRRERMDGLO-BBRMVZONSA-N 0 1 308.397 1.672 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[nH]c2ccccc2c1=O ZINC000176293032 408334806 /nfs/dbraw/zinc/33/48/06/408334806.db2.gz QFCOBJZKMLERQG-AWEZNQCLSA-N 0 1 323.356 1.693 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCc3ccc(C)cc3)CCO2)n[nH]1 ZINC000173532532 162345749 /nfs/dbraw/zinc/34/57/49/162345749.db2.gz WUTLASWYBGZFSP-OAHLLOKOSA-N 0 1 314.389 1.954 10 0 DDAEMN Cc1nc([C@@H]2CN(CCCCCn3cccn3)CCO2)n[nH]1 ZINC000173674053 162356161 /nfs/dbraw/zinc/35/61/61/162356161.db2.gz GUSMJDJJYSOVJK-AWEZNQCLSA-N 0 1 304.398 1.553 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3cccnc3C)C2=O)n(C)n1 ZINC000173855162 162369823 /nfs/dbraw/zinc/36/98/23/162369823.db2.gz KAJNXKBKGFSGJG-OAHLLOKOSA-N 0 1 313.405 1.717 10 0 DDAEMN CCOCCN1CCN(C(=O)CCc2ccncn2)C[C@@H]1CC ZINC000191251646 408394033 /nfs/dbraw/zinc/39/40/33/408394033.db2.gz SVDUJPXUHAHLLP-INIZCTEOSA-N 0 1 320.437 1.369 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247095241 408405239 /nfs/dbraw/zinc/40/52/39/408405239.db2.gz HWSUKWYOTOVNFC-OWCLPIDISA-N 0 1 311.470 1.164 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)NCC(C)C)C[C@H]1CC ZINC000247150474 408419085 /nfs/dbraw/zinc/41/90/85/408419085.db2.gz LMXJGLZHVNZSNL-HZPDHXFCSA-N 0 1 313.486 1.580 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C ZINC000247243060 408437042 /nfs/dbraw/zinc/43/70/42/408437042.db2.gz SMPRKRXQBBVPQQ-CABCVRRESA-N 0 1 323.481 1.307 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000247455076 408472242 /nfs/dbraw/zinc/47/22/42/408472242.db2.gz HUNFBSACGALJCD-LSDHHAIUSA-N 0 1 302.378 1.528 10 0 DDAEMN C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000177388743 408596654 /nfs/dbraw/zinc/59/66/54/408596654.db2.gz IXAWIJQJTGXUNK-HYVNUMGLSA-N 0 1 320.433 1.470 10 0 DDAEMN CCOCCN1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C[C@@H]1C ZINC000192575365 408614719 /nfs/dbraw/zinc/61/47/19/408614719.db2.gz BYONLTAUQLUXTD-KBPBESRZSA-N 0 1 308.426 1.594 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@H]1CC ZINC000253273176 408811188 /nfs/dbraw/zinc/81/11/88/408811188.db2.gz DGYXDQGLHYTHCT-ARFHVFGLSA-N 0 1 312.454 1.761 10 0 DDAEMN C[S@@](=O)Cc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000249829980 408767530 /nfs/dbraw/zinc/76/75/30/408767530.db2.gz NELKYNRXHJYQDB-YCRPNKLZSA-N 0 1 306.431 1.485 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2OC)C1 ZINC000194148524 408769280 /nfs/dbraw/zinc/76/92/80/408769280.db2.gz SWOJCTDRSJZJAF-LBPRGKRZSA-N 0 1 305.378 1.234 10 0 DDAEMN CO[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000276482076 408867743 /nfs/dbraw/zinc/86/77/43/408867743.db2.gz SBYLWSJLWVSBLS-NVXWUHKLSA-N 0 1 304.390 1.183 10 0 DDAEMN C=Cn1cc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cn1 ZINC000194347968 163280136 /nfs/dbraw/zinc/28/01/36/163280136.db2.gz DOOBXJZROUHJKK-CQSZACIVSA-N 0 1 314.393 1.311 10 0 DDAEMN Cc1noc(CCNCc2c(Br)c(C)nn2C)n1 ZINC000228729339 163342936 /nfs/dbraw/zinc/34/29/36/163342936.db2.gz ZLARGPGOHVOVAT-UHFFFAOYSA-N 0 1 314.187 1.515 10 0 DDAEMN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](N)COC ZINC000262323995 163806412 /nfs/dbraw/zinc/80/64/12/163806412.db2.gz QSTUPUKDBPXMCS-ZDUSSCGKSA-N 0 1 318.776 1.428 10 0 DDAEMN CC(C)Cc1noc(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)n1 ZINC000262478443 163835216 /nfs/dbraw/zinc/83/52/16/163835216.db2.gz KGGZTVWMCVZUSV-CYBMUJFWSA-N 0 1 324.425 1.639 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000262585200 163853879 /nfs/dbraw/zinc/85/38/79/163853879.db2.gz VHVBMQZFVNGBSO-STQMWFEESA-N 0 1 308.378 1.465 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1cccc(Cl)c1 ZINC000313371892 409807394 /nfs/dbraw/zinc/80/73/94/409807394.db2.gz PYHUCHNMUWACSX-MFKMUULPSA-N 0 1 318.826 1.309 10 0 DDAEMN CCc1nc([C@H]2CN(c3nc(C)nc(C)c3C)CCO2)n[nH]1 ZINC000301712658 410780135 /nfs/dbraw/zinc/78/01/35/410780135.db2.gz LGHYLHCRDVEVKF-GFCCVEGCSA-N 0 1 302.382 1.660 10 0 DDAEMN C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404557784 418771636 /nfs/dbraw/zinc/77/16/36/418771636.db2.gz UTZTYXABBCKTBI-BPUTZDHNSA-N 0 1 304.390 1.181 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851986 423158231 /nfs/dbraw/zinc/15/82/31/423158231.db2.gz SCQGKQCZQOCEIS-DLBZAZTESA-N 0 1 319.449 1.521 10 0 DDAEMN CCCC[C@@H](NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630571091 422186888 /nfs/dbraw/zinc/18/68/88/422186888.db2.gz JGECJRGMUPYGLF-HUUCEWRRSA-N 0 1 321.421 1.205 10 0 DDAEMN CCCC[C@@H](NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630571091 422186894 /nfs/dbraw/zinc/18/68/94/422186894.db2.gz JGECJRGMUPYGLF-HUUCEWRRSA-N 0 1 321.421 1.205 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(Cc2noc3c2CCCC3)C1 ZINC000583617972 422200266 /nfs/dbraw/zinc/20/02/66/422200266.db2.gz PJGGBHAJEHQBEX-OAHLLOKOSA-N 0 1 303.366 1.155 10 0 DDAEMN Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)[nH]n1 ZINC000583619616 422204715 /nfs/dbraw/zinc/20/47/15/422204715.db2.gz JVKQILVSOPRZCS-SWLSCSKDSA-N 0 1 316.409 1.265 10 0 DDAEMN CCC1(CC)CN(CN2CCN(CCOC)[C@H](C)C2)C(=O)O1 ZINC000180245880 263363507 /nfs/dbraw/zinc/36/35/07/263363507.db2.gz CRIQBAIBCICGLL-CQSZACIVSA-N 0 1 313.442 1.607 10 0 DDAEMN C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178497366 274375954 /nfs/dbraw/zinc/37/59/54/274375954.db2.gz RYEHCVAEPJKGOP-SNVBAGLBSA-N 0 1 305.403 1.555 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000174095240 276597437 /nfs/dbraw/zinc/59/74/37/276597437.db2.gz NFGCIAZXJSZFTR-BBRMVZONSA-N 0 1 314.376 1.387 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)n[nH]1 ZINC000180115125 279058390 /nfs/dbraw/zinc/05/83/90/279058390.db2.gz VJSHQSKRCXBTLD-GFCCVEGCSA-N 0 1 304.398 1.707 10 0 DDAEMN CCCCN(C[C@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000246830981 282017803 /nfs/dbraw/zinc/01/78/03/282017803.db2.gz OCQBMNDSEGYZQD-KBPBESRZSA-N 0 1 321.483 1.452 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCN2CCCC[C@@H]2C1 ZINC000111563178 696644672 /nfs/dbraw/zinc/64/46/72/696644672.db2.gz NUDNOPKQFGOCKL-GFCCVEGCSA-N 0 1 312.373 1.233 10 0 DDAEMN COc1ccc([C@H](C)NC[C@@H]2CCCS2(=O)=O)cc1OC ZINC000126902840 696766546 /nfs/dbraw/zinc/76/65/46/696766546.db2.gz AQFXKWNGGDEUPO-AAEUAGOBSA-N 0 1 313.419 1.932 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3cccnc3Cl)CCO2)n[nH]1 ZINC000175997227 697399814 /nfs/dbraw/zinc/39/98/14/697399814.db2.gz BKTWJBQFUTYBKB-JTQLQIEISA-N 0 1 322.756 1.767 10 0 DDAEMN O=C(Cc1[nH]nc2c1CCCC2)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000188438777 697559863 /nfs/dbraw/zinc/55/98/63/697559863.db2.gz RBDHFMNFXQARRQ-CQSZACIVSA-N 0 1 314.393 1.703 10 0 DDAEMN COc1c(CNC[C@H](C)NC(=O)OC(C)(C)C)c(C)nn1C ZINC000192689531 697636821 /nfs/dbraw/zinc/63/68/21/697636821.db2.gz NRCOCFJPGQPPDH-JTQLQIEISA-N 0 1 312.414 1.740 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@@H]2CCCOC2)C[C@H]1CC ZINC000193285713 697658022 /nfs/dbraw/zinc/65/80/22/697658022.db2.gz MFFPCLJLMVCNBH-JKSUJKDBSA-N 0 1 312.454 1.762 10 0 DDAEMN CCCN1CCN(c2nc(C)nc3c2NC(=O)[C@@H](C)N3)CC1 ZINC000224024077 697764195 /nfs/dbraw/zinc/76/41/95/697764195.db2.gz METXBYIEOZSYPF-SNVBAGLBSA-N 0 1 304.398 1.070 10 0 DDAEMN O=S(=O)(c1ccc(NC[C@H]2COCCN2)cc1)C(F)F ZINC000236145679 697795060 /nfs/dbraw/zinc/79/50/60/697795060.db2.gz LLWKFUQZVOEXKM-JTQLQIEISA-N 0 1 306.334 1.083 10 0 DDAEMN CCCCOC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000246929497 698357302 /nfs/dbraw/zinc/35/73/02/698357302.db2.gz QIULIEMHAQWZBV-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN C[C@@H]1CN(C(=O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)CCO1 ZINC000249563490 698394504 /nfs/dbraw/zinc/39/45/04/698394504.db2.gz MJLXLDYJKYGHNG-SNPRPXQTSA-N 0 1 324.446 1.003 10 0 DDAEMN Cc1nc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]c1C ZINC000709006913 699251292 /nfs/dbraw/zinc/25/12/92/699251292.db2.gz XEBOHJHZSQZPGY-STQMWFEESA-N 0 1 324.425 1.344 10 0 DDAEMN COc1ncc(Cl)c(N2CCc3sc(CN)nc3C2)n1 ZINC000710138210 699253605 /nfs/dbraw/zinc/25/36/05/699253605.db2.gz KXGNKYQGVRMQFT-UHFFFAOYSA-N 0 1 311.798 1.617 10 0 DDAEMN CN1C[C@@H](O)C[C@]1(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000900086496 709284658 /nfs/dbraw/zinc/28/46/58/709284658.db2.gz PVAPDFKMSJMZKM-TWHWIZHFSA-N 0 1 308.344 1.679 10 0 DDAEMN C[C@H](O)[C@H](O)CN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000930277428 713791706 /nfs/dbraw/zinc/79/17/06/713791706.db2.gz XNPDDESEYWWLOD-TXFQPVFDSA-N 0 1 319.323 1.555 10 0 DDAEMN CC[C@H]1CN([C@H]2CCCN(C(C)C)C2=O)CCN1CCOC ZINC000248327776 282078628 /nfs/dbraw/zinc/07/86/28/282078628.db2.gz COSZJNXRIPZBBP-HOTGVXAUSA-N 0 1 311.470 1.428 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCOC(C)C)CCN1C[C@H](C)O ZINC000248451707 282084329 /nfs/dbraw/zinc/08/43/29/282084329.db2.gz JWFOKFITMIEQIX-LSDHHAIUSA-N 0 1 315.458 1.288 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(O)cc2O)CCN1C[C@H](C)O ZINC000248410681 282081307 /nfs/dbraw/zinc/08/13/07/282081307.db2.gz HGCBBUSOSPBHDO-RYUDHWBXSA-N 0 1 308.378 1.015 10 0 DDAEMN COc1ccc(OC)c([C@@H]([NH3+])CSc2nccc(=O)[n-]2)c1 ZINC000081774396 192323399 /nfs/dbraw/zinc/32/33/99/192323399.db2.gz DWLWRNZNPBMPLU-NSHDSACASA-N 0 1 307.375 1.992 10 0 DDAEMN CC[C@H](C)S(=O)(=O)C[C@H](N)c1ccc(OC)c(OC)c1 ZINC000081938106 192343106 /nfs/dbraw/zinc/34/31/06/192343106.db2.gz WEFVAFIAAPFGTR-JQWIXIFHSA-N 0 1 301.408 1.917 10 0 DDAEMN N[C@@]1(C(=O)NCc2sccc2Br)CCOC1 ZINC000087575793 185228550 /nfs/dbraw/zinc/22/85/50/185228550.db2.gz XLQRATUEHBWEOR-JTQLQIEISA-N 0 1 305.197 1.245 10 0 DDAEMN OCC(CO)N[C@H]1CCOc2ccc(Br)cc21 ZINC000087749455 185231554 /nfs/dbraw/zinc/23/15/54/185231554.db2.gz MFOZCXVOYKTMAH-NSHDSACASA-N 0 1 302.168 1.216 10 0 DDAEMN CC[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087898247 185235948 /nfs/dbraw/zinc/23/59/48/185235948.db2.gz WULHNBBIFVAZDK-SECBINFHSA-N 0 1 314.411 1.195 10 0 DDAEMN C[NH+]1CCN([C@H](C(=O)[O-])c2ccccc2OC(F)F)CC1 ZINC000088045274 185238130 /nfs/dbraw/zinc/23/81/30/185238130.db2.gz DIAAPBJJXHZOFM-LBPRGKRZSA-N 0 1 300.305 1.661 10 0 DDAEMN COc1cc(C)c(Br)cc1[C@@H](N)COCC(N)=O ZINC000088078789 185238801 /nfs/dbraw/zinc/23/88/01/185238801.db2.gz LWUDFGVRLYIGDH-JTQLQIEISA-N 0 1 317.183 1.268 10 0 DDAEMN CC[C@@H](C(N)=S)S(=O)(=O)Nc1ccsc1C(=O)OC ZINC000088487594 185253367 /nfs/dbraw/zinc/25/33/67/185253367.db2.gz HOOARZSEPPCGPL-ZETCQYMHSA-N 0 1 322.433 1.341 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1ncnc2sc(C)cc21 ZINC000088673161 185262206 /nfs/dbraw/zinc/26/22/06/185262206.db2.gz GIFSOJZEYHRQIE-NSHDSACASA-N 0 1 306.391 1.341 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1 ZINC000088673171 185262251 /nfs/dbraw/zinc/26/22/51/185262251.db2.gz JEGFBNSADVMUFF-JTQLQIEISA-N 0 1 303.284 1.442 10 0 DDAEMN C[C@@H](CCc1ccc2c(c1)OCO2)N[C@@H]1C=CS(=O)(=O)C1 ZINC000088853415 185266979 /nfs/dbraw/zinc/26/69/79/185266979.db2.gz BWVHTSXIRDGPHZ-WCQYABFASA-N 0 1 309.387 1.637 10 0 DDAEMN COc1cc([C@H]2NC[C@@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341144 185292237 /nfs/dbraw/zinc/29/22/37/185292237.db2.gz QAGMVVVKBSOYRJ-UHLUBPPHSA-N 0 1 316.810 1.936 10 0 DDAEMN CC[N@H+]1CCN(C(=O)N(CC(=O)[O-])CC(F)(F)F)C[C@@H]1C ZINC000092446131 185318999 /nfs/dbraw/zinc/31/89/99/185318999.db2.gz CLVOSWLAWPPQSV-VIFPVBQESA-N 0 1 311.304 1.081 10 0 DDAEMN C[N@H+]1CC[C@@H](Cn2c3ccncc3nc2SCC(=O)[O-])C1 ZINC000092514864 185323690 /nfs/dbraw/zinc/32/36/90/185323690.db2.gz MEYXOUGRLKMUIL-SNVBAGLBSA-N 0 1 306.391 1.560 10 0 DDAEMN CCn1c(CN)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000071374614 190963508 /nfs/dbraw/zinc/96/35/08/190963508.db2.gz UIWZHOYVZPUZJJ-UHFFFAOYSA-N 0 1 305.407 1.796 10 0 DDAEMN CCOCCN1CCN(c2nccn(CC)c2=O)C[C@@H]1CC ZINC000179721224 186210228 /nfs/dbraw/zinc/21/02/28/186210228.db2.gz PXFPJGLZFUILAN-AWEZNQCLSA-N 0 1 308.426 1.200 10 0 DDAEMN CC(C)NC(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561441 197942250 /nfs/dbraw/zinc/94/22/50/197942250.db2.gz HXTLNBMRCKAJLO-KRWDZBQOSA-N 0 1 319.449 1.252 10 0 DDAEMN CC(C)c1nc([C@@H]2CCCN2c2nc3[nH]ncc3c(=O)[nH]2)no1 ZINC000277167189 213339472 /nfs/dbraw/zinc/33/94/72/213339472.db2.gz FLCGLCSZRFRTSV-VIFPVBQESA-N 0 1 315.337 1.906 10 0 DDAEMN CCOC(=O)c1nc(Br)ccc1NS(C)(=O)=O ZINC000145831074 354157553 /nfs/dbraw/zinc/15/75/53/354157553.db2.gz NJPHIIJYAILTTH-UHFFFAOYSA-N 0 1 323.168 1.392 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)n[nH]1 ZINC000328637939 354556227 /nfs/dbraw/zinc/55/62/27/354556227.db2.gz WDBPLYXBZVQBOF-AWEZNQCLSA-N 0 1 316.409 1.225 10 0 DDAEMN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000328617627 354547706 /nfs/dbraw/zinc/54/77/06/354547706.db2.gz CYBUOMQXQSZWHC-JSGCOSHPSA-N 0 1 315.377 1.282 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693814 192314349 /nfs/dbraw/zinc/31/43/49/192314349.db2.gz QLKWDTFJBHDQRL-UHFFFAOYSA-N 0 1 320.846 1.280 10 0 DDAEMN CC[C@@H](C)CNS(=O)(=O)c1c(C)n[nH]c1CNC(C)C ZINC000089025734 192705338 /nfs/dbraw/zinc/70/53/38/192705338.db2.gz AVODOBIKTMVFOB-SNVBAGLBSA-N 0 1 302.444 1.541 10 0 DDAEMN Cc1cccc(NC(=O)CSCC(=O)N2CCN[C@H](C)C2)c1 ZINC000189019658 200336460 /nfs/dbraw/zinc/33/64/60/200336460.db2.gz KTNPUHLYYDJUAY-CYBMUJFWSA-N 0 1 321.446 1.487 10 0 DDAEMN CCCCOC[C@H](O)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000195176807 201353577 /nfs/dbraw/zinc/35/35/77/201353577.db2.gz OUYRZDGQYHVHBB-GDBMZVCRSA-N 0 1 324.421 1.538 10 0 DDAEMN CN1CCO[C@@H](c2nc(C3CC3)c(Br)c(=O)[nH]2)C1 ZINC000091687453 193091767 /nfs/dbraw/zinc/09/17/67/193091767.db2.gz YZGZMDMQFYBUIH-MRVPVSSYSA-N 0 1 314.183 1.413 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971361 193134041 /nfs/dbraw/zinc/13/40/41/193134041.db2.gz UWQAPCRYBRCDMJ-ZDUSSCGKSA-N 0 1 312.483 1.665 10 0 DDAEMN CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776225 193304516 /nfs/dbraw/zinc/30/45/16/193304516.db2.gz AFVQCFVKAVJYAQ-HZMBPMFUSA-N 0 1 310.423 1.027 10 0 DDAEMN C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000094345142 193362545 /nfs/dbraw/zinc/36/25/45/193362545.db2.gz MRFUPJUJZOMPES-GZMMTYOYSA-N 0 1 313.195 1.883 10 0 DDAEMN CCN1CCN([C@H](C)C(=O)Nc2ccc(N)cc2Cl)CC1 ZINC000021518713 182277769 /nfs/dbraw/zinc/27/77/69/182277769.db2.gz LSOLKWSPVRZLJU-LLVKDONJSA-N 0 1 310.829 1.887 10 0 DDAEMN NNc1ncc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC000041071338 183162986 /nfs/dbraw/zinc/16/29/86/183162986.db2.gz SMZDZVWVLKTHRR-JQWIXIFHSA-N 0 1 311.411 1.106 10 0 DDAEMN C[C@H]1CN(S(=O)(=O)c2ccc(CN)s2)CC(C)(C)O1 ZINC000041681910 183216911 /nfs/dbraw/zinc/21/69/11/183216911.db2.gz AZNCHHMQCNPLBI-VIFPVBQESA-N 0 1 304.437 1.395 10 0 DDAEMN Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000043585190 183373944 /nfs/dbraw/zinc/37/39/44/183373944.db2.gz ODTDGCAHZGYLNL-NSHDSACASA-N 0 1 311.407 1.967 10 0 DDAEMN Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000043585190 183373946 /nfs/dbraw/zinc/37/39/46/183373946.db2.gz ODTDGCAHZGYLNL-NSHDSACASA-N 0 1 311.407 1.967 10 0 DDAEMN CCCCc1noc([C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000105823812 194137313 /nfs/dbraw/zinc/13/73/13/194137313.db2.gz PDTRDJNEFLFPCT-MCIONIFRSA-N 0 1 310.442 1.860 10 0 DDAEMN CC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1C[C@@H](C)O ZINC000105824965 194137525 /nfs/dbraw/zinc/13/75/25/194137525.db2.gz ZXTLFBGEYOSJEA-OLZOCXBDSA-N 0 1 310.394 1.343 10 0 DDAEMN CN(Cc1cn2cccnc2n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803426 194132281 /nfs/dbraw/zinc/13/22/81/194132281.db2.gz VDKFKEGAQFLIOC-HNNXBMFYSA-N 0 1 323.404 1.620 10 0 DDAEMN CCCCc1noc(CN2CCN(CCOC)[C@H](CC)C2)n1 ZINC000105836785 194141248 /nfs/dbraw/zinc/14/12/48/194141248.db2.gz WSWRLEKINRAFBM-CQSZACIVSA-N 0 1 310.442 1.955 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C(N)=O)c1ccccc1)CC2 ZINC000105874051 194153312 /nfs/dbraw/zinc/15/33/12/194153312.db2.gz RPTPKNDQNARLQZ-ZFWWWQNUSA-N 0 1 313.405 1.533 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000109461308 194265468 /nfs/dbraw/zinc/26/54/68/194265468.db2.gz NSYGXWIAAXMNLA-CYBMUJFWSA-N 0 1 307.419 1.215 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)Cc2ccsc2)CC1 ZINC000109465959 194267234 /nfs/dbraw/zinc/26/72/34/194267234.db2.gz DZMWDCNDZXJFDM-UHFFFAOYSA-N 0 1 311.476 1.500 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1N ZINC000061642536 184180554 /nfs/dbraw/zinc/18/05/54/184180554.db2.gz GXTXSDXKZCXZBY-LLVKDONJSA-N 0 1 301.387 1.123 10 0 DDAEMN O=C([O-])[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000062133810 184208204 /nfs/dbraw/zinc/20/82/04/184208204.db2.gz XZISVMRTSVCNQZ-ZETCQYMHSA-N 0 1 302.252 1.449 10 0 DDAEMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000062133810 184208206 /nfs/dbraw/zinc/20/82/06/184208206.db2.gz XZISVMRTSVCNQZ-ZETCQYMHSA-N 0 1 302.252 1.449 10 0 DDAEMN CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@@H+](C)C(C)C ZINC000062744517 184252150 /nfs/dbraw/zinc/25/21/50/184252150.db2.gz GBIPSJAOQHHJRT-UHFFFAOYSA-N 0 1 301.431 1.859 10 0 DDAEMN COCCNCC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000066224591 184397811 /nfs/dbraw/zinc/39/78/11/184397811.db2.gz CTAHCSCPTCGMIQ-UHFFFAOYSA-N 0 1 307.394 1.846 10 0 DDAEMN O=C(N[C@H]1CCCn2ncnc21)c1cccc(-c2nnc[nH]2)c1 ZINC000155472619 197058779 /nfs/dbraw/zinc/05/87/79/197058779.db2.gz CKFFUIRLOKRJIO-LBPRGKRZSA-N 0 1 309.333 1.328 10 0 DDAEMN Cn1cc(CN2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)cn1 ZINC000248149848 257108532 /nfs/dbraw/zinc/10/85/32/257108532.db2.gz SXHBIEMBTQEJMR-PMPSAXMXSA-N 0 1 318.421 1.022 10 0 DDAEMN COCCN1CC[C@@H]2C[C@@H](C(=O)NCc3ccco3)O[C@H]2C1 ZINC000247824601 257117420 /nfs/dbraw/zinc/11/74/20/257117420.db2.gz FIHFMEVTAVZWCH-SNPRPXQTSA-N 0 1 308.378 1.022 10 0 DDAEMN c1coc(CN2C[C@@H]3OCCN(c4ncccn4)C[C@@H]3C2)c1 ZINC000253595818 257105811 /nfs/dbraw/zinc/10/58/11/257105811.db2.gz JGSDEJITRXRDFL-ZFWWWQNUSA-N 0 1 300.362 1.407 10 0 DDAEMN Fc1ccccc1C[N@H+]1C[C@H]2COC[C@]2(CN2CCOCC2)C1 ZINC000503717018 257209723 /nfs/dbraw/zinc/20/97/23/257209723.db2.gz KYAIRFUMXXTPMY-WMZOPIPTSA-N 0 1 320.408 1.606 10 0 DDAEMN c1ccc2oc(N3CCN(CCC4OCCO4)CC3)nc2c1 ZINC000124170430 195611922 /nfs/dbraw/zinc/61/19/22/195611922.db2.gz QARXHFHVAYRMKY-UHFFFAOYSA-N 0 1 303.362 1.713 10 0 DDAEMN C[C@H]1O[C@@H](n2cc(F)c(=S)[nH]c2=O)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000044019767 407020669 /nfs/dbraw/zinc/02/06/69/407020669.db2.gz AARWAZRSHDSNLU-AMCGLFBUSA-N 0 1 302.327 1.895 10 0 DDAEMN Cc1cc(C)c([C@@H]2NCCc3nc[nH]c32)cc1Cn1cncn1 ZINC000067948052 407291978 /nfs/dbraw/zinc/29/19/78/407291978.db2.gz SKLGGRGBKQVYRD-INIZCTEOSA-N 0 1 308.389 1.901 10 0 DDAEMN CC1CCC(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000105882725 407356649 /nfs/dbraw/zinc/35/66/49/407356649.db2.gz UJGOXJZSEMHZPM-PCKAHOCUSA-N 0 1 319.453 1.685 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000125723441 407396651 /nfs/dbraw/zinc/39/66/51/407396651.db2.gz PITGYZFWLAMSQV-GFCCVEGCSA-N 0 1 304.394 1.703 10 0 DDAEMN COC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240856 407439878 /nfs/dbraw/zinc/43/98/78/407439878.db2.gz YOWFAYDVCCFKET-JTQLQIEISA-N 0 1 300.318 1.335 10 0 DDAEMN COC(=O)c1ccc(NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240856 407439881 /nfs/dbraw/zinc/43/98/81/407439881.db2.gz YOWFAYDVCCFKET-JTQLQIEISA-N 0 1 300.318 1.335 10 0 DDAEMN COCCc1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)n(C)n1 ZINC000128304139 407519320 /nfs/dbraw/zinc/51/93/20/407519320.db2.gz GKWJNWUQUVGDDH-CQSZACIVSA-N 0 1 321.425 1.311 10 0 DDAEMN CCNc1ncc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000129367851 407605427 /nfs/dbraw/zinc/60/54/27/407605427.db2.gz BVWFIYXIRAYQOB-SECBINFHSA-N 0 1 322.394 1.215 10 0 DDAEMN Cn1cc([C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)cn1 ZINC000152943892 407718675 /nfs/dbraw/zinc/71/86/75/407718675.db2.gz NGRLKAGKLRKFCI-CQSZACIVSA-N 0 1 322.372 1.835 10 0 DDAEMN Cn1cc([C@H]2CCN(Cc3cc(=O)n4ccsc4n3)C2)cn1 ZINC000116324057 407745886 /nfs/dbraw/zinc/74/58/86/407745886.db2.gz VLRJBGIDUJQJNZ-NSHDSACASA-N 0 1 315.402 1.479 10 0 DDAEMN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000153076048 407748018 /nfs/dbraw/zinc/74/80/18/407748018.db2.gz FFNBXXVTQURBNA-AWEZNQCLSA-N 0 1 319.449 1.884 10 0 DDAEMN CCOCCN1CCN(C(=O)Nc2cnn(CC)c2)C[C@H]1CC ZINC000116927937 407797427 /nfs/dbraw/zinc/79/74/27/407797427.db2.gz KDKBQBXPWUSNKJ-OAHLLOKOSA-N 0 1 323.441 1.868 10 0 DDAEMN CSc1ccccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000187147259 407824915 /nfs/dbraw/zinc/82/49/15/407824915.db2.gz WHQLMCJVJDFQPF-LLVKDONJSA-N 0 1 300.449 1.733 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2c(C)noc2C)CCN1CCOC ZINC000117304076 407825697 /nfs/dbraw/zinc/82/56/97/407825697.db2.gz ISVNCUNEVSDLEB-HNNXBMFYSA-N 0 1 323.437 1.793 10 0 DDAEMN CC(=O)Nc1ccccc1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000180117382 407855788 /nfs/dbraw/zinc/85/57/88/407855788.db2.gz XWFONBKDSQWXKS-HNNXBMFYSA-N 0 1 315.377 1.645 10 0 DDAEMN CSC[C@H](C)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262684066 407900271 /nfs/dbraw/zinc/90/02/71/407900271.db2.gz BOJRCTXYSRHCEI-PKSQDBQZSA-N 0 1 314.451 1.429 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000262687325 407902282 /nfs/dbraw/zinc/90/22/82/407902282.db2.gz CXXIBBNVFQARIA-HSBZDZAISA-N 0 1 320.389 1.508 10 0 DDAEMN CCCC[C@H](CC)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262833242 407950578 /nfs/dbraw/zinc/95/05/78/407950578.db2.gz IAWAUHXPCMTFSV-KBPBESRZSA-N 0 1 314.426 1.447 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccc(O)c2)C1 ZINC000262993322 407996158 /nfs/dbraw/zinc/99/61/58/407996158.db2.gz MCADROLQSRCGHV-UHFFFAOYSA-N 0 1 321.377 1.129 10 0 DDAEMN CC[C@@H]1CN(Cc2nc([C@H](C)OC)no2)CCN1C[C@H](C)O ZINC000245473449 407997473 /nfs/dbraw/zinc/99/74/73/407997473.db2.gz PZVUARVWPLVTQB-RWMBFGLXSA-N 0 1 312.414 1.054 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCN1C[C@@H](C)O ZINC000181970565 408058143 /nfs/dbraw/zinc/05/81/43/408058143.db2.gz AXNSFVCNAJDXSX-MCIONIFRSA-N 0 1 315.483 1.369 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)c2c[nH]c3cc(F)ccc32)C[C@H]1C ZINC000246080269 408135741 /nfs/dbraw/zinc/13/57/41/408135741.db2.gz GYFZKWKEXYKPFD-NEPJUHHUSA-N 0 1 319.380 1.834 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)C1 ZINC000263446184 408141017 /nfs/dbraw/zinc/14/10/17/408141017.db2.gz FXVJBXBTQWWFOU-PIMMBPRGSA-N 0 1 323.437 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(F)cc2)C1 ZINC000263455433 408143985 /nfs/dbraw/zinc/14/39/85/408143985.db2.gz BYLFBHYGPYJAGJ-UHFFFAOYSA-N 0 1 309.341 1.885 10 0 DDAEMN C[C@@H]1CN(CCCNC(=O)N2CCS[C@@H](C)C2)C[C@@H](C)O1 ZINC000246154526 408156668 /nfs/dbraw/zinc/15/66/68/408156668.db2.gz QEGUSASAOQUKOF-MCIONIFRSA-N 0 1 315.483 1.633 10 0 DDAEMN COc1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1C ZINC000263503948 408158593 /nfs/dbraw/zinc/15/85/93/408158593.db2.gz LKNMORBWMUOKAD-HNNXBMFYSA-N 0 1 322.405 1.221 10 0 DDAEMN C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246432425 408255614 /nfs/dbraw/zinc/25/56/14/408255614.db2.gz AZRNIWXOZIYRCH-GDBMZVCRSA-N 0 1 303.406 1.936 10 0 DDAEMN C[C@@H]1CC[C@H](C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)O1 ZINC000155726262 408199005 /nfs/dbraw/zinc/19/90/05/408199005.db2.gz PBWVNLAUROSTAL-QMTHXVAHSA-N 0 1 305.378 1.353 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCO[C@H]1CCOC1 ZINC000150789439 408203250 /nfs/dbraw/zinc/20/32/50/408203250.db2.gz ZNUSIOOSROGPCT-DLBZAZTESA-N 0 1 320.433 1.471 10 0 DDAEMN Cn1cc(N2CCC[C@H](N[C@@H](CO)c3ccccc3)C2=O)cn1 ZINC000182931508 408286515 /nfs/dbraw/zinc/28/65/15/408286515.db2.gz BNDVJPLEKUFKHR-HOTGVXAUSA-N 0 1 314.389 1.239 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(c2nncn2CC)CC1 ZINC000171644358 162232783 /nfs/dbraw/zinc/23/27/83/162232783.db2.gz DIZZJEJQRKQPGH-OLZOCXBDSA-N 0 1 307.442 1.781 10 0 DDAEMN Cc1cc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)o1 ZINC000183254124 408366169 /nfs/dbraw/zinc/36/61/69/408366169.db2.gz NVCJDPCTRCZEOW-GXFFZTMASA-N 0 1 300.424 1.903 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)N3CCCCCC3)CCO2)n[nH]1 ZINC000173352439 162333980 /nfs/dbraw/zinc/33/39/80/162333980.db2.gz MTHGIBHDYTYGDT-GXTWGEPZSA-N 0 1 321.425 1.278 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc4ccccn4c3)CCO2)n[nH]1 ZINC000173405861 162337412 /nfs/dbraw/zinc/33/74/12/162337412.db2.gz IZHOFTFMJWOMNY-CQSZACIVSA-N 0 1 311.345 1.580 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n[nH]1 ZINC000173534922 162347075 /nfs/dbraw/zinc/34/70/75/162347075.db2.gz MJECACFTDSPCEG-NSHDSACASA-N 0 1 318.381 1.347 10 0 DDAEMN CCOc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173532636 162347286 /nfs/dbraw/zinc/34/72/86/162347286.db2.gz DBGJCHJDNYNBIS-CQSZACIVSA-N 0 1 316.361 1.726 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H](C)OCCC(C)C)CCO2)n[nH]1 ZINC000173576662 162349066 /nfs/dbraw/zinc/34/90/66/162349066.db2.gz PODFOUBOJSIGRB-STQMWFEESA-N 0 1 324.425 1.718 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C)n2C2CC2)C[C@H]1C ZINC000247031481 408392187 /nfs/dbraw/zinc/39/21/87/408392187.db2.gz DETOAJXLBWCGJH-CYBMUJFWSA-N 0 1 307.442 1.464 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247095222 408405518 /nfs/dbraw/zinc/40/55/18/408405518.db2.gz HWSUKWYOTOVNFC-HRCADAONSA-N 0 1 311.470 1.164 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NC2CCCC2)CCN1CCOC ZINC000247105505 408408749 /nfs/dbraw/zinc/40/87/49/408408749.db2.gz IPOHTWKGCFIJET-GDBMZVCRSA-N 0 1 311.470 1.476 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000247194913 408426189 /nfs/dbraw/zinc/42/61/89/408426189.db2.gz TXNLYKIOGFLOPW-GJZGRUSLSA-N 0 1 317.437 1.436 10 0 DDAEMN Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000247992274 408525342 /nfs/dbraw/zinc/52/53/42/408525342.db2.gz LOXQFNPBNCZISQ-LSDHHAIUSA-N 0 1 306.406 1.287 10 0 DDAEMN Cn1ccc(N2CCC[C@@H](N[C@@H](CO)c3ccccc3)C2=O)n1 ZINC000183668383 408467209 /nfs/dbraw/zinc/46/72/09/408467209.db2.gz AAGFAAICWXWRGA-CABCVRRESA-N 0 1 314.389 1.239 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000184366867 408601543 /nfs/dbraw/zinc/60/15/43/408601543.db2.gz IEVMTANGUJORFY-AWEZNQCLSA-N 0 1 322.430 1.776 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3cc(C)ccn3)CCO2)n[nH]1 ZINC000184195060 408569134 /nfs/dbraw/zinc/56/91/34/408569134.db2.gz NNTUGMRJRRKBFN-LLVKDONJSA-N 0 1 316.365 1.676 10 0 DDAEMN Cc1cccc(F)c1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000248469996 408574641 /nfs/dbraw/zinc/57/46/41/408574641.db2.gz HOHMOVCXLHVEHZ-CHWSQXEVSA-N 0 1 312.410 1.991 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000184366843 408601129 /nfs/dbraw/zinc/60/11/29/408601129.db2.gz IEVMTANGUJORFY-CQSZACIVSA-N 0 1 322.430 1.776 10 0 DDAEMN COC(=O)[C@@]1(C)CCCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000192833070 408659403 /nfs/dbraw/zinc/65/94/03/408659403.db2.gz JJNYXRZWJXXGPG-QGZVFWFLSA-N 0 1 311.470 1.430 10 0 DDAEMN COC[C@@H]1CN(Cc2ccncc2F)C[C@H]1c1nc(C)no1 ZINC000253409483 408815042 /nfs/dbraw/zinc/81/50/42/408815042.db2.gz LXTPPYOPUZVQEL-QWHCGFSZSA-N 0 1 306.341 1.774 10 0 DDAEMN OCCN(Cc1cccnc1)C[C@H](O)COCc1ccccc1 ZINC000178337495 408807036 /nfs/dbraw/zinc/80/70/36/408807036.db2.gz SZGHLRSJTWCPOO-SFHVURJKSA-N 0 1 316.401 1.454 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000285758909 408858976 /nfs/dbraw/zinc/85/89/76/408858976.db2.gz LXVDVERRKQORFB-OCCSQVGLSA-N 0 1 302.378 1.840 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC(C)(C)CC)CCO2)n[nH]1 ZINC000190772981 163158357 /nfs/dbraw/zinc/15/83/57/163158357.db2.gz YPWNUNDLBGSMOK-LLVKDONJSA-N 0 1 309.414 1.886 10 0 DDAEMN CC(C)(C)C(=O)NCCCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195072248 163305392 /nfs/dbraw/zinc/30/53/92/163305392.db2.gz ZWXKZADYHACRPX-CQSZACIVSA-N 0 1 309.454 1.626 10 0 DDAEMN O[C@@H]1CC[C@H](NCc2ncc(I)s2)C1 ZINC000307446294 164003998 /nfs/dbraw/zinc/00/39/98/164003998.db2.gz CXDOFVSBUYBELO-NKWVEPMBSA-N 0 1 324.187 1.751 10 0 DDAEMN CSc1ccc(N2CCC[C@@H](CN3CCOCC3)C2)nn1 ZINC000301395318 410710635 /nfs/dbraw/zinc/71/06/35/410710635.db2.gz LLEPJDUTYNUEKW-ZDUSSCGKSA-N 0 1 308.451 1.747 10 0 DDAEMN CC[C@@H]1C[C@H](C)CN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263473104 287297327 /nfs/dbraw/zinc/29/73/27/287297327.db2.gz LXHIYORXSXEXKQ-RJZJGCCBSA-N 0 1 311.426 1.754 10 0 DDAEMN CN(CC1CC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630658711 422245451 /nfs/dbraw/zinc/24/54/51/422245451.db2.gz UMEISXZXCTXXKC-JKSUJKDBSA-N 0 1 316.401 1.973 10 0 DDAEMN CN(CC1CC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630658711 422245456 /nfs/dbraw/zinc/24/54/56/422245456.db2.gz UMEISXZXCTXXKC-JKSUJKDBSA-N 0 1 316.401 1.973 10 0 DDAEMN CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)ns3)C[C@H]21 ZINC000301674441 277125245 /nfs/dbraw/zinc/12/52/45/277125245.db2.gz RSVQFQLUIIYAQT-CHWSQXEVSA-N 0 1 302.403 1.724 10 0 DDAEMN COC(=O)C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000188915944 277324812 /nfs/dbraw/zinc/32/48/12/277324812.db2.gz OAKIBOOEEOHALG-CQSZACIVSA-N 0 1 301.346 1.763 10 0 DDAEMN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1O ZINC000123838353 281178471 /nfs/dbraw/zinc/17/84/71/281178471.db2.gz WLPZEHIEZUSXCO-LBPRGKRZSA-N 0 1 316.336 1.720 10 0 DDAEMN CCCN(C[C@@H](O)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000128086314 281297985 /nfs/dbraw/zinc/29/79/85/281297985.db2.gz WEDLEUAUBRSIDO-CHWSQXEVSA-N 0 1 307.456 1.062 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)o1 ZINC000151161541 281671191 /nfs/dbraw/zinc/67/11/91/281671191.db2.gz DVBVJJZPMLJVBC-ZDUSSCGKSA-N 0 1 309.410 1.747 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000364902908 307053295 /nfs/dbraw/zinc/05/32/95/307053295.db2.gz CYSFDBJAXDGDID-KBPBESRZSA-N 0 1 301.394 1.081 10 0 DDAEMN CCOc1ccnc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000121015367 490621352 /nfs/dbraw/zinc/62/13/52/490621352.db2.gz ROQQOUULRFHTNE-ZIAGYGMSSA-N 0 1 306.410 1.301 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1 ZINC000251579382 490707684 /nfs/dbraw/zinc/70/76/84/490707684.db2.gz CIEWURNBXKFPFU-XHDPSFHLSA-N 0 1 310.419 1.460 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000262585198 500819509 /nfs/dbraw/zinc/81/95/09/500819509.db2.gz VHVBMQZFVNGBSO-OLZOCXBDSA-N 0 1 308.378 1.465 10 0 DDAEMN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCNCC1)C(C)C ZINC000020184067 696070168 /nfs/dbraw/zinc/07/01/68/696070168.db2.gz KQIXYXRBDNXLGJ-HNNXBMFYSA-N 0 1 303.406 1.181 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000183730884 697492323 /nfs/dbraw/zinc/49/23/23/697492323.db2.gz FWZFCUMOBHUZGW-DCAQKATOSA-N 0 1 324.343 1.357 10 0 DDAEMN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)[C@H]1CCOC1 ZINC000247233499 698363831 /nfs/dbraw/zinc/36/38/31/698363831.db2.gz SJRBYOBASLDIHK-QEYWKRMJSA-N 0 1 309.284 1.412 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000262181557 698458212 /nfs/dbraw/zinc/45/82/12/698458212.db2.gz BNSZORVNLAFBDN-LDYMZIIASA-N 0 1 306.284 1.736 10 0 DDAEMN COC[C@H](N)C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000262300365 698463799 /nfs/dbraw/zinc/46/37/99/698463799.db2.gz NVACQLSOWWXKAP-NSHDSACASA-N 0 1 306.284 1.174 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Br)cc1OC ZINC000712384360 699262163 /nfs/dbraw/zinc/26/21/63/699262163.db2.gz XDTLHYPNSPRTLP-MRVPVSSYSA-N 0 1 303.156 1.370 10 0 DDAEMN COc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)sn1 ZINC000720369491 699305351 /nfs/dbraw/zinc/30/53/51/699305351.db2.gz CHXOKGFOFKFKBA-HTQZYQBOSA-N 0 1 310.297 1.847 10 0 DDAEMN COc1cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)sn1 ZINC000720369491 699305354 /nfs/dbraw/zinc/30/53/54/699305354.db2.gz CHXOKGFOFKFKBA-HTQZYQBOSA-N 0 1 310.297 1.847 10 0 DDAEMN Cn1cccc1C(=O)N1CCCC[C@@H]1c1[nH]ncc1C(N)=O ZINC000826848978 705884305 /nfs/dbraw/zinc/88/43/05/705884305.db2.gz FZIFRQQJMNLMLS-LLVKDONJSA-N 0 1 301.350 1.215 10 0 DDAEMN Cn1ccc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(N)=O)c1 ZINC000864915037 706300315 /nfs/dbraw/zinc/30/03/15/706300315.db2.gz KGTRGCJHHCFFDL-LBPRGKRZSA-N 0 1 301.350 1.215 10 0 DDAEMN COC(=O)/C=C(\C)CN1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000929729751 713678170 /nfs/dbraw/zinc/67/81/70/713678170.db2.gz JDTJXEPQCXXUSP-OBIHZWKSSA-N 0 1 322.409 1.595 10 0 DDAEMN COC(=O)/C=C(\C)CN1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000929729751 713678172 /nfs/dbraw/zinc/67/81/72/713678172.db2.gz JDTJXEPQCXXUSP-OBIHZWKSSA-N 0 1 322.409 1.595 10 0 DDAEMN O=C([O-])CC[C@H](NC(=O)[C@@H]1CSC[NH2+]1)c1ccc(F)cc1 ZINC000074599546 185001298 /nfs/dbraw/zinc/00/12/98/185001298.db2.gz CJQQKMCYDKDZKQ-RYUDHWBXSA-N 0 1 312.366 1.510 10 0 DDAEMN CCC[C@@H](CCNC(=O)NCC[N@@H+](C)CC)CCC(=O)[O-] ZINC000079234246 185162006 /nfs/dbraw/zinc/16/20/06/185162006.db2.gz LBEGQFNRVUGWIN-CYBMUJFWSA-N 0 1 301.431 1.909 10 0 DDAEMN CC[N@@H+](C)CCNC(=O)NCC[C@@H](CCC(=O)[O-])C(C)C ZINC000079252921 185162676 /nfs/dbraw/zinc/16/26/76/185162676.db2.gz YMQXXEMTOLMDGO-CYBMUJFWSA-N 0 1 301.431 1.764 10 0 DDAEMN CCn1cnnc1[C@@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328633852 231269242 /nfs/dbraw/zinc/26/92/42/231269242.db2.gz BDWIXXQYTXPKCP-TZMCWYRMSA-N 0 1 303.410 1.241 10 0 DDAEMN C[C@@H]1CCN(C[C@@H](O)COCc2ccccc2)[C@H](C(N)=O)C1 ZINC000249569068 282174731 /nfs/dbraw/zinc/17/47/31/282174731.db2.gz NUNDMVJOSZYMRJ-BMFZPTHFSA-N 0 1 306.406 1.150 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)COCc2ccnn2C)n[nH]1 ZINC000328793605 231346620 /nfs/dbraw/zinc/34/66/20/231346620.db2.gz BAFMEXQVUIETPV-CYBMUJFWSA-N 0 1 318.381 1.117 10 0 DDAEMN CCCc1ccc([C@H](N)CS(=O)(=O)CC(=O)OCC)cc1 ZINC000081977453 192347485 /nfs/dbraw/zinc/34/74/85/192347485.db2.gz OWLAJHLBPPSIHV-CQSZACIVSA-N 0 1 313.419 1.617 10 0 DDAEMN CC(C)C(=O)NCCCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000158693915 539217378 /nfs/dbraw/zinc/21/73/78/539217378.db2.gz HNDYEVNPZPLWIF-MRXNPFEDSA-N 0 1 319.449 1.438 10 0 DDAEMN C[C@H](NC(=O)CN[C@@H](C)c1cccc(Cl)c1)C(=O)N(C)C ZINC000181410342 539237862 /nfs/dbraw/zinc/23/78/62/539237862.db2.gz WHMKRGRWPXILJH-QWRGUYRKSA-N 0 1 311.813 1.584 10 0 DDAEMN Cc1cc(-n2cc(I)cn2)c(CO)cn1 ZINC000088110387 185239694 /nfs/dbraw/zinc/23/96/94/185239694.db2.gz NASZUASDIRUOMJ-UHFFFAOYSA-N 0 1 315.114 1.673 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)Cc1cccc(OC)c1)C(C)C ZINC000183647685 539242580 /nfs/dbraw/zinc/24/25/80/539242580.db2.gz YYNIKOACZMGDDQ-MRXNPFEDSA-N 0 1 321.421 1.014 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NCc1ccc(C)c(F)c1)C(C)C ZINC000183668392 539242936 /nfs/dbraw/zinc/24/29/36/539242936.db2.gz UMRBPUFCWXSDMB-OAHLLOKOSA-N 0 1 309.385 1.111 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCCOC)c1ccc(OC)cc1 ZINC000081985128 192349162 /nfs/dbraw/zinc/34/91/62/192349162.db2.gz ZDLKLNLMFDSNTQ-AWEZNQCLSA-N 0 1 301.408 1.407 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N[C@H]3CCCN(C)C3)c(N)c12 ZINC000088641138 185260791 /nfs/dbraw/zinc/26/07/91/185260791.db2.gz XPPJAXYANAUEMC-VIFPVBQESA-N 0 1 307.423 1.349 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccn2)CCN1C[C@H](C)O ZINC000248465441 539272054 /nfs/dbraw/zinc/27/20/54/539272054.db2.gz ZIKWDUQVJIJSPO-SOUVJXGZSA-N 0 1 320.437 1.629 10 0 DDAEMN O=C1[C@@H]2Cc3nc[nH]c3CN2C(=O)N1c1cccc(Cl)c1 ZINC000092779334 185340054 /nfs/dbraw/zinc/34/00/54/185340054.db2.gz INZSRRKGDXUBGM-LBPRGKRZSA-N 0 1 302.721 1.957 10 0 DDAEMN COc1c(CN2CCC(c3ccnn3C)CC2)c(C)nn1C ZINC000092810462 185343038 /nfs/dbraw/zinc/34/30/38/185343038.db2.gz XBVSQYXQEVNUBS-UHFFFAOYSA-N 0 1 303.410 1.850 10 0 DDAEMN Cc1csc2nc(C[N@@H+]3CC[C@@H](C(=O)[O-])[C@@H]3C)cc(=O)n12 ZINC000092939514 185349980 /nfs/dbraw/zinc/34/99/80/185349980.db2.gz ZKELPBBTOCPXNR-GXSJLCMTSA-N 0 1 307.375 1.359 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccco2)C[C@H]1CC ZINC000172045921 198030518 /nfs/dbraw/zinc/03/05/18/198030518.db2.gz TXHWABFBJFWMKQ-CQSZACIVSA-N 0 1 309.410 1.922 10 0 DDAEMN Cc1cc(C)nc(N2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)n1 ZINC000072388627 191147354 /nfs/dbraw/zinc/14/73/54/191147354.db2.gz ODCLVBLHMGNVDB-CYBMUJFWSA-N 0 1 314.393 1.860 10 0 DDAEMN CNC(=O)c1c[nH]nc1[C@]1(C)CCCN(Cc2ccccn2)C1 ZINC000072388730 191148537 /nfs/dbraw/zinc/14/85/37/191148537.db2.gz TZKWMZUWRBJDPK-QGZVFWFLSA-N 0 1 313.405 1.718 10 0 DDAEMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000173235727 198199282 /nfs/dbraw/zinc/19/92/82/198199282.db2.gz VVIBWGFIEDRDAQ-CHWSQXEVSA-N 0 1 307.394 1.614 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3sccc3C)CCO2)n[nH]1 ZINC000173555520 198226137 /nfs/dbraw/zinc/22/61/37/198226137.db2.gz FXLPYZDHHNIJPK-JTQLQIEISA-N 0 1 306.391 1.951 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(Cl)nc3)CCO2)n[nH]1 ZINC000173608208 198231606 /nfs/dbraw/zinc/23/16/06/198231606.db2.gz RQQQKHXAQRMXRA-SNVBAGLBSA-N 0 1 321.768 1.629 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3cccc(O)c3)CCO2)n[nH]1 ZINC000173756244 198248364 /nfs/dbraw/zinc/24/83/64/198248364.db2.gz YMEWBXUHJPSUKZ-ZDUSSCGKSA-N 0 1 316.361 1.215 10 0 DDAEMN Cn1cnnc1[C@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000328630345 354553059 /nfs/dbraw/zinc/55/30/59/354553059.db2.gz JHEQQAYEZODESY-RHSMWYFYSA-N 0 1 312.417 1.994 10 0 DDAEMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC(=O)[O-] ZINC000398025640 354656068 /nfs/dbraw/zinc/65/60/68/354656068.db2.gz JVFQVNPVNJNSDF-OAHLLOKOSA-N 0 1 321.421 1.869 10 0 DDAEMN COc1cc(C(C)C)ccc1S(=O)(=O)NCCN(C)C ZINC000074935657 191389049 /nfs/dbraw/zinc/38/90/49/191389049.db2.gz JIBODRRVCIDPDO-UHFFFAOYSA-N 0 1 300.424 1.659 10 0 DDAEMN O=C(Cn1c(=O)ccc2cc(Cl)ccc21)N1CCNCC1 ZINC000075282559 191456839 /nfs/dbraw/zinc/45/68/39/191456839.db2.gz YWWJCETZOGGMOP-UHFFFAOYSA-N 0 1 305.765 1.087 10 0 DDAEMN CNc1ncc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000081695400 192314543 /nfs/dbraw/zinc/31/45/43/192314543.db2.gz UUPPNINHFRGSFR-SECBINFHSA-N 0 1 318.830 1.101 10 0 DDAEMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@]1(N)CCOC1 ZINC000085912575 192539426 /nfs/dbraw/zinc/53/94/26/192539426.db2.gz YGRJQKJNLXJBAR-AWEZNQCLSA-N 0 1 312.391 1.544 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cnc4cc(C)ccn34)CCO2)n[nH]1 ZINC000180109674 199118478 /nfs/dbraw/zinc/11/84/78/199118478.db2.gz ZLFSHAWXIBKKLK-AWEZNQCLSA-N 0 1 312.377 1.643 10 0 DDAEMN COC(=O)c1ccccc1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180223882 199133366 /nfs/dbraw/zinc/13/33/66/199133366.db2.gz OKSQMRCIPSGGKH-PBHICJAKSA-N 0 1 318.417 1.626 10 0 DDAEMN COCCN([C@H](C)C1CC1)S(=O)(=O)c1cc(CN)oc1C ZINC000089006832 192693227 /nfs/dbraw/zinc/69/32/27/192693227.db2.gz ATDMOXDNDJCQED-SNVBAGLBSA-N 0 1 316.423 1.482 10 0 DDAEMN CCN(CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)C1CC1 ZINC000187610518 200133581 /nfs/dbraw/zinc/13/35/81/200133581.db2.gz DHANVZJDCGQYAV-ZFWWWQNUSA-N 0 1 308.447 1.767 10 0 DDAEMN CC(C)c1nc([C@@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687411 193091503 /nfs/dbraw/zinc/09/15/03/193091503.db2.gz GTLATJRHHHXEPM-QMMMGPOBSA-N 0 1 316.199 1.659 10 0 DDAEMN CNc1ccccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092023856 193143858 /nfs/dbraw/zinc/14/38/58/193143858.db2.gz NJHNXDFZDAOYJC-OLZOCXBDSA-N 0 1 309.435 1.586 10 0 DDAEMN COCc1cccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000625627035 367058354 /nfs/dbraw/zinc/05/83/54/367058354.db2.gz JSNRZQIDGLSVFB-IAGOWNOFSA-N 0 1 317.389 1.191 10 0 DDAEMN O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000333318457 284083634 /nfs/dbraw/zinc/08/36/34/284083634.db2.gz AOWPVJFXZQJOMH-DGCLKSJQSA-N 0 1 313.361 1.827 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@@H](n2cc(Br)cn2)C1 ZINC000093833162 193314642 /nfs/dbraw/zinc/31/46/42/193314642.db2.gz BJQIFCZGXKGJMN-MWLCHTKSSA-N 0 1 302.172 1.631 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(N)cc(F)c1C ZINC000094360410 193365735 /nfs/dbraw/zinc/36/57/35/193365735.db2.gz UCOLCAHTFVMLLR-UHFFFAOYSA-N 0 1 317.430 1.679 10 0 DDAEMN Brc1cccn2nc(NCCc3nc[nH]n3)nc12 ZINC000094606423 193384735 /nfs/dbraw/zinc/38/47/35/193384735.db2.gz OKBPBACUCSSMDU-UHFFFAOYSA-N 0 1 308.143 1.265 10 0 DDAEMN NCC[NH2+][C@H](CC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000039715047 183021582 /nfs/dbraw/zinc/02/15/82/183021582.db2.gz LDVQRHXZWMAOOA-CQSZACIVSA-N 0 1 301.346 1.170 10 0 DDAEMN CCC(CC)N(CCOC)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000042680586 183296157 /nfs/dbraw/zinc/29/61/57/183296157.db2.gz VICPWVUIKLLQGT-MRXNPFEDSA-N 0 1 300.443 1.853 10 0 DDAEMN C[N@H+](CCCC(=O)[O-])Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000042717938 183301712 /nfs/dbraw/zinc/30/17/12/183301712.db2.gz YDHJCLWPKGYFAO-UHFFFAOYSA-N 0 1 309.753 1.873 10 0 DDAEMN C[N@@H+](CCCC(=O)[O-])Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000042717938 183301715 /nfs/dbraw/zinc/30/17/15/183301715.db2.gz YDHJCLWPKGYFAO-UHFFFAOYSA-N 0 1 309.753 1.873 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2ccc(F)cc2F)C[C@@H]1C ZINC000105833823 194141514 /nfs/dbraw/zinc/14/15/14/194141514.db2.gz YPZYMPSODJJCRN-LRDDRELGSA-N 0 1 314.376 1.651 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)CCN1CCOC ZINC000105836448 194141553 /nfs/dbraw/zinc/14/15/53/194141553.db2.gz BDKFAADFWFCRNH-JKSUJKDBSA-N 0 1 311.470 1.288 10 0 DDAEMN Cc1noc(C)c1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869091 194152224 /nfs/dbraw/zinc/15/22/24/194152224.db2.gz SAKSAKSGVDJYSF-UHFFFAOYSA-N 0 1 303.410 1.733 10 0 DDAEMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)NC(C1CC1)C1CC1 ZINC000105883866 194157862 /nfs/dbraw/zinc/15/78/62/194157862.db2.gz CLFFYGXCGQINBN-CYBMUJFWSA-N 0 1 317.437 1.295 10 0 DDAEMN CCOCCN1CCN(Cc2ccoc2C(=O)OC)C[C@H]1CC ZINC000106118009 194186821 /nfs/dbraw/zinc/18/68/21/194186821.db2.gz RIJHMVMIVFQHJU-OAHLLOKOSA-N 0 1 324.421 1.999 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccccc2C)CC1 ZINC000109460381 194265355 /nfs/dbraw/zinc/26/53/55/194265355.db2.gz LYIIWKMGUKKCOG-AWEZNQCLSA-N 0 1 305.447 1.818 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000109461588 194266101 /nfs/dbraw/zinc/26/61/01/194266101.db2.gz QLWAFYMSBQRRCM-LBPRGKRZSA-N 0 1 311.476 1.500 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ncccc2C)CC1 ZINC000109461998 194266145 /nfs/dbraw/zinc/26/61/45/194266145.db2.gz HWBBYHJDPQSGMC-GFCCVEGCSA-N 0 1 306.435 1.213 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)c1ccc(Br)cn1 ZINC000061873014 184190611 /nfs/dbraw/zinc/19/06/11/184190611.db2.gz NLIBGYJLLIXWNY-LBPRGKRZSA-N 0 1 310.195 1.668 10 0 DDAEMN COCCN[C@]1(c2nc3c(s2)CCC3)CCN(C2CC2)C1 ZINC000061991972 184200016 /nfs/dbraw/zinc/20/00/16/184200016.db2.gz GXAWQQRRURFODD-MRXNPFEDSA-N 0 1 307.463 1.931 10 0 DDAEMN O=C(NCCc1ncc2ccccn21)c1n[nH]c2c1CCCC2 ZINC000062509308 184240504 /nfs/dbraw/zinc/24/05/04/184240504.db2.gz ASAFRBGJZMHBGS-UHFFFAOYSA-N 0 1 309.373 1.909 10 0 DDAEMN CC[C@H](C)NC(=O)c1ccc(NC(=O)CNCCOC)cc1 ZINC000066224587 184397705 /nfs/dbraw/zinc/39/77/05/184397705.db2.gz DWTPUBAMDXCTDU-LBPRGKRZSA-N 0 1 307.394 1.389 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)s1 ZINC000119687032 195017697 /nfs/dbraw/zinc/01/76/97/195017697.db2.gz TYCKMRSCZQKPSZ-JSGCOSHPSA-N 0 1 324.446 1.687 10 0 DDAEMN O=c1ccn(Cc2nn[nH]n2)c2cc(Br)ccc12 ZINC000053994615 285223054 /nfs/dbraw/zinc/22/30/54/285223054.db2.gz KCBQCLXJKGVUPC-UHFFFAOYSA-N 0 1 306.123 1.325 10 0 DDAEMN Cc1cccc(CN2C[C@H]3CN(Cc4nccn4C)C[C@H]3C2=O)c1 ZINC000248159750 257107256 /nfs/dbraw/zinc/10/72/56/257107256.db2.gz XBYDYDSMCFKCCQ-IAGOWNOFSA-N 0 1 324.428 1.819 10 0 DDAEMN Cc1ccc(N2CCO[C@@H]3CN(Cc4ccsc4)C[C@@H]32)nn1 ZINC000247889328 257115410 /nfs/dbraw/zinc/11/54/10/257115410.db2.gz FNHJQDWLUIKUAE-LSDHHAIUSA-N 0 1 316.430 1.936 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000121053460 195288121 /nfs/dbraw/zinc/28/81/21/195288121.db2.gz PKLFSFOEUSGFQR-WFASDCNBSA-N 0 1 324.450 1.749 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114409815 407569175 /nfs/dbraw/zinc/56/91/75/407569175.db2.gz WZCWBVUZUJCIJV-NVXWUHKLSA-N 0 1 312.417 1.556 10 0 DDAEMN CCOc1ccc(S(=O)(=O)[C@@H](CN)c2cccnc2)cc1 ZINC000011847661 406832899 /nfs/dbraw/zinc/83/28/99/406832899.db2.gz ZUDJWTFKDXPIGK-HNNXBMFYSA-N 0 1 306.387 1.954 10 0 DDAEMN Cc1cccc2nc(CNc3nn4c(nccc4=O)s3)[nH]c21 ZINC000123175105 407321607 /nfs/dbraw/zinc/32/16/07/407321607.db2.gz XIKNMEPLKMLAQH-UHFFFAOYSA-N 0 1 312.358 1.948 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC000123556028 407331967 /nfs/dbraw/zinc/33/19/67/407331967.db2.gz GQEBZVPYOWYCDU-GFCCVEGCSA-N 0 1 302.340 1.992 10 0 DDAEMN O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCCCCC1 ZINC000105882924 407356197 /nfs/dbraw/zinc/35/61/97/407356197.db2.gz YTJJCKKJTSRVKY-HNNXBMFYSA-N 0 1 305.426 1.393 10 0 DDAEMN CS[C@H](CO)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000126235574 407409093 /nfs/dbraw/zinc/40/90/93/407409093.db2.gz YECWJHQEZWXSRB-NWANDNLSSA-N 0 1 310.463 1.388 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)N(C)Cc3ccccc3)CCO2)n[nH]1 ZINC000185872814 407526219 /nfs/dbraw/zinc/52/62/19/407526219.db2.gz QZLKKYBUDRDLPP-AWEZNQCLSA-N 0 1 315.377 1.738 10 0 DDAEMN CCN(CC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)C1CC1 ZINC000152432856 407633880 /nfs/dbraw/zinc/63/38/80/407633880.db2.gz SGZKRZOIEOVBJY-GFCCVEGCSA-N 0 1 321.425 1.068 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000152580914 407656594 /nfs/dbraw/zinc/65/65/94/407656594.db2.gz HHDNMLYZRQXXKP-GFCCVEGCSA-N 0 1 302.382 1.910 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000262279543 407781129 /nfs/dbraw/zinc/78/11/29/407781129.db2.gz LOYWYHZZFPJCSB-IOASZLSFSA-N 0 1 321.421 1.208 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262289204 407784011 /nfs/dbraw/zinc/78/40/11/407784011.db2.gz MUBVSIDJOBUPNU-QGZVFWFLSA-N 0 1 314.385 1.856 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000262289201 407784715 /nfs/dbraw/zinc/78/47/15/407784715.db2.gz MUAYYMWUBNAYRC-NSHDSACASA-N 0 1 306.391 1.734 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000180105258 407855596 /nfs/dbraw/zinc/85/55/96/407855596.db2.gz TUKJKVATMSGMHJ-GFCCVEGCSA-N 0 1 324.816 1.636 10 0 DDAEMN CCCn1nc(C)c(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1C ZINC000180105191 407856267 /nfs/dbraw/zinc/85/62/67/407856267.db2.gz XUOYFNNZOBOHLY-HNNXBMFYSA-N 0 1 318.425 1.910 10 0 DDAEMN O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)[N-]OCc1ccccc1 ZINC000180481521 407892661 /nfs/dbraw/zinc/89/26/61/407892661.db2.gz CVVBGFALDQDVIG-OAHLLOKOSA-N 0 1 315.377 1.163 10 0 DDAEMN CCCn1c(C)nnc1CN1CCN(CCOCC)[C@@H](C)C1 ZINC000245774430 408063474 /nfs/dbraw/zinc/06/34/74/408063474.db2.gz LENZXULEQUPGKA-AWEZNQCLSA-N 0 1 309.458 1.539 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000182145003 408083484 /nfs/dbraw/zinc/08/34/84/408083484.db2.gz AOIPUOQOHDZFNW-HNNXBMFYSA-N 0 1 315.377 1.592 10 0 DDAEMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263372907 408121710 /nfs/dbraw/zinc/12/17/10/408121710.db2.gz VYEVWDHRKTZTLS-LACSLYJWSA-N 0 1 310.438 1.968 10 0 DDAEMN CN(CCOCCO)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246188248 408170129 /nfs/dbraw/zinc/17/01/29/408170129.db2.gz LQZKABRPVFISMH-KGLIPLIRSA-N 0 1 320.216 1.892 10 0 DDAEMN CC(=O)NC1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000190475465 408253378 /nfs/dbraw/zinc/25/33/78/408253378.db2.gz TYIJUOCTMFNYDA-UHFFFAOYSA-N 0 1 302.309 1.176 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CSCCC(C)C)CCO2)n[nH]1 ZINC000173540225 162347546 /nfs/dbraw/zinc/34/75/46/162347546.db2.gz FMIAWJUDGVHQHE-GFCCVEGCSA-N 0 1 312.439 1.792 10 0 DDAEMN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(C)noc1C ZINC000173726056 162359985 /nfs/dbraw/zinc/35/99/85/162359985.db2.gz CAKGCMGEXPUXJQ-CHWSQXEVSA-N 0 1 313.423 1.539 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3cnc(C)s3)C2=O)n(C)n1 ZINC000173851249 162371395 /nfs/dbraw/zinc/37/13/95/162371395.db2.gz OHKNJSBPGJBALZ-ZDUSSCGKSA-N 0 1 319.434 1.779 10 0 DDAEMN c1cc(CN2CC[C@H](N3CCOCC3)C2)c2c(c1)OCCO2 ZINC000173943833 162381100 /nfs/dbraw/zinc/38/11/00/162381100.db2.gz FMOQRFSXCIPEFH-HNNXBMFYSA-N 0 1 304.390 1.364 10 0 DDAEMN COc1ccccc1NC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000176935257 408480441 /nfs/dbraw/zinc/48/04/41/408480441.db2.gz MAIDYCPNXLICJL-ZDUSSCGKSA-N 0 1 317.349 1.727 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)ccc1F ZINC000247516122 408486950 /nfs/dbraw/zinc/48/69/50/408486950.db2.gz WGXDSYIHGRVPDA-PWSUYJOCSA-N 0 1 316.373 1.822 10 0 DDAEMN C[C@H]1CN(Cc2cn3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000177231299 408557091 /nfs/dbraw/zinc/55/70/91/408557091.db2.gz UQPFPXGHRCGGDI-HOCLYGCPSA-N 0 1 300.406 1.487 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(OCCC(N)=O)cc1)N(C)C ZINC000161593940 408617732 /nfs/dbraw/zinc/61/77/32/408617732.db2.gz CXRKWVARPLHVIZ-AWEZNQCLSA-N 0 1 307.394 1.610 10 0 DDAEMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000248860418 408649202 /nfs/dbraw/zinc/64/92/02/408649202.db2.gz DCRRLJKXJAZHTI-BARDWOONSA-N 0 1 313.442 1.352 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000177760743 408703338 /nfs/dbraw/zinc/70/33/38/408703338.db2.gz SARFMBKIXRKICD-GOSISDBHSA-N 0 1 313.445 1.741 10 0 DDAEMN CC(C)N1CC[C@H](N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1=O ZINC000249558600 408743530 /nfs/dbraw/zinc/74/35/30/408743530.db2.gz KVGZVGGBPBEHQH-KKUMJFAQSA-N 0 1 308.447 1.765 10 0 DDAEMN CCC[C@@H]1CN(C(=O)[C@H]2CCCO[C@@H]2C)CCN1CCOC ZINC000249393091 408723727 /nfs/dbraw/zinc/72/37/27/408723727.db2.gz GGCCSSCIEIHEEM-OAGGEKHMSA-N 0 1 312.454 1.761 10 0 DDAEMN Cc1cccc2c(=O)c(C(=O)N[C@@H]3CCc4ncnn4C3)c[nH]c12 ZINC000163543709 408780328 /nfs/dbraw/zinc/78/03/28/408780328.db2.gz KIQWPAQRNPRUQS-LLVKDONJSA-N 0 1 323.356 1.585 10 0 DDAEMN CO[C@@]1(C(=O)N2CCCN(Cc3ccccc3)CC2)CCOC1 ZINC000276521643 408875445 /nfs/dbraw/zinc/87/54/45/408875445.db2.gz ZYTZTKXRANXMRL-SFHVURJKSA-N 0 1 318.417 1.526 10 0 DDAEMN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000190087123 163129752 /nfs/dbraw/zinc/12/97/52/163129752.db2.gz QYFOXFNKVHQZRJ-JSGCOSHPSA-N 0 1 319.380 1.768 10 0 DDAEMN C[S@](=O)Cc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195324779 163317488 /nfs/dbraw/zinc/31/74/88/163317488.db2.gz NELKYNRXHJYQDB-VFNWGFHPSA-N 0 1 306.431 1.485 10 0 DDAEMN CC[C@H]1CC[C@@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000262726658 163869989 /nfs/dbraw/zinc/86/99/89/163869989.db2.gz STTUTQGLMKKNOS-WUCCLRPBSA-N 0 1 324.421 1.388 10 0 DDAEMN CCN(C)C[C@H]1CCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000301435246 410719516 /nfs/dbraw/zinc/71/95/16/410719516.db2.gz KFJGKKIBFSZYBR-GFCCVEGCSA-N 0 1 307.419 1.409 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1C[C@@H](C)O ZINC000105825182 287185808 /nfs/dbraw/zinc/18/58/08/287185808.db2.gz GOYSUYLUABKQOL-HZPDHXFCSA-N 0 1 313.486 1.409 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NC(C)(C)CC)CCN1C[C@@H](C)O ZINC000247154427 287210224 /nfs/dbraw/zinc/21/02/24/287210224.db2.gz LVCVTHCMFCCEJP-RBSFLKMASA-N 0 1 313.486 1.457 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000193356712 222151125 /nfs/dbraw/zinc/15/11/25/222151125.db2.gz LXHJROZWPVYGMJ-QGZVFWFLSA-N 0 1 308.422 1.692 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C(C)C)CCO2)n[nH]1 ZINC000365498509 418868265 /nfs/dbraw/zinc/86/82/65/418868265.db2.gz OYECRRPYYICEDS-AVGNSLFASA-N 0 1 308.382 1.074 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3ccc(O)cc3)CCO2)n[nH]1 ZINC000492522442 420581803 /nfs/dbraw/zinc/58/18/03/420581803.db2.gz OXERCPHXBKEFSG-HJHHMULASA-N 0 1 314.345 1.432 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCOCC[C@H]1c1cnc[nH]1 ZINC000616598082 422513273 /nfs/dbraw/zinc/51/32/73/422513273.db2.gz NPXLPKACPYXJHX-AWEZNQCLSA-N 0 1 307.375 1.562 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2cccn2)N(C)C1 ZINC000344433436 272026171 /nfs/dbraw/zinc/02/61/71/272026171.db2.gz XFPUFUOVOYTGSB-HOCLYGCPSA-N 0 1 314.389 1.208 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC(C)(C)CC2)C1 ZINC000263376468 279058191 /nfs/dbraw/zinc/05/81/91/279058191.db2.gz BZAOBLZYNUVUSI-UHFFFAOYSA-N 0 1 311.426 1.756 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000189139425 279133293 /nfs/dbraw/zinc/13/32/93/279133293.db2.gz AWTDPBPRBZAOJV-KGLIPLIRSA-N 0 1 306.472 1.451 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCC(C)CC2)CCN1C[C@@H](C)O ZINC000105825662 281161207 /nfs/dbraw/zinc/16/12/07/281161207.db2.gz ICXNOYIJZSTTLH-CVEARBPZSA-N 0 1 311.470 1.022 10 0 DDAEMN CCN(C)C(=O)CCN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000130354028 281377686 /nfs/dbraw/zinc/37/76/86/281377686.db2.gz UWBPXPDHFCSVHI-UHFFFAOYSA-N 0 1 321.469 1.023 10 0 DDAEMN Cc1ccccc1CCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246642486 282004212 /nfs/dbraw/zinc/00/42/12/282004212.db2.gz FUUXLWXHWWWQOO-HOTGVXAUSA-N 0 1 304.434 1.841 10 0 DDAEMN C[C@@H]1C[C@@H](C)[C@@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000263464075 297238253 /nfs/dbraw/zinc/23/82/53/297238253.db2.gz WGLJEQKFCXQCHC-GJHZKNFLSA-N 0 1 324.421 1.244 10 0 DDAEMN CC[C@@H]1C[C@@H](CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCO1 ZINC000378616541 302344159 /nfs/dbraw/zinc/34/41/59/302344159.db2.gz CJQWNASCDDVHOO-BFHYXJOUSA-N 0 1 322.409 1.608 10 0 DDAEMN NC(=S)N[C@H]1NC(=S)Oc2ccc(Br)cc21 ZINC000584609493 337372010 /nfs/dbraw/zinc/37/20/10/337372010.db2.gz YTGPFYCXGLUMIU-ZETCQYMHSA-N 0 1 318.221 1.548 10 0 DDAEMN C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1O ZINC000211853241 490696371 /nfs/dbraw/zinc/69/63/71/490696371.db2.gz KDYYBBWAHCGNDO-CHWSQXEVSA-N 0 1 310.419 1.640 10 0 DDAEMN CC[C@H](O)CN1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000157615650 522819151 /nfs/dbraw/zinc/81/91/51/522819151.db2.gz DQUZQUXIPXSGPX-AWEZNQCLSA-N 0 1 302.378 1.630 10 0 DDAEMN C[C@@H](O)[C@H](C)NCc1ncc(I)s1 ZINC000336656993 698769026 /nfs/dbraw/zinc/76/90/26/698769026.db2.gz QQUATRDHYRBNCK-NTSWFWBYSA-N 0 1 312.176 1.607 10 0 DDAEMN CNC(=O)[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000180254508 697446773 /nfs/dbraw/zinc/44/67/73/697446773.db2.gz UATPDIPUUKNQSB-OAHLLOKOSA-N 0 1 304.346 1.359 10 0 DDAEMN COc1c(CNC[C@@H](C)NC(=O)OC(C)(C)C)c(C)nn1C ZINC000192689517 697636528 /nfs/dbraw/zinc/63/65/28/697636528.db2.gz NRCOCFJPGQPPDH-SNVBAGLBSA-N 0 1 312.414 1.740 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(COC)cc2)C1 ZINC000193071755 697649818 /nfs/dbraw/zinc/64/98/18/697649818.db2.gz LLNDXBKGQGIACV-OAHLLOKOSA-N 0 1 319.405 1.372 10 0 DDAEMN CCCOC(=O)[C@H](C)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000246599098 698352186 /nfs/dbraw/zinc/35/21/86/698352186.db2.gz GCZIHTXNMZYUNJ-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)c2ccc(F)cc2)C[C@@H]1C ZINC000247161556 698362565 /nfs/dbraw/zinc/36/25/65/698362565.db2.gz MIIYLXWWGYAJLV-WMLDXEAASA-N 0 1 310.413 1.902 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c(C)cccc2C)C1 ZINC000263220375 698496811 /nfs/dbraw/zinc/49/68/11/698496811.db2.gz YPCBCFPSYSKFAR-UHFFFAOYSA-N 0 1 304.390 1.971 10 0 DDAEMN CCN(C)c1ccc(CNC2CC([N@@H+](CC)CC(=O)[O-])C2)cn1 ZINC000263472653 698508936 /nfs/dbraw/zinc/50/89/36/698508936.db2.gz DUZUAXUCINNLBU-UHFFFAOYSA-N 0 1 320.437 1.565 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@H]2CCSC2)C1 ZINC000263480968 698509402 /nfs/dbraw/zinc/50/94/02/698509402.db2.gz NXTWUCDOMWQPTL-CXQJBGSLSA-N 0 1 315.439 1.071 10 0 DDAEMN CC[C@H](CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263499925 698510455 /nfs/dbraw/zinc/51/04/55/698510455.db2.gz KNZPDXBYEITXDR-NVXWUHKLSA-N 0 1 320.433 1.897 10 0 DDAEMN Cc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNc3ncc(Cl)cn3)C2)n1 ZINC000856773906 704538080 /nfs/dbraw/zinc/53/80/80/704538080.db2.gz AQGWQAUMOJZWFC-IQJOONFLSA-N 0 1 308.773 1.523 10 0 DDAEMN Cc1nnc([C@@H]2C[C@@H](O)[C@@H](CNc3ncc(Cl)cn3)C2)[nH]1 ZINC000856773906 704538081 /nfs/dbraw/zinc/53/80/81/704538081.db2.gz AQGWQAUMOJZWFC-IQJOONFLSA-N 0 1 308.773 1.523 10 0 DDAEMN CC(C)n1nccc1CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886088498 708696149 /nfs/dbraw/zinc/69/61/49/708696149.db2.gz HRNFMQIQSLTWSM-MRXNPFEDSA-N 0 1 318.425 1.162 10 0 DDAEMN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc3cncn3c2)C1 ZINC000888077772 709210231 /nfs/dbraw/zinc/21/02/31/709210231.db2.gz UJEVODHMTWZGEN-ZIAGYGMSSA-N 0 1 311.345 1.660 10 0 DDAEMN CN1C[C@@H]2[C@@H](CCCN2c2nc(Cl)nc3[nH]cnc32)C1=O ZINC000893770251 710820779 /nfs/dbraw/zinc/82/07/79/710820779.db2.gz DZHHDTSYBGTLFY-HTQZYQBOSA-N 0 1 306.757 1.063 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C[C@H]3CCCCC(=O)N3)CCO2)n[nH]1 ZINC000328808927 231354479 /nfs/dbraw/zinc/35/44/79/231354479.db2.gz MIHJZQGWTKIHLT-VXGBXAGGSA-N 0 1 321.381 1.302 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(C)C(C)(C)CC)c1S(N)(=O)=O ZINC000087900747 185236724 /nfs/dbraw/zinc/23/67/24/185236724.db2.gz PFYKBWYNTNVYOS-UHFFFAOYSA-N 0 1 316.427 1.270 10 0 DDAEMN Cc1nc2cc(NS(=O)(=O)c3cccnc3N)ccc2o1 ZINC000088070733 185238876 /nfs/dbraw/zinc/23/88/76/185238876.db2.gz KYCGXIGNXBXPPK-UHFFFAOYSA-N 0 1 304.331 1.914 10 0 DDAEMN CS(=O)(=O)CCn1c(N)nc2ccc(Br)cc21 ZINC000087837010 185233140 /nfs/dbraw/zinc/23/31/40/185233140.db2.gz HUCLGZOJPSCCKJ-UHFFFAOYSA-N 0 1 318.196 1.426 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CCC(CO)CC1 ZINC000181078915 539236955 /nfs/dbraw/zinc/23/69/55/539236955.db2.gz VQCYNPGVMWCVME-JCYILVPMSA-N 0 1 304.434 1.827 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000183668819 539243118 /nfs/dbraw/zinc/24/31/18/539243118.db2.gz CFLPUUWAXHDXGE-WMLDXEAASA-N 0 1 319.449 1.841 10 0 DDAEMN CC(C)(C)[C@@H](CCNC(=O)[C@@H]1COCC[NH2+]1)CCC(=O)[O-] ZINC000088372599 185247295 /nfs/dbraw/zinc/24/72/95/185247295.db2.gz YDZAOZRXJMOQFK-NEPJUHHUSA-N 0 1 300.399 1.008 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000183651942 539242499 /nfs/dbraw/zinc/24/24/99/539242499.db2.gz IKWVPHYMCVCMGF-CQSZACIVSA-N 0 1 311.813 1.947 10 0 DDAEMN CN(CCC(F)(F)F)S(=O)(=O)c1cccc(F)c1CN ZINC000088419111 185249402 /nfs/dbraw/zinc/24/94/02/185249402.db2.gz XQRFLGBQWDECGQ-UHFFFAOYSA-N 0 1 314.304 1.857 10 0 DDAEMN CN1C(=O)C[C@@H](NC[C@H](O)c2cc(Cl)ccc2Cl)C1=O ZINC000088778011 185265397 /nfs/dbraw/zinc/26/53/97/185265397.db2.gz SJLYDMLSKPITIC-MNOVXSKESA-N 0 1 317.172 1.374 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCCO2)CCN1C[C@H](C)O ZINC000248458748 539272057 /nfs/dbraw/zinc/27/20/57/539272057.db2.gz QPQYRYNYRCTBNB-YJNKXOJESA-N 0 1 313.442 1.041 10 0 DDAEMN CCC[N@H+](Cc1c(Cl)c(C)nn1C)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090531132 185300951 /nfs/dbraw/zinc/30/09/51/185300951.db2.gz NUXQBRZOSPRTEB-JQWIXIFHSA-N 0 1 315.801 1.694 10 0 DDAEMN CCC[N@@H+](Cc1c(Cl)c(C)nn1C)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090531132 185300952 /nfs/dbraw/zinc/30/09/52/185300952.db2.gz NUXQBRZOSPRTEB-JQWIXIFHSA-N 0 1 315.801 1.694 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1cccc(Cl)n1)N1CCNCC1 ZINC000092366698 185314308 /nfs/dbraw/zinc/31/43/08/185314308.db2.gz WQYGRLNNPVQOFY-ZDUSSCGKSA-N 0 1 308.813 1.131 10 0 DDAEMN Cc1ccc(N)c(C)c1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000092622540 185329841 /nfs/dbraw/zinc/32/98/41/185329841.db2.gz JGCZKWZCDKFYIY-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN2C)cc1CO ZINC000092678292 185333617 /nfs/dbraw/zinc/33/36/17/185333617.db2.gz SJDHRHASXVKMTR-CQSZACIVSA-N 0 1 312.435 1.202 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2c[nH]c(=O)cc2C(=O)[O-])C1 ZINC000675055264 539562650 /nfs/dbraw/zinc/56/26/50/539562650.db2.gz OXAKUCVOENRXIH-NSHDSACASA-N 0 1 323.349 1.367 10 0 DDAEMN CN1C[C@H]([NH2+]Cc2ccc([O-])c(Br)c2)CCC1=O ZINC000084063467 192399239 /nfs/dbraw/zinc/39/92/39/192399239.db2.gz JLEMQNDTRBANIM-SNVBAGLBSA-N 0 1 313.195 1.865 10 0 DDAEMN CCN1CCN(Cc2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000071665640 191001774 /nfs/dbraw/zinc/00/17/74/191001774.db2.gz KIGRRZBXVDRFBV-UHFFFAOYSA-N 0 1 302.378 1.472 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3c(C)ccn3C)CCO2)n[nH]1 ZINC000189945403 186253152 /nfs/dbraw/zinc/25/31/52/186253152.db2.gz CVNSGRZLSMLNAW-LLVKDONJSA-N 0 1 303.366 1.228 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCc2cccs2)C[C@@H]1C ZINC000174340588 198321849 /nfs/dbraw/zinc/32/18/49/198321849.db2.gz JBEQHZJBBOQYPC-UONOGXRCSA-N 0 1 310.463 1.984 10 0 DDAEMN CCOC(=O)c1ccc(N2CCN(CCOC)[C@H](CC)C2)nc1 ZINC000174736613 198378419 /nfs/dbraw/zinc/37/84/19/198378419.db2.gz GNNMIJWSEZMQHU-OAHLLOKOSA-N 0 1 321.421 1.805 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCCSC)C[C@H]1CC ZINC000153505895 354200095 /nfs/dbraw/zinc/20/00/95/354200095.db2.gz XMDYFOCJTFQBDH-CQSZACIVSA-N 0 1 317.499 1.882 10 0 DDAEMN COc1ccccc1C(=O)Nc1cnc(-n2cccn2)[nH]c1=O ZINC000167737338 354250438 /nfs/dbraw/zinc/25/04/38/354250438.db2.gz SJVCYGWUPNQMJQ-UHFFFAOYSA-N 0 1 311.301 1.629 10 0 DDAEMN C[C@H]1CN(c2ncc(I)cn2)CCN1C ZINC000159220328 354233309 /nfs/dbraw/zinc/23/33/09/354233309.db2.gz PSCXOZLRHASOSH-QMMMGPOBSA-N 0 1 318.162 1.222 10 0 DDAEMN COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000220619647 354314232 /nfs/dbraw/zinc/31/42/32/354314232.db2.gz QPSMQJJPKRQFMX-FZMZJTMJSA-N 0 1 305.378 1.377 10 0 DDAEMN COCCN1CCN(C(=O)[C@@H]2NCCc3ccccc32)C[C@@H]1C ZINC000246528548 354360356 /nfs/dbraw/zinc/36/03/56/354360356.db2.gz RSWJEAGFAFKMOV-WMLDXEAASA-N 0 1 317.433 1.053 10 0 DDAEMN C[N@@H+](Cc1cccc(Br)c1)C[C@](C)(O)C(=O)[O-] ZINC000080210309 192012038 /nfs/dbraw/zinc/01/20/38/192012038.db2.gz MMVHUQLDPQFUMN-LBPRGKRZSA-N 0 1 302.168 1.717 10 0 DDAEMN CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cc(C)c(CN)s1 ZINC000088990834 192684630 /nfs/dbraw/zinc/68/46/30/192684630.db2.gz PULSSKYQMIWEOA-GHMZBOCLSA-N 0 1 318.464 1.703 10 0 DDAEMN CCc1nn(CC)c(CNCCC(N)=O)c1Br ZINC000089348151 192771795 /nfs/dbraw/zinc/77/17/95/192771795.db2.gz IPMYUCZVAUUJTA-UHFFFAOYSA-N 0 1 303.204 1.193 10 0 DDAEMN O=C(NCCN1CCCOCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000189393331 200392962 /nfs/dbraw/zinc/39/29/62/200392962.db2.gz CMCYBSJEVZMIGW-KBPBESRZSA-N 0 1 324.371 1.907 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000195178734 201353724 /nfs/dbraw/zinc/35/37/24/201353724.db2.gz OFMPCWGRKSMNNO-AEFFLSMTSA-N 0 1 321.465 1.938 10 0 DDAEMN Cc1ncccc1NS(=O)(=O)c1cnc(NN)c(Cl)c1 ZINC000091497440 193065485 /nfs/dbraw/zinc/06/54/85/193065485.db2.gz NVKDNOKDZJCTDR-UHFFFAOYSA-N 0 1 313.770 1.525 10 0 DDAEMN COC(CNCc1cnc2cnc(Br)cn12)OC ZINC000092049489 193148643 /nfs/dbraw/zinc/14/86/43/193148643.db2.gz MTOJWAZENYCKIS-UHFFFAOYSA-N 0 1 315.171 1.200 10 0 DDAEMN CNC(=O)[C@H]1CCCN1Cc1cccc(OCCCOC)c1 ZINC000092100211 193157818 /nfs/dbraw/zinc/15/78/18/193157818.db2.gz GMQTZSHHTUSITM-MRXNPFEDSA-N 0 1 306.406 1.812 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093778991 193306091 /nfs/dbraw/zinc/30/60/91/193306091.db2.gz BELGEBYPJJAZKD-AMIZOPFISA-N 0 1 307.379 1.258 10 0 DDAEMN CCc1nn(CC)c(C[C@@H](O)[C@H]2CN(C)CCN2C)c1Cl ZINC000093893705 193323660 /nfs/dbraw/zinc/32/36/60/193323660.db2.gz OUXNKPRLSAUHRN-ZIAGYGMSSA-N 0 1 314.861 1.268 10 0 DDAEMN CCCNCc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644053 193389428 /nfs/dbraw/zinc/38/94/28/193389428.db2.gz NXVSMWKUYYKKPY-NEPJUHHUSA-N 0 1 300.428 1.306 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H](N2CCC3(CC2)OCCO3)C1 ZINC000094679972 193391903 /nfs/dbraw/zinc/39/19/03/193391903.db2.gz MFTJOHOEMLQPLZ-CHWSQXEVSA-N 0 1 303.424 1.181 10 0 DDAEMN CC[C@H]1CN2CCCC[C@@H]2CN1CC(C)(C)S(C)(=O)=O ZINC000094435235 193370457 /nfs/dbraw/zinc/37/04/57/193370457.db2.gz GHFWZXMIRFBHNJ-UONOGXRCSA-N 0 1 302.484 1.758 10 0 DDAEMN N[C@@H](c1ccccc1OC(F)(F)F)[C@H]1CN2CCN1CC2 ZINC000094508414 193375209 /nfs/dbraw/zinc/37/52/09/193375209.db2.gz CIWGMFVTVYUSHZ-YPMHNXCESA-N 0 1 301.312 1.585 10 0 DDAEMN NCc1ccc(C(=O)Nc2ccccc2SCC(N)=O)o1 ZINC000094566691 193380774 /nfs/dbraw/zinc/38/07/74/193380774.db2.gz CUPJFUOQUXVYCF-UHFFFAOYSA-N 0 1 305.359 1.568 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)OC(=O)c1ccc2c(c1)OCO2 ZINC000019721922 182138525 /nfs/dbraw/zinc/13/85/25/182138525.db2.gz UDTGCMBLLDYHQC-GFCCVEGCSA-N 0 1 306.362 1.208 10 0 DDAEMN O=C(Nc1nc2c(s1)CNCC2)[C@H]1Cc2ccccc2O1 ZINC000036233142 182810756 /nfs/dbraw/zinc/81/07/56/182810756.db2.gz HETOEVQEOFTBSH-GFCCVEGCSA-N 0 1 301.371 1.731 10 0 DDAEMN Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000106513342 248248772 /nfs/dbraw/zinc/24/87/72/248248772.db2.gz WQZMQEMDSNDCOW-CVEARBPZSA-N 0 1 318.465 1.991 10 0 DDAEMN COCCNC(=O)N1CCN(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000038556709 183002489 /nfs/dbraw/zinc/00/24/89/183002489.db2.gz NBARWSGQMPULLZ-UHFFFAOYSA-N 0 1 317.393 1.349 10 0 DDAEMN Cc1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)[nH]c2c1 ZINC000038554591 183002700 /nfs/dbraw/zinc/00/27/00/183002700.db2.gz ZIPSWNPEKISEGL-UHFFFAOYSA-N 0 1 320.418 1.486 10 0 DDAEMN CCc1nc(CNC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)n[nH]1 ZINC000334092799 249213247 /nfs/dbraw/zinc/21/32/47/249213247.db2.gz OXPVROGALBUAEZ-UKRRQHHQSA-N 0 1 307.398 1.466 10 0 DDAEMN CNC1(c2nc3c(s2)CCCC3)CCS(=O)(=O)CC1 ZINC000042333216 183255260 /nfs/dbraw/zinc/25/52/60/183255260.db2.gz WJHRFZVJVJCVNU-UHFFFAOYSA-N 0 1 300.449 1.645 10 0 DDAEMN COc1ccc(NC(=O)CN(CCC(N)=S)C2CC2)cc1 ZINC000042546087 183282955 /nfs/dbraw/zinc/28/29/55/183282955.db2.gz RXKUVWRBPCGYOA-UHFFFAOYSA-N 0 1 307.419 1.774 10 0 DDAEMN COc1ccc([C@@H](Sc2nc(N)cc(=O)[n-]2)[C@H](C)[NH3+])cc1 ZINC000042965240 183324543 /nfs/dbraw/zinc/32/45/43/183324543.db2.gz BKCFXJNCSRRNNP-SDBXPKJASA-N 0 1 306.391 1.541 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000105264093 194089410 /nfs/dbraw/zinc/08/94/10/194089410.db2.gz CYQUQACJDOIVHJ-KGLIPLIRSA-N 0 1 324.469 1.559 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)NCCC2=CCCCC2)C[C@@H]1C ZINC000105821361 194135798 /nfs/dbraw/zinc/13/57/98/194135798.db2.gz UOODEXFCROMQQY-JKSUJKDBSA-N 0 1 323.481 1.380 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000106454246 194215843 /nfs/dbraw/zinc/21/58/43/194215843.db2.gz KZSJEQWKZRTNGC-INIZCTEOSA-N 0 1 300.406 1.562 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000109466646 194266512 /nfs/dbraw/zinc/26/65/12/194266512.db2.gz IAJLQNUHJPRXGP-UHFFFAOYSA-N 0 1 306.435 1.901 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000109460450 194265283 /nfs/dbraw/zinc/26/52/83/194265283.db2.gz VDEIXCGVOQOQJK-ZDUSSCGKSA-N 0 1 309.410 1.648 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2cc(N)ccc2Cl)CCN1C ZINC000110703615 194352413 /nfs/dbraw/zinc/35/24/13/194352413.db2.gz SXKZKYDOALWTCC-LBPRGKRZSA-N 0 1 310.829 1.887 10 0 DDAEMN Cc1nc(CNC(=O)NCC[N@H+](C)C(C)C)sc1C(=O)[O-] ZINC000110790613 194359750 /nfs/dbraw/zinc/35/97/50/194359750.db2.gz LEUIWDICFDVQGW-UHFFFAOYSA-N 0 1 314.411 1.289 10 0 DDAEMN CCN1CCN(c2nc3c(cc2C(N)=S)CCC3)C[C@@H]1C ZINC000110755963 194357268 /nfs/dbraw/zinc/35/72/68/194357268.db2.gz OSKSMHGAWRCHJH-NSHDSACASA-N 0 1 304.463 1.735 10 0 DDAEMN COc1cc(NC(=S)NCCc2cnc[nH]2)cc(OC)c1 ZINC000059120046 184134692 /nfs/dbraw/zinc/13/46/92/184134692.db2.gz QEPICJXLDQDBJP-UHFFFAOYSA-N 0 1 306.391 1.956 10 0 DDAEMN O=C1NC(=O)/C(=C/c2ccccc2I)N1 ZINC000059167930 184135200 /nfs/dbraw/zinc/13/52/00/184135200.db2.gz OTFIFKGXLQMNPS-YVMONPNESA-N 0 1 314.082 1.472 10 0 DDAEMN CC[N@@H+](C)CCNC(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061565052 184175114 /nfs/dbraw/zinc/17/51/14/184175114.db2.gz ARXYQZKZWAGXTJ-UHFFFAOYSA-N 0 1 301.293 1.736 10 0 DDAEMN CCCn1c(SCCCC[C@@](C)(N)C(=O)OC)n[nH]c1=O ZINC000061607992 184178002 /nfs/dbraw/zinc/17/80/02/184178002.db2.gz GCXHBCPJBKICDG-CYBMUJFWSA-N 0 1 316.427 1.134 10 0 DDAEMN C[C@H](CCNC(=O)[C@H](N)CCS(C)(=O)=O)c1ccccc1 ZINC000061911026 184194577 /nfs/dbraw/zinc/19/45/77/184194577.db2.gz PUTYSDUCDDCHJB-TZMCWYRMSA-N 0 1 312.435 1.058 10 0 DDAEMN COC(=O)c1ccccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000156661419 197131572 /nfs/dbraw/zinc/13/15/72/197131572.db2.gz WQKHTAIWSQGHTA-CQSZACIVSA-N 0 1 314.389 1.977 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCN(CCOC)[C@H](C)C1 ZINC000120861685 195252346 /nfs/dbraw/zinc/25/23/46/195252346.db2.gz TXMNKCCUVBTSGD-CQSZACIVSA-N 0 1 308.470 1.697 10 0 DDAEMN CCOCCN1CCN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1CC ZINC000491970937 286082942 /nfs/dbraw/zinc/08/29/42/286082942.db2.gz FHQGFQMWBMMIQC-XITLMJRVSA-N 0 1 305.422 1.987 10 0 DDAEMN COCCCNC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000078684559 407041419 /nfs/dbraw/zinc/04/14/19/407041419.db2.gz AEYQTIUTPXRNAG-OLZOCXBDSA-N 0 1 322.405 1.650 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@@H](O)CC)CC2)o1 ZINC000123603608 407334241 /nfs/dbraw/zinc/33/42/41/407334241.db2.gz HWJFBTLCXBEQHC-ZDUSSCGKSA-N 0 1 310.394 1.345 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cc(F)ccc1F ZINC000105932570 407358296 /nfs/dbraw/zinc/35/82/96/407358296.db2.gz DZEGMBPWZGOFNN-CMPLNLGQSA-N 0 1 313.348 1.212 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886857 407356988 /nfs/dbraw/zinc/35/69/88/407356988.db2.gz MZESSBWIQNRETL-HNNXBMFYSA-N 0 1 322.453 1.526 10 0 DDAEMN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1n[nH]c2ccccc21 ZINC000125076722 407378651 /nfs/dbraw/zinc/37/86/51/407378651.db2.gz QQJDIJHXJNMIKC-LBPRGKRZSA-N 0 1 322.372 1.752 10 0 DDAEMN CN1CCN(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109119428 407394806 /nfs/dbraw/zinc/39/48/06/407394806.db2.gz MUYBFCHRQXFKKQ-KGLIPLIRSA-N 0 1 323.387 1.432 10 0 DDAEMN CC(C)c1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)n[nH]1 ZINC000126965000 407424961 /nfs/dbraw/zinc/42/49/61/407424961.db2.gz CXDCODQRMDXFCC-GFCCVEGCSA-N 0 1 302.382 1.677 10 0 DDAEMN Cc1cccc2nc(CN3CCN(C[C@@H](C)O)[C@H](C)C3)cn21 ZINC000171563636 407704419 /nfs/dbraw/zinc/70/44/19/407704419.db2.gz AWSGPGJKORZGOW-HUUCEWRRSA-N 0 1 302.422 1.530 10 0 DDAEMN Cn1cc([C@H]2CCN(CCN3C(=O)c4ccccc4C3=O)C2)cn1 ZINC000116324020 407746243 /nfs/dbraw/zinc/74/62/43/407746243.db2.gz DSAOKOYQQCKRMK-ZDUSSCGKSA-N 0 1 324.384 1.506 10 0 DDAEMN C[C@H](NC(=O)CN1CCC(C)CC1)c1nnc2n1CCCC2 ZINC000131680531 407746480 /nfs/dbraw/zinc/74/64/80/407746480.db2.gz SUNCZABARLWGDV-ZDUSSCGKSA-N 0 1 305.426 1.524 10 0 DDAEMN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](N)COC)c1 ZINC000262300314 407787318 /nfs/dbraw/zinc/78/73/18/407787318.db2.gz NTWYPFNNESOOTA-SMDDNHRTSA-N 0 1 307.394 1.261 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1nc2ccccc2n1C(C)C ZINC000262377534 407817622 /nfs/dbraw/zinc/81/76/22/407817622.db2.gz XJDXVTHGNGPVLY-GFCCVEGCSA-N 0 1 304.394 1.250 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCn2ccnc2)CCN1CCOC ZINC000117467752 407839098 /nfs/dbraw/zinc/83/90/98/407839098.db2.gz MYICRIAZNAQDOO-OAHLLOKOSA-N 0 1 323.441 1.025 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)O1 ZINC000180288903 407871228 /nfs/dbraw/zinc/87/12/28/407871228.db2.gz LNAZFHNFWBZMLX-RDJZCZTQSA-N 0 1 324.465 1.905 10 0 DDAEMN CCO[C@@H]1C[C@@H](NCc2cc(C(N)=O)co2)C12CCOCC2 ZINC000187711665 407880657 /nfs/dbraw/zinc/88/06/57/407880657.db2.gz LORFQPXORRQZEP-ZIAGYGMSSA-N 0 1 308.378 1.442 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3noc4c3CCCC4)CCO2)n[nH]1 ZINC000173657849 407893189 /nfs/dbraw/zinc/89/31/89/407893189.db2.gz JBIYWDCPXYNPAL-CQSZACIVSA-N 0 1 303.366 1.553 10 0 DDAEMN CCC(CC)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262954255 407983390 /nfs/dbraw/zinc/98/33/90/407983390.db2.gz PEDYWKWCCHCYFZ-ZDUSSCGKSA-N 0 1 300.399 1.057 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1C[C@@H](C)O ZINC000174641029 407973723 /nfs/dbraw/zinc/97/37/23/407973723.db2.gz ORUJZWQPYDYNNN-IUODEOHRSA-N 0 1 322.453 1.263 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000174292430 407929474 /nfs/dbraw/zinc/92/94/74/407929474.db2.gz RDNXRGGXWPJLRX-LSDHHAIUSA-N 0 1 316.445 1.631 10 0 DDAEMN Cc1ccc(N2CC[C@H](NC[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000119321414 408039589 /nfs/dbraw/zinc/03/95/89/408039589.db2.gz VRYLLVUWJCLVPZ-HOTGVXAUSA-N 0 1 303.406 1.021 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)o1 ZINC000175317355 408103468 /nfs/dbraw/zinc/10/34/68/408103468.db2.gz QVDIWUXUJQAYBQ-GXFFZTMASA-N 0 1 319.365 1.859 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000246084810 408138812 /nfs/dbraw/zinc/13/88/12/408138812.db2.gz ICKDCMLVTXKRSC-RYUDHWBXSA-N 0 1 324.402 1.273 10 0 DDAEMN Cc1noc([C@H]2COCCN2C(=O)c2ccc(O)c(Cl)c2)n1 ZINC000121071027 408152993 /nfs/dbraw/zinc/15/29/93/408152993.db2.gz DWEDPMMNMXMYJA-LLVKDONJSA-N 0 1 323.736 1.951 10 0 DDAEMN C[C@@H]([NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1)[C@@H]1CCCOC1 ZINC000263520465 408161261 /nfs/dbraw/zinc/16/12/61/408161261.db2.gz QQWBAHFCZVCDLG-WHPGWMBPSA-N 0 1 310.438 1.719 10 0 DDAEMN C[C@H]([NH2+]C1CC([N@H+](CC(=O)[O-])CC2CC2)C1)[C@@H]1CCCOC1 ZINC000263520462 408162301 /nfs/dbraw/zinc/16/23/01/408162301.db2.gz QQWBAHFCZVCDLG-UUNGTBAKSA-N 0 1 310.438 1.719 10 0 DDAEMN CCc1nocc1CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263524007 408165474 /nfs/dbraw/zinc/16/54/74/408165474.db2.gz SMAPYHLOTUHCOC-UHFFFAOYSA-N 0 1 307.394 1.654 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000246191057 408169549 /nfs/dbraw/zinc/16/95/49/408169549.db2.gz NZUBVMYYZQRHNC-ZWNOBZJWSA-N 0 1 318.389 1.972 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000246309715 408214978 /nfs/dbraw/zinc/21/49/78/408214978.db2.gz AGXSBSCBJDZERZ-DZKIICNBSA-N 0 1 317.433 1.273 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000183148623 408335279 /nfs/dbraw/zinc/33/52/79/408335279.db2.gz ITLLLAJPRAIHTB-KGLIPLIRSA-N 0 1 321.421 1.540 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@@H](C)SC)CCO2)n[nH]1 ZINC000133750804 162065345 /nfs/dbraw/zinc/06/53/45/162065345.db2.gz USRPOQVEQVEJHT-NXEZZACHSA-N 0 1 313.427 1.202 10 0 DDAEMN COc1ccnc(CN2CCC[C@H](Cn3ccnn3)C2)c1OC ZINC000190937373 408346133 /nfs/dbraw/zinc/34/61/33/408346133.db2.gz ABDKCLXTKVHCPM-ZDUSSCGKSA-N 0 1 317.393 1.603 10 0 DDAEMN COc1ccc(OC)c(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173662440 162355276 /nfs/dbraw/zinc/35/52/76/162355276.db2.gz WKIOFIAUKBMATC-OAHLLOKOSA-N 0 1 318.377 1.704 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)N(C)c3ccccc3)CCO2)n[nH]1 ZINC000173662647 162355717 /nfs/dbraw/zinc/35/57/17/162355717.db2.gz OBYOGRFPGMVZRN-AWEZNQCLSA-N 0 1 315.377 1.149 10 0 DDAEMN CCOC(=O)[C@H](CC)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000173692931 162357976 /nfs/dbraw/zinc/35/79/76/162357976.db2.gz MSOPGQVPHUITOQ-GJZGRUSLSA-N 0 1 308.426 1.949 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CCN1C[C@H](C)O ZINC000246964242 408374651 /nfs/dbraw/zinc/37/46/51/408374651.db2.gz SXETXPLMVCWYAL-QWHCGFSZSA-N 0 1 322.453 1.624 10 0 DDAEMN COc1ccc(CN(C)C(=O)CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000247224193 408433066 /nfs/dbraw/zinc/43/30/66/408433066.db2.gz QTOAYCRSWABRAD-INIZCTEOSA-N 0 1 317.433 1.434 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2nc3ccccc3n2C)C[C@H]1C ZINC000247238795 408437229 /nfs/dbraw/zinc/43/72/29/408437229.db2.gz SCRXEFRHIXTJFL-KGLIPLIRSA-N 0 1 302.422 1.460 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3c(F)cccc3F)CCO2)n[nH]1 ZINC000176951147 408480767 /nfs/dbraw/zinc/48/07/67/408480767.db2.gz CVWBLKQCSSJPSA-LLVKDONJSA-N 0 1 323.303 1.997 10 0 DDAEMN CCn1cc([C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)cn1 ZINC000191772532 408488919 /nfs/dbraw/zinc/48/89/19/408488919.db2.gz XBYAFUAHXHARLQ-OAHLLOKOSA-N 0 1 317.393 1.963 10 0 DDAEMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177024839 408499644 /nfs/dbraw/zinc/49/96/44/408499644.db2.gz CEEXGEUGROLGCL-LBPRGKRZSA-N 0 1 314.389 1.479 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000177024839 408499646 /nfs/dbraw/zinc/49/96/46/408499646.db2.gz CEEXGEUGROLGCL-LBPRGKRZSA-N 0 1 314.389 1.479 10 0 DDAEMN CCn1cc(CN2CCCN(Cc3cncn3C)CC2)cn1 ZINC000177056711 408510047 /nfs/dbraw/zinc/51/00/47/408510047.db2.gz NMDIQCNMHLCDPC-UHFFFAOYSA-N 0 1 302.426 1.344 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000248620631 408601382 /nfs/dbraw/zinc/60/13/82/408601382.db2.gz MWLGGPPHJOSASD-TUVASFSCSA-N 0 1 311.470 1.908 10 0 DDAEMN C[C@H]1CN(CC(=O)NCC2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000177232119 408556299 /nfs/dbraw/zinc/55/62/99/408556299.db2.gz CAOOLFXUBPPCDH-RDJZCZTQSA-N 0 1 323.481 1.335 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(O)c2)CCN1C[C@H](C)O ZINC000248459288 408571211 /nfs/dbraw/zinc/57/12/11/408571211.db2.gz RFSUVEXOLKYEBI-ZFWWWQNUSA-N 0 1 321.421 1.379 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccnc2)CCN1C[C@H](C)O ZINC000248452257 408571349 /nfs/dbraw/zinc/57/13/49/408571349.db2.gz KGJMCJQVMXRXTR-OFQRWUPVSA-N 0 1 320.437 1.629 10 0 DDAEMN CSCCCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248615957 408596742 /nfs/dbraw/zinc/59/67/42/408596742.db2.gz LWUIHYRLSQOELH-STQMWFEESA-N 0 1 303.472 1.226 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1C[C@@H](O)COc1ccc(F)cc1 ZINC000248664123 408611544 /nfs/dbraw/zinc/61/15/44/408611544.db2.gz JKVHRXRWXCIVOD-UKRRQHHQSA-N 0 1 310.369 1.118 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)n[nH]1 ZINC000161907984 408648820 /nfs/dbraw/zinc/64/88/20/408648820.db2.gz JLHRHXFXCQBJEX-WBMJQRKESA-N 0 1 322.453 1.952 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C(C)(C)CCOC)CCO2)n[nH]1 ZINC000184988117 408731709 /nfs/dbraw/zinc/73/17/09/408731709.db2.gz VFWOFPNRAMTPAV-LLVKDONJSA-N 0 1 310.398 1.330 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1C[C@@H](C)O ZINC000184781801 408688882 /nfs/dbraw/zinc/68/88/82/408688882.db2.gz YQANBYLCVBFHCE-IUODEOHRSA-N 0 1 309.454 1.662 10 0 DDAEMN CCc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)n[nH]1 ZINC000249738848 408758570 /nfs/dbraw/zinc/75/85/70/408758570.db2.gz HGXCHYAAAQRJGU-GDLCADMTSA-N 0 1 305.378 1.918 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC000188577855 163059492 /nfs/dbraw/zinc/05/94/92/163059492.db2.gz KBXZHVNNCIKVRL-CZUORRHYSA-N 0 1 306.454 1.722 10 0 DDAEMN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000191925354 163209221 /nfs/dbraw/zinc/20/92/21/163209221.db2.gz SFIJEKSARCXKOW-HOCLYGCPSA-N 0 1 310.438 1.372 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCc2cccc(N3CC=CC3)c2)N(C)C1 ZINC000345203420 409664648 /nfs/dbraw/zinc/66/46/48/409664648.db2.gz AGWVPRYECQFCON-IRXDYDNUSA-N 0 1 315.417 1.398 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000313304819 409803838 /nfs/dbraw/zinc/80/38/38/409803838.db2.gz HPHXRTXOIOLEBB-ZWNOBZJWSA-N 0 1 318.826 1.309 10 0 DDAEMN NC(=O)[C@H](O)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000299749255 229391521 /nfs/dbraw/zinc/39/15/21/229391521.db2.gz JRPSEBFOUSKAQA-CQSZACIVSA-N 0 1 312.797 1.277 10 0 DDAEMN CC[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ncc(OC)cn1 ZINC000645729094 423157460 /nfs/dbraw/zinc/15/74/60/423157460.db2.gz VXPVXJFWQJSHIO-STQMWFEESA-N 0 1 304.394 1.574 10 0 DDAEMN Cc1ccc(N2CCC(Nc3ccncc3C(N)=O)CC2)nc1 ZINC000302008935 230033508 /nfs/dbraw/zinc/03/35/08/230033508.db2.gz BQGILJPXCATONW-UHFFFAOYSA-N 0 1 311.389 1.965 10 0 DDAEMN CCCC[C@H](NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630571089 422187843 /nfs/dbraw/zinc/18/78/43/422187843.db2.gz JGECJRGMUPYGLF-CABCVRRESA-N 0 1 321.421 1.205 10 0 DDAEMN CCCC[C@H](NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630571089 422187850 /nfs/dbraw/zinc/18/78/50/422187850.db2.gz JGECJRGMUPYGLF-CABCVRRESA-N 0 1 321.421 1.205 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCO[C@@H](n2ccnc2)CC1 ZINC000616595531 422514323 /nfs/dbraw/zinc/51/43/23/422514323.db2.gz NBBYGBZUIPKRRS-CYBMUJFWSA-N 0 1 310.398 1.629 10 0 DDAEMN CCOCCNC(=O)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000180873555 263366727 /nfs/dbraw/zinc/36/67/27/263366727.db2.gz YGPPPKJFEZIAJX-GFCCVEGCSA-N 0 1 310.394 1.507 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187844529 263413601 /nfs/dbraw/zinc/41/36/01/263413601.db2.gz ROKAQFAPFXVWBR-HNNXBMFYSA-N 0 1 315.373 1.168 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)NCc2cccc(F)c2)C[C@H]1C ZINC000180753833 274268027 /nfs/dbraw/zinc/26/80/27/274268027.db2.gz GZUKLQSGVGBLRT-CHWSQXEVSA-N 0 1 309.385 1.422 10 0 DDAEMN CO[C@@H]1COC[C@H]1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000333527590 277303743 /nfs/dbraw/zinc/30/37/43/277303743.db2.gz IJEZPUAZXRBLNI-RBSFLKMASA-N 0 1 320.437 1.598 10 0 DDAEMN CC(C)[C@@H]1N(C(=O)N[C@H]2CCc3nc[nH]c3C2)C[C@]12CCCO2 ZINC000333804954 280052649 /nfs/dbraw/zinc/05/26/49/280052649.db2.gz FBSZNGQHFVJNJX-YLQAJVPDSA-N 0 1 318.421 1.866 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccccc2O)CCN1C[C@H](C)O ZINC000246754026 282012600 /nfs/dbraw/zinc/01/26/00/282012600.db2.gz XQSAISSBACRZAA-KBPBESRZSA-N 0 1 322.405 1.075 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000247275171 282041788 /nfs/dbraw/zinc/04/17/88/282041788.db2.gz KBAUCRNVSHTTQM-QWHCGFSZSA-N 0 1 316.467 1.046 10 0 DDAEMN CCOc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170873522 298223451 /nfs/dbraw/zinc/22/34/51/298223451.db2.gz ACZQUSWNISCVOP-ZDUSSCGKSA-N 0 1 312.435 1.718 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369086427 307115659 /nfs/dbraw/zinc/11/56/59/307115659.db2.gz WQSVQMVSODWWPV-NXEZZACHSA-N 0 1 300.309 1.448 10 0 DDAEMN COCCN1CCN(Cn2nc(C(C)(C)C)ccc2=O)C[C@H]1C ZINC000117322208 696670412 /nfs/dbraw/zinc/67/04/12/696670412.db2.gz UDLQGGSKYKOJMV-CQSZACIVSA-N 0 1 322.453 1.151 10 0 DDAEMN COCCN1CCN(Cn2c3ccccc3oc2=O)C[C@H]1C ZINC000117323390 696670421 /nfs/dbraw/zinc/67/04/21/696670421.db2.gz PBUCFANPUDNCQE-CYBMUJFWSA-N 0 1 305.378 1.205 10 0 DDAEMN O[C@H]1CN[C@@H](c2nc(Cc3ccccc3Br)no2)C1 ZINC000131752040 696808510 /nfs/dbraw/zinc/80/85/10/696808510.db2.gz VVFVEYBEOLARBQ-MWLCHTKSSA-N 0 1 324.178 1.818 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000194048856 697689473 /nfs/dbraw/zinc/68/94/73/697689473.db2.gz TWEJOKZRHSQYRF-QWRGUYRKSA-N 0 1 323.359 1.290 10 0 DDAEMN Cc1cc(C(=O)N[C@H]2CN3CCC2CC3)nc(N2CCCC2)n1 ZINC000222566566 697757656 /nfs/dbraw/zinc/75/76/56/697757656.db2.gz WZHTWKMPZULPMX-HNNXBMFYSA-N 0 1 315.421 1.209 10 0 DDAEMN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H]1CN2CCC1CC2 ZINC000222544923 697758086 /nfs/dbraw/zinc/75/80/86/697758086.db2.gz WFOUHUHIGDNGRK-RISCZKNCSA-N 0 1 318.373 1.393 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)c2ccc(F)cc2)C[C@H]1C ZINC000247161539 698362349 /nfs/dbraw/zinc/36/23/49/698362349.db2.gz MIIYLXWWGYAJLV-RHSMWYFYSA-N 0 1 310.413 1.902 10 0 DDAEMN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(C[C@@H]1CCOC1)C1CC1 ZINC000249701437 698396438 /nfs/dbraw/zinc/39/64/38/698396438.db2.gz IDUBBCXPTJALHY-NWANDNLSSA-N 0 1 304.390 1.396 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC000263202764 698496153 /nfs/dbraw/zinc/49/61/53/698496153.db2.gz VIPPPKMAJMKMKP-GRTSSRMGSA-N 0 1 306.406 1.787 10 0 DDAEMN CC(C)n1nccc1CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263534400 698512382 /nfs/dbraw/zinc/51/23/82/698512382.db2.gz YLDSBNJYXLREBL-UHFFFAOYSA-N 0 1 320.437 1.881 10 0 DDAEMN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000702563728 699230661 /nfs/dbraw/zinc/23/06/61/699230661.db2.gz RONBCSCMHPCBDF-MRXNPFEDSA-N 0 1 300.362 1.078 10 0 DDAEMN CCN1CC[C@H](NC(=O)c2csc(Br)n2)C1 ZINC000709599045 699252410 /nfs/dbraw/zinc/25/24/10/699252410.db2.gz OGKIXPNOXQQOBX-ZETCQYMHSA-N 0 1 304.213 1.730 10 0 DDAEMN O=C(N[C@H](CO)c1ccc(Cl)cc1)C1CN([C@@H]2CCOC2)C1 ZINC000897329594 708293699 /nfs/dbraw/zinc/29/36/99/708293699.db2.gz PLBLDEVQKLTGJQ-HUUCEWRRSA-N 0 1 324.808 1.210 10 0 DDAEMN CC(=O)NC1(c2noc([C@@]3(N)CCN(C)C3)n2)CCCCCC1 ZINC000886077791 708693609 /nfs/dbraw/zinc/69/36/09/708693609.db2.gz FYBHIHMFMOHCJR-OAHLLOKOSA-N 0 1 321.425 1.245 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3cc(O)n[nH]3)cc12 ZINC000898866443 708897669 /nfs/dbraw/zinc/89/76/69/708897669.db2.gz GPSOEEFEZPXTSD-ZETCQYMHSA-N 0 1 305.363 1.863 10 0 DDAEMN CCCc1occc1C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000888078392 709210339 /nfs/dbraw/zinc/21/03/39/709210339.db2.gz NHKGNPVOMYNHQM-KGLIPLIRSA-N 0 1 317.393 1.451 10 0 DDAEMN COc1cccc(CC(=O)N2CCC[C@H]2c2nn[nH]n2)c1Cl ZINC000900390486 709570360 /nfs/dbraw/zinc/57/03/60/709570360.db2.gz OIXLRKCTEWJVST-JTQLQIEISA-N 0 1 321.768 1.768 10 0 DDAEMN Cc1cnc(CN(C)[C@H]2CCN(Cc3c(C)ccnc3N)C2)o1 ZINC000893870131 710865562 /nfs/dbraw/zinc/86/55/62/710865562.db2.gz SVEKWMRYRPALQL-AWEZNQCLSA-N 0 1 315.421 1.975 10 0 DDAEMN CC[C@H](O)[C@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(COC)n1 ZINC000908251610 712720218 /nfs/dbraw/zinc/72/02/18/712720218.db2.gz IHBVYROXKRPBHF-TUAOUCFPSA-N 0 1 310.398 1.412 10 0 DDAEMN C[C@H](NC(=O)c1ccc(N)c(Br)c1)c1nn[nH]n1 ZINC000078893289 185124123 /nfs/dbraw/zinc/12/41/23/185124123.db2.gz ZYLPYQHAJNOFGM-YFKPBYRVSA-N 0 1 311.143 1.035 10 0 DDAEMN N[C@@]1(C(=O)NCc2ccc(Br)s2)CCOC1 ZINC000082963811 185209669 /nfs/dbraw/zinc/20/96/69/185209669.db2.gz QGDZENYKMCOSSW-JTQLQIEISA-N 0 1 305.197 1.245 10 0 DDAEMN CC(C)c1nsc(N2CCC[C@H]2C(=O)N2CCNCC2)n1 ZINC000087642433 185229764 /nfs/dbraw/zinc/22/97/64/185229764.db2.gz CQIOQRHQIJCMFM-NSHDSACASA-N 0 1 309.439 1.062 10 0 DDAEMN COc1ccc(CN2CCCNCC2=O)cc1Br ZINC000087882070 185234468 /nfs/dbraw/zinc/23/44/68/185234468.db2.gz LLDMPZHZODFNPC-UHFFFAOYSA-N 0 1 313.195 1.780 10 0 DDAEMN CCCc1[nH]nc(C(=O)N2CCCC2(C)C)c1S(N)(=O)=O ZINC000087900320 185236535 /nfs/dbraw/zinc/23/65/35/185236535.db2.gz SAOHRXBRJIWMMV-UHFFFAOYSA-N 0 1 314.411 1.024 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000176286638 539229238 /nfs/dbraw/zinc/22/92/38/539229238.db2.gz VDKHHUBFINLYSS-NSHDSACASA-N 0 1 314.324 1.867 10 0 DDAEMN COc1ccc(NC(=O)[C@@]2(N)CCOC2)cc1Br ZINC000088321538 185245621 /nfs/dbraw/zinc/24/56/21/185245621.db2.gz DEXUADOWBOIMFB-GFCCVEGCSA-N 0 1 315.167 1.514 10 0 DDAEMN O=S(=O)(C1CCOCC1)N1CCNCC12CCCCC2 ZINC000088396228 185248442 /nfs/dbraw/zinc/24/84/42/185248442.db2.gz PGBNJDJATLXVAW-UHFFFAOYSA-N 0 1 302.440 1.103 10 0 DDAEMN Nc1ccc2cc(S(=O)(=O)NCc3cnc[nH]3)ccc2n1 ZINC000088752714 185263873 /nfs/dbraw/zinc/26/38/73/185263873.db2.gz XSWNZYUOPZBXRH-UHFFFAOYSA-N 0 1 303.347 1.019 10 0 DDAEMN O=S1(=O)C=C[C@@H](NC2CCN(Cc3ccccc3)CC2)C1 ZINC000088853826 185267285 /nfs/dbraw/zinc/26/72/85/185267285.db2.gz FMUGGHNBIRLOGF-MRXNPFEDSA-N 0 1 306.431 1.551 10 0 DDAEMN Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccc(CN)s1 ZINC000092339821 185312958 /nfs/dbraw/zinc/31/29/58/185312958.db2.gz DJIMRSAPYMXUCE-UHFFFAOYSA-N 0 1 314.436 1.036 10 0 DDAEMN C[N@H+]1CCCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092445794 185319004 /nfs/dbraw/zinc/31/90/04/185319004.db2.gz BATMUNXBNQFWFG-VIFPVBQESA-N 0 1 311.304 1.129 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1c(F)cc(N)cc1F ZINC000092622127 185330045 /nfs/dbraw/zinc/33/00/45/185330045.db2.gz TXVLAUGXXSAQQS-JTQLQIEISA-N 0 1 319.377 1.262 10 0 DDAEMN Cn1nccc1C1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000092810562 185342806 /nfs/dbraw/zinc/34/28/06/185342806.db2.gz ONGCJLHFODZEJG-UHFFFAOYSA-N 0 1 304.419 1.960 10 0 DDAEMN CN[C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCCOC ZINC000092911528 185348564 /nfs/dbraw/zinc/34/85/64/185348564.db2.gz MJPDQFLFSRQVCU-LSDHHAIUSA-N 0 1 313.419 1.332 10 0 DDAEMN COc1cc2nc([C@H](C)N3CCN(C)CC3)[nH]c2cc1OC ZINC000071675631 191005606 /nfs/dbraw/zinc/00/56/06/191005606.db2.gz YTPYBHVAAPOBIH-NSHDSACASA-N 0 1 304.394 1.889 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(C)nc3)CCO2)n[nH]1 ZINC000173558576 198226822 /nfs/dbraw/zinc/22/68/22/198226822.db2.gz OOYVYOVWHWGYRK-GFCCVEGCSA-N 0 1 301.350 1.284 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cccc(OC)n3)CCO2)n[nH]1 ZINC000173688954 198240380 /nfs/dbraw/zinc/24/03/80/198240380.db2.gz YMYAIZVIDVTKDG-GFCCVEGCSA-N 0 1 303.366 1.344 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cccc(OC)c3)CCO2)n[nH]1 ZINC000173760897 198249021 /nfs/dbraw/zinc/24/90/21/198249021.db2.gz FRXBBUIEFMXCBI-CQSZACIVSA-N 0 1 302.378 1.949 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(C3CC3)CC2)CCN1C[C@H](C)O ZINC000248498320 354369407 /nfs/dbraw/zinc/36/94/07/354369407.db2.gz RPGCZUAOMSGDCF-ZFWWWQNUSA-N 0 1 309.454 1.663 10 0 DDAEMN Cc1cn2cc([N-]S(=O)(=O)c3c(C)n[nH]c3C)ccc2[nH+]1 ZINC000074859640 191374064 /nfs/dbraw/zinc/37/40/64/191374064.db2.gz ZPVGEAHPKQDCBG-UHFFFAOYSA-N 0 1 305.363 1.783 10 0 DDAEMN OCC1CC(NCc2ncc(I)s2)C1 ZINC000595001561 356370726 /nfs/dbraw/zinc/37/07/26/356370726.db2.gz XHIUUBQGJDWOQW-UHFFFAOYSA-N 0 1 324.187 1.608 10 0 DDAEMN Cc1n[nH]cc1CNCc1cnc2cnc(Br)cn12 ZINC000092049583 193148723 /nfs/dbraw/zinc/14/87/23/193148723.db2.gz GQWDTSNTRIZJMD-UHFFFAOYSA-N 0 1 321.182 1.813 10 0 DDAEMN O[C@@H]1CN(CCSc2cccc(C(F)(F)F)c2)C[C@@H]1O ZINC000093092570 193203431 /nfs/dbraw/zinc/20/34/31/193203431.db2.gz RCSGLPYSXKEIFI-TXEJJXNPSA-N 0 1 307.337 1.835 10 0 DDAEMN C[C@H](NC(=O)C[C@@H]1COCCN1)c1cccc(-n2ccnc2)c1 ZINC000262304637 203257048 /nfs/dbraw/zinc/25/70/48/203257048.db2.gz CCLRFGTWPCGKBJ-DZGCQCFKSA-N 0 1 314.389 1.428 10 0 DDAEMN C[S@](=O)Cc1cc(NC(=O)[C@@H]2CNCCO2)ccc1Cl ZINC000262623977 203354647 /nfs/dbraw/zinc/35/46/47/203354647.db2.gz IEGQPBKGBLWHLB-YUNKPMOVSA-N 0 1 316.810 1.145 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852125 193319018 /nfs/dbraw/zinc/31/90/18/193319018.db2.gz ZVFQXAZZQQIFQD-SDBXPKJASA-N 0 1 307.379 1.258 10 0 DDAEMN CCc1nn(CC)c(C[C@H](O)[C@@H]2CN(C)CCN2C)c1Cl ZINC000093893702 193324150 /nfs/dbraw/zinc/32/41/50/193324150.db2.gz OUXNKPRLSAUHRN-KBPBESRZSA-N 0 1 314.861 1.268 10 0 DDAEMN Cc1nc(CN(C)C(=O)c2ccc(Br)cc2N)n[nH]1 ZINC000094046425 193341359 /nfs/dbraw/zinc/34/13/59/193341359.db2.gz JGJVJSZRCFVADS-UHFFFAOYSA-N 0 1 324.182 1.730 10 0 DDAEMN CN(C)[C@H](CNC(=O)[C@@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236637 193353508 /nfs/dbraw/zinc/35/35/08/193353508.db2.gz GTLILSWSBMFNKG-LDYMZIIASA-N 0 1 309.357 1.747 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H](Sc2nc(N)cc(N)n2)C1 ZINC000094637410 193387021 /nfs/dbraw/zinc/38/70/21/193387021.db2.gz RWIXOTIPMWZMGS-JGVFFNPUSA-N 0 1 302.425 1.089 10 0 DDAEMN CC[C@@H]1CN2CCCC[C@@H]2CN1CC(C)(C)S(C)(=O)=O ZINC000094435234 193369723 /nfs/dbraw/zinc/36/97/23/193369723.db2.gz GHFWZXMIRFBHNJ-ZIAGYGMSSA-N 0 1 302.484 1.758 10 0 DDAEMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000094442259 193369800 /nfs/dbraw/zinc/36/98/00/193369800.db2.gz FQJJELKVVXJIFQ-UTUOFQBUSA-N 0 1 313.423 1.125 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(N)cc1F ZINC000094457219 193370689 /nfs/dbraw/zinc/37/06/89/193370689.db2.gz HAZVJCOWWUPJDE-CMPLNLGQSA-N 0 1 313.398 1.265 10 0 DDAEMN Cc1csc(CCC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)n1 ZINC000333568875 249026850 /nfs/dbraw/zinc/02/68/50/249026850.db2.gz SXAFLYHDFGXMLF-LLVKDONJSA-N 0 1 305.407 1.908 10 0 DDAEMN CCN(CC)[C@H](CNS(C)(=O)=O)c1ccc(OC)cc1 ZINC000040614938 183108985 /nfs/dbraw/zinc/10/89/85/183108985.db2.gz JKYFQJQOFTZQRA-CQSZACIVSA-N 0 1 300.424 1.627 10 0 DDAEMN NC(=O)c1ccsc1NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000040859407 183142814 /nfs/dbraw/zinc/14/28/14/183142814.db2.gz OHVQXDQCYYNBDZ-GFCCVEGCSA-N 0 1 301.371 1.500 10 0 DDAEMN CC(C)[N@@H+](C)CCCCNC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000041682529 183217089 /nfs/dbraw/zinc/21/70/89/183217089.db2.gz ZBZNZVYNQFVFRD-LBPRGKRZSA-N 0 1 301.431 1.905 10 0 DDAEMN O=C(Nc1cccc(Cl)c1-n1ccnc1)[C@H]1CNCCO1 ZINC000043708396 183382471 /nfs/dbraw/zinc/38/24/71/183382471.db2.gz CBTCDOPTDLRMPP-GFCCVEGCSA-N 0 1 306.753 1.453 10 0 DDAEMN NC(=O)c1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000105140214 194078002 /nfs/dbraw/zinc/07/80/02/194078002.db2.gz BTJOYOMMLQCOTJ-HNNXBMFYSA-N 0 1 316.405 1.165 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2c(F)cccc2F)C[C@@H]1C ZINC000105833845 194142881 /nfs/dbraw/zinc/14/28/81/194142881.db2.gz CYFBHQPUIJHWEO-WFASDCNBSA-N 0 1 314.376 1.651 10 0 DDAEMN CCOCCN1CCN([C@@H](C)C(=O)NCC(C)C)C[C@H]1CC ZINC000105837976 194144146 /nfs/dbraw/zinc/14/41/46/194144146.db2.gz LMXJGLZHVNZSNL-JKSUJKDBSA-N 0 1 313.486 1.580 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C/C=C/Cl)CC2)C1 ZINC000105915327 194169431 /nfs/dbraw/zinc/16/94/31/194169431.db2.gz XQKWRYSPJQFGMK-NHZBNJEXSA-N 0 1 301.862 1.466 10 0 DDAEMN COc1ccc(Cl)cc1CN1CCN(CC(N)=S)CC1 ZINC000109442499 194264026 /nfs/dbraw/zinc/26/40/26/194264026.db2.gz GLHZEMFBWVDSST-UHFFFAOYSA-N 0 1 313.854 1.752 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@H](C(N)=S)c2ccccc2)CCN1C ZINC000110753209 194356743 /nfs/dbraw/zinc/35/67/43/194356743.db2.gz DHTRKMOXTCWIRI-KBPBESRZSA-N 0 1 305.447 1.609 10 0 DDAEMN CCCNc1ncccc1S(=O)(=O)N(C)CCN(C)C ZINC000111151106 194396356 /nfs/dbraw/zinc/39/63/56/194396356.db2.gz FSDLMSRBLZEEFB-UHFFFAOYSA-N 0 1 300.428 1.086 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)C1 ZINC000062965383 184262829 /nfs/dbraw/zinc/26/28/29/184262829.db2.gz RZUHWGBOTYXPFR-SECBINFHSA-N 0 1 321.805 1.386 10 0 DDAEMN Cc1ccc(N2C[C@H]3CN(Cc4ccco4)CCO[C@H]3C2)nn1 ZINC000247922931 257114035 /nfs/dbraw/zinc/11/40/35/257114035.db2.gz OLWNFBSJAUXXOX-ZBFHGGJFSA-N 0 1 314.389 1.715 10 0 DDAEMN O=C(NC[C@@]12COC[C@@H]1CN(Cc1ccoc1)C2)C1CCC1 ZINC000247466923 257119798 /nfs/dbraw/zinc/11/97/98/257119798.db2.gz CWLWWVCNPJEBKR-DOTOQJQBSA-N 0 1 304.390 1.644 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000121053132 195288257 /nfs/dbraw/zinc/28/82/57/195288257.db2.gz PKLFSFOEUSGFQR-DOMZBBRYSA-N 0 1 324.450 1.749 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)NC2CCOCC2)C12CCCC2 ZINC000121154176 195299843 /nfs/dbraw/zinc/29/98/43/195299843.db2.gz KPWALMYABMPEJV-JKSUJKDBSA-N 0 1 324.465 1.951 10 0 DDAEMN CCOCC[N@H+]1CCN(c2cccc(C(=O)[O-])n2)C[C@@H]1CC ZINC000263434138 286090892 /nfs/dbraw/zinc/09/08/92/286090892.db2.gz UTDBKHIHFJGIDI-ZDUSSCGKSA-N 0 1 307.394 1.717 10 0 DDAEMN CCN1CC[C@H](NC(=O)c2ncsc2Br)C1 ZINC000569941291 304386413 /nfs/dbraw/zinc/38/64/13/304386413.db2.gz RGWOLYIZLFVFJV-ZETCQYMHSA-N 0 1 304.213 1.730 10 0 DDAEMN O=C(NCc1ccc(Br)s1)N1CCNCC1 ZINC000071658339 406842466 /nfs/dbraw/zinc/84/24/66/406842466.db2.gz VAOYSTXZUMYQJH-UHFFFAOYSA-N 0 1 304.213 1.625 10 0 DDAEMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)N1CCCCCC1 ZINC000105882922 407356115 /nfs/dbraw/zinc/35/61/15/407356115.db2.gz YTJJCKKJTSRVKY-OAHLLOKOSA-N 0 1 305.426 1.393 10 0 DDAEMN CC(C)c1nnc(CN[C@@H](CC(N)=O)C2CCCCC2)n1C ZINC000182040175 306701957 /nfs/dbraw/zinc/70/19/57/306701957.db2.gz LJZBZUDUKVDRPE-ZDUSSCGKSA-N 0 1 307.442 1.852 10 0 DDAEMN COc1c(C)cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1C ZINC000171770608 407764729 /nfs/dbraw/zinc/76/47/29/407764729.db2.gz SVDSBEPMQGCQHG-CQSZACIVSA-N 0 1 324.446 1.781 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cc(OC)ccc1Br ZINC000262238694 407773478 /nfs/dbraw/zinc/77/34/78/407773478.db2.gz HOBXAJOBLNZSIY-NSHDSACASA-N 0 1 317.183 1.048 10 0 DDAEMN CCc1cc(=O)n2nc(N[C@@H](C)Cc3cc(C)n[nH]3)sc2n1 ZINC000133517033 407852979 /nfs/dbraw/zinc/85/29/79/407852979.db2.gz TZSPMKLPXITKCB-QMMMGPOBSA-N 0 1 318.406 1.788 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000173270189 407873093 /nfs/dbraw/zinc/87/30/93/407873093.db2.gz XTOOKNQAGIQRSG-WBVHZDCISA-N 0 1 319.449 1.982 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C(C)(C)c3ccccc3)CCO2)n[nH]1 ZINC000173522456 407885008 /nfs/dbraw/zinc/88/50/08/407885008.db2.gz YHTNXFZRXUFOHK-AWEZNQCLSA-N 0 1 314.389 1.991 10 0 DDAEMN Cn1nccc1C1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000134383084 407897594 /nfs/dbraw/zinc/89/75/94/407897594.db2.gz HBKNSSNDDBPTEO-ZDUSSCGKSA-N 0 1 313.405 1.969 10 0 DDAEMN Cc1cccc(CCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174319752 407931319 /nfs/dbraw/zinc/93/13/19/407931319.db2.gz WRZMLLOKGALSGF-HZPDHXFCSA-N 0 1 304.434 1.841 10 0 DDAEMN CCSCCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000119277029 408031082 /nfs/dbraw/zinc/03/10/82/408031082.db2.gz WAHZCUWWWGEXLP-MRXNPFEDSA-N 0 1 324.490 1.797 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000262965292 407988723 /nfs/dbraw/zinc/98/87/23/407988723.db2.gz QTZMHARBQZCIDU-ZDUSSCGKSA-N 0 1 313.442 1.018 10 0 DDAEMN C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262984774 407994077 /nfs/dbraw/zinc/99/40/77/407994077.db2.gz NANDRDYSWZMUHE-DJLDLDEBSA-N 0 1 310.316 1.485 10 0 DDAEMN CC[C@H]1CN(c2ncnc(Cl)c2NC)CCN1C[C@@H](C)O ZINC000136041789 408070047 /nfs/dbraw/zinc/07/00/47/408070047.db2.gz SPBNHQHWSNXAIO-MNOVXSKESA-N 0 1 313.833 1.453 10 0 DDAEMN COC(CN(C)C[C@@H](c1cccs1)N1CCOCC1)OC ZINC000136761958 408123237 /nfs/dbraw/zinc/12/32/37/408123237.db2.gz URRXSDMOWUOLKW-ZDUSSCGKSA-N 0 1 314.451 1.672 10 0 DDAEMN C[C@H](O)CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C ZINC000246051888 408130142 /nfs/dbraw/zinc/13/01/42/408130142.db2.gz WCWGCLGUEYRVOT-YQQAZPJKSA-N 0 1 317.433 1.179 10 0 DDAEMN CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)nn1 ZINC000189919606 408135328 /nfs/dbraw/zinc/13/53/28/408135328.db2.gz MILNJZLXKQLQJB-NSHDSACASA-N 0 1 303.370 1.519 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](C3CC3)C2)C1 ZINC000263462160 408147199 /nfs/dbraw/zinc/14/71/99/408147199.db2.gz JATWDXDSYTZZSE-IYXRBSQSSA-N 0 1 309.410 1.365 10 0 DDAEMN CC(C)C[C@H](C)OCCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246201406 408176610 /nfs/dbraw/zinc/17/66/10/408176610.db2.gz RAQODWJNCDKXOQ-JYJNAYRXSA-N 0 1 314.470 1.741 10 0 DDAEMN CCC[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(=O)[O-] ZINC000263572213 408177863 /nfs/dbraw/zinc/17/78/63/408177863.db2.gz KPZJBKGJXTYEBN-GJZGRUSLSA-N 0 1 321.421 1.248 10 0 DDAEMN CCOCCN1CCN(Cc2nsc(N(C)C)n2)C[C@H]1C ZINC000246365161 408235053 /nfs/dbraw/zinc/23/50/53/408235053.db2.gz GXHQYJYVLYHIGA-GFCCVEGCSA-N 0 1 313.471 1.147 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151231106 408279633 /nfs/dbraw/zinc/27/96/33/408279633.db2.gz KPQWPSNHZAXIKT-WBVHZDCISA-N 0 1 320.437 1.987 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246927127 408366485 /nfs/dbraw/zinc/36/64/85/408366485.db2.gz JHXGRGKPBRSUAA-GVDBMIGSSA-N 0 1 323.481 1.573 10 0 DDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)NCCC(C)C)CCO2)n[nH]1 ZINC000173353901 162334616 /nfs/dbraw/zinc/33/46/16/162334616.db2.gz XUTUYAZAVFUBFM-WCQYABFASA-N 0 1 309.414 1.037 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C(C)(C)c3ccccc3)CCO2)n[nH]1 ZINC000173522479 162344621 /nfs/dbraw/zinc/34/46/21/162344621.db2.gz YHTNXFZRXUFOHK-CQSZACIVSA-N 0 1 314.389 1.991 10 0 DDAEMN Cc1noc(C)c1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000174005638 162385669 /nfs/dbraw/zinc/38/56/69/162385669.db2.gz ILQNODRWQKAOKB-CABZTGNLSA-N 0 1 301.412 1.298 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247095210 408405073 /nfs/dbraw/zinc/40/50/73/408405073.db2.gz HWSUKWYOTOVNFC-ARFHVFGLSA-N 0 1 311.470 1.164 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000159669326 408425398 /nfs/dbraw/zinc/42/53/98/408425398.db2.gz RYTXZPZORJEXHW-JOYOIKCWSA-N 0 1 315.211 1.470 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000247227247 408434338 /nfs/dbraw/zinc/43/43/38/408434338.db2.gz WPLYZDOZRZMHJR-ZIAGYGMSSA-N 0 1 324.331 1.498 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)C(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000247242654 408436374 /nfs/dbraw/zinc/43/63/74/408436374.db2.gz XZUXDJWJCUCOCK-RISCZKNCSA-N 0 1 315.377 1.514 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000248433164 408566094 /nfs/dbraw/zinc/56/60/94/408566094.db2.gz QQARRVRHUZBORR-HUUCEWRRSA-N 0 1 308.426 1.968 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177282395 408569916 /nfs/dbraw/zinc/56/99/16/408569916.db2.gz NGCOCKVRTSKZJY-HRCADAONSA-N 0 1 311.470 1.334 10 0 DDAEMN CCOC[C@H](NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1)C(C)C ZINC000248972037 408670509 /nfs/dbraw/zinc/67/05/09/408670509.db2.gz SMKHGKHXJHRGPO-ZNMIVQPWSA-N 0 1 315.458 1.144 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1CCC(=O)Nc1ccccc1Cl ZINC000189309688 163094534 /nfs/dbraw/zinc/09/45/34/163094534.db2.gz SKNMYRJXRXLADI-LLVKDONJSA-N 0 1 309.797 1.879 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC000262702279 163867373 /nfs/dbraw/zinc/86/73/73/163867373.db2.gz IKENGXNIWXEVEK-UHFFFAOYSA-N 0 1 316.348 1.476 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000345025102 409598281 /nfs/dbraw/zinc/59/82/81/409598281.db2.gz YIBKUORPYMXELB-MFKMUULPSA-N 0 1 318.381 1.264 10 0 DDAEMN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000128723757 195986522 /nfs/dbraw/zinc/98/65/22/195986522.db2.gz WQDBEBKZUBLUGH-ZDUSSCGKSA-N 0 1 324.446 1.429 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3ccc(OC)c(O)c3)CCO2)n[nH]1 ZINC000129173228 196025918 /nfs/dbraw/zinc/02/59/18/196025918.db2.gz RSLYVGUBYAVUDL-AWEZNQCLSA-N 0 1 318.377 1.655 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000194648692 418546350 /nfs/dbraw/zinc/54/63/50/418546350.db2.gz SUGAHPWPFWPHJX-OAHLLOKOSA-N 0 1 313.405 1.541 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000583616922 422201366 /nfs/dbraw/zinc/20/13/66/422201366.db2.gz ZZLSMLOZJRFNDU-NSHDSACASA-N 0 1 314.271 1.102 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2noc3c2CCCC3)C1 ZINC000583619103 422204649 /nfs/dbraw/zinc/20/46/49/422204649.db2.gz DTSQBOXDKQMNKC-RISCZKNCSA-N 0 1 317.393 1.942 10 0 DDAEMN CN1CCO[C@H](CNCc2ccncc2Br)C1 ZINC000631065915 422502233 /nfs/dbraw/zinc/50/22/33/422502233.db2.gz WRPVIZDXXUICLF-LLVKDONJSA-N 0 1 300.200 1.264 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1ccc(O)cc1 ZINC000049560752 279133540 /nfs/dbraw/zinc/13/35/40/279133540.db2.gz GZARFDDQAHHAEI-GFCCVEGCSA-N 0 1 300.424 1.647 10 0 DDAEMN CCc1noc([C@@H](C)N2CCN(CCC(=O)N(C)CC)CC2)n1 ZINC000130352961 281377708 /nfs/dbraw/zinc/37/77/08/281377708.db2.gz VWCSFZPGFGVQIY-CYBMUJFWSA-N 0 1 323.441 1.179 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000155101446 288374420 /nfs/dbraw/zinc/37/44/20/288374420.db2.gz UZPUTILGGQGEJC-ZIAGYGMSSA-N 0 1 318.421 1.083 10 0 DDAEMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCC1 ZINC000309918251 484379844 /nfs/dbraw/zinc/37/98/44/484379844.db2.gz VASLYLGMUTWUQF-CYBMUJFWSA-N 0 1 304.390 1.878 10 0 DDAEMN CC(C)Oc1ccccc1CN1CCC([C@H](O)C(N)=O)CC1 ZINC000299746071 528250417 /nfs/dbraw/zinc/25/04/17/528250417.db2.gz VCYKQERJALCTDA-INIZCTEOSA-N 0 1 306.406 1.532 10 0 DDAEMN CC[N@@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000122750042 696724765 /nfs/dbraw/zinc/72/47/65/696724765.db2.gz WFGVSJLKTGCREP-AWEZNQCLSA-N 0 1 310.419 1.507 10 0 DDAEMN CC[N@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000122750042 696724769 /nfs/dbraw/zinc/72/47/69/696724769.db2.gz WFGVSJLKTGCREP-AWEZNQCLSA-N 0 1 310.419 1.507 10 0 DDAEMN CCn1c(C)nn(CN2CCN(CCOC)[C@H](C)C2)c1=S ZINC000117322453 696670619 /nfs/dbraw/zinc/67/06/19/696670619.db2.gz RFFOURHFGCZOHT-GFCCVEGCSA-N 0 1 313.471 1.352 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000262352865 698466070 /nfs/dbraw/zinc/46/60/70/698466070.db2.gz JIAQBSXAZRLUEI-NFAWXSAZSA-N 0 1 321.421 1.208 10 0 DDAEMN COC[C@H](N)C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000262393577 698467907 /nfs/dbraw/zinc/46/79/07/698467907.db2.gz OLCORKQMRJOHNR-LSDHHAIUSA-N 0 1 320.368 1.081 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000262402086 698467920 /nfs/dbraw/zinc/46/79/20/698467920.db2.gz ZWDPRDDIKCRUNZ-JSGCOSHPSA-N 0 1 324.421 1.881 10 0 DDAEMN CC(C)C(CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1)C(C)C ZINC000263528662 698512323 /nfs/dbraw/zinc/51/23/23/698512323.db2.gz VIYRRWFHPCNDHB-AWEZNQCLSA-N 0 1 300.443 1.632 10 0 DDAEMN CC(C)C(C[N@@H+]1CCO[C@@H](CN(C)CC(=O)[O-])C1)C(C)C ZINC000263528662 698512324 /nfs/dbraw/zinc/51/23/24/698512324.db2.gz VIYRRWFHPCNDHB-AWEZNQCLSA-N 0 1 300.443 1.632 10 0 DDAEMN CC(C)C(C[N@H+]1CCO[C@@H](CN(C)CC(=O)[O-])C1)C(C)C ZINC000263528662 698512326 /nfs/dbraw/zinc/51/23/26/698512326.db2.gz VIYRRWFHPCNDHB-AWEZNQCLSA-N 0 1 300.443 1.632 10 0 DDAEMN O=C(CC(F)(F)C(F)(F)F)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000713191925 699265052 /nfs/dbraw/zinc/26/50/52/699265052.db2.gz CFPUWYKCMKSDLY-HTQZYQBOSA-N 0 1 302.243 1.163 10 0 DDAEMN COc1nsc(CNC2CC(C(N)=O)C2)c1Br ZINC000716729834 699284029 /nfs/dbraw/zinc/28/40/29/699284029.db2.gz BYWLDRZYEYTWRD-UHFFFAOYSA-N 0 1 320.212 1.268 10 0 DDAEMN Cc1nc(CN[C@H]2CCOC[C@H]2O)sc1Br ZINC000719258830 699299812 /nfs/dbraw/zinc/29/98/12/699299812.db2.gz MCRGLNQSLYXUPX-JGVFFNPUSA-N 0 1 307.213 1.453 10 0 DDAEMN Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2cccc(F)c2F)n[nH]1 ZINC000888093803 709211043 /nfs/dbraw/zinc/21/10/43/709211043.db2.gz UEBWMIIRYYJRLB-ZANVPECISA-N 0 1 322.315 1.899 10 0 DDAEMN C[S@](=N)(=O)c1ccc(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000910486727 709968648 /nfs/dbraw/zinc/96/86/48/709968648.db2.gz PJJYOJONGZWHMP-OQQHHNTDSA-N 0 1 323.418 1.524 10 0 DDAEMN Clc1nc2[nH]cnc2c(N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000892378636 710426353 /nfs/dbraw/zinc/42/63/53/710426353.db2.gz IXIQZYMAJWQVAV-VIFPVBQESA-N 0 1 319.756 1.108 10 0 DDAEMN COc1ccc([C@@H]([NH3+])CSc2nccc(=O)[n-]2)cc1OC ZINC000081775559 192322213 /nfs/dbraw/zinc/32/22/13/192322213.db2.gz RTKOCCKYPBNHQW-JTQLQIEISA-N 0 1 307.375 1.992 10 0 DDAEMN CCCCOC[C@H](O)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000248659038 282096934 /nfs/dbraw/zinc/09/69/34/282096934.db2.gz UTYARXYJXDRKSB-ILXRZTDVSA-N 0 1 321.483 1.452 10 0 DDAEMN C[C@H](CS(C)(=O)=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000081901509 192336034 /nfs/dbraw/zinc/33/60/34/192336034.db2.gz PGXVDLLEGGHQRT-GHMZBOCLSA-N 0 1 319.448 1.174 10 0 DDAEMN CNc1ncc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl ZINC000087546602 185227885 /nfs/dbraw/zinc/22/78/85/185227885.db2.gz QXPHVDIZBNQLBI-UHFFFAOYSA-N 0 1 315.786 1.021 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc2c(c1)CCCN2 ZINC000087545770 185228163 /nfs/dbraw/zinc/22/81/63/185228163.db2.gz BNMGFBMYDGUZER-UHFFFAOYSA-N 0 1 306.391 1.289 10 0 DDAEMN O=C(C[C@H]1CCCCNC1=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000328790302 231345268 /nfs/dbraw/zinc/34/52/68/231345268.db2.gz QEYNAWOYVVAHDO-LSDHHAIUSA-N 0 1 323.437 1.314 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC(=O)OC)c1ccc(CC)cc1 ZINC000081976407 192347502 /nfs/dbraw/zinc/34/75/02/192347502.db2.gz PKJVYXGNECEPMT-CQSZACIVSA-N 0 1 313.419 1.487 10 0 DDAEMN CCc1ccc([C@H](N)[C@H](C)S(=O)(=O)CCC(=O)OC)cc1 ZINC000081974658 192347954 /nfs/dbraw/zinc/34/79/54/192347954.db2.gz DUMIZHHBSFHBRD-XHDPSFHLSA-N 0 1 313.419 1.615 10 0 DDAEMN CCc1ccc([C@@H](N)[C@@H](C)S(=O)(=O)CCC(=O)OC)cc1 ZINC000081974656 192348512 /nfs/dbraw/zinc/34/85/12/192348512.db2.gz DUMIZHHBSFHBRD-ABAIWWIYSA-N 0 1 313.419 1.615 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)o1 ZINC000088543527 185256943 /nfs/dbraw/zinc/25/69/43/185256943.db2.gz HWIZIFNIZNHDJV-NSHDSACASA-N 0 1 302.396 1.187 10 0 DDAEMN CC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(CNC)o2)CC1 ZINC000088544475 185257159 /nfs/dbraw/zinc/25/71/59/185257159.db2.gz BSHZMVDTMSIHEZ-GFCCVEGCSA-N 0 1 315.439 1.104 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000088895195 185270247 /nfs/dbraw/zinc/27/02/47/185270247.db2.gz INNPINPKRMQVFU-UHFFFAOYSA-N 0 1 318.414 1.280 10 0 DDAEMN CN[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989687 192350868 /nfs/dbraw/zinc/35/08/68/192350868.db2.gz YSQFLPSWARGAAT-HOTGVXAUSA-N 0 1 309.431 1.856 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccccc2C(N)=S)ccn1 ZINC000092350171 185313545 /nfs/dbraw/zinc/31/35/45/185313545.db2.gz VWSJUQVPHDMMPW-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN C[C@@H]1CNC[C@@H](C)N1S(=O)(=O)c1cccc(Cl)c1F ZINC000069133909 190800938 /nfs/dbraw/zinc/80/09/38/190800938.db2.gz NKJBLAGICIRPHX-RKDXNWHRSA-N 0 1 306.790 1.850 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CC2CC2)CC1 ZINC000083750051 192381389 /nfs/dbraw/zinc/38/13/89/192381389.db2.gz FJBMIFUSELFDEL-AWEZNQCLSA-N 0 1 318.425 1.159 10 0 DDAEMN CCOc1ccc2nc([C@@H](C)N3CCN(C=O)CC3)[nH]c2c1 ZINC000071675517 191005095 /nfs/dbraw/zinc/00/50/95/191005095.db2.gz YVBFKNWPQLJIEQ-GFCCVEGCSA-N 0 1 302.378 1.797 10 0 DDAEMN CCc1nnc(CN2CCC3(C[C@H](C(=O)[O-])[N@@H+](C)C3)CC2)o1 ZINC000072127471 191042663 /nfs/dbraw/zinc/04/26/63/191042663.db2.gz QIHAZPDTPSSLTD-LLVKDONJSA-N 0 1 308.382 1.003 10 0 DDAEMN O[C@@H]1COCC[C@@H]1NCc1ccc(Br)c(F)c1F ZINC000623768052 366047132 /nfs/dbraw/zinc/04/71/32/366047132.db2.gz IXJUEDBWCYAGFD-VHSXEESVSA-N 0 1 322.149 1.967 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3sccc3OC)CCO2)n[nH]1 ZINC000173576413 198228947 /nfs/dbraw/zinc/22/89/47/198228947.db2.gz IONWZUCPYFGJGZ-SNVBAGLBSA-N 0 1 322.390 1.651 10 0 DDAEMN COC(=O)c1ccc(O)c(C(=O)N2CCC(C(=O)OC)CC2)c1 ZINC000149976812 354175074 /nfs/dbraw/zinc/17/50/74/354175074.db2.gz HBMSBEGRTICOFH-UHFFFAOYSA-N 0 1 321.329 1.204 10 0 DDAEMN CCc1ccc([C@H](C)NCC(=O)N[C@H](C)C(=O)N(C)C)cc1 ZINC000154940451 354209456 /nfs/dbraw/zinc/20/94/56/354209456.db2.gz WGNWJNQXYPCDCA-QWHCGFSZSA-N 0 1 305.422 1.493 10 0 DDAEMN Cc1ccc2n[nH]c(C(=O)N3CCc4c(ncn(C)c4=O)C3)c2c1 ZINC000328635476 354555183 /nfs/dbraw/zinc/55/51/83/354555183.db2.gz UVNOSSKGDOJOSB-UHFFFAOYSA-N 0 1 323.356 1.164 10 0 DDAEMN O=C(NCc1nnc([C@@H]2CCC[NH2+]2)[n-]1)OCc1ccccc1 ZINC000536951470 354692766 /nfs/dbraw/zinc/69/27/66/354692766.db2.gz RABHGQLXTDIEBC-LBPRGKRZSA-N 0 1 301.350 1.656 10 0 DDAEMN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000236819153 202024948 /nfs/dbraw/zinc/02/49/48/202024948.db2.gz GYHZQVJAPRXDDX-UHFFFAOYSA-N 0 1 310.341 1.900 10 0 DDAEMN COc1ccc(S(=O)(=O)Nc2cccc3n[nH]nc32)cc1 ZINC000074852916 191371974 /nfs/dbraw/zinc/37/19/74/191371974.db2.gz VFRPYFFSSVVRJH-UHFFFAOYSA-N 0 1 304.331 1.767 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@H](c2ccccc2C(F)(F)F)NC1 ZINC000080100914 192000421 /nfs/dbraw/zinc/00/04/21/192000421.db2.gz QUDIMBZVDIOUPK-GZMMTYOYSA-N 0 1 308.325 1.787 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCc1cn[nH]c1C ZINC000081528727 192283993 /nfs/dbraw/zinc/28/39/93/192283993.db2.gz VXWPYAMARXGKSY-CYBMUJFWSA-N 0 1 317.397 1.385 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccncc2C)CCN1C[C@@H](C)O ZINC000188307796 200224967 /nfs/dbraw/zinc/22/49/67/200224967.db2.gz KKTQCVAOIXNGJX-ZBFHGGJFSA-N 0 1 320.437 1.377 10 0 DDAEMN COCCNCc1nc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000091996607 193138005 /nfs/dbraw/zinc/13/80/05/193138005.db2.gz DQDJYCIQYGDNFN-GFCCVEGCSA-N 0 1 308.300 1.428 10 0 DDAEMN C[C@H](NCC(C)(C)S(C)(=O)=O)C(=O)N1CCCCCC1 ZINC000093519877 193262974 /nfs/dbraw/zinc/26/29/74/193262974.db2.gz HYATWVLIYQFIFX-LBPRGKRZSA-N 0 1 304.456 1.190 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093615699 193275183 /nfs/dbraw/zinc/27/51/83/193275183.db2.gz KXMXWIFITNDSBK-BXKDBHETSA-N 0 1 305.300 1.963 10 0 DDAEMN CCNCc1nc(C(C)C)ncc1N(C)CCS(C)(=O)=O ZINC000094300760 193358227 /nfs/dbraw/zinc/35/82/27/193358227.db2.gz NDMIPPKXSNFXLY-UHFFFAOYSA-N 0 1 314.455 1.190 10 0 DDAEMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(N)cc(F)c1C ZINC000094359213 193364844 /nfs/dbraw/zinc/36/48/44/193364844.db2.gz MPRQDMFAOUNXJW-GFCCVEGCSA-N 0 1 315.414 1.479 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Br)cc1N ZINC000094046426 193341986 /nfs/dbraw/zinc/34/19/86/193341986.db2.gz RMFNCRACDPGMIA-UHFFFAOYSA-N 0 1 310.155 1.422 10 0 DDAEMN C[N@H+]1CCN(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)CC1(C)C ZINC000094227031 193351474 /nfs/dbraw/zinc/35/14/74/193351474.db2.gz HHPHAOGFALVNLJ-LLVKDONJSA-N 0 1 311.304 1.128 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1N ZINC000094457212 193371319 /nfs/dbraw/zinc/37/13/19/193371319.db2.gz IKZJPAVQTKZQET-GHMZBOCLSA-N 0 1 313.398 1.265 10 0 DDAEMN CN[C@H](c1cscc1Br)[C@@H]1CN2CCN1CC2 ZINC000094509050 193375150 /nfs/dbraw/zinc/37/51/50/193375150.db2.gz NVUXZNKOJUFAKN-NWDGAFQWSA-N 0 1 316.268 1.771 10 0 DDAEMN CCS(=O)(=O)c1ccc(NC(=O)c2ccc(CN)o2)cc1 ZINC000094566259 193380999 /nfs/dbraw/zinc/38/09/99/193380999.db2.gz VJAVCYHDWJFZPI-UHFFFAOYSA-N 0 1 308.359 1.784 10 0 DDAEMN CN1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2NN)C1 ZINC000094599467 193383278 /nfs/dbraw/zinc/38/32/78/193383278.db2.gz HYKOCGASESKBLB-QMMMGPOBSA-N 0 1 302.300 1.425 10 0 DDAEMN CC1CCN(CCNS(=O)(=O)c2cc(N)ccc2F)CC1 ZINC000040771158 183131271 /nfs/dbraw/zinc/13/12/71/183131271.db2.gz ISTLIQCZSKBFRU-UHFFFAOYSA-N 0 1 315.414 1.418 10 0 DDAEMN CCOC(=O)[C@H](NCC[NH+](C)C)c1ccc([O-])c(Cl)c1 ZINC000043489527 183366547 /nfs/dbraw/zinc/36/65/47/183366547.db2.gz IGHHOJHYGKONCG-CYBMUJFWSA-N 0 1 300.786 1.801 10 0 DDAEMN CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593121 183374490 /nfs/dbraw/zinc/37/44/90/183374490.db2.gz ULJNVXCBSHFSJV-GFCCVEGCSA-N 0 1 303.403 1.272 10 0 DDAEMN O=C(NCc1cc(Br)ccc1F)[C@H]1CNCCO1 ZINC000043801200 183386068 /nfs/dbraw/zinc/38/60/68/183386068.db2.gz DYZWCCCYBXBJMO-LLVKDONJSA-N 0 1 317.158 1.193 10 0 DDAEMN CC(=O)N1CCC(CNC(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000105312900 194095236 /nfs/dbraw/zinc/09/52/36/194095236.db2.gz GJRXVYYLJVHUKC-INIZCTEOSA-N 0 1 322.453 1.125 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)NCCC(C)C)CCN1CCOC ZINC000105836727 194142577 /nfs/dbraw/zinc/14/25/77/194142577.db2.gz NEMIDDYSMVUDKM-JKSUJKDBSA-N 0 1 313.486 1.580 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000105932672 194173591 /nfs/dbraw/zinc/17/35/91/194173591.db2.gz OYEUFIYSTURNMB-SMDDNHRTSA-N 0 1 311.813 1.587 10 0 DDAEMN O=c1nc(C[N@@H+]2CCC[C@H](n3cncn3)C2)[n-]c2ccsc21 ZINC000106219405 194191278 /nfs/dbraw/zinc/19/12/78/194191278.db2.gz TVDAHXQOKLEQJL-JTQLQIEISA-N 0 1 316.390 1.413 10 0 DDAEMN O=c1nc(C[N@H+]2CCC[C@H](n3cncn3)C2)[n-]c2ccsc21 ZINC000106219405 194191279 /nfs/dbraw/zinc/19/12/79/194191279.db2.gz TVDAHXQOKLEQJL-JTQLQIEISA-N 0 1 316.390 1.413 10 0 DDAEMN Cc1ccc(NC(=O)N2CCN([C@@H](C)C(N)=S)CC2)cc1 ZINC000109466508 194266471 /nfs/dbraw/zinc/26/64/71/194266471.db2.gz UAJGGRMVLPFXLY-LBPRGKRZSA-N 0 1 306.435 1.819 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2cnc3ccccc3n2)CC1 ZINC000109471294 194266838 /nfs/dbraw/zinc/26/68/38/194266838.db2.gz PLGROKPDGHIFQH-NSHDSACASA-N 0 1 301.419 1.426 10 0 DDAEMN CCCOCCC(=O)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000109466070 194266886 /nfs/dbraw/zinc/26/68/86/194266886.db2.gz YRIHMRKRBCMYSM-UHFFFAOYSA-N 0 1 301.456 1.012 10 0 DDAEMN C[C@H](NC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1)c1ccsc1 ZINC000061370295 184169795 /nfs/dbraw/zinc/16/97/95/184169795.db2.gz SNZPCIDGEVDAHN-NSHDSACASA-N 0 1 311.407 1.611 10 0 DDAEMN CC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752813 184252576 /nfs/dbraw/zinc/25/25/76/184252576.db2.gz WHZOIOIZUJIMMN-UMSGYPCISA-N 0 1 303.424 1.385 10 0 DDAEMN Nc1cn[nH]c1C(=O)NCc1ccccc1OC(F)(F)F ZINC000062811246 184253503 /nfs/dbraw/zinc/25/35/03/184253503.db2.gz YEZFQRDKJBYAFC-UHFFFAOYSA-N 0 1 300.240 1.821 10 0 DDAEMN COCCN(C)CC[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000062702880 184248086 /nfs/dbraw/zinc/24/80/86/184248086.db2.gz KVJZLWPVDMLIQZ-UHFFFAOYSA-N 0 1 317.227 1.823 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(C)c2ccccc2)CC1 ZINC000118856635 194936830 /nfs/dbraw/zinc/93/68/30/194936830.db2.gz HGPXXPJSZQTTAT-INIZCTEOSA-N 0 1 305.422 1.038 10 0 DDAEMN CC(=O)N1CCC[C@@]2(C(=O)[O-])C[N@@H+](Cc3ccoc3)C[C@H]2C1 ZINC000247916950 257115139 /nfs/dbraw/zinc/11/51/39/257115139.db2.gz FZUURDHZJNGOIP-GOEBONIOSA-N 0 1 306.362 1.425 10 0 DDAEMN O=C([C@@H]1CC[C@H]2[C@H](CCN2Cc2ccoc2)O1)N1CCCO1 ZINC000247758441 257117838 /nfs/dbraw/zinc/11/78/38/257117838.db2.gz FUDCTYBKTWIEBH-KKUMJFAQSA-N 0 1 306.362 1.565 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1)N1CCCC1 ZINC000247759120 257118392 /nfs/dbraw/zinc/11/83/92/257118392.db2.gz GFNHUCSDAQMUSF-PMPSAXMXSA-N 0 1 304.390 1.881 10 0 DDAEMN CCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1 ZINC000035421936 406971850 /nfs/dbraw/zinc/97/18/50/406971850.db2.gz UYHXLUKKWPPUOY-UHFFFAOYSA-N 0 1 317.433 1.669 10 0 DDAEMN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)N(C)C ZINC000036817571 406983833 /nfs/dbraw/zinc/98/38/33/406983833.db2.gz RIKZVDIXDWSCFX-UHFFFAOYSA-N 0 1 306.409 1.706 10 0 DDAEMN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195247720 407444017 /nfs/dbraw/zinc/44/40/17/407444017.db2.gz MUWXZTFQYUOBJO-CVEARBPZSA-N 0 1 321.465 1.864 10 0 DDAEMN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195247708 407444940 /nfs/dbraw/zinc/44/49/40/407444940.db2.gz MUWXZTFQYUOBJO-HZPDHXFCSA-N 0 1 321.465 1.864 10 0 DDAEMN Cn1c(CN[C@H](CC(N)=O)C2CCCCC2)nnc1C1CC1 ZINC000181987479 306701469 /nfs/dbraw/zinc/70/14/69/306701469.db2.gz SIQSNNRSPUZBLI-CYBMUJFWSA-N 0 1 305.426 1.606 10 0 DDAEMN COC(=O)[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000171186134 407619396 /nfs/dbraw/zinc/61/93/96/407619396.db2.gz NNHSLTBNOZEYML-BDAKNGLRSA-N 0 1 320.736 1.873 10 0 DDAEMN CC(C)[C@@H]1OC(NS(=O)(=O)c2ccc(Cl)cc2)=NC1=O ZINC000227173853 407629097 /nfs/dbraw/zinc/62/90/97/407629097.db2.gz DDLYBCSWHZRZHA-JTQLQIEISA-N 0 1 316.766 1.556 10 0 DDAEMN CSCCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000186172725 407594825 /nfs/dbraw/zinc/59/48/25/407594825.db2.gz KMSVPTGMEGWYNK-UONOGXRCSA-N 0 1 317.499 1.616 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(Cc2cccc3c2NCC3)CCN1C ZINC000262000868 407708631 /nfs/dbraw/zinc/70/86/31/407708631.db2.gz UBLBKRPTKVFXIS-INIZCTEOSA-N 0 1 311.433 1.877 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000262198034 407762038 /nfs/dbraw/zinc/76/20/38/407762038.db2.gz CVOUCQQMMXZHBG-CHWSQXEVSA-N 0 1 314.332 1.755 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000262191076 407763996 /nfs/dbraw/zinc/76/39/96/407763996.db2.gz CHTRYIHHZFBANZ-ZDUSSCGKSA-N 0 1 305.378 1.143 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1CC ZINC000116769260 407771978 /nfs/dbraw/zinc/77/19/78/407771978.db2.gz UGPHOHZTNMYVLK-AWEZNQCLSA-N 0 1 321.421 1.256 10 0 DDAEMN CC[C@H]1CN(C(=O)C2(CCOC)CCC2)CCN1C[C@@H](C)O ZINC000132434537 407786384 /nfs/dbraw/zinc/78/63/84/407786384.db2.gz FLYIOPHRUHJSDL-CABCVRRESA-N 0 1 312.454 1.497 10 0 DDAEMN COCCN(Cc1ccc(C)o1)C[C@@H](O)CN1CCCC1=O ZINC000132706009 407802213 /nfs/dbraw/zinc/80/22/13/407802213.db2.gz YESQNJCTVBGWNC-CQSZACIVSA-N 0 1 310.394 1.020 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2ccccc2O)C[C@H]1CC ZINC000116977339 407804825 /nfs/dbraw/zinc/80/48/25/407804825.db2.gz AQBATEROKHOWON-MRXNPFEDSA-N 0 1 320.433 1.894 10 0 DDAEMN CSC[C@@H](CCO)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000132974149 407812161 /nfs/dbraw/zinc/81/21/61/407812161.db2.gz AZKJKWVUBJFPME-CABCVRRESA-N 0 1 310.463 1.390 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000262374521 407817077 /nfs/dbraw/zinc/81/70/77/407817077.db2.gz WZVHDDMDTIDCFK-QMTHXVAHSA-N 0 1 320.393 1.121 10 0 DDAEMN COC[C@@H](N)C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000262396569 407823611 /nfs/dbraw/zinc/82/36/11/407823611.db2.gz ZHEWLHSGODNJHE-OAHLLOKOSA-N 0 1 306.406 1.133 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2cccnc2)CCN1CCOC ZINC000117475063 407837393 /nfs/dbraw/zinc/83/73/93/407837393.db2.gz NFQXEAIFPCPMKP-INIZCTEOSA-N 0 1 320.437 1.376 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCCOC)CCN1CCOC ZINC000117478563 407840330 /nfs/dbraw/zinc/84/03/30/407840330.db2.gz MLWXSWOUNHKNPX-AWEZNQCLSA-N 0 1 301.431 1.165 10 0 DDAEMN COC(=O)C1(N(C)C[C@@H](O)COCc2ccccc2)CCCC1 ZINC000133495445 407852165 /nfs/dbraw/zinc/85/21/65/407852165.db2.gz DVQDFUHSSZKWTL-MRXNPFEDSA-N 0 1 321.417 1.982 10 0 DDAEMN CCC1(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)CCCC1 ZINC000262840955 407952804 /nfs/dbraw/zinc/95/28/04/407952804.db2.gz IWHMKANCIVUDKR-ZDUSSCGKSA-N 0 1 312.410 1.201 10 0 DDAEMN CCC1(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)CCCC1 ZINC000262840952 407953499 /nfs/dbraw/zinc/95/34/99/407953499.db2.gz IWHMKANCIVUDKR-CYBMUJFWSA-N 0 1 312.410 1.201 10 0 DDAEMN O=C(N[C@H]1CCCn2ncnc21)c1[nH]nc2c1CCCCC2 ZINC000188142246 407920591 /nfs/dbraw/zinc/92/05/91/407920591.db2.gz YECGAHABKNETBO-LBPRGKRZSA-N 0 1 300.366 1.535 10 0 DDAEMN CCSCCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000119276906 408030777 /nfs/dbraw/zinc/03/07/77/408030777.db2.gz WAHZCUWWWGEXLP-INIZCTEOSA-N 0 1 324.490 1.797 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccnc(Cl)c3)CCO2)n[nH]1 ZINC000181851794 408048389 /nfs/dbraw/zinc/04/83/89/408048389.db2.gz JFBIREQYSUJNFS-JTQLQIEISA-N 0 1 322.756 1.767 10 0 DDAEMN CCc1noc([C@@H](C)N2CCN(CC[C@H]3CCCO3)CC2)n1 ZINC000189189645 408003215 /nfs/dbraw/zinc/00/32/15/408003215.db2.gz LJLZSXKPKFXNLT-ZIAGYGMSSA-N 0 1 308.426 1.880 10 0 DDAEMN CCN(C)[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189445844 408020155 /nfs/dbraw/zinc/02/01/55/408020155.db2.gz FQQDXPQRPGHWSH-MRXNPFEDSA-N 0 1 315.417 1.416 10 0 DDAEMN COC[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000246040223 408126040 /nfs/dbraw/zinc/12/60/40/408126040.db2.gz NTEXDNGEGUBCTA-SWLSCSKDSA-N 0 1 300.349 1.573 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccncc3C)CCO2)n[nH]1 ZINC000121368605 408193700 /nfs/dbraw/zinc/19/37/00/408193700.db2.gz HXTQAIDVWPXTHC-GFCCVEGCSA-N 0 1 316.365 1.676 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2nc(C)sc2C)C1 ZINC000263440685 408140143 /nfs/dbraw/zinc/14/01/43/408140143.db2.gz PRAOVTJVGPUURJ-UHFFFAOYSA-N 0 1 311.407 1.427 10 0 DDAEMN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(O)c(Cl)c2)n1 ZINC000121070868 408152806 /nfs/dbraw/zinc/15/28/06/408152806.db2.gz DWEDPMMNMXMYJA-NSHDSACASA-N 0 1 323.736 1.951 10 0 DDAEMN CC[C@@H]1CC[C@@H](C)N1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263486860 408154606 /nfs/dbraw/zinc/15/46/06/408154606.db2.gz PQLGDSCEVAZCOV-NELGMTEASA-N 0 1 311.426 1.896 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCC[C@H](C)C2)C1 ZINC000263513269 408161027 /nfs/dbraw/zinc/16/10/27/408161027.db2.gz ZORIKWXUJLORKQ-HSBZDZAISA-N 0 1 311.426 1.756 10 0 DDAEMN O=C([C@@H]1CCCN1c1nccs1)N1CCN2CCCC[C@H]2C1 ZINC000246383094 408237531 /nfs/dbraw/zinc/23/75/31/408237531.db2.gz HRYSJORTLIXLGS-KBPBESRZSA-N 0 1 320.462 1.809 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCOCC(F)F)CCN1CCOC ZINC000190289154 408214533 /nfs/dbraw/zinc/21/45/33/408214533.db2.gz YSXXOXOTCRYSSQ-LBPRGKRZSA-N 0 1 323.384 1.020 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000246373575 408233160 /nfs/dbraw/zinc/23/31/60/408233160.db2.gz HOBBDJWKCVMDGE-VQHPVUNQSA-N 0 1 323.481 1.428 10 0 DDAEMN C[C@@H](C(=O)Nc1ccccc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246480016 408266950 /nfs/dbraw/zinc/26/69/50/408266950.db2.gz OPPPZPYXPXJEGH-HLLBOEOZSA-N 0 1 317.433 1.666 10 0 DDAEMN C[C@@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000246478174 408267281 /nfs/dbraw/zinc/26/72/81/408267281.db2.gz ONFXRWUNJSHSIU-NCOADZHNSA-N 0 1 323.481 1.334 10 0 DDAEMN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000182998026 408302682 /nfs/dbraw/zinc/30/26/82/408302682.db2.gz LSGBPBRWPLATSU-JGVFFNPUSA-N 0 1 304.799 1.730 10 0 DDAEMN N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cscn1 ZINC000131616697 162019713 /nfs/dbraw/zinc/01/97/13/162019713.db2.gz ORDVPXVQMYPVRE-CYBMUJFWSA-N 0 1 300.387 1.811 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CCN1C[C@H](C)O ZINC000246790357 408342158 /nfs/dbraw/zinc/34/21/58/408342158.db2.gz JIQXHXCSYCZRBB-JSGCOSHPSA-N 0 1 324.425 1.004 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173528330 162345165 /nfs/dbraw/zinc/34/51/65/162345165.db2.gz SDZWTZPKZXDFLB-CQSZACIVSA-N 0 1 300.362 1.944 10 0 DDAEMN CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000191509259 408436648 /nfs/dbraw/zinc/43/66/48/408436648.db2.gz OHPFZBZTPYWFHU-KRWDZBQOSA-N 0 1 315.417 1.388 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cscc3C)CCO2)n[nH]1 ZINC000176947899 408482764 /nfs/dbraw/zinc/48/27/64/408482764.db2.gz BYEYPNMKAVQGJK-LLVKDONJSA-N 0 1 306.391 1.951 10 0 DDAEMN Cc1cccc2c(=O)c(C(=O)N[C@@H](C)C(=O)N(C)C)c[nH]c12 ZINC000191811607 408495963 /nfs/dbraw/zinc/49/59/63/408495963.db2.gz PPYVNPLHRLVXAS-JTQLQIEISA-N 0 1 301.346 1.455 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CCN(CCOC)[C@H](C)C1 ZINC000177130917 408528300 /nfs/dbraw/zinc/52/83/00/408528300.db2.gz ZYLUVNWSHQAUEZ-CYBMUJFWSA-N 0 1 324.421 1.781 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CCN3CCC[C@@H]3C2)c(F)c1 ZINC000192020821 408529385 /nfs/dbraw/zinc/52/93/85/408529385.db2.gz DZBQAMGWVSGDSF-CQSZACIVSA-N 0 1 312.410 1.744 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(F)cc3c2OCOC3)C[C@H]1C ZINC000247383392 408462403 /nfs/dbraw/zinc/46/24/03/408462403.db2.gz WDWQNBWROMEFRW-OLZOCXBDSA-N 0 1 324.396 1.579 10 0 DDAEMN CCC[C@H](C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)N(C)C ZINC000185020244 408739971 /nfs/dbraw/zinc/73/99/71/408739971.db2.gz WUJFEJMADXUGBI-HUUCEWRRSA-N 0 1 318.421 1.424 10 0 DDAEMN Cc1nc([C@@H]2CN(S(=O)(=O)CC3CCCC3)CCO2)n[nH]1 ZINC000178354345 408811508 /nfs/dbraw/zinc/81/15/08/408811508.db2.gz SDUTUYZPSRZARB-LBPRGKRZSA-N 0 1 314.411 1.006 10 0 DDAEMN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN3CCCC[C@H]3C1)CS2 ZINC000249883440 408769300 /nfs/dbraw/zinc/76/93/00/408769300.db2.gz AQQSERPWEVFKDK-XEZPLFJOSA-N 0 1 323.462 1.137 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000189486292 163103157 /nfs/dbraw/zinc/10/31/57/163103157.db2.gz VXSZJOJXXJGVGU-GFCCVEGCSA-N 0 1 323.360 1.637 10 0 DDAEMN CCS(=O)(=O)CCCCCN1CC[C@H](c2cnn(C)c2)C1 ZINC000190572422 163147522 /nfs/dbraw/zinc/14/75/22/163147522.db2.gz HBBDHZUJHUGEGE-AWEZNQCLSA-N 0 1 313.467 1.814 10 0 DDAEMN CCn1cc(C2CCN([C@@H](C)C(=O)NCCCOC)CC2)cn1 ZINC000195501660 163324531 /nfs/dbraw/zinc/32/45/31/163324531.db2.gz NLPQRGBVVFQIHI-AWEZNQCLSA-N 0 1 322.453 1.624 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190403621 222077667 /nfs/dbraw/zinc/07/76/67/222077667.db2.gz QWJUDLXRBOFSEO-NSHDSACASA-N 0 1 324.450 1.806 10 0 DDAEMN CC(C)n1nnnc1CN1CCN(CCc2ccccc2)CC1 ZINC000195045033 222190715 /nfs/dbraw/zinc/19/07/15/222190715.db2.gz LYHLCVIXOWDPHB-UHFFFAOYSA-N 0 1 314.437 1.614 10 0 DDAEMN CCn1cnnc1C1CCN(c2ccncc2C(N)=O)CC1 ZINC000302015772 230037965 /nfs/dbraw/zinc/03/79/65/230037965.db2.gz FNDKJKBZALSYBT-UHFFFAOYSA-N 0 1 300.366 1.176 10 0 DDAEMN COc1ccccc1OCCN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618012 422200974 /nfs/dbraw/zinc/20/09/74/422200974.db2.gz UDORDPUCTGXLHE-MRXNPFEDSA-N 0 1 318.377 1.176 10 0 DDAEMN COc1cc(C(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)ccc1F ZINC000583617739 422201019 /nfs/dbraw/zinc/20/10/19/422201019.db2.gz LMGNPMWMFLNCDC-HNNXBMFYSA-N 0 1 320.324 1.076 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(Cc2nccn2-c2ccccc2)C1 ZINC000583617473 422202123 /nfs/dbraw/zinc/20/21/23/422202123.db2.gz WWJAFMAUCJQBQM-QGZVFWFLSA-N 0 1 324.388 1.474 10 0 DDAEMN CC(C)COCCN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617968 422203278 /nfs/dbraw/zinc/20/32/78/422203278.db2.gz ONUJEGQGXWKUSW-MRXNPFEDSA-N 0 1 310.442 1.815 10 0 DDAEMN O=c1[nH]cnc(NC2CSC2)c1I ZINC000575550116 422301684 /nfs/dbraw/zinc/30/16/84/422301684.db2.gz OUJVPVLOVZRRCN-UHFFFAOYSA-N 0 1 309.132 1.314 10 0 DDAEMN CO[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)C[C@H]1c1c[nH]nn1 ZINC000664379494 424566547 /nfs/dbraw/zinc/56/65/47/424566547.db2.gz ILHWLKBGWJFQBG-GXSJLCMTSA-N 0 1 322.756 1.499 10 0 DDAEMN CO[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)C[C@H]1c1cnn[nH]1 ZINC000664379494 424566550 /nfs/dbraw/zinc/56/65/50/424566550.db2.gz ILHWLKBGWJFQBG-GXSJLCMTSA-N 0 1 322.756 1.499 10 0 DDAEMN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)COC(C)(C)C)[C@H]2C1 ZINC000158465561 277295844 /nfs/dbraw/zinc/29/58/44/277295844.db2.gz PXHGSMBDBUSTBW-XGUBFFRZSA-N 0 1 301.427 1.431 10 0 DDAEMN CC(=O)NCC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@@H](C)C(=O)[O-] ZINC000263355301 278111142 /nfs/dbraw/zinc/11/11/42/278111142.db2.gz QSCXHTPHQQHNCO-KCQAQPDRSA-N 0 1 314.426 1.493 10 0 DDAEMN C[C@H](c1nn[nH]n1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000032590199 278316745 /nfs/dbraw/zinc/31/67/45/278316745.db2.gz RNQDATQIMFLVSD-HTQZYQBOSA-N 0 1 316.390 1.705 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2cnn3ncccc23)n[nH]1 ZINC000328674611 534556010 /nfs/dbraw/zinc/55/60/10/534556010.db2.gz JZRFJEHDJPYVMX-ZDUSSCGKSA-N 0 1 311.349 1.523 10 0 DDAEMN CCCOC(=O)[C@@H](C)N1CCN(CCOCC)[C@H](CC)C1 ZINC000119176132 696678148 /nfs/dbraw/zinc/67/81/48/696678148.db2.gz GCZIHTXNMZYUNJ-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN COc1ccc([C@H](C)NC[C@H]2CCCS2(=O)=O)cc1OC ZINC000126903319 696766622 /nfs/dbraw/zinc/76/66/22/696766622.db2.gz AQFXKWNGGDEUPO-WCQYABFASA-N 0 1 313.419 1.932 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C)[C@@H](C)C2)C1 ZINC000262953824 698485592 /nfs/dbraw/zinc/48/55/92/698485592.db2.gz BCBGRAHLPGXNLD-FEPKRQSRSA-N 0 1 311.426 1.611 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@]2(C)CC=CCC2)C1 ZINC000263510566 698510916 /nfs/dbraw/zinc/51/09/16/698510916.db2.gz YPLHMJNRJBHYSY-ZUEPYMLJSA-N 0 1 309.410 1.722 10 0 DDAEMN Cc1nc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cs1 ZINC000263528680 698511959 /nfs/dbraw/zinc/51/19/59/698511959.db2.gz VJNWSWFECZYFFP-UHFFFAOYSA-N 0 1 309.435 1.869 10 0 DDAEMN CNC(=O)c1nc(C2CC[NH+]([C@H](C)c3ncc(C)o3)CC2)n[n-]1 ZINC000818242389 702614156 /nfs/dbraw/zinc/61/41/56/702614156.db2.gz HUYFMDQEDKQHSZ-SNVBAGLBSA-N 0 1 318.381 1.401 10 0 DDAEMN CCc1c(C(=O)NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)ccn1C ZINC000888093549 709211222 /nfs/dbraw/zinc/21/12/22/709211222.db2.gz FKTGGGDVVJQOLM-FZMZJTMJSA-N 0 1 317.393 1.522 10 0 DDAEMN CC(C)Oc1cncc(C(=O)N2CCC[C@H]2c2nn[nH]n2)c1 ZINC000900390264 709570148 /nfs/dbraw/zinc/57/01/48/709570148.db2.gz AZLVGUWJPJDJIF-LBPRGKRZSA-N 0 1 302.338 1.359 10 0 DDAEMN CCOC(=O)c1cc(CN2CCCC[C@H]2c2nnc[nH]2)on1 ZINC000895196672 711450478 /nfs/dbraw/zinc/45/04/78/711450478.db2.gz BFEADEPAUASCFW-LBPRGKRZSA-N 0 1 305.338 1.697 10 0 DDAEMN O=S1(=O)CCC[C@H]1CN[C@H](CO)c1ccc(Cl)cc1 ZINC000930509846 713853652 /nfs/dbraw/zinc/85/36/52/713853652.db2.gz NYDXTVHXOGSTOY-QWHCGFSZSA-N 0 1 303.811 1.540 10 0 DDAEMN CC[C@@H]1CN([C@H](C)c2nc(COC)no2)CCN1C[C@@H](C)O ZINC000248461344 282085806 /nfs/dbraw/zinc/08/58/06/282085806.db2.gz OYVKFYZSGMAPHY-JHJVBQTASA-N 0 1 312.414 1.054 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cncc(C)c2)CCN1C[C@H](C)O ZINC000248496997 282087486 /nfs/dbraw/zinc/08/74/86/282087486.db2.gz RBCVSVUCIQCDIF-GOEBONIOSA-N 0 1 320.437 1.377 10 0 DDAEMN CCCS(=O)(=O)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000081939337 192342905 /nfs/dbraw/zinc/34/29/05/192342905.db2.gz MDYYHXUSUKWCHY-ZDUSSCGKSA-N 0 1 313.419 1.933 10 0 DDAEMN CC(C)[N@@H+](C)CCNC(=O)NCCC(C)(C)CCC(=O)[O-] ZINC000087676982 185230610 /nfs/dbraw/zinc/23/06/10/185230610.db2.gz IACCVVAJBMUSDM-UHFFFAOYSA-N 0 1 301.431 1.907 10 0 DDAEMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2C)c1S(N)(=O)=O ZINC000087900886 185236669 /nfs/dbraw/zinc/23/66/69/185236669.db2.gz HAUWZACGVMZLSM-VIFPVBQESA-N 0 1 314.411 1.024 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H](C)[C@@H](N)c1ccc(CC)cc1 ZINC000081977256 192348396 /nfs/dbraw/zinc/34/83/96/192348396.db2.gz BMOAFCJXPZFJBP-XHDPSFHLSA-N 0 1 313.419 1.615 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)CC[C@H]1CCCO1 ZINC000189133948 539253108 /nfs/dbraw/zinc/25/31/08/539253108.db2.gz KETXMZPWEMVEPS-ZIAGYGMSSA-N 0 1 306.472 1.451 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cscn2)CCN1C[C@H](C)O ZINC000248459310 539272014 /nfs/dbraw/zinc/27/20/14/539272014.db2.gz RHEHKQNGMCSCCZ-WCQYABFASA-N 0 1 312.439 1.130 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cccc(CO)c1C ZINC000088895165 185270049 /nfs/dbraw/zinc/27/00/49/185270049.db2.gz FHFDKELEZPEDIO-UHFFFAOYSA-N 0 1 314.451 1.450 10 0 DDAEMN CN[C@H](C[S@](=O)CCCOC)c1cc(OC)ccc1OC ZINC000081998729 192353314 /nfs/dbraw/zinc/35/33/14/192353314.db2.gz JRXBTYGVEGOTPC-SZNDQCEHSA-N 0 1 315.435 1.750 10 0 DDAEMN C[C@@H](O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000092666782 185332771 /nfs/dbraw/zinc/33/27/71/185332771.db2.gz AZBHTXYKJLTSGR-OCCSQVGLSA-N 0 1 312.435 1.455 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccnc1NC ZINC000092672962 185333101 /nfs/dbraw/zinc/33/31/01/185333101.db2.gz BXCVDYLABNKSJA-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN[C@@H]1C(=O)Nc2cc(OCCO)c(Br)cc21 ZINC000092776291 185339814 /nfs/dbraw/zinc/33/98/14/185339814.db2.gz MQUDYVRJUZMXJU-NSHDSACASA-N 0 1 315.167 1.423 10 0 DDAEMN O=C(Nc1cccc(Br)c1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092779562 185340173 /nfs/dbraw/zinc/34/01/73/185340173.db2.gz PPLMSHIHYFMOKH-NSHDSACASA-N 0 1 321.178 1.825 10 0 DDAEMN CC(C)NC(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271343 539569909 /nfs/dbraw/zinc/56/99/09/539569909.db2.gz DKVBIAQUZBLSSZ-JQWIXIFHSA-N 0 1 311.455 1.643 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)N(C)Cc2n[nH]c(C)n2)c1 ZINC000080526957 192165230 /nfs/dbraw/zinc/16/52/30/192165230.db2.gz SWEJZFZPAIVEQX-UHFFFAOYSA-N 0 1 308.363 1.136 10 0 DDAEMN O=C(NCCCc1nc[nH]n1)c1cc(Cl)nnc1Cl ZINC000080567672 192167519 /nfs/dbraw/zinc/16/75/19/192167519.db2.gz MIDONVHCTJURJA-UHFFFAOYSA-N 0 1 301.137 1.264 10 0 DDAEMN Cn1cncc1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000343392026 282654020 /nfs/dbraw/zinc/65/40/20/282654020.db2.gz AGGPXACUSNBHEM-WBVHZDCISA-N 0 1 311.389 1.409 10 0 DDAEMN CN(C)Cc1c(C(=O)NCc2ccccn2)nc2ccccn21 ZINC000071543089 190989780 /nfs/dbraw/zinc/98/97/80/190989780.db2.gz QFDPENSGZKMINC-UHFFFAOYSA-N 0 1 309.373 1.721 10 0 DDAEMN COc1ccc(CN[C@H]2CCOC[C@@H]2O)c(Br)c1 ZINC000623766629 366045229 /nfs/dbraw/zinc/04/52/29/366045229.db2.gz JKTGDJDJZACDNP-STQMWFEESA-N 0 1 316.195 1.697 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)C[C@@H]1C ZINC000174311876 198318474 /nfs/dbraw/zinc/31/84/74/198318474.db2.gz UAELGPWWETVHBE-QWHCGFSZSA-N 0 1 310.825 1.796 10 0 DDAEMN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000220619713 354313968 /nfs/dbraw/zinc/31/39/68/354313968.db2.gz QPSMQJJPKRQFMX-RISCZKNCSA-N 0 1 305.378 1.377 10 0 DDAEMN CCCNc1ncc(S(=O)(=O)NCCN(C)C)cc1Cl ZINC000081680113 192312024 /nfs/dbraw/zinc/31/20/24/192312024.db2.gz HYMXPEMAFGUNBU-UHFFFAOYSA-N 0 1 320.846 1.397 10 0 DDAEMN CCNc1ncc(S(=O)(=O)N(C)CCN(C)C)cc1Cl ZINC000081695817 192314459 /nfs/dbraw/zinc/31/44/59/192314459.db2.gz ZOPWEXFBQPLNIP-UHFFFAOYSA-N 0 1 320.846 1.349 10 0 DDAEMN COC1CCN(S(=O)(=O)c2ccc(F)c(CN)c2F)CC1 ZINC000088954712 192668090 /nfs/dbraw/zinc/66/80/90/192668090.db2.gz JKDWYPRTAOTISS-UHFFFAOYSA-N 0 1 320.361 1.223 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CC1(O)CCOCC1 ZINC000188069759 200189960 /nfs/dbraw/zinc/18/99/60/200189960.db2.gz HIYGNEUAYQAGCZ-MRXNPFEDSA-N 0 1 320.433 1.159 10 0 DDAEMN C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)c1ccc(F)c(F)c1 ZINC000188244958 200215098 /nfs/dbraw/zinc/21/50/98/200215098.db2.gz OCIFEKPMIGIZHH-MRVPVSSYSA-N 0 1 306.316 1.825 10 0 DDAEMN Cn1cnc(N)c1S(=O)(=O)Nc1cccc2ccccc21 ZINC000006133827 181315827 /nfs/dbraw/zinc/31/58/27/181315827.db2.gz QTWPSHLQJNEUCI-UHFFFAOYSA-N 0 1 302.359 1.956 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(c2cccc(O)c2)CC1 ZINC000193364199 201039757 /nfs/dbraw/zinc/03/97/57/201039757.db2.gz CXSBXNQGQBVHTD-KRWDZBQOSA-N 0 1 308.422 1.692 10 0 DDAEMN CC[N@@H+]1CCO[C@H](CSc2nc(C)nc(C)c2C(=O)[O-])C1 ZINC000092050890 193148132 /nfs/dbraw/zinc/14/81/32/193148132.db2.gz JRILAHYUEVWXGZ-NSHDSACASA-N 0 1 311.407 1.604 10 0 DDAEMN CC[N@H+]1CCO[C@H](CSc2nc(C)nc(C)c2C(=O)[O-])C1 ZINC000092050890 193148134 /nfs/dbraw/zinc/14/81/34/193148134.db2.gz JRILAHYUEVWXGZ-NSHDSACASA-N 0 1 311.407 1.604 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113507 193161389 /nfs/dbraw/zinc/16/13/89/193161389.db2.gz BWDYGXGLFJYOIW-AOOOYVTPSA-N 0 1 300.428 1.104 10 0 DDAEMN COc1c(CN2CCC[C@@H]2CN2CCOCC2)c(C)nn1C ZINC000092218245 193174443 /nfs/dbraw/zinc/17/44/43/193174443.db2.gz PFYAMWVFRXYCBI-CQSZACIVSA-N 0 1 308.426 1.034 10 0 DDAEMN CN[C@@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)c1cnn(C)c1 ZINC000262307453 203256125 /nfs/dbraw/zinc/25/61/25/203256125.db2.gz BJWUSICABUUYLU-OAHLLOKOSA-N 0 1 318.377 1.053 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598791 193272583 /nfs/dbraw/zinc/27/25/83/193272583.db2.gz JNGPEHKHRWLVOD-SKDRFNHKSA-N 0 1 305.300 1.963 10 0 DDAEMN CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776201 193305256 /nfs/dbraw/zinc/30/52/56/193305256.db2.gz WRDLNPGMZBOJTG-HZMBPMFUSA-N 0 1 310.423 1.028 10 0 DDAEMN CCN1CCO[C@H](c2nc(C)c(Br)c(=O)[nH]2)C1 ZINC000093897500 193325780 /nfs/dbraw/zinc/32/57/80/193325780.db2.gz UYGUBQYSDNSSTE-QMMMGPOBSA-N 0 1 302.172 1.234 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(N)cc(F)c2C)C1 ZINC000094360170 193365432 /nfs/dbraw/zinc/36/54/32/193365432.db2.gz KGSYWAXNXIPMLD-LBPRGKRZSA-N 0 1 315.414 1.479 10 0 DDAEMN CSCC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000094441889 193369713 /nfs/dbraw/zinc/36/97/13/193369713.db2.gz DVEWYGGZHZERRN-NEPJUHHUSA-N 0 1 315.439 1.072 10 0 DDAEMN C[C@@]1(CNS(=O)(=O)c2cccc(F)c2CN)CCCO1 ZINC000094801025 193399375 /nfs/dbraw/zinc/39/93/75/193399375.db2.gz RHEDTSBCMCVUKG-ZDUSSCGKSA-N 0 1 302.371 1.132 10 0 DDAEMN O=C(Nc1nc2c(s1)CNCC2)c1ccc2c(c1)OCO2 ZINC000019681413 182136189 /nfs/dbraw/zinc/13/61/89/182136189.db2.gz KGNVXVFANIKVGI-UHFFFAOYSA-N 0 1 303.343 1.770 10 0 DDAEMN O=C([O-])[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccs2)CC1 ZINC000038042394 182978337 /nfs/dbraw/zinc/97/83/37/182978337.db2.gz OJTAAEWHQZOYHC-GFCCVEGCSA-N 0 1 308.403 1.902 10 0 DDAEMN Cc1nc(C)c([C@@H](C)NCc2cc(=O)n(C)c(=O)n2C)s1 ZINC000040518648 183089856 /nfs/dbraw/zinc/08/98/56/183089856.db2.gz VHHXUQBOYXUGTI-MRVPVSSYSA-N 0 1 308.407 1.008 10 0 DDAEMN O=C(NCc1cc(Br)ccc1F)[C@@H]1CNCCO1 ZINC000043801198 183386268 /nfs/dbraw/zinc/38/62/68/183386268.db2.gz DYZWCCCYBXBJMO-NSHDSACASA-N 0 1 317.158 1.193 10 0 DDAEMN Cn1cc[nH+]c1CCn1c(SCC(=O)[O-])nnc1C1CC1 ZINC000045135916 183483263 /nfs/dbraw/zinc/48/32/63/183483263.db2.gz UAEOIRGZISQMBL-UHFFFAOYSA-N 0 1 307.379 1.308 10 0 DDAEMN COc1ccc(NC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000105821649 194136947 /nfs/dbraw/zinc/13/69/47/194136947.db2.gz VYFHQXOWURLUQI-UONOGXRCSA-N 0 1 321.421 1.021 10 0 DDAEMN O[C@H](CN1CCC[C@H](n2cncn2)C1)c1ccc(F)cc1F ZINC000105898881 194164673 /nfs/dbraw/zinc/16/46/73/194164673.db2.gz YMMJREUZDLNGSG-SWLSCSKDSA-N 0 1 308.332 1.927 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ncccc2C)CC1 ZINC000109461995 194265265 /nfs/dbraw/zinc/26/52/65/194265265.db2.gz HWBBYHJDPQSGMC-LBPRGKRZSA-N 0 1 306.435 1.213 10 0 DDAEMN Cc1cccc(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)c1 ZINC000109465457 194266119 /nfs/dbraw/zinc/26/61/19/194266119.db2.gz XYAVASSNLFPRKY-UHFFFAOYSA-N 0 1 305.447 1.818 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000109471316 194267613 /nfs/dbraw/zinc/26/76/13/194267613.db2.gz WUICHDFRSUNKBY-SECBINFHSA-N 0 1 318.368 1.897 10 0 DDAEMN CCN1CCN(CC(=O)Nc2cc(Cl)ccc2N)C[C@@H]1C ZINC000110702206 194352079 /nfs/dbraw/zinc/35/20/79/194352079.db2.gz ATSNLFNBMVKGGJ-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN NCC(=O)NCC(=O)Nc1cc(Br)ccc1Cl ZINC000061692524 184183468 /nfs/dbraw/zinc/18/34/68/184183468.db2.gz LHSHNBSPNPOLJQ-UHFFFAOYSA-N 0 1 320.574 1.116 10 0 DDAEMN CCNS(=O)(=O)NC[C@H](c1cccs1)N(CC)CC ZINC000062359553 184233041 /nfs/dbraw/zinc/23/30/41/184233041.db2.gz YMFDOHYVEQNWJY-LLVKDONJSA-N 0 1 305.469 1.575 10 0 DDAEMN CC(C)C[N@H+](CC(=O)[O-])CC(=O)NCc1ccccc1Cl ZINC000062743497 184252182 /nfs/dbraw/zinc/25/21/82/184252182.db2.gz XZBUHIQZBPFXFF-UHFFFAOYSA-N 0 1 312.797 1.999 10 0 DDAEMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)NCc1ccccc1Cl ZINC000062743497 184252183 /nfs/dbraw/zinc/25/21/83/184252183.db2.gz XZBUHIQZBPFXFF-UHFFFAOYSA-N 0 1 312.797 1.999 10 0 DDAEMN Cc1cc(F)ccc1S(=O)(=O)NOCCN1CCCCC1 ZINC000062578225 184244497 /nfs/dbraw/zinc/24/44/97/184244497.db2.gz SZGNHLAJEUFBKE-UHFFFAOYSA-N 0 1 316.398 1.830 10 0 DDAEMN O=S(=O)(Cc1ccc(Cl)cc1)N1CCc2nc[nH]c2C1 ZINC000065164425 184313070 /nfs/dbraw/zinc/31/30/70/184313070.db2.gz HCINGTJTIFRQGO-UHFFFAOYSA-N 0 1 311.794 1.951 10 0 DDAEMN CCc1nc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n[nH]1 ZINC000158327328 197262913 /nfs/dbraw/zinc/26/29/13/197262913.db2.gz OWAQGZOCYMPSEE-LBPRGKRZSA-N 0 1 301.398 1.258 10 0 DDAEMN COC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000188151158 285292124 /nfs/dbraw/zinc/29/21/24/285292124.db2.gz VNVQNYVRJBVZGO-HYVNUMGLSA-N 0 1 320.433 1.422 10 0 DDAEMN CN1[C@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000248033796 257111155 /nfs/dbraw/zinc/11/11/55/257111155.db2.gz MAEMKQDLWDBZFY-CWRNSKLLSA-N 0 1 303.406 1.310 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccsc2)C1)N1CCCO1 ZINC000247804401 257117869 /nfs/dbraw/zinc/11/78/69/257117869.db2.gz XYNZAQBZPXRFFL-ILXRZTDVSA-N 0 1 322.430 1.891 10 0 DDAEMN O=C(NCC1CC1)[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccoc2)O1 ZINC000247502846 257119716 /nfs/dbraw/zinc/11/97/16/257119716.db2.gz QLBFGSPCWPFINH-JYJNAYRXSA-N 0 1 304.390 1.928 10 0 DDAEMN c1csc(CN2C[C@@H]3OCCN(c4ncccn4)C[C@@H]3C2)c1 ZINC000253596264 257105369 /nfs/dbraw/zinc/10/53/69/257105369.db2.gz PGCFOKSUIMQYLR-ZFWWWQNUSA-N 0 1 316.430 1.875 10 0 DDAEMN COc1ccccc1COC[C@@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000077657606 407000040 /nfs/dbraw/zinc/00/00/40/407000040.db2.gz ZJKGCWXTSYUBOF-LZWOXQAQSA-N 0 1 309.406 1.682 10 0 DDAEMN CCCCNC(=O)[C@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000092710372 407191082 /nfs/dbraw/zinc/19/10/82/407191082.db2.gz KDOLHGYPBPUSIG-AWEZNQCLSA-N 0 1 322.453 1.865 10 0 DDAEMN CC(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000098051548 407305133 /nfs/dbraw/zinc/30/51/33/407305133.db2.gz QXISUCCBGHTIKK-ZDUSSCGKSA-N 0 1 315.377 1.073 10 0 DDAEMN CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3CCCC3)CC2)C1 ZINC000105845977 407355264 /nfs/dbraw/zinc/35/52/64/407355264.db2.gz VEMGQBLSZIWTPO-SFHVURJKSA-N 0 1 309.498 1.903 10 0 DDAEMN CCCCC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818230 407355275 /nfs/dbraw/zinc/35/52/75/407355275.db2.gz YKIGANOCWHTLFE-MRXNPFEDSA-N 0 1 311.470 1.430 10 0 DDAEMN CCCCC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105818230 407355277 /nfs/dbraw/zinc/35/52/77/407355277.db2.gz YKIGANOCWHTLFE-MRXNPFEDSA-N 0 1 311.470 1.430 10 0 DDAEMN CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000105817956 407355390 /nfs/dbraw/zinc/35/53/90/407355390.db2.gz LLXYMAYOJUMDHL-KRWDZBQOSA-N 0 1 323.481 1.430 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000105817956 407355392 /nfs/dbraw/zinc/35/53/92/407355392.db2.gz LLXYMAYOJUMDHL-KRWDZBQOSA-N 0 1 323.481 1.430 10 0 DDAEMN CCO[C@H]1C[C@@H](N(C)CC(=O)NCCCOC)C12CCCC2 ZINC000125648429 407394392 /nfs/dbraw/zinc/39/43/92/407394392.db2.gz TYCXUZRXSJXSPW-CABCVRRESA-N 0 1 312.454 1.809 10 0 DDAEMN Cc1nc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)sc1C ZINC000112548546 407432213 /nfs/dbraw/zinc/43/22/13/407432213.db2.gz MOQNJCASNZSRHT-JQWIXIFHSA-N 0 1 312.439 1.007 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)nc3)CCO2)n[nH]1 ZINC000128267397 407518254 /nfs/dbraw/zinc/51/82/54/407518254.db2.gz YKKGBJYAPGYJSU-SNVBAGLBSA-N 0 1 320.328 1.507 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000171189781 407618707 /nfs/dbraw/zinc/61/87/07/407618707.db2.gz RNQWVFDHPIMVHF-INIZCTEOSA-N 0 1 305.422 1.941 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCNC(=O)C(C)(C)C ZINC000171615720 407720735 /nfs/dbraw/zinc/72/07/35/407720735.db2.gz IFIWVAJEFPVDQX-OAHLLOKOSA-N 0 1 319.449 1.438 10 0 DDAEMN C[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccc2ccccc2c1 ZINC000152957160 407721501 /nfs/dbraw/zinc/72/15/01/407721501.db2.gz UPXKFUWBGXEBSW-CYBMUJFWSA-N 0 1 311.385 1.449 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000262190959 407763321 /nfs/dbraw/zinc/76/33/21/407763321.db2.gz CFTAAEZILFOUDV-QGZVFWFLSA-N 0 1 314.385 1.856 10 0 DDAEMN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](N)COC ZINC000262251537 407775871 /nfs/dbraw/zinc/77/58/71/407775871.db2.gz SQJZWMOIRSVDPB-CHWSQXEVSA-N 0 1 308.378 1.039 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000262363049 407811787 /nfs/dbraw/zinc/81/17/87/407811787.db2.gz VUOGXUDXDKGMHF-LBPRGKRZSA-N 0 1 317.345 1.753 10 0 DDAEMN CC(C)c1nc2c(n1C)CCN(CCCN1CCOCC1)C2 ZINC000173705516 407894529 /nfs/dbraw/zinc/89/45/29/407894529.db2.gz SKNPCNJPDTYDCN-UHFFFAOYSA-N 0 1 306.454 1.624 10 0 DDAEMN C[C@H](C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C(F)(F)F ZINC000262684123 407902157 /nfs/dbraw/zinc/90/21/57/407902157.db2.gz BRNVBOPBYHZVNA-MFAVDMRSSA-N 0 1 322.327 1.629 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000262742789 407915016 /nfs/dbraw/zinc/91/50/16/407915016.db2.gz WRVDFOIUIXGHDZ-RVZSJEDASA-N 0 1 306.406 1.476 10 0 DDAEMN C[C@H]1NCCN(S(=O)(=O)c2cc(F)c(F)cc2F)[C@H]1C ZINC000262783145 407928157 /nfs/dbraw/zinc/92/81/57/407928157.db2.gz PMJMVUHGGUHBTC-SFYZADRCSA-N 0 1 308.325 1.475 10 0 DDAEMN COC(=O)CC(C)(C)CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181384017 407989748 /nfs/dbraw/zinc/98/97/48/407989748.db2.gz XTGGRRJIVFXALX-LLVKDONJSA-N 0 1 308.382 1.838 10 0 DDAEMN CCOC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000181635730 408019906 /nfs/dbraw/zinc/01/99/06/408019906.db2.gz WAIYCQSYQJGBBM-SNVBAGLBSA-N 0 1 314.332 1.637 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccc(C)cc3)CCO2)n[nH]1 ZINC000175295708 408100584 /nfs/dbraw/zinc/10/05/84/408100584.db2.gz YNKCBAIEIUFMEO-AWEZNQCLSA-N 0 1 315.377 1.705 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCOC(C)C)CCN1C[C@@H](C)O ZINC000182578984 408195102 /nfs/dbraw/zinc/19/51/02/408195102.db2.gz LTPSTUNJZOGNDL-HUUCEWRRSA-N 0 1 300.443 1.495 10 0 DDAEMN CCNC(=O)NC(=O)CN(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121135564 408157857 /nfs/dbraw/zinc/15/78/57/408157857.db2.gz CKBQZSLFHSOTPJ-OLZOCXBDSA-N 0 1 311.426 1.502 10 0 DDAEMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000155426970 408163651 /nfs/dbraw/zinc/16/36/51/408163651.db2.gz GVBVDIWVGDKJFX-OCCSQVGLSA-N 0 1 302.378 1.708 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cnc3ccccc3n2)C1 ZINC000263569290 408177630 /nfs/dbraw/zinc/17/76/30/408177630.db2.gz ZGNNYYUPRHCOLA-UHFFFAOYSA-N 0 1 300.362 1.979 10 0 DDAEMN Cc1ccc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1C ZINC000263580328 408180560 /nfs/dbraw/zinc/18/05/60/408180560.db2.gz VVAUZBHTSBNYTK-MRXNPFEDSA-N 0 1 306.406 1.521 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(O)cc2O)CCN1C[C@@H](C)O ZINC000182520585 408184833 /nfs/dbraw/zinc/18/48/33/408184833.db2.gz HGCBBUSOSPBHDO-NEPJUHHUSA-N 0 1 308.378 1.015 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CC2=CCCOC2)CC1 ZINC000121461966 408216563 /nfs/dbraw/zinc/21/65/63/408216563.db2.gz ZHLMUYQIODAORF-UHFFFAOYSA-N 0 1 304.438 1.501 10 0 DDAEMN CC(=O)NC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000190520519 408269182 /nfs/dbraw/zinc/26/91/82/408269182.db2.gz AONDQTSRFQXYHC-UHFFFAOYSA-N 0 1 318.764 1.691 10 0 DDAEMN CCOC(=O)CCCCN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000132982370 162048389 /nfs/dbraw/zinc/04/83/89/162048389.db2.gz BZKOVVNCGOGLDO-MRXNPFEDSA-N 0 1 323.437 1.934 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000169132620 162181994 /nfs/dbraw/zinc/18/19/94/162181994.db2.gz LZAJHTUZNBIRAA-SECBINFHSA-N 0 1 303.156 1.370 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)CCO2)n[nH]1 ZINC000173406856 162337374 /nfs/dbraw/zinc/33/73/74/162337374.db2.gz DIWKVKYYNFCDNZ-JTQLQIEISA-N 0 1 306.410 1.949 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc(C)c3C)CCO2)n[nH]1 ZINC000173538158 162347754 /nfs/dbraw/zinc/34/77/54/162347754.db2.gz YRSKUDNSVYOTLD-CQSZACIVSA-N 0 1 300.362 1.944 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)CCO2)n[nH]1 ZINC000173612430 162351882 /nfs/dbraw/zinc/35/18/82/162351882.db2.gz AQQJAKVDQMCZIC-OLZOCXBDSA-N 0 1 321.425 1.141 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)CCO2)n[nH]1 ZINC000173612430 162351887 /nfs/dbraw/zinc/35/18/87/162351887.db2.gz AQQJAKVDQMCZIC-OLZOCXBDSA-N 0 1 321.425 1.141 10 0 DDAEMN Cc1nc([C@H]2CN(CCCCCn3cccn3)CCO2)n[nH]1 ZINC000173674064 162355431 /nfs/dbraw/zinc/35/54/31/162355431.db2.gz GUSMJDJJYSOVJK-CQSZACIVSA-N 0 1 304.398 1.553 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2nc(-c3ccsc3)no2)C[C@H]1C ZINC000247101206 408408162 /nfs/dbraw/zinc/40/81/62/408408162.db2.gz IEFIZUXGZAFLBV-NEPJUHHUSA-N 0 1 322.434 1.685 10 0 DDAEMN COc1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000247690722 408504103 /nfs/dbraw/zinc/50/41/03/408504103.db2.gz VVIBWGFIEDRDAQ-STQMWFEESA-N 0 1 307.394 1.614 10 0 DDAEMN COc1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247690719 408504192 /nfs/dbraw/zinc/50/41/92/408504192.db2.gz VVIBWGFIEDRDAQ-OLZOCXBDSA-N 0 1 307.394 1.614 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000248433161 408565169 /nfs/dbraw/zinc/56/51/69/408565169.db2.gz QQARRVRHUZBORR-CABCVRRESA-N 0 1 308.426 1.968 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(Cl)n1 ZINC000248988571 408672487 /nfs/dbraw/zinc/67/24/87/408672487.db2.gz FKNGZVFIVOPFFD-NSHDSACASA-N 0 1 315.826 1.512 10 0 DDAEMN CCOCCN1CCN([C@H](C)c2nnnn2C2CC2)C[C@H]1CC ZINC000248833345 408644608 /nfs/dbraw/zinc/64/46/08/408644608.db2.gz IYTHOOBBEKEJAT-ZIAGYGMSSA-N 0 1 322.457 1.502 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2c(C)noc2C)CCN1C[C@@H](C)O ZINC000184961424 408727292 /nfs/dbraw/zinc/72/72/92/408727292.db2.gz AELSGQILVBYJRE-RISCZKNCSA-N 0 1 324.425 1.278 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccsc3)CCO2)n[nH]1 ZINC000177927008 408741282 /nfs/dbraw/zinc/74/12/82/408741282.db2.gz RXZVAPWTMQIHJK-LLVKDONJSA-N 0 1 321.406 1.712 10 0 DDAEMN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000189325421 163095389 /nfs/dbraw/zinc/09/53/89/163095389.db2.gz FDQGJKCZAZAPBB-VXNVDRBHSA-N 0 1 308.325 1.523 10 0 DDAEMN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000191671030 163197242 /nfs/dbraw/zinc/19/72/42/163197242.db2.gz UQKJRKMTTFFONR-UKRRQHHQSA-N 0 1 318.421 1.587 10 0 DDAEMN CC(C)n1cc([C@]2(O)CC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000285391207 409424346 /nfs/dbraw/zinc/42/43/46/409424346.db2.gz FHSNLPZFELUXRC-KRWDZBQOSA-N 0 1 300.406 1.995 10 0 DDAEMN COC(=O)CCCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000299039069 410493596 /nfs/dbraw/zinc/49/35/96/410493596.db2.gz JFUAHENPCDGAKE-UHFFFAOYSA-N 0 1 311.281 1.335 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C1 ZINC000189420011 222043171 /nfs/dbraw/zinc/04/31/71/222043171.db2.gz UYNGDOVHHSECIM-CYBMUJFWSA-N 0 1 320.455 1.124 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(CC2=CCCOC2)C1 ZINC000583617646 422201309 /nfs/dbraw/zinc/20/13/09/422201309.db2.gz VKZQLMKTXVUXNL-KGLIPLIRSA-N 0 1 304.394 1.791 10 0 DDAEMN Cc1cccc(C)c1OCCN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618061 422206338 /nfs/dbraw/zinc/20/63/38/422206338.db2.gz YZXUBINSARKHAA-QGZVFWFLSA-N 0 1 316.405 1.784 10 0 DDAEMN Cc1nnc([C@@H]2COCCN2C(=O)c2cc(CC(C)C)[nH]n2)o1 ZINC000583623005 422206820 /nfs/dbraw/zinc/20/68/20/422206820.db2.gz JIJLKSJLXLCOIS-ZDUSSCGKSA-N 0 1 319.365 1.513 10 0 DDAEMN CCOC(=O)N1CCC([C@@H](C)NCc2nnnn2C(C)C)CC1 ZINC000186432345 263399993 /nfs/dbraw/zinc/39/99/93/263399993.db2.gz SBWHUEXOSHPOGB-GFCCVEGCSA-N 0 1 324.429 1.601 10 0 DDAEMN CC(C)(C)OC[C@H](O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000245199181 277216739 /nfs/dbraw/zinc/21/67/39/277216739.db2.gz CXUXHVNFYNJLQW-CVEARBPZSA-N 0 1 320.433 1.726 10 0 DDAEMN Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122429607 281156362 /nfs/dbraw/zinc/15/63/62/281156362.db2.gz ZUDSSFRGAWDXAO-HOCLYGCPSA-N 0 1 321.469 1.952 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000123343437 281169826 /nfs/dbraw/zinc/16/98/26/281169826.db2.gz QPUKKKYCTVFULB-NVXWUHKLSA-N 0 1 311.470 1.166 10 0 DDAEMN C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000246381193 281980426 /nfs/dbraw/zinc/98/04/26/281980426.db2.gz IXAWIJQJTGXUNK-OIISXLGYSA-N 0 1 320.433 1.470 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)cc2)C[C@H]1C ZINC000492488560 290087698 /nfs/dbraw/zinc/08/76/98/290087698.db2.gz JYUCBDBPVJSAQJ-GMOCCLDISA-N 0 1 304.390 1.319 10 0 DDAEMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@H](n2cccn2)C1 ZINC000328641939 534666159 /nfs/dbraw/zinc/66/61/59/534666159.db2.gz DNHWCJZHWOSCLN-LLVKDONJSA-N 0 1 314.324 1.771 10 0 DDAEMN COCCN1CCN(Cn2ncn(C3CC3)c2=S)C[C@@H]1C ZINC000117321626 696670758 /nfs/dbraw/zinc/67/07/58/696670758.db2.gz RZGKVUQFLQQHMK-LBPRGKRZSA-N 0 1 311.455 1.359 10 0 DDAEMN CCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC000184657632 697506044 /nfs/dbraw/zinc/50/60/44/697506044.db2.gz MHERQHHMVACONS-OAHLLOKOSA-N 0 1 324.446 1.928 10 0 DDAEMN CCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000184657632 697506046 /nfs/dbraw/zinc/50/60/46/697506046.db2.gz MHERQHHMVACONS-OAHLLOKOSA-N 0 1 324.446 1.928 10 0 DDAEMN Cc1cc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)ccc1F ZINC000263510913 698510922 /nfs/dbraw/zinc/51/09/22/698510922.db2.gz NKFSQGJNIQXDNJ-CQSZACIVSA-N 0 1 310.369 1.351 10 0 DDAEMN Cc1nc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]c1C ZINC000709006910 699251258 /nfs/dbraw/zinc/25/12/58/699251258.db2.gz XEBOHJHZSQZPGY-QWHCGFSZSA-N 0 1 324.425 1.344 10 0 DDAEMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826794126 705873040 /nfs/dbraw/zinc/87/30/40/705873040.db2.gz NMGFXYKGCWLMGR-GJZGRUSLSA-N 0 1 305.426 1.223 10 0 DDAEMN Cc1nc([C@@H]2OCC[C@@H]2NC(=O)Cc2ccccc2C)n[nH]1 ZINC000888095267 709211568 /nfs/dbraw/zinc/21/15/68/709211568.db2.gz WEYRRBFRSXVPHJ-DZGCQCFKSA-N 0 1 300.362 1.610 10 0 DDAEMN CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000900082556 709283336 /nfs/dbraw/zinc/28/33/36/709283336.db2.gz AWYZTXAHBHEGQU-PRULPYPASA-N 0 1 308.344 1.679 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@@H](N3CCC3)C2)C1 ZINC000912910836 713121564 /nfs/dbraw/zinc/12/15/64/713121564.db2.gz SXJLZJSLYBNWSP-UONOGXRCSA-N 0 1 323.437 1.550 10 0 DDAEMN CCCCOCCNC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248456728 282084850 /nfs/dbraw/zinc/08/48/50/282084850.db2.gz NZEUVGCQQHWJAQ-LSDHHAIUSA-N 0 1 315.458 1.290 10 0 DDAEMN CCN(CC)c1ccc(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000074731552 185014187 /nfs/dbraw/zinc/01/41/87/185014187.db2.gz SBERTBUGHLJCSB-UHFFFAOYSA-N 0 1 316.361 1.091 10 0 DDAEMN C[C@@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)N1CCCCC1=O ZINC000328717416 231319292 /nfs/dbraw/zinc/31/92/92/231319292.db2.gz FHGWAPOHFMROOL-ZDUSSCGKSA-N 0 1 318.421 1.907 10 0 DDAEMN C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Br)s2)CC1 ZINC000088045301 185237847 /nfs/dbraw/zinc/23/78/47/185237847.db2.gz GKZQGAXXEZJRRI-JTQLQIEISA-N 0 1 319.224 1.884 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(F)cc1Cl)C(C)C ZINC000183672857 539243075 /nfs/dbraw/zinc/24/30/75/539243075.db2.gz JPMMZUBSYCAEMO-CYBMUJFWSA-N 0 1 315.776 1.778 10 0 DDAEMN COc1ccc(OC)c(NS(=O)(=O)[C@@H](C)C(N)=S)c1 ZINC000088486995 185253457 /nfs/dbraw/zinc/25/34/57/185253457.db2.gz JQYMHMBSFMGYAY-ZETCQYMHSA-N 0 1 304.393 1.120 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1cccs1 ZINC000088882761 185268449 /nfs/dbraw/zinc/26/84/49/185268449.db2.gz VUDJKLHRSKSWAG-UHFFFAOYSA-N 0 1 301.393 1.093 10 0 DDAEMN CS(=O)(=O)c1ccc([S@@](=O)C[C@@H](N)c2ccccc2)cc1 ZINC000084055937 192397330 /nfs/dbraw/zinc/39/73/30/192397330.db2.gz FEVJEQKBBMAGHW-FOIQADDNSA-N 0 1 323.439 1.898 10 0 DDAEMN COc1ccc(OC)c([C@H](N)C[S@](=O)C2CCOCC2)c1 ZINC000084054316 192397605 /nfs/dbraw/zinc/39/76/05/192397605.db2.gz IFBKDLAXUIONOW-SPLOXXLWSA-N 0 1 313.419 1.631 10 0 DDAEMN CCN(CC)C(=O)Cn1c2ccc(OC)cc2nc1[C@@H](C)N ZINC000071667923 191002361 /nfs/dbraw/zinc/00/23/61/191002361.db2.gz KBWARJIVDAEJKT-LLVKDONJSA-N 0 1 304.394 1.933 10 0 DDAEMN Oc1ccc(Br)c(CN[C@@H]2CCOC[C@@H]2O)c1 ZINC000623766254 366045636 /nfs/dbraw/zinc/04/56/36/366045636.db2.gz CQYHNYQRCDIRBG-NEPJUHHUSA-N 0 1 302.168 1.394 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000173579903 198229505 /nfs/dbraw/zinc/22/95/05/198229505.db2.gz SWJRTXQTUVNMLM-ZDUSSCGKSA-N 0 1 300.362 1.889 10 0 DDAEMN Nc1cc(C(=O)N2CCCN(Cc3cccs3)CC2)[nH]n1 ZINC000080654228 192178796 /nfs/dbraw/zinc/17/87/96/192178796.db2.gz SDULIVZLYNBECA-UHFFFAOYSA-N 0 1 305.407 1.402 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2C)CC1 ZINC000174093889 198290284 /nfs/dbraw/zinc/29/02/84/198290284.db2.gz WOCOSWVCWCIZGY-OAHLLOKOSA-N 0 1 305.422 1.322 10 0 DDAEMN CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCOC1=O ZINC000328646880 354558315 /nfs/dbraw/zinc/55/83/15/354558315.db2.gz SVMRNIJCQJSNTF-UWVGGRQHSA-N 0 1 317.311 1.712 10 0 DDAEMN C[C@@H](NC(=O)[C@]1(N)CCOC1)c1cccc(Br)c1 ZINC000085870147 192536422 /nfs/dbraw/zinc/53/64/22/192536422.db2.gz IOVZVVPVWAJXRH-RNCFNFMXSA-N 0 1 313.195 1.744 10 0 DDAEMN CC(C)C[C@H](N[C@H]1CCO[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000179808044 199082920 /nfs/dbraw/zinc/08/29/20/199082920.db2.gz VNOKRKKWIMDBEN-DCAQKATOSA-N 0 1 306.370 1.709 10 0 DDAEMN C[C@@H]1CC[C@@H](CN2CCN(C[C@H](O)c3ccccc3)CC2)O1 ZINC000188546706 200263538 /nfs/dbraw/zinc/26/35/38/200263538.db2.gz HOTCHTVTPKZCAU-NJAFHUGGSA-N 0 1 304.434 1.905 10 0 DDAEMN Cn1ccnc1SCc1cccc(C(=O)N2CCNCC2)c1 ZINC000237892455 202383313 /nfs/dbraw/zinc/38/33/13/202383313.db2.gz HKHXGWRHFRTMFD-UHFFFAOYSA-N 0 1 316.430 1.758 10 0 DDAEMN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000237903881 202385566 /nfs/dbraw/zinc/38/55/66/202385566.db2.gz RZOJJBVATDTQNX-UFBFGSQYSA-N 0 1 322.352 1.900 10 0 DDAEMN CSC1(C(N)=S)CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000091478118 193062483 /nfs/dbraw/zinc/06/24/83/193062483.db2.gz HREDLSZNUISNSB-VIFPVBQESA-N 0 1 301.481 1.137 10 0 DDAEMN CSC1(C(N)=S)CCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000091489050 193063000 /nfs/dbraw/zinc/06/30/00/193063000.db2.gz WPINDTMHBFSXTB-NSHDSACASA-N 0 1 317.524 1.631 10 0 DDAEMN O=C([C@@H]1CNCCO1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262621654 203354641 /nfs/dbraw/zinc/35/46/41/203354641.db2.gz IZXUCZITMUTPDK-AVGNSLFASA-N 0 1 310.419 1.151 10 0 DDAEMN CCN1CCC[C@@H]1CNS(=O)(=O)c1c(C)cc(N)cc1C ZINC000093648153 193283910 /nfs/dbraw/zinc/28/39/10/193283910.db2.gz AYVPCPFKVOOUEG-CQSZACIVSA-N 0 1 311.451 1.648 10 0 DDAEMN C[N@H+]1CCC[C@@H](CNC(=O)c2csc(/C=C/C(=O)[O-])c2)C1 ZINC000093977329 193334075 /nfs/dbraw/zinc/33/40/75/193334075.db2.gz IHWKVHAZAPTCHN-ZWNMCFTASA-N 0 1 308.403 1.918 10 0 DDAEMN C[C@H](N)c1nc(-c2nc([C@H]3CN(C)CCN3C)no2)cs1 ZINC000093892792 193323623 /nfs/dbraw/zinc/32/36/23/193323623.db2.gz PAWGHKHUTOLLOY-WCBMZHEXSA-N 0 1 308.411 1.131 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1N ZINC000094457687 193371178 /nfs/dbraw/zinc/37/11/78/193371178.db2.gz HIUPMBKGQIUAEM-NWDGAFQWSA-N 0 1 309.435 1.345 10 0 DDAEMN CCc1nc(CN2CCC[C@H]2C(=O)N2CCNCC2)cs1 ZINC000040508432 183086158 /nfs/dbraw/zinc/08/61/58/183086158.db2.gz GMBOUGPZVINTQN-ZDUSSCGKSA-N 0 1 308.451 1.102 10 0 DDAEMN N[C@H](CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000041532432 183199169 /nfs/dbraw/zinc/19/91/69/183199169.db2.gz FRVWPUCRJQPMGB-CYBMUJFWSA-N 0 1 305.355 1.889 10 0 DDAEMN CNC(=O)CN1CCC([NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000043478437 183365941 /nfs/dbraw/zinc/36/59/41/183365941.db2.gz ORTRCFLFOCRODT-UHFFFAOYSA-N 0 1 311.813 1.346 10 0 DDAEMN O=C(CCc1cc(F)ccc1F)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284907794 218230043 /nfs/dbraw/zinc/23/00/43/218230043.db2.gz UTLQZTJOXCPKAE-OAHLLOKOSA-N 0 1 322.315 1.136 10 0 DDAEMN CCCc1noc(CN2CCN(CCOCC)[C@H](CC)C2)n1 ZINC000105838177 194144541 /nfs/dbraw/zinc/14/45/41/194144541.db2.gz VATGKEQNAYWNGO-CQSZACIVSA-N 0 1 310.442 1.955 10 0 DDAEMN COCCCNC(=O)[C@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886842 194157967 /nfs/dbraw/zinc/15/79/67/194157967.db2.gz HDBJZCVILPVHOT-AWEZNQCLSA-N 0 1 308.426 1.136 10 0 DDAEMN Cn1cnnc1CC[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000109422835 194262837 /nfs/dbraw/zinc/26/28/37/194262837.db2.gz UYFJGFYQSMQUQZ-UHFFFAOYSA-N 0 1 311.183 1.616 10 0 DDAEMN Cc1ccc(CC(=O)N2CCN([C@@H](C)C(N)=S)CC2)cc1 ZINC000109458915 194265292 /nfs/dbraw/zinc/26/52/92/194265292.db2.gz CCPSJNAEXCMQBQ-ZDUSSCGKSA-N 0 1 305.447 1.356 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000109471313 194267309 /nfs/dbraw/zinc/26/73/09/194267309.db2.gz WUICHDFRSUNKBY-VIFPVBQESA-N 0 1 318.368 1.897 10 0 DDAEMN CCN1CCN(c2ncc(Br)cc2CO)C[C@@H]1C ZINC000110733206 194354341 /nfs/dbraw/zinc/35/43/41/194354341.db2.gz WYUZZTRWAXICLZ-JTQLQIEISA-N 0 1 314.227 1.867 10 0 DDAEMN CCOC(=O)c1cc(C)sc1NS(=O)(=O)N1CCCC1 ZINC000110777458 194358596 /nfs/dbraw/zinc/35/85/96/194358596.db2.gz BYXSCPRDKICJIY-UHFFFAOYSA-N 0 1 318.420 1.986 10 0 DDAEMN Clc1nc(N[C@H]2CN3CCC2CC3)nc(N2CCCC2)n1 ZINC000061536719 184172537 /nfs/dbraw/zinc/17/25/37/184172537.db2.gz JEYHHPJRGQDOHS-NSHDSACASA-N 0 1 308.817 1.631 10 0 DDAEMN CNCc1nnnn1-c1cc(Br)ccc1Cl ZINC000061692618 184183435 /nfs/dbraw/zinc/18/34/35/184183435.db2.gz PHHZQANJKHFRRO-UHFFFAOYSA-N 0 1 302.563 1.798 10 0 DDAEMN NNc1ncc(S(=O)(=O)N2CCC3(CCCC3)CC2)cn1 ZINC000062960042 184262241 /nfs/dbraw/zinc/26/22/41/184262241.db2.gz LCZHBDZKANGHOS-UHFFFAOYSA-N 0 1 311.411 1.107 10 0 DDAEMN Cc1cc(S(=O)(=O)NOCCN2CCCC2)ccc1F ZINC000062578385 184244450 /nfs/dbraw/zinc/24/44/50/184244450.db2.gz LLDUXYLWYSFBID-UHFFFAOYSA-N 0 1 302.371 1.440 10 0 DDAEMN C[C@@]1(NC2=N[C@@H](Cc3ccccc3)CS2)CCS(=O)(=O)C1 ZINC000063220637 184279605 /nfs/dbraw/zinc/27/96/05/184279605.db2.gz NSVSDGZEFHZCJN-DZGCQCFKSA-N 0 1 324.471 1.867 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccncc2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247794654 257117952 /nfs/dbraw/zinc/11/79/52/257117952.db2.gz QPVZHJNVXBUHSY-OAGGEKHMSA-N 0 1 317.389 1.082 10 0 DDAEMN CCOCCNC(=O)CN(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246364259 286093737 /nfs/dbraw/zinc/09/37/37/286093737.db2.gz HHVDPGKEWAKYDS-LSDHHAIUSA-N 0 1 312.454 1.809 10 0 DDAEMN COCCN1CCN(c2ncnc3nc(C)cc(C)c32)CC1 ZINC000095382365 407211763 /nfs/dbraw/zinc/21/17/63/407211763.db2.gz MLKRHJSFLAJVAS-UHFFFAOYSA-N 0 1 301.394 1.410 10 0 DDAEMN O=C([O-])[C@H]1C[NH2+]CCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000097805733 407302736 /nfs/dbraw/zinc/30/27/36/407302736.db2.gz MGLAHQHEIOCKNT-ZDUSSCGKSA-N 0 1 306.410 1.248 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCc1cnn(C)c1 ZINC000106915660 407366740 /nfs/dbraw/zinc/36/67/40/407366740.db2.gz UQPBIBZCUFMMJS-KRWDZBQOSA-N 0 1 314.433 1.642 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000128215106 407510139 /nfs/dbraw/zinc/51/01/39/407510139.db2.gz WARJOXPYGPACAQ-ZIAGYGMSSA-N 0 1 320.437 1.137 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CCN1C[C@@H](C)O ZINC000128215106 407510145 /nfs/dbraw/zinc/51/01/45/407510145.db2.gz WARJOXPYGPACAQ-ZIAGYGMSSA-N 0 1 320.437 1.137 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccccc2O)CCN1C[C@@H](C)O ZINC000152176678 407577044 /nfs/dbraw/zinc/57/70/44/407577044.db2.gz XQSAISSBACRZAA-ZIAGYGMSSA-N 0 1 322.405 1.075 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185897612 407533880 /nfs/dbraw/zinc/53/38/80/407533880.db2.gz KXQDVFAFTQHWGL-CMPLNLGQSA-N 0 1 301.350 1.591 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000170873482 407542052 /nfs/dbraw/zinc/54/20/52/407542052.db2.gz VBKGXGLNIMWFQN-MRVPVSSYSA-N 0 1 324.233 1.713 10 0 DDAEMN C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000261934840 407678626 /nfs/dbraw/zinc/67/86/26/407678626.db2.gz WQNPYGRLLXUEMW-GOEBONIOSA-N 0 1 317.433 1.274 10 0 DDAEMN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCCCC1 ZINC000261946324 407683882 /nfs/dbraw/zinc/68/38/82/407683882.db2.gz MHURFMLQKMLFKY-HIFRSBDPSA-N 0 1 303.406 1.074 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000171553463 407705093 /nfs/dbraw/zinc/70/50/93/407705093.db2.gz NAIZHTMQOHHIIV-KBPBESRZSA-N 0 1 319.453 1.680 10 0 DDAEMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116314846 407741664 /nfs/dbraw/zinc/74/16/64/407741664.db2.gz QWQCNBXHJQLIPL-ZNMIVQPWSA-N 0 1 304.438 1.714 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116315887 407744280 /nfs/dbraw/zinc/74/42/80/407744280.db2.gz WZDLEISTDHPEKR-KBPBESRZSA-N 0 1 308.426 1.141 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000262184778 407759950 /nfs/dbraw/zinc/75/99/50/407759950.db2.gz BVGPUMYPJXEHTH-ZDUSSCGKSA-N 0 1 306.341 1.540 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000262206484 407765248 /nfs/dbraw/zinc/76/52/48/407765248.db2.gz DNZDMFHZYCYQDR-ZUZCIYMTSA-N 0 1 320.368 1.471 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCn2cccn2)C[C@H]1CC ZINC000172138145 407806310 /nfs/dbraw/zinc/80/63/10/407806310.db2.gz GDBKKXIQPGWEKM-OAHLLOKOSA-N 0 1 323.441 1.025 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n[nH]1 ZINC000173875394 407899720 /nfs/dbraw/zinc/89/97/20/407899720.db2.gz ITNNGIDRRNLFEE-SWLSCSKDSA-N 0 1 306.410 1.155 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)N(C)C ZINC000134955771 407955859 /nfs/dbraw/zinc/95/58/59/407955859.db2.gz SRQLHZKTZBAELA-ZDUSSCGKSA-N 0 1 313.423 1.727 10 0 DDAEMN C[C@@H]1C[C@H](C(=O)[O-])CN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000263148464 408039668 /nfs/dbraw/zinc/03/96/68/408039668.db2.gz HGLSJAXSNWHYBG-AGIUHOORSA-N 0 1 320.393 1.615 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000174768550 407989874 /nfs/dbraw/zinc/98/98/74/407989874.db2.gz HQNQYXVPNBRAAI-ZDUSSCGKSA-N 0 1 315.377 1.102 10 0 DDAEMN CC[C@@H](CC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)C(C)C ZINC000263015964 408004228 /nfs/dbraw/zinc/00/42/28/408004228.db2.gz ZLEAFBTWCVILFW-UONOGXRCSA-N 0 1 314.426 1.303 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000263226481 408064560 /nfs/dbraw/zinc/06/45/60/408064560.db2.gz GOXCMQRXIABAMF-CMPLNLGQSA-N 0 1 312.439 1.287 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000263236808 408071060 /nfs/dbraw/zinc/07/10/60/408071060.db2.gz JVEQWUPFIJAABU-LBPRGKRZSA-N 0 1 309.366 1.785 10 0 DDAEMN C[C@H](C(=O)NCc1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000246125358 408146635 /nfs/dbraw/zinc/14/66/35/408146635.db2.gz BMFFYIPBTNZVQY-WBVHZDCISA-N 0 1 301.434 1.861 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(F)cc1O)CC2 ZINC000123817033 161810456 /nfs/dbraw/zinc/81/04/56/161810456.db2.gz GDSGFFIHPNQZJC-JTQLQIEISA-N 0 1 304.325 1.430 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccncc3C)CCO2)n[nH]1 ZINC000121226333 408167538 /nfs/dbraw/zinc/16/75/38/408167538.db2.gz YRHWVEZJTJGMDO-GFCCVEGCSA-N 0 1 302.338 1.422 10 0 DDAEMN O=C(C[C@H]1CSCCS1)N1CCN2CCCC[C@H]2C1 ZINC000246200734 408175553 /nfs/dbraw/zinc/17/55/53/408175553.db2.gz PNCFAFJOOWPIGU-STQMWFEESA-N 0 1 300.493 1.922 10 0 DDAEMN CCc1ncsc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000151277093 408288613 /nfs/dbraw/zinc/28/86/13/408288613.db2.gz MOPJKNKBMXYWGT-JTQLQIEISA-N 0 1 307.379 1.346 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000246548690 408289227 /nfs/dbraw/zinc/28/92/27/408289227.db2.gz MMKXIWMLQNBCDN-CQSZACIVSA-N 0 1 323.462 1.394 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)N3CCC(C)CC3)CCO2)n[nH]1 ZINC000246820659 408348896 /nfs/dbraw/zinc/34/88/96/408348896.db2.gz CFZZRBNWQIKNHY-TZMCWYRMSA-N 0 1 321.425 1.133 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CCN1C[C@@H](C)O ZINC000135944125 162113209 /nfs/dbraw/zinc/11/32/09/162113209.db2.gz QETSXMYQTXZUIO-MGPQQGTHSA-N 0 1 320.437 1.133 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)C3C(C)(C)C3(C)C)CCO2)n[nH]1 ZINC000173406872 162337808 /nfs/dbraw/zinc/33/78/08/162337808.db2.gz DIWKVKYYNFCDNZ-SNVBAGLBSA-N 0 1 306.410 1.949 10 0 DDAEMN CCc1nc([C@H]2CN(S(=O)(=O)CCC(C)C)CCO2)n[nH]1 ZINC000173737956 162360008 /nfs/dbraw/zinc/36/00/08/162360008.db2.gz FCSWMWZIBWCHGL-LLVKDONJSA-N 0 1 316.427 1.116 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n[nH]1 ZINC000173754978 162361652 /nfs/dbraw/zinc/36/16/52/162361652.db2.gz LTCMEJWSVVZVIS-CYBMUJFWSA-N 0 1 312.333 1.203 10 0 DDAEMN COc1ccccc1COC[C@H](O)CN1[C@@H](C)COC[C@@H]1C ZINC000247348524 408454787 /nfs/dbraw/zinc/45/47/87/408454787.db2.gz ZJKGCWXTSYUBOF-OFQRWUPVSA-N 0 1 309.406 1.682 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H]2CCCOC2)C[C@@H]1CC ZINC000247113256 408409770 /nfs/dbraw/zinc/40/97/70/408409770.db2.gz NMLNLHGLSNOPTD-GJZGRUSLSA-N 0 1 313.442 1.308 10 0 DDAEMN Cc1ccc2nc(CN3CCN(C[C@H](C)O)[C@@H](C)C3)cn2c1 ZINC000247197158 408426674 /nfs/dbraw/zinc/42/66/74/408426674.db2.gz OROCMNCBXDIKKJ-GJZGRUSLSA-N 0 1 302.422 1.530 10 0 DDAEMN Cc1ccc2nc(CN3CCN(C[C@H](C)O)[C@H](C)C3)cn2c1 ZINC000247197140 408428174 /nfs/dbraw/zinc/42/81/74/408428174.db2.gz OROCMNCBXDIKKJ-CABCVRRESA-N 0 1 302.422 1.530 10 0 DDAEMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247260184 408439336 /nfs/dbraw/zinc/43/93/36/408439336.db2.gz ZVGKNCVTYOFCDY-BZUAXINKSA-N 0 1 309.454 1.182 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191928721 408509100 /nfs/dbraw/zinc/50/91/00/408509100.db2.gz GHTGTIUVGOLDMR-ZDUSSCGKSA-N 0 1 308.403 1.386 10 0 DDAEMN CC(C)S(=O)(=O)CCCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247936738 408517319 /nfs/dbraw/zinc/51/73/19/408517319.db2.gz CPKFZCVXPDVKHD-LSDHHAIUSA-N 0 1 303.468 1.827 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2cccnc2)CCN1C[C@@H](C)O ZINC000184797575 408691784 /nfs/dbraw/zinc/69/17/84/408691784.db2.gz DHZSOJLGZSPPHX-ZBFHGGJFSA-N 0 1 320.437 1.111 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(SC)c2)C1 ZINC000194148038 408769408 /nfs/dbraw/zinc/76/94/08/408769408.db2.gz NBEUUNZAUHUVEC-CYBMUJFWSA-N 0 1 321.446 1.948 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000194156346 408769515 /nfs/dbraw/zinc/76/95/15/408769515.db2.gz XLHDSDJZSXMRRP-GFCCVEGCSA-N 0 1 323.368 1.373 10 0 DDAEMN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000249879282 408770155 /nfs/dbraw/zinc/77/01/55/408770155.db2.gz MUWXZTFQYUOBJO-JKSUJKDBSA-N 0 1 321.465 1.864 10 0 DDAEMN CCCCOCCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000185216031 408781129 /nfs/dbraw/zinc/78/11/29/408781129.db2.gz NPXNWRXKHOKOTC-LSDHHAIUSA-N 0 1 315.458 1.290 10 0 DDAEMN COc1ncccc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000193337851 163253037 /nfs/dbraw/zinc/25/30/37/163253037.db2.gz WWABKHZPYGPJNX-UHFFFAOYSA-N 0 1 315.421 1.532 10 0 DDAEMN O=C(CCNC(=O)c1ccco1)N1CCN2CCCC[C@@H]2C1 ZINC000195097713 163306370 /nfs/dbraw/zinc/30/63/70/163306370.db2.gz BOBYLBMRMHDYIP-CYBMUJFWSA-N 0 1 305.378 1.096 10 0 DDAEMN C[C@H]1CCCN(C(=O)CN2CCC(c3ccnn3C)CC2)C1 ZINC000195502627 163325312 /nfs/dbraw/zinc/32/53/12/163325312.db2.gz BVUKJBZZMOWBGA-AWEZNQCLSA-N 0 1 304.438 1.858 10 0 DDAEMN Cc1cccc(NC[C@@H]2CCN(Cc3nnnn3C(C)C)C2)n1 ZINC000195516350 163325809 /nfs/dbraw/zinc/32/58/09/163325809.db2.gz CIESXWXXKXKEHQ-AWEZNQCLSA-N 0 1 315.425 1.891 10 0 DDAEMN Cc1nc(N2CC[C@](O)(c3c[nH]nn3)C2)ccc1Br ZINC000284463822 409345442 /nfs/dbraw/zinc/34/54/42/409345442.db2.gz HTCOAMKHMZODDU-GFCCVEGCSA-N 0 1 324.182 1.369 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NC(C)(C)CC)CCN1C[C@H](C)O ZINC000247154440 287210277 /nfs/dbraw/zinc/21/02/77/287210277.db2.gz LVCVTHCMFCCEJP-RRFJBIMHSA-N 0 1 313.486 1.457 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000375477809 418646396 /nfs/dbraw/zinc/64/63/96/418646396.db2.gz GLPKQZLKZPDCKQ-WHOFXGATSA-N 0 1 306.410 1.620 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000375477809 418646401 /nfs/dbraw/zinc/64/64/01/418646401.db2.gz GLPKQZLKZPDCKQ-WHOFXGATSA-N 0 1 306.410 1.620 10 0 DDAEMN COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CCCN1C ZINC000299464332 229132037 /nfs/dbraw/zinc/13/20/37/229132037.db2.gz AUKUKEHZSKYKCH-GFCCVEGCSA-N 0 1 308.378 1.423 10 0 DDAEMN O[C@@H](COCc1ccccc1)CN1CCO[C@@H](C(F)F)CC1 ZINC000634750783 422616671 /nfs/dbraw/zinc/61/66/71/422616671.db2.gz DVPXMAPHWRLQNK-HUUCEWRRSA-N 0 1 315.360 1.920 10 0 DDAEMN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000193290820 279642450 /nfs/dbraw/zinc/64/24/50/279642450.db2.gz LWLPURUNBCSOSH-GZMMTYOYSA-N 0 1 306.790 1.885 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000123944466 281181226 /nfs/dbraw/zinc/18/12/26/281181226.db2.gz JUBBCOUMUQOYBV-LBPRGKRZSA-N 0 1 320.817 1.945 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC000247275153 282041771 /nfs/dbraw/zinc/04/17/71/282041771.db2.gz KBAUCRNVSHTTQM-CHWSQXEVSA-N 0 1 316.467 1.046 10 0 DDAEMN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@H]4C3)ccc2O1 ZINC000247558190 282059881 /nfs/dbraw/zinc/05/98/81/282059881.db2.gz RFYMAXAYESFMKU-OCCSQVGLSA-N 0 1 322.430 1.479 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)[C@H]2CCn3ccnc3C2)n[nH]1 ZINC000328676894 293383272 /nfs/dbraw/zinc/38/32/72/293383272.db2.gz LSRFCYKDLQIWJI-QWHCGFSZSA-N 0 1 314.393 1.626 10 0 DDAEMN CCc1noc([C@H](C)N2CCN(CCC3OCCO3)CC2)n1 ZINC000124187369 696739947 /nfs/dbraw/zinc/73/99/47/696739947.db2.gz UOSUQPCIKWUDQM-LBPRGKRZSA-N 0 1 310.398 1.074 10 0 DDAEMN CC(C)COC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000125314078 696751956 /nfs/dbraw/zinc/75/19/56/696751956.db2.gz KUKWSQOYSVVBGV-GOEBONIOSA-N 0 1 320.433 1.863 10 0 DDAEMN COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000171189192 697355451 /nfs/dbraw/zinc/35/54/51/697355451.db2.gz YTCKBYXAUKEMAO-CABCVRRESA-N 0 1 317.389 1.186 10 0 DDAEMN CC[C@@H]1CN(Cn2cc([N+](=O)[O-])c(C)n2)CCN1CCOC ZINC000183337210 697487060 /nfs/dbraw/zinc/48/70/60/697487060.db2.gz CUZXHFBNLDPYEY-CYBMUJFWSA-N 0 1 311.386 1.100 10 0 DDAEMN CO[C@@H](C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190653314 697594522 /nfs/dbraw/zinc/59/45/22/697594522.db2.gz XJDTWICNUISKAY-HOCLYGCPSA-N 0 1 305.422 1.787 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccnc1Cl ZINC000252662328 698403620 /nfs/dbraw/zinc/40/36/20/698403620.db2.gz XMZVHXVIDBKEJX-QWRGUYRKSA-N 0 1 315.826 1.592 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000261737859 698435304 /nfs/dbraw/zinc/43/53/04/698435304.db2.gz NTDKLFHMMYRMNC-NUTKFTJISA-N 0 1 315.417 1.705 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2nc3ccccc3s2)CCO1 ZINC000262188923 698458607 /nfs/dbraw/zinc/45/86/07/698458607.db2.gz YCXYVIPVCGUYJK-LLVKDONJSA-N 0 1 321.402 1.518 10 0 DDAEMN Cc1cccc(C)c1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886079638 708694250 /nfs/dbraw/zinc/69/42/50/708694250.db2.gz GYEJFUZVKKJOQH-SFHVURJKSA-N 0 1 317.433 1.065 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)Cc2ccn[nH]2)C1 ZINC000888103242 709214735 /nfs/dbraw/zinc/21/47/35/709214735.db2.gz RJTJJLIQIUCXJS-OLZOCXBDSA-N 0 1 303.366 1.281 10 0 DDAEMN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000895688427 711578380 /nfs/dbraw/zinc/57/83/80/711578380.db2.gz PSLKCOHFOSEZHL-CZUORRHYSA-N 0 1 313.401 1.558 10 0 DDAEMN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000895688428 711578437 /nfs/dbraw/zinc/57/84/37/711578437.db2.gz PSLKCOHFOSEZHL-XJKSGUPXSA-N 0 1 313.401 1.558 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnccc1N(C)C ZINC000183864171 282104919 /nfs/dbraw/zinc/10/49/19/282104919.db2.gz OMPJFDLMMSOBHL-GFCCVEGCSA-N 0 1 300.366 1.312 10 0 DDAEMN CCOC(=O)N[C@@H]1CCCN(C[C@@H](O)COC(C)(C)C)C1 ZINC000248771201 282107657 /nfs/dbraw/zinc/10/76/57/282107657.db2.gz RDAOFMBIFYXTSJ-CHWSQXEVSA-N 0 1 302.415 1.373 10 0 DDAEMN CCN(CC)CCn1cc(N[C@H](C)CS(C)(=O)=O)cn1 ZINC000081900687 192334899 /nfs/dbraw/zinc/33/48/99/192334899.db2.gz ICKBFFAQRYMWAH-GFCCVEGCSA-N 0 1 302.444 1.070 10 0 DDAEMN N[C@@H](CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000081926455 192339912 /nfs/dbraw/zinc/33/99/12/192339912.db2.gz NIQJLBJRZMLCNE-JTQLQIEISA-N 0 1 311.384 1.951 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCOC)c1cc(C)ccc1OC ZINC000081943482 192344289 /nfs/dbraw/zinc/34/42/89/192344289.db2.gz ADNNEKWPHDNRMO-AWEZNQCLSA-N 0 1 315.435 1.715 10 0 DDAEMN C[C@@H]1CCN(C[C@H](O)COCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249569071 282174827 /nfs/dbraw/zinc/17/48/27/282174827.db2.gz NUNDMVJOSZYMRJ-VNQPRFMTSA-N 0 1 306.406 1.150 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)[C@@H]2CCn3cncc3C2)n[nH]1 ZINC000328667745 231298604 /nfs/dbraw/zinc/29/86/04/231298604.db2.gz DRSYOZFNBFEABM-TZMCWYRMSA-N 0 1 314.393 1.626 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cnn3ncccc23)n[nH]1 ZINC000328674610 231300993 /nfs/dbraw/zinc/30/09/93/231300993.db2.gz JZRFJEHDJPYVMX-CYBMUJFWSA-N 0 1 311.349 1.523 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)CCc2ccnn2C)n[nH]1 ZINC000328745009 231328968 /nfs/dbraw/zinc/32/89/68/231328968.db2.gz PDHUHLUUVCGRIA-CYBMUJFWSA-N 0 1 302.382 1.533 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000087545448 185228145 /nfs/dbraw/zinc/22/81/45/185228145.db2.gz YIAGNCJYIRTYAK-UHFFFAOYSA-N 0 1 319.308 1.950 10 0 DDAEMN CCNCc1nnnn1-c1c(F)cc(Br)cc1F ZINC000088172793 185240955 /nfs/dbraw/zinc/24/09/55/185240955.db2.gz FQAUILCIJXRKJW-UHFFFAOYSA-N 0 1 318.125 1.813 10 0 DDAEMN CC(C)Cc1nnc(NC(=O)CN[C@@H](C)[C@@H]2CCCO2)s1 ZINC000183130812 539240935 /nfs/dbraw/zinc/24/09/35/539240935.db2.gz AEGJGQPFBSRVFR-QWRGUYRKSA-N 0 1 312.439 1.832 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000183636829 539242783 /nfs/dbraw/zinc/24/27/83/539242783.db2.gz DHFITXDODOOHHM-CQSZACIVSA-N 0 1 311.813 1.947 10 0 DDAEMN C[C@H](O)C[N@@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C ZINC000246259200 539269858 /nfs/dbraw/zinc/26/98/58/539269858.db2.gz UMWWZHWKSQHXAD-UWVGGRQHSA-N 0 1 314.332 1.198 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1C ZINC000246259200 539269859 /nfs/dbraw/zinc/26/98/59/539269859.db2.gz UMWWZHWKSQHXAD-UWVGGRQHSA-N 0 1 314.332 1.198 10 0 DDAEMN CCOc1ccc([C@H](CS(=O)(=O)CCCOC)NC)cc1 ZINC000081986277 192349238 /nfs/dbraw/zinc/34/92/38/192349238.db2.gz ACSABXFHRYYTJJ-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN CN[C@@H](CS(=O)(=O)C(C)C)c1ccc(OC)c(OC)c1 ZINC000081980374 192349927 /nfs/dbraw/zinc/34/99/27/192349927.db2.gz SWQXJPFQRCNBIL-LBPRGKRZSA-N 0 1 301.408 1.788 10 0 DDAEMN CC[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]nc2CO)CC1 ZINC000088902376 185270617 /nfs/dbraw/zinc/27/06/17/185270617.db2.gz RHOHTOASZLRBAK-NSHDSACASA-N 0 1 301.412 1.411 10 0 DDAEMN CNCc1cn(CCS(=O)(=O)c2ccc(Cl)cc2)nn1 ZINC000090295858 185289841 /nfs/dbraw/zinc/28/98/41/185289841.db2.gz NRAYYVHCTSBLSS-UHFFFAOYSA-N 0 1 314.798 1.125 10 0 DDAEMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1csc(CN)c1 ZINC000092344044 185313314 /nfs/dbraw/zinc/31/33/14/185313314.db2.gz UCYNADKUYNOZDO-MRVPVSSYSA-N 0 1 315.420 1.851 10 0 DDAEMN CNc1ccnc(CN2C(=O)N[C@](C)(C(F)(F)F)C2=O)c1 ZINC000092419871 185317273 /nfs/dbraw/zinc/31/72/73/185317273.db2.gz XDGIGLABJNENGX-NSHDSACASA-N 0 1 302.256 1.496 10 0 DDAEMN C[C@H](O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000092666780 185332550 /nfs/dbraw/zinc/33/25/50/185332550.db2.gz AZBHTXYKJLTSGR-JSGCOSHPSA-N 0 1 312.435 1.455 10 0 DDAEMN C[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)[N@@H+](C)CCC(=O)[O-] ZINC000071665326 191002222 /nfs/dbraw/zinc/00/22/22/191002222.db2.gz XXLAEUWUHWETPE-SECBINFHSA-N 0 1 305.334 1.802 10 0 DDAEMN CC(C)n1nccc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000173237342 198199858 /nfs/dbraw/zinc/19/98/58/198199858.db2.gz IGOZLGSDOADILW-QWHCGFSZSA-N 0 1 309.414 1.383 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cccc(OC)c3)CCO2)n[nH]1 ZINC000173581765 198229830 /nfs/dbraw/zinc/22/98/30/198229830.db2.gz UFCWURJTRDAJHQ-CYBMUJFWSA-N 0 1 316.361 1.589 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccncc3)C2=O)n(C)n1 ZINC000174343730 198322044 /nfs/dbraw/zinc/32/20/44/198322044.db2.gz SBCGEPNPEAPBIP-UKRRQHHQSA-N 0 1 313.405 1.970 10 0 DDAEMN CN1CCN(C(=O)c2cccc3n[nH]cc32)C[C@H]1c1ncc[nH]1 ZINC000328628187 354551614 /nfs/dbraw/zinc/55/16/14/354551614.db2.gz NMBJFZHNORIKBX-AWEZNQCLSA-N 0 1 310.361 1.415 10 0 DDAEMN O=c1cc(CN[C@H]2CCC[NH2+]C2)nc(-c2ccccc2F)[n-]1 ZINC000073696069 191342353 /nfs/dbraw/zinc/34/23/53/191342353.db2.gz ATHWMMYKJGCEPS-NSHDSACASA-N 0 1 302.353 1.418 10 0 DDAEMN COC(=O)C1=CC(CO)=COc2oc3cccc(O)c3c(=O)c21 ZINC000005605515 181263240 /nfs/dbraw/zinc/26/32/40/181263240.db2.gz LJNGMSGIOXTZLN-UHFFFAOYSA-N 0 1 316.265 1.324 10 0 in-vivo DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2cn(C)cn2)n1 ZINC000080869173 192197505 /nfs/dbraw/zinc/19/75/05/192197505.db2.gz KZLQDSZVIBLHFP-MRVPVSSYSA-N 0 1 315.424 1.348 10 0 DDAEMN CSc1nccn1-c1ccc(C(=O)N2CCNCC2)cc1 ZINC000237291920 202220707 /nfs/dbraw/zinc/22/07/07/202220707.db2.gz WWCVZPSSXALQRO-UHFFFAOYSA-N 0 1 302.403 1.640 10 0 DDAEMN CC(C)N[C@](CSC[C@@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258881 193027610 /nfs/dbraw/zinc/02/76/10/193027610.db2.gz DLQHBHLOYLFSDH-BBRMVZONSA-N 0 1 310.463 1.727 10 0 DDAEMN O=C(C[C@H]1COCCN1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000262245727 203239869 /nfs/dbraw/zinc/23/98/69/203239869.db2.gz SAZSCLFWRMWUMI-WMZOPIPTSA-N 0 1 318.417 1.337 10 0 DDAEMN C[C@@H]([NH3+])Cc1nc([O-])c(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000093163879 193209476 /nfs/dbraw/zinc/20/94/76/193209476.db2.gz ASDJZYVRYGGKCO-SSDOTTSWSA-N 0 1 324.178 1.795 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@@H](n2nc(C)c(Br)c2C)C1 ZINC000093833797 193314463 /nfs/dbraw/zinc/31/44/63/193314463.db2.gz KFDVSLUZFDUSQK-SKDRFNHKSA-N 0 1 316.199 1.858 10 0 DDAEMN Cc1cc(C)c(C(N)=O)c(N[C@@](C)(C(=O)[O-])C(F)(F)F)[nH+]1 ZINC000094222004 193350792 /nfs/dbraw/zinc/35/07/92/193350792.db2.gz VBGGJKPXNPSJQE-NSHDSACASA-N 0 1 305.256 1.615 10 0 DDAEMN CCc1ccc(S(=O)(=O)N[C@H]2CCCN(CC)C2)cc1N ZINC000040501925 183083467 /nfs/dbraw/zinc/08/34/67/183083467.db2.gz YLJPGJSYUJMFCC-ZDUSSCGKSA-N 0 1 311.451 1.594 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1 ZINC000041071063 183162616 /nfs/dbraw/zinc/16/26/16/183162616.db2.gz MLQQODHSLOOSCJ-UHFFFAOYSA-N 0 1 305.363 1.052 10 0 DDAEMN COc1cccc([C@H](Sc2nc(N)cc(=O)[n-]2)[C@H](C)[NH3+])c1 ZINC000043033096 183331433 /nfs/dbraw/zinc/33/14/33/183331433.db2.gz CCAVDFUAJCXYCO-ISVAXAHUSA-N 0 1 306.391 1.541 10 0 DDAEMN O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1CNCCO1 ZINC000043709398 183382771 /nfs/dbraw/zinc/38/27/71/183382771.db2.gz XPWVIYXKDADCJX-ZDUSSCGKSA-N 0 1 306.753 1.453 10 0 DDAEMN O=C(NCCCNc1ccccn1)N1CCN2CCCC[C@@H]2C1 ZINC000105142961 194078792 /nfs/dbraw/zinc/07/87/92/194078792.db2.gz POQJGAPNTIJCTQ-OAHLLOKOSA-N 0 1 317.437 1.763 10 0 DDAEMN O=C(CCc1cccc(F)c1F)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000284891467 218224377 /nfs/dbraw/zinc/22/43/77/218224377.db2.gz TVJCBJWJUNIVTH-OAHLLOKOSA-N 0 1 322.315 1.136 10 0 DDAEMN O[C@H](CN1CCN(CCn2cccn2)CC1)c1ccccc1 ZINC000105818999 194136150 /nfs/dbraw/zinc/13/61/50/194136150.db2.gz INJZAYRNEVTYGR-QGZVFWFLSA-N 0 1 300.406 1.234 10 0 DDAEMN CCCCNC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802662 194132204 /nfs/dbraw/zinc/13/22/04/194132204.db2.gz KOLXRQYUZXEMNE-CQSZACIVSA-N 0 1 305.426 1.294 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccc(C)cc2)CCN1CCOC ZINC000105836012 194142280 /nfs/dbraw/zinc/14/22/80/194142280.db2.gz OUDWOFFIPGJOHL-KRWDZBQOSA-N 0 1 319.449 1.976 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 ZINC000105883933 194157527 /nfs/dbraw/zinc/15/75/27/194157527.db2.gz ACNZPWJRACRUKJ-KBPBESRZSA-N 0 1 307.442 1.683 10 0 DDAEMN CCCC[C@@H](C(=O)OC)N1CCN(CCOCC)[C@H](C)C1 ZINC000105914051 194168843 /nfs/dbraw/zinc/16/88/43/194168843.db2.gz HCRNANXEIZONOT-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1cccc([C@@H](C)O)c1 ZINC000049231778 183720786 /nfs/dbraw/zinc/72/07/86/183720786.db2.gz PXXNXTPVHGKSIF-IUODEOHRSA-N 0 1 314.451 1.604 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(N)c2)C1 ZINC000062965303 184263061 /nfs/dbraw/zinc/26/30/61/184263061.db2.gz CJHAXHRUSIESCH-SECBINFHSA-N 0 1 303.815 1.247 10 0 DDAEMN CNc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062984651 184264699 /nfs/dbraw/zinc/26/46/99/184264699.db2.gz DCANYHDANIUGMI-CYBMUJFWSA-N 0 1 309.435 1.587 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)Nc1ccc(OCC)cc1)N(C)C ZINC000119708726 195023390 /nfs/dbraw/zinc/02/33/90/195023390.db2.gz FZUMWTJHOCZAAG-HNNXBMFYSA-N 0 1 321.421 1.870 10 0 DDAEMN OCCN(Cc1cccnc1)C[C@@H](O)COCc1ccccc1 ZINC000156764728 197138639 /nfs/dbraw/zinc/13/86/39/197138639.db2.gz SZGHLRSJTWCPOO-GOSISDBHSA-N 0 1 316.401 1.454 10 0 DDAEMN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccco2)O1 ZINC000248037433 257110954 /nfs/dbraw/zinc/11/09/54/257110954.db2.gz UYLYEJAGIZKMGP-JYJNAYRXSA-N 0 1 322.405 1.506 10 0 DDAEMN C[C@H](NC(=O)NCCN1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000121995828 195388471 /nfs/dbraw/zinc/38/84/71/195388471.db2.gz ILIOTGKBTFLAPZ-YOEHRIQHSA-N 0 1 317.433 1.911 10 0 DDAEMN CSCC[C@H]([NH3+])C(=O)OCc1ccc(OCC(=O)[O-])cc1 ZINC000222849800 407561213 /nfs/dbraw/zinc/56/12/13/407561213.db2.gz CKMRGFLIXULMTP-LBPRGKRZSA-N 0 1 313.375 1.274 10 0 DDAEMN CC1(C)S[C@H](CNC(=O)Cc2ccccc2)[NH2+][C@@H]1C(=O)[O-] ZINC000001639579 406674455 /nfs/dbraw/zinc/67/44/55/406674455.db2.gz LRWFMQCGNBOTQP-CHWSQXEVSA-N 0 1 308.403 1.240 10 0 DDAEMN NC[C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 ZINC000008037364 406777181 /nfs/dbraw/zinc/77/71/81/406777181.db2.gz QUUKYIGWCXNAPU-GFCCVEGCSA-N 0 1 311.384 1.951 10 0 DDAEMN COC(=O)CCNC(=O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000102688048 407326064 /nfs/dbraw/zinc/32/60/64/407326064.db2.gz WVJVEWQXGKOHMO-SECBINFHSA-N 0 1 300.305 1.295 10 0 DDAEMN C[C@@H]1CCCN(C(=O)CN2CCC(Cn3cccn3)CC2)C1 ZINC000105886505 407356404 /nfs/dbraw/zinc/35/64/04/407356404.db2.gz UPOITSHSXCPIID-OAHLLOKOSA-N 0 1 304.438 1.854 10 0 DDAEMN CCc1nn(C)c(CC)c1CN1CCN(C[C@@H](O)CC)CC1 ZINC000123627692 407334868 /nfs/dbraw/zinc/33/48/68/407334868.db2.gz KAMSQCBGQHWUNP-AWEZNQCLSA-N 0 1 308.470 1.433 10 0 DDAEMN COC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106907170 407366083 /nfs/dbraw/zinc/36/60/83/407366083.db2.gz FUPRJJYGHOFZMP-ZFWWWQNUSA-N 0 1 306.406 1.427 10 0 DDAEMN Cc1noc(CCNC(=O)[C@H](Cc2ccccc2)N(C)C)n1 ZINC000106912731 407366304 /nfs/dbraw/zinc/36/63/04/407366304.db2.gz HLENGWYVFDVZPB-AWEZNQCLSA-N 0 1 302.378 1.210 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000127224207 407431492 /nfs/dbraw/zinc/43/14/92/407431492.db2.gz SOVSSOCSJWZWAX-ZDUSSCGKSA-N 0 1 322.405 1.966 10 0 DDAEMN CCCC[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1cc(C)on1 ZINC000112548637 407431919 /nfs/dbraw/zinc/43/19/19/407431919.db2.gz LSZWOXSSQKHWGC-KGLIPLIRSA-N 0 1 324.425 1.401 10 0 DDAEMN COC(=O)c1cc(CN2CC[C@H](N3CCOCC3)C2)c(C)s1 ZINC000151728172 407486494 /nfs/dbraw/zinc/48/64/94/407486494.db2.gz NYAVIUWZXCMSLV-AWEZNQCLSA-N 0 1 324.446 1.750 10 0 DDAEMN O=C1CCCN1C[C@@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186216082 407610732 /nfs/dbraw/zinc/61/07/32/407610732.db2.gz HNLFGEITZIIIMK-HNNXBMFYSA-N 0 1 300.402 1.517 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000115462784 407684560 /nfs/dbraw/zinc/68/45/60/407684560.db2.gz XTNFEYYUIRHOHE-CQSZACIVSA-N 0 1 306.406 1.617 10 0 DDAEMN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(F)cc1O)CC2 ZINC000179002970 407688695 /nfs/dbraw/zinc/68/86/95/407688695.db2.gz NPWWGUNFOKDHNH-LLVKDONJSA-N 0 1 318.352 1.991 10 0 DDAEMN COc1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1O ZINC000171638578 407729798 /nfs/dbraw/zinc/72/97/98/407729798.db2.gz MQIABUBGGDYETO-CQSZACIVSA-N 0 1 319.405 1.781 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000186677884 407741041 /nfs/dbraw/zinc/74/10/41/407741041.db2.gz WLQRCXYBISNGDA-UHFFFAOYSA-N 0 1 313.442 1.116 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116313589 407742530 /nfs/dbraw/zinc/74/25/30/407742530.db2.gz WTCBMJGMKDJMOH-INIZCTEOSA-N 0 1 312.417 1.868 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168701 407757105 /nfs/dbraw/zinc/75/71/05/407757105.db2.gz ANYKVZDFMVTMHV-HZMBPMFUSA-N 0 1 310.369 1.765 10 0 DDAEMN COc1cc(C)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1C ZINC000171771053 407763254 /nfs/dbraw/zinc/76/32/54/407763254.db2.gz WXCAYIPTEKZRCN-CQSZACIVSA-N 0 1 324.446 1.781 10 0 DDAEMN CCOc1cccc(CNC(=O)[C@H](N)COC)c1OC(F)F ZINC000262300411 407787805 /nfs/dbraw/zinc/78/78/05/407787805.db2.gz NWCOFOGSFDSONI-SNVBAGLBSA-N 0 1 318.320 1.277 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000262341651 407805669 /nfs/dbraw/zinc/80/56/69/407805669.db2.gz FPTOEPFPCGAFKW-NSHDSACASA-N 0 1 313.785 1.089 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000262346019 407806882 /nfs/dbraw/zinc/80/68/82/407806882.db2.gz TXNUZNYUPKKKCR-LBPRGKRZSA-N 0 1 312.391 1.005 10 0 DDAEMN CCOCCN1CCN(C(=O)NCC2(C)COC2)C[C@H]1CC ZINC000117050326 407809980 /nfs/dbraw/zinc/80/99/80/407809980.db2.gz CWXYOLGGQYQGRK-CQSZACIVSA-N 0 1 313.442 1.165 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Br)cc1Cl ZINC000262388079 407820481 /nfs/dbraw/zinc/82/04/81/407820481.db2.gz YOBSDYCMGUIREC-SNVBAGLBSA-N 0 1 321.602 1.692 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccccc2O)CCN1CCOC ZINC000117299613 407828092 /nfs/dbraw/zinc/82/80/92/407828092.db2.gz OUYXETSURGOOAT-INIZCTEOSA-N 0 1 320.433 1.894 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134480379 407900841 /nfs/dbraw/zinc/90/08/41/407900841.db2.gz HUIVHPXRTQFOFJ-ZWNOBZJWSA-N 0 1 300.366 1.381 10 0 DDAEMN CC[C@H](C)CS(=O)(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262896967 407963963 /nfs/dbraw/zinc/96/39/63/407963963.db2.gz AYDOYNLPOBNYAK-QWHCGFSZSA-N 0 1 320.455 1.233 10 0 DDAEMN CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262953493 407983266 /nfs/dbraw/zinc/98/32/66/407983266.db2.gz JYXPOPGKGVYJMF-HBNTYKKESA-N 0 1 324.343 1.732 10 0 DDAEMN Cc1cccc(C)c1CN1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262929926 407974517 /nfs/dbraw/zinc/97/45/17/407974517.db2.gz SPYLLMXMPTXTDD-HNNXBMFYSA-N 0 1 306.406 1.521 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000174096512 407914753 /nfs/dbraw/zinc/91/47/53/407914753.db2.gz IKNXQISMGXYUFU-CVEARBPZSA-N 0 1 313.486 1.409 10 0 DDAEMN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000188284313 407930288 /nfs/dbraw/zinc/93/02/88/407930288.db2.gz WDOMVBUBRZZZDX-SECBINFHSA-N 0 1 304.350 1.760 10 0 DDAEMN C[NH+](C)C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000181693831 408028291 /nfs/dbraw/zinc/02/82/91/408028291.db2.gz LSAXSLKKZZMLIE-QGZVFWFLSA-N 0 1 309.429 1.520 10 0 DDAEMN CCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nnc[nH]2)C1 ZINC000181364392 407986532 /nfs/dbraw/zinc/98/65/32/407986532.db2.gz BCMGGNJHJPIKLT-OLZOCXBDSA-N 0 1 319.409 1.507 10 0 DDAEMN CCOCCN1CCN([C@H]2CCN(C(C)C)C2=O)C[C@H]1CC ZINC000245461793 407990182 /nfs/dbraw/zinc/99/01/82/407990182.db2.gz GCKCRWLQJSMZJE-CVEARBPZSA-N 0 1 311.470 1.428 10 0 DDAEMN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C(F)(F)F ZINC000263049575 408011273 /nfs/dbraw/zinc/01/12/73/408011273.db2.gz ULEUDIBLYHCZLK-GHMZBOCLSA-N 0 1 316.279 1.820 10 0 DDAEMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C(F)(F)F ZINC000263049575 408011277 /nfs/dbraw/zinc/01/12/77/408011277.db2.gz ULEUDIBLYHCZLK-GHMZBOCLSA-N 0 1 316.279 1.820 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000189587736 408060973 /nfs/dbraw/zinc/06/09/73/408060973.db2.gz IBWMYDYUGDDTFM-LLVKDONJSA-N 0 1 320.817 1.945 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)[nH]1 ZINC000245764054 408065476 /nfs/dbraw/zinc/06/54/76/408065476.db2.gz QHSLKVCSFKBYTD-GUYCJALGSA-N 0 1 305.422 1.844 10 0 DDAEMN COc1ccsc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245992129 408115417 /nfs/dbraw/zinc/11/54/17/408115417.db2.gz GMAYLZLYTIUGMU-GHMZBOCLSA-N 0 1 318.464 1.764 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000175748905 408194574 /nfs/dbraw/zinc/19/45/74/408194574.db2.gz BYXITSWKBYFZQK-AWEZNQCLSA-N 0 1 315.373 1.168 10 0 DDAEMN CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)nn1 ZINC000189919592 408136133 /nfs/dbraw/zinc/13/61/33/408136133.db2.gz MILNJZLXKQLQJB-LLVKDONJSA-N 0 1 303.370 1.519 10 0 DDAEMN CCCc1cccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000263519324 408161582 /nfs/dbraw/zinc/16/15/82/408161582.db2.gz QGAAQELVYIZVSF-KRWDZBQOSA-N 0 1 320.433 1.856 10 0 DDAEMN CC(=O)NC1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000190450574 408247715 /nfs/dbraw/zinc/24/77/15/408247715.db2.gz BCMPWZQBPOAUDV-UHFFFAOYSA-N 0 1 318.764 1.691 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246309472 408215329 /nfs/dbraw/zinc/21/53/29/408215329.db2.gz CJQQFSOVJAOEKT-KBRIMQKVSA-N 0 1 308.397 1.512 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000246307394 408216525 /nfs/dbraw/zinc/21/65/25/408216525.db2.gz ADTHVBYPHNCHPN-HZPDHXFCSA-N 0 1 322.453 1.760 10 0 DDAEMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCN2CCCC[C@H]2C1 ZINC000246350227 408227898 /nfs/dbraw/zinc/22/78/98/408227898.db2.gz IZBFIGSHYQYCHI-JONQDZQNSA-N 0 1 307.438 1.824 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246540423 408287336 /nfs/dbraw/zinc/28/73/36/408287336.db2.gz SQGBYDRGMCFVKX-ILXRZTDVSA-N 0 1 311.470 1.332 10 0 DDAEMN COc1ccccc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246815478 408347069 /nfs/dbraw/zinc/34/70/69/408347069.db2.gz BZIHEKVFWZNNNB-CHWSQXEVSA-N 0 1 312.435 1.702 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3cccc(Cl)c3)CCO2)n[nH]1 ZINC000173528801 162345465 /nfs/dbraw/zinc/34/54/65/162345465.db2.gz BZUAFERTOYVVBS-ZDUSSCGKSA-N 0 1 320.780 1.909 10 0 DDAEMN COc1ccccc1CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173518266 162345864 /nfs/dbraw/zinc/34/58/64/162345864.db2.gz AXVUKNBYEHTZET-CQSZACIVSA-N 0 1 316.361 1.264 10 0 DDAEMN CCOc1ncccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173549065 162346977 /nfs/dbraw/zinc/34/69/77/162346977.db2.gz CTKWYYKNWPFYQU-LBPRGKRZSA-N 0 1 317.349 1.121 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173533902 162347811 /nfs/dbraw/zinc/34/78/11/162347811.db2.gz TZJFMFGBJYUXGJ-CQSZACIVSA-N 0 1 318.352 1.785 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc4cc[nH]c43)CCO2)n[nH]1 ZINC000173601483 162350463 /nfs/dbraw/zinc/35/04/63/162350463.db2.gz DGYZNGVAQNBBQR-CYBMUJFWSA-N 0 1 311.345 1.808 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)CCO2)n[nH]1 ZINC000173612409 162350490 /nfs/dbraw/zinc/35/04/90/162350490.db2.gz AQQJAKVDQMCZIC-STQMWFEESA-N 0 1 321.425 1.141 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CCO2)n[nH]1 ZINC000173612409 162350491 /nfs/dbraw/zinc/35/04/91/162350491.db2.gz AQQJAKVDQMCZIC-STQMWFEESA-N 0 1 321.425 1.141 10 0 DDAEMN COc1ccccc1OCCN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173668382 162354720 /nfs/dbraw/zinc/35/47/20/162354720.db2.gz NLPZIAGPOZSLPD-OAHLLOKOSA-N 0 1 318.377 1.574 10 0 DDAEMN CCN(C(=O)CN1CC[C@@H](N2CCOCC2)C1)C1CCCCC1 ZINC000173924756 162378133 /nfs/dbraw/zinc/37/81/33/162378133.db2.gz FLFAEEDVRNMRKT-QGZVFWFLSA-N 0 1 323.481 1.574 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C)c(F)cc3F)CCO2)n[nH]1 ZINC000176504431 408381596 /nfs/dbraw/zinc/38/15/96/408381596.db2.gz FISSLIYCXGSVHY-CYBMUJFWSA-N 0 1 322.315 1.913 10 0 DDAEMN CCOCCN1CCN([C@H](C)C(=O)N[C@@H](C)CC)C[C@@H]1CC ZINC000247109187 408408257 /nfs/dbraw/zinc/40/82/57/408408257.db2.gz IWXHASWNLNSWCD-XHSDSOJGSA-N 0 1 313.486 1.722 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccccc3F)CCO2)n[nH]1 ZINC000175297980 162463101 /nfs/dbraw/zinc/46/31/01/162463101.db2.gz ZBUNNDUYUHDERO-ZDUSSCGKSA-N 0 1 319.340 1.535 10 0 DDAEMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000247234546 408432743 /nfs/dbraw/zinc/43/27/43/408432743.db2.gz MUYVOSSMFMSYPQ-QWRGUYRKSA-N 0 1 315.826 1.592 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191928711 408510708 /nfs/dbraw/zinc/51/07/08/408510708.db2.gz GHTGTIUVGOLDMR-CYBMUJFWSA-N 0 1 308.403 1.386 10 0 DDAEMN COC(=O)C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000177125267 408527742 /nfs/dbraw/zinc/52/77/42/408527742.db2.gz RZMKUALYWQTPSY-GFCCVEGCSA-N 0 1 302.334 1.158 10 0 DDAEMN Cc1ccccc1CCNC(=O)CN1CCN2CCCC[C@H]2C1 ZINC000248367875 408552747 /nfs/dbraw/zinc/55/27/47/408552747.db2.gz UOHRPSKKJVVKDE-SFHVURJKSA-N 0 1 315.461 1.824 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccncc3F)CCO2)n[nH]1 ZINC000184131367 408554309 /nfs/dbraw/zinc/55/43/09/408554309.db2.gz YJHRINZDBANPKN-LLVKDONJSA-N 0 1 320.328 1.507 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ncccc2C)CCN1C[C@H](C)O ZINC000248493273 408575718 /nfs/dbraw/zinc/57/57/18/408575718.db2.gz PBFURMHADYXNRC-GJZGRUSLSA-N 0 1 320.437 1.377 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000248620615 408599758 /nfs/dbraw/zinc/59/97/58/408599758.db2.gz MWLGGPPHJOSASD-KBXIAJHMSA-N 0 1 311.470 1.908 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCCCC(C)C)CCO2)n[nH]1 ZINC000177931349 408740770 /nfs/dbraw/zinc/74/07/70/408740770.db2.gz XTPWWYVLHFTPSM-LBPRGKRZSA-N 0 1 309.414 1.886 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccoc3)CCO2)n[nH]1 ZINC000177997198 408752389 /nfs/dbraw/zinc/75/23/89/408752389.db2.gz JBGLNEIBKUWCNS-LLVKDONJSA-N 0 1 305.338 1.243 10 0 DDAEMN Cn1c(Cl)cnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000276326123 408836126 /nfs/dbraw/zinc/83/61/26/408836126.db2.gz PVWUZRPPBFOOIG-NWDGAFQWSA-N 0 1 324.816 1.431 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000187680272 163026808 /nfs/dbraw/zinc/02/68/08/163026808.db2.gz GCUVJTIEVCRBHL-NSHDSACASA-N 0 1 311.386 1.011 10 0 DDAEMN CCOc1ccc(NC(=O)CCN2CCCNC(=O)[C@H]2C)cc1 ZINC000189292832 163093166 /nfs/dbraw/zinc/09/31/66/163093166.db2.gz YFOWKBSPYJHCNM-CYBMUJFWSA-N 0 1 319.405 1.624 10 0 DDAEMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2CNC(=O)C2)[nH]1 ZINC000194877139 163299166 /nfs/dbraw/zinc/29/91/66/163299166.db2.gz JBCWZRAWPHQOEI-JTQLQIEISA-N 0 1 313.361 1.670 10 0 DDAEMN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000195447322 163322277 /nfs/dbraw/zinc/32/22/77/163322277.db2.gz OFUCCWMSZVYZPW-CVEARBPZSA-N 0 1 319.449 1.332 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000262248967 163792594 /nfs/dbraw/zinc/79/25/94/163792594.db2.gz ILTCVGPPQBODSJ-DOTOQJQBSA-N 0 1 313.401 1.764 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)cc2)CCN1C[C@@H](C)O ZINC000492611754 287121887 /nfs/dbraw/zinc/12/18/87/287121887.db2.gz JTONIWHASQURCM-YRPJOXRESA-N 0 1 318.417 1.709 10 0 DDAEMN Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccoc2)CCCN1C ZINC000583619646 422206384 /nfs/dbraw/zinc/20/63/84/422206384.db2.gz SYMCALLNGAJUKP-SWLSCSKDSA-N 0 1 302.378 1.826 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630676339 422263112 /nfs/dbraw/zinc/26/31/12/422263112.db2.gz WUEYGYACCIBEON-FAAHXZRKSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630676339 422263117 /nfs/dbraw/zinc/26/31/17/422263117.db2.gz WUEYGYACCIBEON-FAAHXZRKSA-N 0 1 302.374 1.629 10 0 DDAEMN CCN(C)[C@@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000112661844 276077200 /nfs/dbraw/zinc/07/72/00/276077200.db2.gz BJSJVMNADLWKDG-GDBMZVCRSA-N 0 1 313.405 1.402 10 0 DDAEMN CC(=O)N1CC[C@@H](C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)C1 ZINC000328748654 277001303 /nfs/dbraw/zinc/00/13/03/277001303.db2.gz QOTJQVQBZCQEJW-OLZOCXBDSA-N 0 1 305.382 1.035 10 0 DDAEMN COC(=O)C1=NOC2(C1)CCN(Cc1nccn1C(C)C)CC2 ZINC000161359309 277311541 /nfs/dbraw/zinc/31/15/41/277311541.db2.gz CNLMXEUHMHDWDP-UHFFFAOYSA-N 0 1 320.393 1.748 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C)[C@H](C)C2)C1 ZINC000262953830 279058776 /nfs/dbraw/zinc/05/87/76/279058776.db2.gz BCBGRAHLPGXNLD-MRFVTOPCSA-N 0 1 311.426 1.611 10 0 DDAEMN CN(C)CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000121944588 282058089 /nfs/dbraw/zinc/05/80/89/282058089.db2.gz MUPGBKKASSMMAA-RWMBFGLXSA-N 0 1 311.426 1.310 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369084004 301129776 /nfs/dbraw/zinc/12/97/76/301129776.db2.gz KUEVCCWAFDQGFH-VHSXEESVSA-N 0 1 314.336 1.702 10 0 DDAEMN OCCN1CCN(CCCC2=N[C@H](c3ccccc3)NO2)CC1 ZINC000584620899 337374778 /nfs/dbraw/zinc/37/47/78/337374778.db2.gz OZRPJJJAWHVAGT-KRWDZBQOSA-N 0 1 318.421 1.009 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@](C)(O)c2ccccc2)C[C@@H]1C ZINC000105835588 696625057 /nfs/dbraw/zinc/62/50/57/696625057.db2.gz HAIBVLVNRJMMOD-WMZOPIPTSA-N 0 1 306.450 1.937 10 0 DDAEMN COCC[N@H+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000105833840 696625204 /nfs/dbraw/zinc/62/52/04/696625204.db2.gz DQDWDBQWGRQKPC-WBMJQRKESA-N 0 1 314.376 1.651 10 0 DDAEMN COCCN1CCN(C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000105833840 696625206 /nfs/dbraw/zinc/62/52/06/696625206.db2.gz DQDWDBQWGRQKPC-WBMJQRKESA-N 0 1 314.376 1.651 10 0 DDAEMN CC[C@@H]1CC(=O)N(CN2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000119343544 696679730 /nfs/dbraw/zinc/67/97/30/696679730.db2.gz RVMJFDCQFHOPHD-CVEARBPZSA-N 0 1 319.453 1.823 10 0 DDAEMN CC(C)(C)n1cc(CN2CCN(CCC3OCCO3)CC2)cn1 ZINC000124188797 696739990 /nfs/dbraw/zinc/73/99/90/696739990.db2.gz HKANPKGBHYTZPA-UHFFFAOYSA-N 0 1 322.453 1.519 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000174091586 697383981 /nfs/dbraw/zinc/38/39/81/697383981.db2.gz OTEVHZCQUCIGSP-CJNGLKHVSA-N 0 1 314.376 1.387 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000183634918 697490970 /nfs/dbraw/zinc/49/09/70/697490970.db2.gz NEOIBZQKFQLIIO-GUBZILKMSA-N 0 1 310.316 1.325 10 0 DDAEMN O=C(Cc1[nH]nc2c1CCCC2)N1CCN2CCCC[C@@H]2C1 ZINC000188352898 697557713 /nfs/dbraw/zinc/55/77/13/697557713.db2.gz SIAFLYQWZOJMPT-CYBMUJFWSA-N 0 1 302.422 1.528 10 0 DDAEMN C[C@@H](NCC(=O)N1CCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192482003 697630339 /nfs/dbraw/zinc/63/03/39/697630339.db2.gz PALRXXQFJUIAJC-CHWSQXEVSA-N 0 1 320.389 1.356 10 0 DDAEMN C[C@H](NCC(=O)N1CCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000192481987 697630407 /nfs/dbraw/zinc/63/04/07/697630407.db2.gz PALRXXQFJUIAJC-OLZOCXBDSA-N 0 1 320.389 1.356 10 0 DDAEMN CO[N-]C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000248647673 698377279 /nfs/dbraw/zinc/37/72/79/698377279.db2.gz IQNABNTZEZNUJX-VXGBXAGGSA-N 0 1 302.296 1.975 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000262372208 698466559 /nfs/dbraw/zinc/46/65/59/698466559.db2.gz WVYUKCFBAFMWEJ-AWEZNQCLSA-N 0 1 308.378 1.465 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000074731591 185014281 /nfs/dbraw/zinc/01/42/81/185014281.db2.gz FEHJRWHPNGPNGV-UHFFFAOYSA-N 0 1 314.128 1.551 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248607310 282093591 /nfs/dbraw/zinc/09/35/91/282093591.db2.gz KEFREVPAFIZUCA-QKGCVVFFSA-N 0 1 313.442 1.039 10 0 DDAEMN C[C@H]1COC[C@H](C)N1C(=O)CSc1n[nH]c(=S)s1 ZINC000081826283 192329270 /nfs/dbraw/zinc/32/92/70/192329270.db2.gz IDJGFNSVOSHMBH-BQBZGAKWSA-N 0 1 305.450 1.555 10 0 DDAEMN N[C@H](CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000081926457 192339468 /nfs/dbraw/zinc/33/94/68/192339468.db2.gz NIQJLBJRZMLCNE-SNVBAGLBSA-N 0 1 311.384 1.951 10 0 DDAEMN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ncc[nH]1)c1ccccc1 ZINC000078820436 185115497 /nfs/dbraw/zinc/11/54/97/185115497.db2.gz DDNKWTLISQEJRR-QWRGUYRKSA-N 0 1 307.375 1.449 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCOC)c1ccc(OC)cc1 ZINC000081945162 192345777 /nfs/dbraw/zinc/34/57/77/192345777.db2.gz VEUCTEDBESMRSQ-CQSZACIVSA-N 0 1 301.408 1.407 10 0 DDAEMN CCn1cnnc1C1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000328645453 231281301 /nfs/dbraw/zinc/28/13/01/231281301.db2.gz GWZFYADHIKRKFJ-AWEZNQCLSA-N 0 1 303.410 1.241 10 0 DDAEMN O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000328686431 231306084 /nfs/dbraw/zinc/30/60/84/231306084.db2.gz YFKCRWXZYBPYIQ-LSDHHAIUSA-N 0 1 323.437 1.456 10 0 DDAEMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2C)c1S(N)(=O)=O ZINC000087891972 185234873 /nfs/dbraw/zinc/23/48/73/185234873.db2.gz AAVHACKERUMKFS-VIFPVBQESA-N 0 1 314.411 1.195 10 0 DDAEMN CCCc1cc(C(=O)N2CCOC[C@H]2c2nc(C)no2)n[nH]1 ZINC000183762671 539243508 /nfs/dbraw/zinc/24/35/08/539243508.db2.gz WQHKEGXYELLGRK-LBPRGKRZSA-N 0 1 305.338 1.267 10 0 DDAEMN CCN[C@H]1c2ccccc2C[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081975395 192348640 /nfs/dbraw/zinc/34/86/40/192348640.db2.gz GNISECVODCNOTB-HIFRSBDPSA-N 0 1 311.403 1.240 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCCO[C@@H](C)C2)o1 ZINC000088544552 185256992 /nfs/dbraw/zinc/25/69/92/185256992.db2.gz JUCIFRDWKAZDNT-NSHDSACASA-N 0 1 302.396 1.189 10 0 DDAEMN C[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(CN)o1 ZINC000088550686 185257328 /nfs/dbraw/zinc/25/73/28/185257328.db2.gz AKPGNDQYAYNLGF-JTQLQIEISA-N 0 1 312.366 1.787 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)n[nH]1 ZINC000190048421 539254685 /nfs/dbraw/zinc/25/46/85/539254685.db2.gz MXGYUMRWLYBFHY-AAEUAGOBSA-N 0 1 319.365 1.656 10 0 DDAEMN COC[C@@H]1CCN(S(=O)(=O)c2ccc(CNC(C)C)o2)C1 ZINC000088551394 185257515 /nfs/dbraw/zinc/25/75/15/185257515.db2.gz HWFPHEIWCVMSHC-GFCCVEGCSA-N 0 1 316.423 1.435 10 0 DDAEMN CCOCCN1CCN(CCO[C@@H]2CCCCO2)C[C@H]1C ZINC000253355132 282215324 /nfs/dbraw/zinc/21/53/24/282215324.db2.gz LKFABCYBTZSWMC-HZPDHXFCSA-N 0 1 300.443 1.572 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(CC(C)C)CC(C)C ZINC000088885961 185269045 /nfs/dbraw/zinc/26/90/45/185269045.db2.gz MILQWCNHHBIDCW-UHFFFAOYSA-N 0 1 303.428 1.513 10 0 DDAEMN CC(C)(C)[C@H](N)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000081990769 192351121 /nfs/dbraw/zinc/35/11/21/192351121.db2.gz GVQXZKSZARNINQ-GFCCVEGCSA-N 0 1 319.448 1.237 10 0 DDAEMN C[C@](O)(CO)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000090288503 185289562 /nfs/dbraw/zinc/28/95/62/185289562.db2.gz PCFBSOIHJPXMJW-GFCCVEGCSA-N 0 1 307.177 1.265 10 0 DDAEMN CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccccc1 ZINC000090700280 185310592 /nfs/dbraw/zinc/31/05/92/185310592.db2.gz YJSLZXBTYSIAKI-CYBMUJFWSA-N 0 1 314.476 1.744 10 0 DDAEMN COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092388724 185315170 /nfs/dbraw/zinc/31/51/70/185315170.db2.gz OGODUDMNASTJDS-HUUCEWRRSA-N 0 1 313.419 1.461 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000092671198 185332869 /nfs/dbraw/zinc/33/28/69/185332869.db2.gz SWMAUDZKAWIEGV-VIFPVBQESA-N 0 1 318.830 1.032 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(F)c(N)c1 ZINC000092621837 185330082 /nfs/dbraw/zinc/33/00/82/185330082.db2.gz HMNFYQVJSSBTMK-SNVBAGLBSA-N 0 1 301.387 1.123 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627833 185330308 /nfs/dbraw/zinc/33/03/08/185330308.db2.gz BBIQWOUDRSCMAT-NSHDSACASA-N 0 1 317.842 1.840 10 0 DDAEMN CCCCN(CC(F)(F)F)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780519 185340095 /nfs/dbraw/zinc/34/00/95/185340095.db2.gz XKUPQWFRPOFCKN-SNVBAGLBSA-N 0 1 304.316 1.615 10 0 DDAEMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000092924522 185349609 /nfs/dbraw/zinc/34/96/09/185349609.db2.gz VOGAGOITSRHQEK-ZYHUDNBSSA-N 0 1 308.403 1.428 10 0 DDAEMN CNC(=O)CN1CCC(CN(C)c2ncncc2Cl)CC1 ZINC000302680497 529861535 /nfs/dbraw/zinc/86/15/35/529861535.db2.gz WOXRYHQJEANLSR-UHFFFAOYSA-N 0 1 311.817 1.024 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1ccccc1Br ZINC000149091030 186047707 /nfs/dbraw/zinc/04/77/07/186047707.db2.gz KFVNSZAQUYSMNH-KWQFWETISA-N 0 1 301.184 1.600 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174173140 198302034 /nfs/dbraw/zinc/30/20/34/198302034.db2.gz NSOPGBDPWASANL-WDEREUQCSA-N 0 1 323.397 1.457 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCc2ccccn2)CCN1CCOC ZINC000117301422 353993261 /nfs/dbraw/zinc/99/32/61/353993261.db2.gz QFPVEQJRWCUFSR-QGZVFWFLSA-N 0 1 319.449 1.974 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000080868228 192196686 /nfs/dbraw/zinc/19/66/86/192196686.db2.gz KTIMCHKNIQCFAI-IUCAKERBSA-N 0 1 305.425 1.344 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)NCC1(C)CCCC1 ZINC000089037785 192713752 /nfs/dbraw/zinc/71/37/52/192713752.db2.gz OLAXTUBVTJEQKX-UHFFFAOYSA-N 0 1 314.455 1.686 10 0 DDAEMN O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237714255 202337027 /nfs/dbraw/zinc/33/70/27/202337027.db2.gz LLWNWWRGBWDQNC-FXQIFTODSA-N 0 1 303.288 1.683 10 0 DDAEMN O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1CNCCO1 ZINC000237840231 202367198 /nfs/dbraw/zinc/36/71/98/202367198.db2.gz RZGLGEMXRVHPKQ-LBPRGKRZSA-N 0 1 303.189 1.641 10 0 DDAEMN COC(=O)[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000195082278 201336754 /nfs/dbraw/zinc/33/67/54/201336754.db2.gz LQBZFHNHNYQWDT-AWEZNQCLSA-N 0 1 310.313 1.602 10 0 DDAEMN CNCc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)ccc1F ZINC000092113775 193161301 /nfs/dbraw/zinc/16/13/01/193161301.db2.gz RRHQLSCMGNXDGW-PHIMTYICSA-N 0 1 300.399 1.822 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+]2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000094638359 193387674 /nfs/dbraw/zinc/38/76/74/193387674.db2.gz OAKSETRRPAMGFA-YNEHKIRRSA-N 0 1 303.424 1.671 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)cs1 ZINC000094457290 193371999 /nfs/dbraw/zinc/37/19/99/193371999.db2.gz YGHLASZMPXYAEG-MWLCHTKSSA-N 0 1 301.437 1.188 10 0 DDAEMN Cc1nc(C)c([C@@H](C)NCc2cn(C)c(=O)n(C)c2=O)s1 ZINC000040517986 183089986 /nfs/dbraw/zinc/08/99/86/183089986.db2.gz OAMQJMFLYIZSOS-MRVPVSSYSA-N 0 1 308.407 1.008 10 0 DDAEMN Nc1cc(S(=O)(=O)NCCN2CCCCCC2)ccc1O ZINC000040767137 183131852 /nfs/dbraw/zinc/13/18/52/183131852.db2.gz NHUPBMLZOGHRMF-UHFFFAOYSA-N 0 1 313.423 1.129 10 0 DDAEMN CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(CN)s2)C1 ZINC000042425732 183268827 /nfs/dbraw/zinc/26/88/27/183268827.db2.gz SSIREZFOZVYDHM-SNVBAGLBSA-N 0 1 304.437 1.396 10 0 DDAEMN C[C@H](C[N@@H+](C)CC(=O)Nc1ncc(Cl)cc1Cl)C(=O)[O-] ZINC000042705591 183299681 /nfs/dbraw/zinc/29/96/81/183299681.db2.gz JHAIJAFDJSCECD-SSDOTTSWSA-N 0 1 320.176 1.979 10 0 DDAEMN CCc1nccn1[C@H]1CCCN(CC(=O)NCCCOC)C1 ZINC000105922608 194170741 /nfs/dbraw/zinc/17/07/41/194170741.db2.gz RDBTXJOUTYKFIN-AWEZNQCLSA-N 0 1 308.426 1.235 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@@H](O)C(C)(C)C ZINC000638277761 422796148 /nfs/dbraw/zinc/79/61/48/422796148.db2.gz CLXNWNNWCRNPLT-NWANDNLSSA-N 0 1 308.422 1.442 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000109457938 194265737 /nfs/dbraw/zinc/26/57/37/194265737.db2.gz VFXUECMSGXRFEL-NSHDSACASA-N 0 1 309.410 1.187 10 0 DDAEMN O=C1CC[C@H](NCc2cc(F)ccc2Br)CN1 ZINC000111020161 194384378 /nfs/dbraw/zinc/38/43/78/194384378.db2.gz CPURSWZTOWQLPQ-JTQLQIEISA-N 0 1 301.159 1.956 10 0 DDAEMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NC1CC1 ZINC000157747979 197212623 /nfs/dbraw/zinc/21/26/23/197212623.db2.gz MUUDNZMOZDHUQG-QWRGUYRKSA-N 0 1 310.419 1.408 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3C[C@H]3C)n2)cc1 ZINC000120599601 195198394 /nfs/dbraw/zinc/19/83/94/195198394.db2.gz QSPRUDCDSZWUSL-SKDRFNHKSA-N 0 1 301.350 1.688 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)N[C@H]3C[C@H]3C)n[nH]2)cc1 ZINC000120599601 195198396 /nfs/dbraw/zinc/19/83/96/195198396.db2.gz QSPRUDCDSZWUSL-SKDRFNHKSA-N 0 1 301.350 1.688 10 0 DDAEMN CC(C)[N@@H+](C)[C@@H]1CN(c2ncc(F)cn2)C[C@H]2CCCO[C@@H]21 ZINC000503716183 257209880 /nfs/dbraw/zinc/20/98/80/257209880.db2.gz DSCUMUKVCULUBS-YUELXQCFSA-N 0 1 308.401 1.940 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)Nc3ccncc3)CC2)CCO1 ZINC000098022597 407304580 /nfs/dbraw/zinc/30/45/80/407304580.db2.gz SPYZILUYEKBKTI-ZDUSSCGKSA-N 0 1 304.394 1.799 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000123624163 407335098 /nfs/dbraw/zinc/33/50/98/407335098.db2.gz CSAFHBBDVPLHGT-QGZVFWFLSA-N 0 1 314.433 1.965 10 0 DDAEMN CC(C)(C)OC[C@@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106936031 407367991 /nfs/dbraw/zinc/36/79/91/407367991.db2.gz GFCFMNKPRZQXFU-STQMWFEESA-N 0 1 316.442 1.761 10 0 DDAEMN CCCS(=O)(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109344939 407397875 /nfs/dbraw/zinc/39/78/75/407397875.db2.gz SJNGPTYKDIYUDO-UHFFFAOYSA-N 0 1 314.455 1.019 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C3(OC)CCCCC3)CCO2)n[nH]1 ZINC000185553367 407452061 /nfs/dbraw/zinc/45/20/61/407452061.db2.gz HIEBFRCITPRWED-LBPRGKRZSA-N 0 1 322.409 1.616 10 0 DDAEMN Cc1cc2oc(=O)cc(CN3C[C@H](O)C[C@@H]3CO)c2cc1C ZINC000179176130 407743759 /nfs/dbraw/zinc/74/37/59/407743759.db2.gz PJSKSDNCFNSZTJ-ZIAGYGMSSA-N 0 1 303.358 1.337 10 0 DDAEMN COC[C@H](N)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000262220269 407770634 /nfs/dbraw/zinc/77/06/34/407770634.db2.gz FQEDIKBAJBWDHT-LBPRGKRZSA-N 0 1 315.211 1.424 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000262238024 407771391 /nfs/dbraw/zinc/77/13/91/407771391.db2.gz HNBPWPNCRMONRX-OLZOCXBDSA-N 0 1 316.760 1.353 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 ZINC000262261701 407779621 /nfs/dbraw/zinc/77/96/21/407779621.db2.gz JKYYFHHDOPIUGK-KRWDZBQOSA-N 0 1 313.401 1.893 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccnn2C)C[C@@H]1CC ZINC000117033566 407807278 /nfs/dbraw/zinc/80/72/78/407807278.db2.gz KQFLLARWNARQLH-AWEZNQCLSA-N 0 1 323.441 1.062 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000262351283 407808330 /nfs/dbraw/zinc/80/83/30/407808330.db2.gz UMQDVAVXFOSUOK-VIFPVBQESA-N 0 1 312.782 1.771 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2)CCN1CCOC ZINC000117399319 407833121 /nfs/dbraw/zinc/83/31/21/407833121.db2.gz BCMXWSRMBCZNCC-INIZCTEOSA-N 0 1 305.422 1.939 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCSC)CCN1CCOC ZINC000153491909 407835350 /nfs/dbraw/zinc/83/53/50/407835350.db2.gz IJZXORWHJZSOED-ZDUSSCGKSA-N 0 1 303.472 1.492 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)[nH]n1 ZINC000173558444 407888654 /nfs/dbraw/zinc/88/86/54/407888654.db2.gz JKNQRGHVCSHFHL-LBPRGKRZSA-N 0 1 318.381 1.256 10 0 DDAEMN CSC[C@@H](C)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262684068 407901738 /nfs/dbraw/zinc/90/17/38/407901738.db2.gz BOJRCTXYSRHCEI-QFWMXSHPSA-N 0 1 314.451 1.429 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[C@H](N2CCOCC2)C1 ZINC000173922779 407903249 /nfs/dbraw/zinc/90/32/49/407903249.db2.gz JHXGRGKPBRSUAA-BBWFWOEESA-N 0 1 323.481 1.573 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@H]2CCCS2)C1 ZINC000262720717 407908947 /nfs/dbraw/zinc/90/89/47/407908947.db2.gz PRIGWEBQIYRSCZ-WXRRBKDZSA-N 0 1 312.435 1.326 10 0 DDAEMN CN(C(=O)CN1CC[C@@H](N2CCOCC2)C1)C1CCCCC1 ZINC000173955650 407909483 /nfs/dbraw/zinc/90/94/83/407909483.db2.gz QUUSUUQKCJARAB-MRXNPFEDSA-N 0 1 309.454 1.184 10 0 DDAEMN CN(CC[N@H+]1CCCN(C(N)=O)CC1)Cc1ccc(F)cc1 ZINC000181675421 408027418 /nfs/dbraw/zinc/02/74/18/408027418.db2.gz ZWLHVPGJVYRUCV-UHFFFAOYSA-N 0 1 308.401 1.344 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccnc3c2c(C)nn3C)C1 ZINC000263137673 408035407 /nfs/dbraw/zinc/03/54/07/408035407.db2.gz GJCGRPSFVKUHIX-UHFFFAOYSA-N 0 1 317.393 1.626 10 0 DDAEMN C[S@](=O)c1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000181386496 407989475 /nfs/dbraw/zinc/98/94/75/407989475.db2.gz WRHWLFQICSFFGS-XMHCIUCPSA-N 0 1 318.402 1.910 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccccc3C)CCO2)n[nH]1 ZINC000175314092 408104819 /nfs/dbraw/zinc/10/48/19/408104819.db2.gz VLIJEYICTYDCRM-CQSZACIVSA-N 0 1 315.377 1.705 10 0 DDAEMN CCN(CC)[C@H](CNC(=O)N1CC(NC(C)=O)C1)c1ccco1 ZINC000189957540 408137878 /nfs/dbraw/zinc/13/78/78/408137878.db2.gz XTTGEQRBRFLNNX-CQSZACIVSA-N 0 1 322.409 1.192 10 0 DDAEMN COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182372739 408138076 /nfs/dbraw/zinc/13/80/76/408138076.db2.gz GPBKKOLAQLEPIT-HNNXBMFYSA-N 0 1 323.441 1.615 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000263491554 408154479 /nfs/dbraw/zinc/15/44/79/408154479.db2.gz RKGWXNIRSTYHLB-BPNZPQAUSA-N 0 1 309.410 1.221 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000263502846 408159245 /nfs/dbraw/zinc/15/92/45/408159245.db2.gz LFPUOBGIHUBLTJ-WOMSROEHSA-N 0 1 322.380 1.556 10 0 DDAEMN CCOCCN1CCN(Cc2noc(COC)n2)C[C@H]1CC ZINC000182441599 408159421 /nfs/dbraw/zinc/15/94/21/408159421.db2.gz OCDPDTURFVUYTD-CYBMUJFWSA-N 0 1 312.414 1.149 10 0 DDAEMN CC[C@H]1CN(CCOc2cccc(OC)c2)CC[N@H+]1C[C@H](C)O ZINC000246480992 408269915 /nfs/dbraw/zinc/26/99/15/408269915.db2.gz ADGYSWAECNYSHT-HOTGVXAUSA-N 0 1 322.449 1.851 10 0 DDAEMN C[C@@H](N[C@@H](CO)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000182928384 408286311 /nfs/dbraw/zinc/28/63/11/408286311.db2.gz ZXLGFJNTIHPGCT-YPMHNXCESA-N 0 1 307.394 1.322 10 0 DDAEMN CN(C[C@H](O)COC(C)(C)C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246545702 408288546 /nfs/dbraw/zinc/28/85/46/408288546.db2.gz KCNVWEYALNIQOL-IHRRRGAJSA-N 0 1 321.483 1.450 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C ZINC000246617517 408302960 /nfs/dbraw/zinc/30/29/60/408302960.db2.gz CVMUZLMMXCCUFS-OLZOCXBDSA-N 0 1 310.825 1.796 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000246635748 408305914 /nfs/dbraw/zinc/30/59/14/408305914.db2.gz TYCKMRSCZQKPSZ-GXTWGEPZSA-N 0 1 324.446 1.687 10 0 DDAEMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246855253 408355748 /nfs/dbraw/zinc/35/57/48/408355748.db2.gz FGDXNVJNKOZSJE-TWMKSMIVSA-N 0 1 323.481 1.476 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@H]3CC3(Cl)Cl)CCO2)n[nH]1 ZINC000173516078 162345675 /nfs/dbraw/zinc/34/56/75/162345675.db2.gz SNWINXHUFNNZJN-HTQZYQBOSA-N 0 1 305.165 1.207 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)c(C)c3)CCO2)n[nH]1 ZINC000173547779 162347038 /nfs/dbraw/zinc/34/70/38/162347038.db2.gz JOGZYCIQSGDEKA-ZDUSSCGKSA-N 0 1 304.325 1.774 10 0 DDAEMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173991246 162385324 /nfs/dbraw/zinc/38/53/24/162385324.db2.gz CQLPNLJKEASGGK-IKGGRYGDSA-N 0 1 323.481 1.430 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(=O)OC)co2)CCN1C[C@H](C)O ZINC000247097461 408407261 /nfs/dbraw/zinc/40/72/61/408407261.db2.gz HYPAXRAMFJAQGT-GXTWGEPZSA-N 0 1 310.394 1.343 10 0 DDAEMN C[C@H](O)CN1CCN([C@H](C(=O)N(C)C)c2ccccc2)C[C@@H]1C ZINC000247112977 408409231 /nfs/dbraw/zinc/40/92/31/408409231.db2.gz JBFBYFZLBCEHLQ-ZOBUZTSGSA-N 0 1 319.449 1.203 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)CCN1C[C@@H](C)O ZINC000247123460 408412103 /nfs/dbraw/zinc/41/21/03/408412103.db2.gz JVDHLCFIZQKRSU-BZUAXINKSA-N 0 1 313.486 1.314 10 0 DDAEMN Cc1noc([C@@H]2COCCN2C(=O)c2[nH]nc3ccccc32)n1 ZINC000183759324 408482952 /nfs/dbraw/zinc/48/29/52/408482952.db2.gz FLPGGASMSKFTJC-LBPRGKRZSA-N 0 1 313.317 1.468 10 0 DDAEMN Cc1cnc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000176961293 408484486 /nfs/dbraw/zinc/48/44/86/408484486.db2.gz NMMJYEVNZKRVGQ-VIFPVBQESA-N 0 1 308.367 1.483 10 0 DDAEMN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCCCC1)N1CCN(C)CC1 ZINC000247515731 408486176 /nfs/dbraw/zinc/48/61/76/408486176.db2.gz WAIHHBFPWWPAQP-HYVNUMGLSA-N 0 1 307.482 1.955 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnccc1N(C)C)CC2 ZINC000183662555 408464784 /nfs/dbraw/zinc/46/47/84/408464784.db2.gz ASAAKSSVGRRCQP-NSHDSACASA-N 0 1 314.393 1.046 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@H](C)OC)C[C@@H]1CC ZINC000248414201 408560888 /nfs/dbraw/zinc/56/08/88/408560888.db2.gz GTHSYKTVQNMNEY-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1nn[nH]n1 ZINC000248426837 408563697 /nfs/dbraw/zinc/56/36/97/408563697.db2.gz MANGGUANISGKLY-MIMYLULJSA-N 0 1 321.331 1.844 10 0 DDAEMN CCC[C@H](C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)N(C)C ZINC000162121942 408671764 /nfs/dbraw/zinc/67/17/64/408671764.db2.gz WYIWOLTULMHNKR-DZGCQCFKSA-N 0 1 321.396 1.778 10 0 DDAEMN CSc1ccccc1S(=O)(=O)N1CCN2CCC[C@H]2C1 ZINC000249064516 408683828 /nfs/dbraw/zinc/68/38/28/408683828.db2.gz HYKSGEHSPVUPLD-LBPRGKRZSA-N 0 1 312.460 1.877 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)NC3CCCCC3)CCO2)n[nH]1 ZINC000252465298 408795917 /nfs/dbraw/zinc/79/59/17/408795917.db2.gz PVXMQAJPVLLLPT-BXUZGUMPSA-N 0 1 321.425 1.324 10 0 DDAEMN CCc1nnc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)n1C ZINC000249853721 408770718 /nfs/dbraw/zinc/77/07/18/408770718.db2.gz CNSMTOUTEXULIE-SOUVJXGZSA-N 0 1 321.469 1.451 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)c3nc(C)cc(=O)[nH]3)CCO2)n[nH]1 ZINC000192605003 163229212 /nfs/dbraw/zinc/22/92/12/163229212.db2.gz XNXZNASCBRIENV-KOLCDFICSA-N 0 1 304.354 1.052 10 0 DDAEMN Cc1sc(=O)n(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1C ZINC000195046479 163304091 /nfs/dbraw/zinc/30/40/91/163304091.db2.gz JDJULBQARLQFSR-CYBMUJFWSA-N 0 1 309.435 1.223 10 0 DDAEMN Cc1sc(=O)n(CC(=O)N2CCN3CCCC[C@@H]3C2)c1C ZINC000195046479 163304094 /nfs/dbraw/zinc/30/40/94/163304094.db2.gz JDJULBQARLQFSR-CYBMUJFWSA-N 0 1 309.435 1.223 10 0 DDAEMN COc1cccc(OCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000195041488 163304205 /nfs/dbraw/zinc/30/42/05/163304205.db2.gz JWKQCXPFDKYMKR-CQSZACIVSA-N 0 1 304.390 1.771 10 0 DDAEMN COc1cccc(OCC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195041488 163304206 /nfs/dbraw/zinc/30/42/06/163304206.db2.gz JWKQCXPFDKYMKR-CQSZACIVSA-N 0 1 304.390 1.771 10 0 DDAEMN CSC1(CNC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000195149319 163308830 /nfs/dbraw/zinc/30/88/30/163308830.db2.gz VPHQETLFPINFTO-JTQLQIEISA-N 0 1 311.411 1.092 10 0 DDAEMN CCN(C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263483366 163973597 /nfs/dbraw/zinc/97/35/97/163973597.db2.gz LQEIXKVQQPNNRY-UHFFFAOYSA-N 0 1 311.426 1.754 10 0 DDAEMN COc1cc(CCNC(=O)[C@@H]2C[C@H](OC)CN2C)ccc1C ZINC000345170621 409656531 /nfs/dbraw/zinc/65/65/31/409656531.db2.gz PUQQCDKTWRXEJR-GJZGRUSLSA-N 0 1 306.406 1.381 10 0 DDAEMN CCN1CCN(c2cc(CNc3cc(C)ncn3)ccn2)CC1 ZINC000301224224 410679446 /nfs/dbraw/zinc/67/94/46/410679446.db2.gz CIUDWKDOBGBWSQ-UHFFFAOYSA-N 0 1 312.421 1.934 10 0 DDAEMN CC(C)C(=O)NCCN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000128871181 195999116 /nfs/dbraw/zinc/99/91/16/195999116.db2.gz HBLKYJOPUFHCEP-MRXNPFEDSA-N 0 1 319.449 1.390 10 0 DDAEMN CCc1nc([C@H]2CN(c3cc(C)nc(COC)n3)CCO2)n[nH]1 ZINC000131685659 196191327 /nfs/dbraw/zinc/19/13/27/196191327.db2.gz LOUJZJVFNFLLSL-LLVKDONJSA-N 0 1 318.381 1.190 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)CCO2)n[nH]1 ZINC000365498510 418868286 /nfs/dbraw/zinc/86/82/86/418868286.db2.gz OYECRRPYYICEDS-FRRDWIJNSA-N 0 1 308.382 1.074 10 0 DDAEMN Cc1nc(C)n(C[C@H]2CCCN(c3ccncc3C(N)=O)C2)n1 ZINC000302016208 230036284 /nfs/dbraw/zinc/03/62/84/230036284.db2.gz FQEVANKLQGORDH-ZDUSSCGKSA-N 0 1 314.393 1.305 10 0 DDAEMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CC(=O)[O-] ZINC000635521451 422070480 /nfs/dbraw/zinc/07/04/80/422070480.db2.gz RMOSTAFISJKJTK-ZFWWWQNUSA-N 0 1 319.405 1.481 10 0 DDAEMN O=C(c1ccc(-c2ccccc2)[nH]1)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000583619101 422205857 /nfs/dbraw/zinc/20/58/57/422205857.db2.gz DHQAAOGZKYRVMO-KRWDZBQOSA-N 0 1 323.356 1.534 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2C[C@@H]2c2cccnc2)C1 ZINC000583621742 422207584 /nfs/dbraw/zinc/20/75/84/422207584.db2.gz FGZMEAHMGIBFON-CVSAEHQPSA-N 0 1 317.389 1.239 10 0 DDAEMN COC[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262308837 274050066 /nfs/dbraw/zinc/05/00/66/274050066.db2.gz OUHPXIZGSCHBPJ-PMPSAXMXSA-N 0 1 306.406 1.553 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248427226 276292281 /nfs/dbraw/zinc/29/22/81/276292281.db2.gz OSDLHQUPJXSTJF-JYJNAYRXSA-N 0 1 312.454 1.617 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)CC(=O)[O-])n1 ZINC000263430367 277842018 /nfs/dbraw/zinc/84/20/18/277842018.db2.gz SNINTLWFCOHFPH-FZMZJTMJSA-N 0 1 308.382 1.613 10 0 DDAEMN CN(C[C@H](O)COC(C)(C)C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125833108 281217642 /nfs/dbraw/zinc/21/76/42/281217642.db2.gz KCNVWEYALNIQOL-MJBXVCDLSA-N 0 1 321.483 1.450 10 0 DDAEMN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000127191524 281267533 /nfs/dbraw/zinc/26/75/33/281267533.db2.gz YGEOIRIXLIIINN-NSHDSACASA-N 0 1 302.827 1.973 10 0 DDAEMN C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000246737443 282011070 /nfs/dbraw/zinc/01/10/70/282011070.db2.gz GZOJSHSRDASFHU-GARJFASQSA-N 0 1 323.397 1.675 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@H]2CCCO2)C[C@H]1CC ZINC000247086749 282033650 /nfs/dbraw/zinc/03/36/50/282033650.db2.gz LTOWTOCLMRXQHF-HUUCEWRRSA-N 0 1 313.442 1.308 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369084002 301129645 /nfs/dbraw/zinc/12/96/45/301129645.db2.gz KUEVCCWAFDQGFH-NXEZZACHSA-N 0 1 314.336 1.702 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)CCN1C ZINC000369521008 301192521 /nfs/dbraw/zinc/19/25/21/301192521.db2.gz RZMXTROOFUZXAC-AWEZNQCLSA-N 0 1 324.388 1.425 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179553851 697438875 /nfs/dbraw/zinc/43/88/75/697438875.db2.gz AGLAIUHWHBNRQZ-JTQLQIEISA-N 0 1 310.785 1.274 10 0 DDAEMN COCCN1CCN(CN2C(=O)C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000246977010 698358561 /nfs/dbraw/zinc/35/85/61/698358561.db2.gz FHUDEBUECGZEIG-DOTOQJQBSA-N 0 1 317.433 1.570 10 0 DDAEMN CCCCOC(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247012127 698359489 /nfs/dbraw/zinc/35/94/89/698359489.db2.gz UFWITMVHXIZAKJ-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCc2c(Br)cccc2C1 ZINC000262219128 698459915 /nfs/dbraw/zinc/45/99/15/698459915.db2.gz FMTRBJNJOXHHSM-GFCCVEGCSA-N 0 1 313.195 1.308 10 0 DDAEMN O=C([O-])[C@@H]1CCCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000263389548 698504249 /nfs/dbraw/zinc/50/42/49/698504249.db2.gz FUKIGZUAVYYTTJ-VXGBXAGGSA-N 0 1 306.366 1.369 10 0 DDAEMN Cc1cnc(C)c(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263562501 698513990 /nfs/dbraw/zinc/51/39/90/698513990.db2.gz SQDQMFCHIIYMNZ-UHFFFAOYSA-N 0 1 304.394 1.833 10 0 DDAEMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000309688641 698666001 /nfs/dbraw/zinc/66/60/01/698666001.db2.gz UFLLYFLPYZIUKD-FUHWJXTLSA-N 0 1 321.417 1.997 10 0 DDAEMN Cc1nc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]c1C ZINC000709006902 699251267 /nfs/dbraw/zinc/25/12/67/699251267.db2.gz XEBOHJHZSQZPGY-CHWSQXEVSA-N 0 1 324.425 1.344 10 0 DDAEMN CCn1nc(C)c(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)n1 ZINC000858299675 704691386 /nfs/dbraw/zinc/69/13/86/704691386.db2.gz BOUBDUYFMPZKOZ-SWLSCSKDSA-N 0 1 304.398 1.587 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(Cc3cocn3)C2)ccn1 ZINC000886068765 708691757 /nfs/dbraw/zinc/69/17/57/708691757.db2.gz PWVNGAQAGYVINU-MRXNPFEDSA-N 0 1 302.378 1.785 10 0 DDAEMN O=C(CCC[C@@H](O)c1ccccc1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900392454 709572221 /nfs/dbraw/zinc/57/22/21/709572221.db2.gz ZBLGKOLXBQEAND-ZIAGYGMSSA-N 0 1 315.377 1.767 10 0 DDAEMN C[C@H](O)[C@H](O)CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000930277422 713791711 /nfs/dbraw/zinc/79/17/11/713791711.db2.gz XNPDDESEYWWLOD-DUBDDPSESA-N 0 1 319.323 1.555 10 0 DDAEMN Cc1csc2nc(C)nc(N3C[C@H]4OCCN(C)[C@@H]4C3)c12 ZINC000127198038 719461274 /nfs/dbraw/zinc/46/12/74/719461274.db2.gz JQQJCDCNTJYZNX-VXGBXAGGSA-N 0 1 304.419 1.827 10 0 DDAEMN COc1ccc(OC)c([C@H]([NH3+])CSc2nccc(=O)[n-]2)c1 ZINC000081774391 192322256 /nfs/dbraw/zinc/32/22/56/192322256.db2.gz DWLWRNZNPBMPLU-LLVKDONJSA-N 0 1 307.375 1.992 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(SC)CC2)CCN1C[C@H](C)O ZINC000248646015 282096014 /nfs/dbraw/zinc/09/60/14/282096014.db2.gz GVSAPUJCLRNABH-QWHCGFSZSA-N 0 1 315.483 1.369 10 0 DDAEMN CC[C@H]1CN(C(=O)c2c[nH]nc2C(C)C)CCN1C[C@H](C)O ZINC000248842979 282110979 /nfs/dbraw/zinc/11/09/79/282110979.db2.gz RTOYUSFJAQPSGT-STQMWFEESA-N 0 1 308.426 1.450 10 0 DDAEMN CN1CCO[C@H](CNCc2sccc2Br)C1 ZINC000082462982 185185003 /nfs/dbraw/zinc/18/50/03/185185003.db2.gz MOCIXERPYNZPOO-SECBINFHSA-N 0 1 305.241 1.931 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCOC)c1ccc(OC(C)C)cc1 ZINC000081945135 192346222 /nfs/dbraw/zinc/34/62/22/192346222.db2.gz XFCLEJNUTPYAQZ-HNNXBMFYSA-N 0 1 315.435 1.796 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000249769692 282195095 /nfs/dbraw/zinc/19/50/95/282195095.db2.gz RFPQZMKIMFBZAD-DZGCQCFKSA-N 0 1 318.421 1.797 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000081977618 192348054 /nfs/dbraw/zinc/34/80/54/192348054.db2.gz LWSOCYBMIZEMBO-QMTHXVAHSA-N 0 1 315.391 1.061 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)COc3cccnc3)CC2)CCO1 ZINC000328911319 231384153 /nfs/dbraw/zinc/38/41/53/231384153.db2.gz OCKGQBVIMYBQME-AWEZNQCLSA-N 0 1 319.405 1.172 10 0 DDAEMN NCc1c(F)cccc1S(=O)(=O)NCC(C1CC1)C1CC1 ZINC000088455562 185251588 /nfs/dbraw/zinc/25/15/88/185251588.db2.gz CONRUKLNFOASHP-UHFFFAOYSA-N 0 1 312.410 1.999 10 0 DDAEMN COc1ccc(Cl)cc1NS(=O)(=O)[C@@H](C)C(N)=S ZINC000088487072 185253498 /nfs/dbraw/zinc/25/34/98/185253498.db2.gz ALBFNCVBWVPWMU-LURJTMIESA-N 0 1 308.812 1.765 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2CCN(C(C)(C)C)CC2)o1 ZINC000088544364 185256747 /nfs/dbraw/zinc/25/67/47/185256747.db2.gz ZCFTXFJQPLPMBI-UHFFFAOYSA-N 0 1 315.439 1.104 10 0 DDAEMN CN1CCCC[C@@H]1CNC(=O)c1sc2nccnc2c1N ZINC000088642404 185261305 /nfs/dbraw/zinc/26/13/05/185261305.db2.gz VAAMWGOYHGIBLE-SECBINFHSA-N 0 1 305.407 1.488 10 0 DDAEMN CCOC(=O)[C@@H]1CNCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000088659787 185261669 /nfs/dbraw/zinc/26/16/69/185261669.db2.gz LZMRFQOFFUGONL-NSHDSACASA-N 0 1 312.753 1.023 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000245920446 539268872 /nfs/dbraw/zinc/26/88/72/539268872.db2.gz XOWDGKOAJJFOKS-SCRDCRAPSA-N 0 1 309.410 1.746 10 0 DDAEMN C[C@@H]1CN(C(=O)c2cnc[nH]2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000623173636 365697960 /nfs/dbraw/zinc/69/79/60/365697960.db2.gz ZLBAFHLDWSDOTK-LDYMZIIASA-N 0 1 303.322 1.272 10 0 DDAEMN CN[C@H](C[S@](=O)CCCOC)c1ccc(OC)cc1OC ZINC000081999614 192352883 /nfs/dbraw/zinc/35/28/83/192352883.db2.gz BQGPQIAFKPZTJX-SZNDQCEHSA-N 0 1 315.435 1.750 10 0 DDAEMN CCC[N@@H+](CC(=O)NC(CC)CC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090525842 185300133 /nfs/dbraw/zinc/30/01/33/185300133.db2.gz BNQRCQQTAWFGKF-QWHCGFSZSA-N 0 1 300.399 1.103 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1cccc(Cl)c1 ZINC000092780795 185340535 /nfs/dbraw/zinc/34/05/35/185340535.db2.gz SLSYUMNZPFPJJA-ZANVPECISA-N 0 1 304.781 1.955 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](c2nnn[n-]2)C1 ZINC000616627698 362762940 /nfs/dbraw/zinc/76/29/40/362762940.db2.gz MUXQZSKAYRWUDS-NSHDSACASA-N 0 1 310.402 1.294 10 0 DDAEMN CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2nnn[n-]2)C1 ZINC000616627698 362762947 /nfs/dbraw/zinc/76/29/47/362762947.db2.gz MUXQZSKAYRWUDS-NSHDSACASA-N 0 1 310.402 1.294 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616627698 362762950 /nfs/dbraw/zinc/76/29/50/362762950.db2.gz MUXQZSKAYRWUDS-NSHDSACASA-N 0 1 310.402 1.294 10 0 DDAEMN CC[C@H](C[NH3+])[N-]S(=O)(=O)c1sccc1Br ZINC000083566321 192373616 /nfs/dbraw/zinc/37/36/16/192373616.db2.gz KLDIGONQTSVUBO-ZCFIWIBFSA-N 0 1 313.242 1.526 10 0 DDAEMN Cc1ccc(C(=O)[C@@H](CC(=O)[O-])[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000071660814 191001126 /nfs/dbraw/zinc/00/11/26/191001126.db2.gz CJZGDNZVFITZEH-CQSZACIVSA-N 0 1 318.373 1.218 10 0 DDAEMN CN(C)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1 ZINC000071709488 191011139 /nfs/dbraw/zinc/01/11/39/191011139.db2.gz WGXNDTVPAWAFLI-UHFFFAOYSA-N 0 1 305.403 1.589 10 0 DDAEMN COC(=O)c1ccnc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000181901786 186216600 /nfs/dbraw/zinc/21/66/00/186216600.db2.gz UASHNXPARLMZNR-CYBMUJFWSA-N 0 1 318.377 1.570 10 0 DDAEMN C[C@@H](C(=O)NCc1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000172803548 198150931 /nfs/dbraw/zinc/15/09/31/198150931.db2.gz BMFFYIPBTNZVQY-DOTOQJQBSA-N 0 1 301.434 1.861 10 0 DDAEMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000173235741 198198741 /nfs/dbraw/zinc/19/87/41/198198741.db2.gz VVIBWGFIEDRDAQ-QWHCGFSZSA-N 0 1 307.394 1.614 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N(CC)c2ccccc2)CC1 ZINC000174088444 198289861 /nfs/dbraw/zinc/28/98/61/198289861.db2.gz IJXLDEBUYHRXJX-KRWDZBQOSA-N 0 1 319.449 1.428 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000174778831 198384365 /nfs/dbraw/zinc/38/43/65/198384365.db2.gz WYEADWWIYQSLPB-GFCCVEGCSA-N 0 1 308.382 1.468 10 0 DDAEMN CCCc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)n[nH]1 ZINC000127315407 354064153 /nfs/dbraw/zinc/06/41/53/354064153.db2.gz KLKBQEHZUNDCIW-GFCCVEGCSA-N 0 1 302.382 1.506 10 0 DDAEMN O=C(c1cc2[nH]c(=O)[nH]c2cc1Br)[C@@H]1CCCCN1 ZINC000085685764 192521732 /nfs/dbraw/zinc/52/17/32/192521732.db2.gz RPOOJVULLPEKOM-VIFPVBQESA-N 0 1 324.178 1.944 10 0 DDAEMN CCc1nn(C)c(CNC[C@@H]2COCCO2)c1Br ZINC000089317195 192765540 /nfs/dbraw/zinc/76/55/40/192765540.db2.gz POFZWSGLMOFIPW-SECBINFHSA-N 0 1 318.215 1.250 10 0 DDAEMN O=S(=O)([N-]CC1=CC[NH2+]CC1)c1cc(F)c(F)cc1F ZINC000193382622 201043239 /nfs/dbraw/zinc/04/32/39/201043239.db2.gz GHCMLXYQUQGIHH-UHFFFAOYSA-N 0 1 306.309 1.302 10 0 DDAEMN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193396694 201044283 /nfs/dbraw/zinc/04/42/83/201044283.db2.gz VLYCZPNSQPSUIM-HQJQHLMTSA-N 0 1 308.325 1.380 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000194775065 201287457 /nfs/dbraw/zinc/28/74/57/201287457.db2.gz IPSRYBZGKMXGGM-VIFPVBQESA-N 0 1 312.420 1.016 10 0 DDAEMN C[C@@H](C(=O)Nc1ccc(Cl)cc1N)N(C)CC1CC(O)C1 ZINC000091460318 193059614 /nfs/dbraw/zinc/05/96/14/193059614.db2.gz KFLBGJCJQGIYJF-BMQDGWLCSA-N 0 1 311.813 1.952 10 0 DDAEMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CO)cc1F ZINC000092115127 193163187 /nfs/dbraw/zinc/16/31/87/193163187.db2.gz RVVRPNGLGBVQPR-UHFFFAOYSA-N 0 1 316.398 1.033 10 0 DDAEMN Cc1nn(C)cc1CN1CCCN(c2ccc(C)nn2)CC1 ZINC000093151222 193208888 /nfs/dbraw/zinc/20/88/88/193208888.db2.gz MGXSDOJMAZBCOU-UHFFFAOYSA-N 0 1 300.410 1.539 10 0 DDAEMN CCS(=O)(=O)[C@@H]1CSCCN1c1cccc(F)c1CN ZINC000093395557 193243423 /nfs/dbraw/zinc/24/34/23/193243423.db2.gz NWKINKVEXWPKBN-CYBMUJFWSA-N 0 1 318.439 1.598 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)COC(C)(C)C ZINC000246286247 284166825 /nfs/dbraw/zinc/16/68/25/284166825.db2.gz OFSOTLFAZVHROC-YJNKXOJESA-N 0 1 313.438 1.969 10 0 DDAEMN COc1ccc2nc(S[C@H]3CC[C@@]([NH3+])(C(=O)[O-])C3)[nH]c2c1 ZINC000093850572 193318457 /nfs/dbraw/zinc/31/84/57/193318457.db2.gz QEVZFNNUZRORBN-XPTSAGLGSA-N 0 1 307.375 1.998 10 0 DDAEMN NC(=S)[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CCO1 ZINC000093934085 193329188 /nfs/dbraw/zinc/32/91/88/193329188.db2.gz ZORZGAASNFNUAK-JTQLQIEISA-N 0 1 300.767 1.173 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N(C)CCN1CCCC1 ZINC000094360579 193365651 /nfs/dbraw/zinc/36/56/51/193365651.db2.gz WKWVSIYLIQZHHV-UHFFFAOYSA-N 0 1 315.414 1.433 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N[C@@H](CN(C)C)C(C)C)c1 ZINC000094358546 193363942 /nfs/dbraw/zinc/36/39/42/193363942.db2.gz OGEWYTNMGNAZMM-AWEZNQCLSA-N 0 1 313.467 1.750 10 0 DDAEMN Cc1cc(NC(=O)[C@]2(N)CCOC2)ncc1Br ZINC000094063507 193342363 /nfs/dbraw/zinc/34/23/63/193342363.db2.gz YFWDNANOYBCESH-NSHDSACASA-N 0 1 300.156 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094224467 193351839 /nfs/dbraw/zinc/35/18/39/193351839.db2.gz BPRYEWUKVSNTDM-KWQFWETISA-N 0 1 311.304 1.176 10 0 DDAEMN O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCC2(O)CC2)C1 ZINC000333501267 249003824 /nfs/dbraw/zinc/00/38/24/249003824.db2.gz NZVPYTFLLRGZFW-AWEZNQCLSA-N 0 1 316.467 1.228 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501816 183083795 /nfs/dbraw/zinc/08/37/95/183083795.db2.gz OBSHRSDSVWYXDJ-SNVBAGLBSA-N 0 1 317.842 1.685 10 0 DDAEMN Cc1ccc(S(=O)(=O)NN=c2nc[nH]c(Cl)c2N)cc1 ZINC000040572037 183104574 /nfs/dbraw/zinc/10/45/74/183104574.db2.gz KBRLXFKDYOBBIE-UHFFFAOYSA-N 0 1 313.770 1.326 10 0 DDAEMN CC(=O)NCCC(=O)NC[C@H](c1cccc(Cl)c1)N(C)C ZINC000041310327 183184869 /nfs/dbraw/zinc/18/48/69/183184869.db2.gz PZTLEXJUNJHLQT-CQSZACIVSA-N 0 1 311.813 1.585 10 0 DDAEMN CN(C)C(=O)Cc1nc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000042162876 183237289 /nfs/dbraw/zinc/23/72/89/183237289.db2.gz XHEORZUQZKFJII-LLVKDONJSA-N 0 1 311.407 1.213 10 0 DDAEMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(C(N)=S)ccc1F ZINC000042428947 183269511 /nfs/dbraw/zinc/26/95/11/183269511.db2.gz WAPXREXLHPPSGU-KOLCDFICSA-N 0 1 309.410 1.546 10 0 DDAEMN CC(C)N(CCO)[C@H](C)C(=O)Nc1cccc(C(N)=S)c1 ZINC000042479358 183275660 /nfs/dbraw/zinc/27/56/60/183275660.db2.gz PYQJXRDSRRKJEQ-LLVKDONJSA-N 0 1 309.435 1.351 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(Cc2nccn2-c2ccccc2)C1 ZINC000284893752 218223952 /nfs/dbraw/zinc/22/39/52/218223952.db2.gz AUYGWMYADHNISU-INIZCTEOSA-N 0 1 310.361 1.084 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(F)c(F)c1 ZINC000105932582 194173325 /nfs/dbraw/zinc/17/33/25/194173325.db2.gz WTMISXDVWHIUPJ-ZYHUDNBSSA-N 0 1 313.348 1.212 10 0 DDAEMN C[C@H](CNC(=O)[C@H](Cc1ccccc1)N(C)C)Cn1cccn1 ZINC000106458787 194217268 /nfs/dbraw/zinc/21/72/68/194217268.db2.gz WDLQMKISOCDLBC-WBVHZDCISA-N 0 1 314.433 1.808 10 0 DDAEMN CCCCNC(=O)N1CCN([C@@H](CCC)C(N)=S)CC1 ZINC000109466615 194267541 /nfs/dbraw/zinc/26/75/41/194267541.db2.gz DDBVHYONPJFSCO-LBPRGKRZSA-N 0 1 300.472 1.569 10 0 DDAEMN O=S(=O)(NCCN1CCCC1)c1ccc2c(c1)CCCN2 ZINC000054108985 183924224 /nfs/dbraw/zinc/92/42/24/183924224.db2.gz STYDNONJOHOUMA-UHFFFAOYSA-N 0 1 309.435 1.419 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(CCOc2cccc(Cl)c2)CC1 ZINC000061146340 184162910 /nfs/dbraw/zinc/16/29/10/184162910.db2.gz CPOWFSGWTIXRSS-UHFFFAOYSA-N 0 1 312.797 1.811 10 0 DDAEMN O=C1CCCN1c1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000062961224 184262503 /nfs/dbraw/zinc/26/25/03/184262503.db2.gz SJALUOPZTRYUIP-ZDUSSCGKSA-N 0 1 308.403 1.090 10 0 DDAEMN CC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000062937473 184261064 /nfs/dbraw/zinc/26/10/64/184261064.db2.gz MATHNWWXRNFMEN-AWEZNQCLSA-N 0 1 307.375 1.443 10 0 DDAEMN Cc1c(N)cccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062975732 184264570 /nfs/dbraw/zinc/26/45/70/184264570.db2.gz UWDCZBHIOWTYCN-CYBMUJFWSA-N 0 1 309.435 1.436 10 0 DDAEMN Cn1ncc2c1nc(CSc1ccccc1O)nc2NN ZINC000063084368 184269758 /nfs/dbraw/zinc/26/97/58/184269758.db2.gz UYZFKPBVNZIIIJ-UHFFFAOYSA-N 0 1 302.363 1.647 10 0 DDAEMN NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[NH3+])c2)cc1 ZINC000063191082 184277246 /nfs/dbraw/zinc/27/72/46/184277246.db2.gz SSDMGIMWPGNNQQ-UHFFFAOYSA-N 0 1 305.359 1.045 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155411378 197051841 /nfs/dbraw/zinc/05/18/41/197051841.db2.gz XAPYXHLSUCLTKE-CYBMUJFWSA-N 0 1 323.360 1.637 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)OC)cc1)N(C)C ZINC000155507179 197060810 /nfs/dbraw/zinc/06/08/10/197060810.db2.gz LBWNWTIPUVECNB-AWEZNQCLSA-N 0 1 307.394 1.989 10 0 DDAEMN C[C@@H]1COC[C@H](C)N1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000120940995 195268194 /nfs/dbraw/zinc/26/81/94/195268194.db2.gz XDVVZIPIWOTZJC-TXEJJXNPSA-N 0 1 305.378 1.223 10 0 DDAEMN C[C@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)N1CCCCC1=O ZINC000328717415 533625582 /nfs/dbraw/zinc/62/55/82/533625582.db2.gz FHGWAPOHFMROOL-CYBMUJFWSA-N 0 1 318.421 1.907 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)N(C)C1 ZINC000329070421 286084236 /nfs/dbraw/zinc/08/42/36/286084236.db2.gz YMKMUXFYHQAJQB-AGIUHOORSA-N 0 1 321.425 1.024 10 0 DDAEMN O=C1CSC2(CCN(C[C@@H]3COc4ccccc4O3)CC2)N1 ZINC000003643978 406718421 /nfs/dbraw/zinc/71/84/21/406718421.db2.gz ZOSVJIBPKHDKBK-GFCCVEGCSA-N 0 1 320.414 1.482 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NCC3CCC3)C2)n1 ZINC000108867819 407391675 /nfs/dbraw/zinc/39/16/75/407391675.db2.gz JNDOMTUBAXTNSV-MRXNPFEDSA-N 0 1 319.453 1.523 10 0 DDAEMN Cn1cc(CN2CCCN(c3ccc4nccnc4n3)CC2)cn1 ZINC000112080545 407421572 /nfs/dbraw/zinc/42/15/72/407421572.db2.gz SHDPWZLTISDWQS-UHFFFAOYSA-N 0 1 323.404 1.471 10 0 DDAEMN CCCC[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cc(C)on1 ZINC000112548641 407432046 /nfs/dbraw/zinc/43/20/46/407432046.db2.gz LSZWOXSSQKHWGC-KBPBESRZSA-N 0 1 324.425 1.401 10 0 DDAEMN Cc1nn(C)cc1CNCc1n[nH]c(COc2ccccc2)n1 ZINC000185766141 407496714 /nfs/dbraw/zinc/49/67/14/407496714.db2.gz WATWCZMCYYIVHG-UHFFFAOYSA-N 0 1 312.377 1.715 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000262040898 407719679 /nfs/dbraw/zinc/71/96/79/407719679.db2.gz GFRHSZATYSKDPH-LLVKDONJSA-N 0 1 319.386 1.657 10 0 DDAEMN CSCCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000171634471 407726755 /nfs/dbraw/zinc/72/67/55/407726755.db2.gz KSZKFCFJOPMIDS-HNNXBMFYSA-N 0 1 310.463 1.407 10 0 DDAEMN COC(=O)CCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000116395762 407748949 /nfs/dbraw/zinc/74/89/49/407748949.db2.gz XNVZPTDTJGNWPK-INIZCTEOSA-N 0 1 306.406 1.291 10 0 DDAEMN COCc1cccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000179224256 407758144 /nfs/dbraw/zinc/75/81/44/407758144.db2.gz SDSNZYXMSKFBKY-OAHLLOKOSA-N 0 1 302.378 1.833 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000262233842 407772745 /nfs/dbraw/zinc/77/27/45/407772745.db2.gz HCBVGXQCMLNQOI-ZDUSSCGKSA-N 0 1 312.360 1.867 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000262255688 407776132 /nfs/dbraw/zinc/77/61/32/407776132.db2.gz IYXIMKPPGKVKKC-AWEZNQCLSA-N 0 1 322.405 1.607 10 0 DDAEMN CCC[C@H](C(=O)N1CC[S@](=O)C(CC)(CC)C1)N(C)C ZINC000186784414 407770185 /nfs/dbraw/zinc/77/01/85/407770185.db2.gz FWJRKWDVPZNPIZ-XCLFUZPHSA-N 0 1 302.484 1.866 10 0 DDAEMN CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H](N)COC)ccc21 ZINC000262287272 407785339 /nfs/dbraw/zinc/78/53/39/407785339.db2.gz MNCLQHDFTIWGFD-ZDUSSCGKSA-N 0 1 319.361 1.117 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262514230 407853236 /nfs/dbraw/zinc/85/32/36/407853236.db2.gz KXZFVYVEZHADRQ-CYBMUJFWSA-N 0 1 313.442 1.114 10 0 DDAEMN NCC(=O)Nc1cnc(Br)c(Br)c1 ZINC000237989586 407863712 /nfs/dbraw/zinc/86/37/12/407863712.db2.gz FKTXSLDNWZMYSM-UHFFFAOYSA-N 0 1 308.961 1.504 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)[nH]n1 ZINC000174599382 407966349 /nfs/dbraw/zinc/96/63/49/407966349.db2.gz RLQQSSXBPIOSSH-TZMCWYRMSA-N 0 1 308.426 1.279 10 0 DDAEMN CCSCC[C@H](C)NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000180762156 407917599 /nfs/dbraw/zinc/91/75/99/407917599.db2.gz CVIARTIYEWHTFR-BFHYXJOUSA-N 0 1 317.499 1.615 10 0 DDAEMN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262790574 407933207 /nfs/dbraw/zinc/93/32/07/407933207.db2.gz RRKOEZDOZGMPKR-RDDDGLTNSA-N 0 1 308.325 1.380 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)OCC)o2)C[C@H]1C ZINC000245684636 408042890 /nfs/dbraw/zinc/04/28/90/408042890.db2.gz AGSPGMVZBPOJPN-CQSZACIVSA-N 0 1 324.421 1.999 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(F)c2C)C1 ZINC000263188718 408050462 /nfs/dbraw/zinc/05/04/62/408050462.db2.gz KZNRNIOTKPMEDL-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN CC(C)(C)CCNC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263010794 408000924 /nfs/dbraw/zinc/00/09/24/408000924.db2.gz PSJQSTVWIXTJNF-NXEZZACHSA-N 0 1 324.343 1.734 10 0 DDAEMN CC(C)(C)CCNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263010794 408000925 /nfs/dbraw/zinc/00/09/25/408000925.db2.gz PSJQSTVWIXTJNF-NXEZZACHSA-N 0 1 324.343 1.734 10 0 DDAEMN CCOCCN1CCN(Cc2nc(COC)no2)C[C@H]1CC ZINC000182235974 408101914 /nfs/dbraw/zinc/10/19/14/408101914.db2.gz JPXFMBYMWYSYPF-CYBMUJFWSA-N 0 1 312.414 1.149 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCCc3ccsc3)CCO2)n[nH]1 ZINC000175383599 408118786 /nfs/dbraw/zinc/11/87/86/408118786.db2.gz DHTNXSXHQLZDSN-LBPRGKRZSA-N 0 1 321.406 1.500 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1OC ZINC000175396274 408122555 /nfs/dbraw/zinc/12/25/55/408122555.db2.gz DADFHZWPECGGJD-ZDUSSCGKSA-N 0 1 312.435 1.800 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@@H]2CCCCO2)C[C@@H]1CC ZINC000155237797 408142571 /nfs/dbraw/zinc/14/25/71/408142571.db2.gz QKUFQBYQMMAJEI-HOTGVXAUSA-N 0 1 312.454 1.905 10 0 DDAEMN COc1cc(Cc2nc3c(ncnc3N)[nH]2)cc(OC)c1OC ZINC000138092565 408164604 /nfs/dbraw/zinc/16/46/04/408164604.db2.gz ICKMYCWECIPMQD-UHFFFAOYSA-N 0 1 315.333 1.552 10 0 DDAEMN CCOc1ccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000263534107 408165429 /nfs/dbraw/zinc/16/54/29/408165429.db2.gz YEIDYPSIYAXBNB-MRXNPFEDSA-N 0 1 322.405 1.303 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCCc2c[nH]nn2)CCN1CCOC ZINC000139358288 408169290 /nfs/dbraw/zinc/16/92/90/408169290.db2.gz FQRPZEYWJCCKPS-HNNXBMFYSA-N 0 1 323.441 1.087 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ncccc3C)CCO2)n[nH]1 ZINC000175997260 408262005 /nfs/dbraw/zinc/26/20/05/408262005.db2.gz ISUMUZPNHVIUIO-NSHDSACASA-N 0 1 302.338 1.422 10 0 DDAEMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCN2CCCC[C@@H]2C1 ZINC000246350248 408227736 /nfs/dbraw/zinc/22/77/36/408227736.db2.gz IZBFIGSHYQYCHI-QXSJWSMHSA-N 0 1 307.438 1.824 10 0 DDAEMN O=C(CN1CCCC[C@H]1c1nnc[nH]1)NC(=O)NC1CCCC1 ZINC000182713553 408228558 /nfs/dbraw/zinc/22/85/58/408228558.db2.gz PRGPUJGMOSYMCV-LBPRGKRZSA-N 0 1 320.397 1.100 10 0 DDAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176241434 408322980 /nfs/dbraw/zinc/32/29/80/408322980.db2.gz QGNKOLURFFQGGW-LBPRGKRZSA-N 0 1 318.421 1.296 10 0 DDAEMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000176241434 408322984 /nfs/dbraw/zinc/32/29/84/408322984.db2.gz QGNKOLURFFQGGW-LBPRGKRZSA-N 0 1 318.421 1.296 10 0 DDAEMN CC[C@@H]1CN(CCOc2cccc(OC)c2)CC[N@H+]1C[C@H](C)O ZINC000246481010 408271364 /nfs/dbraw/zinc/27/13/64/408271364.db2.gz ADGYSWAECNYSHT-JKSUJKDBSA-N 0 1 322.449 1.851 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000246617529 408304916 /nfs/dbraw/zinc/30/49/16/408304916.db2.gz CVMUZLMMXCCUFS-STQMWFEESA-N 0 1 310.825 1.796 10 0 DDAEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@@H](OCCO)C1 ZINC000246665875 408311761 /nfs/dbraw/zinc/31/17/61/408311761.db2.gz AWUGOKPXLMARFM-ZMSDIMECSA-N 0 1 320.433 1.726 10 0 DDAEMN CCNC(=O)C(C)(C)CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000131307775 162011878 /nfs/dbraw/zinc/01/18/78/162011878.db2.gz DFSXYVPKKAMQFI-ZDUSSCGKSA-N 0 1 310.442 1.028 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCC3(C4CC4)CCC3)CCO2)n[nH]1 ZINC000133268081 162054344 /nfs/dbraw/zinc/05/43/44/162054344.db2.gz SIOUFQYLWSGJQN-CYBMUJFWSA-N 0 1 319.409 1.776 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246818492 408347307 /nfs/dbraw/zinc/34/73/07/408347307.db2.gz AFIXJUBMHQFWAN-KBPBESRZSA-N 0 1 323.441 1.602 10 0 DDAEMN Cc1cccc(CCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246884161 408361762 /nfs/dbraw/zinc/36/17/62/408361762.db2.gz WRZMLLOKGALSGF-CVEARBPZSA-N 0 1 304.434 1.841 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247007266 408384329 /nfs/dbraw/zinc/38/43/29/408384329.db2.gz BVWYLRPDZPYRGH-VGWMRTNUSA-N 0 1 313.486 1.457 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)COc3cccc(C)c3)CCO2)n[nH]1 ZINC000173547759 162347649 /nfs/dbraw/zinc/34/76/49/162347649.db2.gz LZHJFQTVNFDIST-CQSZACIVSA-N 0 1 316.361 1.400 10 0 DDAEMN COc1ccccc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000174005560 162385993 /nfs/dbraw/zinc/38/59/93/162385993.db2.gz BZIHEKVFWZNNNB-STQMWFEESA-N 0 1 312.435 1.702 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000174097025 162391379 /nfs/dbraw/zinc/39/13/79/162391379.db2.gz HUNFBSACGALJCD-CABCVRRESA-N 0 1 302.378 1.528 10 0 DDAEMN CCc1nc2n(n1)C[C@H](N[C@H](c1nccn1C)C1CC1)CC2 ZINC000183319399 408378704 /nfs/dbraw/zinc/37/87/04/408378704.db2.gz UFPWXTPBBCTLAL-DOMZBBRYSA-N 0 1 300.410 1.630 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H](CC)COC)C[C@H]1CC ZINC000247366064 408457307 /nfs/dbraw/zinc/45/73/07/408457307.db2.gz MZBIPACFTWPFBB-HUUCEWRRSA-N 0 1 315.458 1.554 10 0 DDAEMN COCCN1CCN(Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000247060973 408399420 /nfs/dbraw/zinc/39/94/20/408399420.db2.gz FWHVBCOBZMPSCF-ZDUSSCGKSA-N 0 1 317.437 1.429 10 0 DDAEMN CN(C)C(=O)[C@H](c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247231291 408433160 /nfs/dbraw/zinc/43/31/60/408433160.db2.gz XAZHUNCCLQPFLA-SJORKVTESA-N 0 1 317.433 1.222 10 0 DDAEMN COc1cccc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000176934929 408479228 /nfs/dbraw/zinc/47/92/28/408479228.db2.gz KPIWKUYXAVKDOE-ZDUSSCGKSA-N 0 1 317.349 1.727 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)c1cnn(CC)c1 ZINC000247969503 408523391 /nfs/dbraw/zinc/52/33/91/408523391.db2.gz FKHFIZCOBWNVHE-KGLIPLIRSA-N 0 1 304.394 1.171 10 0 DDAEMN Cn1cc(N2CCC[C@@H](N3CCN4CCCC[C@H]4C3)C2=O)cn1 ZINC000248366853 408553077 /nfs/dbraw/zinc/55/30/77/408553077.db2.gz SPVCRYIDSZQRSZ-GOEBONIOSA-N 0 1 317.437 1.086 10 0 DDAEMN Cc1nn(C)c(Cl)c1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177223545 408554041 /nfs/dbraw/zinc/55/40/41/408554041.db2.gz VZRABJYGBQSTAH-SMDDNHRTSA-N 0 1 312.845 1.534 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161665970 408626175 /nfs/dbraw/zinc/62/61/75/408626175.db2.gz XVSZZPUPXQHIRK-ZWNOBZJWSA-N 0 1 310.398 1.536 10 0 DDAEMN CCOCCN1CCN([C@H](C)c2nnnn2C2CC2)C[C@H]1C ZINC000248893667 408655475 /nfs/dbraw/zinc/65/54/75/408655475.db2.gz SSNJLVBQASTNFH-CHWSQXEVSA-N 0 1 308.430 1.112 10 0 DDAEMN CN(CC1CCC1)c1nc[nH]c(=O)c1I ZINC000162840536 408739728 /nfs/dbraw/zinc/73/97/28/408739728.db2.gz DOHSDJWSTSSPAN-UHFFFAOYSA-N 0 1 319.146 1.611 10 0 DDAEMN C[C@H](CCNC(=O)CCc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC000193050527 408687638 /nfs/dbraw/zinc/68/76/38/408687638.db2.gz UNNKVOYPETVPGS-LLVKDONJSA-N 0 1 310.398 1.762 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000187875996 163030763 /nfs/dbraw/zinc/03/07/63/163030763.db2.gz VROZIYDQSBEPFW-CQSZACIVSA-N 0 1 316.361 1.595 10 0 DDAEMN O=C(NCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)NC1CCCCC1 ZINC000195049036 163304234 /nfs/dbraw/zinc/30/42/34/163304234.db2.gz BAGPIGPHNWGKLN-OAHLLOKOSA-N 0 1 322.453 1.315 10 0 DDAEMN O=C(NCC(=O)N1CCN2CCCC[C@@H]2C1)NC1CCCCC1 ZINC000195049036 163304236 /nfs/dbraw/zinc/30/42/36/163304236.db2.gz BAGPIGPHNWGKLN-OAHLLOKOSA-N 0 1 322.453 1.315 10 0 DDAEMN CS[C@H](C)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262702283 163867432 /nfs/dbraw/zinc/86/74/32/163867432.db2.gz IKJDOMOPBNAHDR-OIKLOGQESA-N 0 1 300.424 1.182 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](C(C)C)C2)C1 ZINC000263454552 163969402 /nfs/dbraw/zinc/96/94/02/163969402.db2.gz GZDCJNSWAQUNTN-HSBZDZAISA-N 0 1 311.426 1.611 10 0 DDAEMN CC(=O)NC(C)(C)c1noc([C@H]2CCCN2C2CCOCC2)n1 ZINC000350574104 409965347 /nfs/dbraw/zinc/96/53/47/409965347.db2.gz CGKOUYZMYCBCSR-CYBMUJFWSA-N 0 1 322.409 1.757 10 0 DDAEMN Cc1nc([C@H]2CN(c3nc(C)nc4c3CCCC4)CCO2)n[nH]1 ZINC000302102463 410841253 /nfs/dbraw/zinc/84/12/53/410841253.db2.gz QLQRVDFVBZWUHG-CQSZACIVSA-N 0 1 314.393 1.668 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2ncccc2C)CCN1C[C@H](C)O ZINC000492556608 420591746 /nfs/dbraw/zinc/59/17/46/420591746.db2.gz ZMTDGTJJAGQUNP-YVDRWBGASA-N 0 1 317.433 1.707 10 0 DDAEMN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CC2=CCCOC2)C1 ZINC000548018326 421389397 /nfs/dbraw/zinc/38/93/97/421389397.db2.gz KNMZVVDOGRJAKL-INIZCTEOSA-N 0 1 321.446 1.835 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(c2ncc(Cl)cc2Cl)C1 ZINC000583616728 422200389 /nfs/dbraw/zinc/20/03/89/422200389.db2.gz JMYUSCFBJOVKIR-GFCCVEGCSA-N 0 1 314.176 1.995 10 0 DDAEMN CCN1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)c2ccccc21 ZINC000329183156 276190452 /nfs/dbraw/zinc/19/04/52/276190452.db2.gz OTNVZBJJCNLVJC-GFCCVEGCSA-N 0 1 311.389 1.783 10 0 DDAEMN CCN1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)c2ccccc21 ZINC000329183156 276190455 /nfs/dbraw/zinc/19/04/55/276190455.db2.gz OTNVZBJJCNLVJC-GFCCVEGCSA-N 0 1 311.389 1.783 10 0 DDAEMN CC[C@@H]1C[C@H](CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCO1 ZINC000378616543 302344175 /nfs/dbraw/zinc/34/41/75/302344175.db2.gz CJQWNASCDDVHOO-MGPQQGTHSA-N 0 1 322.409 1.608 10 0 DDAEMN CC[N@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000390034022 307293404 /nfs/dbraw/zinc/29/34/04/307293404.db2.gz ZTPSPAOJMXWEQO-JTQLQIEISA-N 0 1 313.195 1.979 10 0 DDAEMN CC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000390034022 307293405 /nfs/dbraw/zinc/29/34/05/307293405.db2.gz ZTPSPAOJMXWEQO-JTQLQIEISA-N 0 1 313.195 1.979 10 0 DDAEMN Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCc4[nH]nnc4C3)cc12 ZINC000671438648 485033045 /nfs/dbraw/zinc/03/30/45/485033045.db2.gz UNWNWWIWSNGBLF-SECBINFHSA-N 0 1 311.349 1.138 10 0 DDAEMN Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCc4nn[nH]c4C3)cc12 ZINC000671438648 485033050 /nfs/dbraw/zinc/03/30/50/485033050.db2.gz UNWNWWIWSNGBLF-SECBINFHSA-N 0 1 311.349 1.138 10 0 DDAEMN CN1CCN(c2ccc(N)cc2NC(=O)c2ccncc2)CC1 ZINC000226259490 490701479 /nfs/dbraw/zinc/70/14/79/490701479.db2.gz VTYUXLJUNRACHQ-UHFFFAOYSA-N 0 1 311.389 1.668 10 0 DDAEMN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000159014695 519767267 /nfs/dbraw/zinc/76/72/67/519767267.db2.gz BZXNSHPUHQTXJE-KBPBESRZSA-N 0 1 318.483 1.292 10 0 DDAEMN CN1C[C@@H](n2c3c(nc2C(F)(F)F)CNCC3)CCC1=O ZINC000085574683 517951868 /nfs/dbraw/zinc/95/18/68/517951868.db2.gz PWCDKSXQEAYFSJ-QMMMGPOBSA-N 0 1 302.300 1.341 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120576060 696697741 /nfs/dbraw/zinc/69/77/41/696697741.db2.gz BKYKMSMEWURCKC-VXGBXAGGSA-N 0 1 314.861 1.523 10 0 DDAEMN CCC[C@@H]1CC(=O)N(CN2CCN(CCOC)[C@H](CC)C2)C1 ZINC000173350532 697377324 /nfs/dbraw/zinc/37/73/24/697377324.db2.gz YHIKRQRQGDYTQE-HZPDHXFCSA-N 0 1 311.470 1.635 10 0 DDAEMN C[C@H]1C(=O)NCCCN1Cc1cccc(Br)c1O ZINC000189088653 697570827 /nfs/dbraw/zinc/57/08/27/697570827.db2.gz WINVUPQKWSJHNS-VIFPVBQESA-N 0 1 313.195 1.865 10 0 DDAEMN C[C@]1(C(=O)N[C@@H]2CN3CCC2CC3)CC(c2ccccc2)=NO1 ZINC000222582782 697757948 /nfs/dbraw/zinc/75/79/48/697757948.db2.gz YMMYBETXZIQRQD-SJLPKXTDSA-N 0 1 313.401 1.780 10 0 DDAEMN O=S(=O)(c1ccccc1NC[C@H]1COCCN1)C(F)F ZINC000236143729 697795150 /nfs/dbraw/zinc/79/51/50/697795150.db2.gz NEQVQJINUFWBCW-VIFPVBQESA-N 0 1 306.334 1.083 10 0 DDAEMN COC[C@@H](N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262239811 698460763 /nfs/dbraw/zinc/46/07/63/698460763.db2.gz HQNFNPUZTRTUJY-GHMZBOCLSA-N 0 1 307.177 1.117 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CSC(C)(C)C)C1 ZINC000262713993 698478409 /nfs/dbraw/zinc/47/84/09/698478409.db2.gz MRXQNAOHRJNRCD-UHFFFAOYSA-N 0 1 302.440 1.572 10 0 DDAEMN Cc1cncc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000262716692 698478615 /nfs/dbraw/zinc/47/86/15/698478615.db2.gz NVCWNNRROXISIZ-UHFFFAOYSA-N 0 1 317.389 1.447 10 0 DDAEMN CCc1ccc(O)c(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)c1 ZINC000262749102 698479495 /nfs/dbraw/zinc/47/94/95/698479495.db2.gz AEDGVIDEYDWZNV-UHFFFAOYSA-N 0 1 320.389 1.622 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000263018971 698488282 /nfs/dbraw/zinc/48/82/82/698488282.db2.gz ZTRPYFRVOWLURD-ZBFHGGJFSA-N 0 1 316.401 1.724 10 0 DDAEMN CC[C@@H](C)OCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263451172 698507695 /nfs/dbraw/zinc/50/76/95/698507695.db2.gz SMVWMNKRUMIVRD-LMWSTFAQSA-N 0 1 312.410 1.245 10 0 DDAEMN Cc1c[nH]c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702763961 699232279 /nfs/dbraw/zinc/23/22/79/699232279.db2.gz OGWGZOWLXQLCFQ-NEPJUHHUSA-N 0 1 310.398 1.036 10 0 DDAEMN NC(=O)C[C@@]1(O)CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000888078889 709210748 /nfs/dbraw/zinc/21/07/48/709210748.db2.gz GVYYWRLTKBCNGZ-INIZCTEOSA-N 0 1 306.410 1.201 10 0 DDAEMN O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900396886 709576066 /nfs/dbraw/zinc/57/60/66/709576066.db2.gz WKUIGOYPHHNZJC-CHWSQXEVSA-N 0 1 312.333 1.381 10 0 DDAEMN Cc1cc2ncc([C@H](C)N[C@@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902684 192336241 /nfs/dbraw/zinc/33/62/41/192336241.db2.gz RVQJDVLWRJAHMF-QWRGUYRKSA-N 0 1 310.423 1.430 10 0 DDAEMN NC(=[NH2+])SCC(=O)[N-]C(=O)c1ccccc1Br ZINC000087464407 185225898 /nfs/dbraw/zinc/22/58/98/185225898.db2.gz MCSZCPKTAUUXMX-UHFFFAOYSA-N 0 1 316.180 1.332 10 0 DDAEMN Nc1cn[nH]c1C(=O)NCc1sccc1Br ZINC000087574459 185228737 /nfs/dbraw/zinc/22/87/37/185228737.db2.gz NRAAJTNNICDSQR-UHFFFAOYSA-N 0 1 301.169 1.746 10 0 DDAEMN Cc1ccc(Br)cc1C(=O)N[C@H](C)c1nn[nH]n1 ZINC000087743966 185231352 /nfs/dbraw/zinc/23/13/52/185231352.db2.gz LSTABJNQAXJKRB-SSDOTTSWSA-N 0 1 310.155 1.762 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CCC(=O)OC)c1ccc(C)c(C)c1 ZINC000081975378 192347685 /nfs/dbraw/zinc/34/76/85/192347685.db2.gz WXXHJBVKLIMKCC-AWEZNQCLSA-N 0 1 313.419 1.542 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NCc1ccc(Cl)cc1)C(C)C ZINC000183636717 539242791 /nfs/dbraw/zinc/24/27/91/539242791.db2.gz NXNKABGPKUUJEO-CQSZACIVSA-N 0 1 311.813 1.316 10 0 DDAEMN O=S(=O)(C[C@H]1CCCO1)N1CCNCC12CCCCC2 ZINC000088396183 185248454 /nfs/dbraw/zinc/24/84/54/185248454.db2.gz RSTDVQKPGLNPHI-CYBMUJFWSA-N 0 1 302.440 1.103 10 0 DDAEMN COC[C@H]1CCN(S(=O)(=O)c2ccc(CNC(C)C)o2)C1 ZINC000088551393 185257392 /nfs/dbraw/zinc/25/73/92/185257392.db2.gz HWFPHEIWCVMSHC-LBPRGKRZSA-N 0 1 316.423 1.435 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2ccsc2CO)CC1 ZINC000088891794 185269637 /nfs/dbraw/zinc/26/96/37/185269637.db2.gz YXMNWRNVPBXTTR-UHFFFAOYSA-N 0 1 318.464 1.345 10 0 DDAEMN O=C(CN1CCC(Cn2cccn2)CC1)NCc1ccccc1 ZINC000090473337 185298518 /nfs/dbraw/zinc/29/85/18/185298518.db2.gz GRKURHZGPRYOOK-UHFFFAOYSA-N 0 1 312.417 1.912 10 0 DDAEMN COCCNCC(=O)Nc1ccc(F)cc1Br ZINC000092495173 185322390 /nfs/dbraw/zinc/32/23/90/185322390.db2.gz QGNKWVKTJCRULS-UHFFFAOYSA-N 0 1 305.147 1.763 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N(C)C[C@H]2CCCN2C)c1C ZINC000092621910 185330119 /nfs/dbraw/zinc/33/01/19/185330119.db2.gz KMAYFDIKLGNDIC-CQSZACIVSA-N 0 1 311.451 1.600 10 0 DDAEMN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000181629671 199329613 /nfs/dbraw/zinc/32/96/13/199329613.db2.gz AKNRNNOBKQHIDE-RKDXNWHRSA-N 0 1 300.305 1.293 10 0 DDAEMN CCCNC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725271645 539570446 /nfs/dbraw/zinc/57/04/46/539570446.db2.gz JHYXDKCTYHXUJT-ZYHUDNBSSA-N 0 1 311.455 1.645 10 0 DDAEMN C[C@H]1CN(Cc2cnc(N)s2)CC[C@H]1NC(=O)C1(C)CC1 ZINC000725273092 539570806 /nfs/dbraw/zinc/57/08/06/539570806.db2.gz ZACPSSVIUYXGMR-CMPLNLGQSA-N 0 1 308.451 1.852 10 0 DDAEMN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2CN)CC(C)(C)O1 ZINC000070394855 190885004 /nfs/dbraw/zinc/88/50/04/190885004.db2.gz UFTDNVDWZWPBQI-SNVBAGLBSA-N 0 1 316.398 1.472 10 0 DDAEMN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000171956974 198015294 /nfs/dbraw/zinc/01/52/94/198015294.db2.gz FPDDDLKJIQQXMZ-GFCCVEGCSA-N 0 1 314.393 1.918 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000172355515 198084124 /nfs/dbraw/zinc/08/41/24/198084124.db2.gz CTMSMTYGCFQRSE-OAHLLOKOSA-N 0 1 316.405 1.625 10 0 DDAEMN CC(C)[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H](C)C1 ZINC000174004390 198279317 /nfs/dbraw/zinc/27/93/17/198279317.db2.gz AKNZWZWCJMEGFN-WFASDCNBSA-N 0 1 314.426 1.974 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(CCOCC)[C@H](C)C2)n[nH]1 ZINC000117276303 353993583 /nfs/dbraw/zinc/99/35/83/353993583.db2.gz FPZWBOWASPWEAQ-CYBMUJFWSA-N 0 1 308.426 1.545 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000403979124 354671570 /nfs/dbraw/zinc/67/15/70/354671570.db2.gz DMALRBKUUSNYJN-IAGOWNOFSA-N 0 1 317.433 1.098 10 0 DDAEMN CC(C)[C@H](CN(C)C)NS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081693693 192314037 /nfs/dbraw/zinc/31/40/37/192314037.db2.gz JNPGKNFZBREBAW-NSHDSACASA-N 0 1 320.846 1.182 10 0 DDAEMN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000236901666 202061478 /nfs/dbraw/zinc/06/14/78/202061478.db2.gz RXVCKTMTJMJYPW-GZMMTYOYSA-N 0 1 320.361 1.995 10 0 DDAEMN CNCc1c[nH]nc1S(=O)(=O)N(CC(C)C)CC(C)C ZINC000088987098 192683153 /nfs/dbraw/zinc/68/31/53/192683153.db2.gz YHPLHMJSLCVRAI-UHFFFAOYSA-N 0 1 302.444 1.432 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C[C@@H](C)O ZINC000180749765 199204240 /nfs/dbraw/zinc/20/42/40/199204240.db2.gz SFVVDXVAFJQKSB-ZBFHGGJFSA-N 0 1 319.449 1.670 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)CCO2)n[nH]1 ZINC000187367573 200102167 /nfs/dbraw/zinc/10/21/67/200102167.db2.gz AFJPLQOXIJSEIK-NSHDSACASA-N 0 1 316.365 1.181 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000621833455 365050798 /nfs/dbraw/zinc/05/07/98/365050798.db2.gz OCIBJJJKXOUKSN-OAHLLOKOSA-N 0 1 319.405 1.623 10 0 DDAEMN CCn1nc(C)c(Cl)c1CC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091689245 193092034 /nfs/dbraw/zinc/09/20/34/193092034.db2.gz LUUQMNKOFYETMY-RISCZKNCSA-N 0 1 311.813 1.840 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000092001348 193139110 /nfs/dbraw/zinc/13/91/10/193139110.db2.gz LTVQEUXXXLMOEG-KGLIPLIRSA-N 0 1 309.435 1.434 10 0 DDAEMN C[C@@H](C[NH3+])c1nc([O-])c(-c2ccccc2Br)c(=O)[nH]1 ZINC000093177097 193211953 /nfs/dbraw/zinc/21/19/53/193211953.db2.gz QVTAJOKWSNURFC-ZETCQYMHSA-N 0 1 324.178 1.967 10 0 DDAEMN Cn1ncc(C(N)=S)c1NS(=O)(=O)C1CCCCC1 ZINC000093355449 193237026 /nfs/dbraw/zinc/23/70/26/193237026.db2.gz JAEKNERRTVHFTB-UHFFFAOYSA-N 0 1 302.425 1.129 10 0 DDAEMN C[C@@H]([NH3+])c1nc(C(=O)NCC2CCC(C(=O)[O-])CC2)cs1 ZINC000093430573 193249725 /nfs/dbraw/zinc/24/97/25/193249725.db2.gz DLYHSNZJEATRHG-XNWIYYODSA-N 0 1 311.407 1.784 10 0 DDAEMN CCOC(CN[C@H](C)c1ccc(S(N)(=O)=O)cc1)OCC ZINC000093447498 193253365 /nfs/dbraw/zinc/25/33/65/193253365.db2.gz OKJJIUNSDGIZRL-LLVKDONJSA-N 0 1 316.423 1.384 10 0 DDAEMN CCn1nc(C)c(Cl)c1C[C@@H](O)[C@@H]1CN(C)CCN1C ZINC000093893739 193323645 /nfs/dbraw/zinc/32/36/45/193323645.db2.gz XGUZPCHGYOFFPE-QWHCGFSZSA-N 0 1 300.834 1.014 10 0 DDAEMN CCCNCc1nc(N(C)CCS(C)(=O)=O)ccc1Cl ZINC000094300757 193358392 /nfs/dbraw/zinc/35/83/92/193358392.db2.gz WLKCDHIXKPDADG-UHFFFAOYSA-N 0 1 319.858 1.715 10 0 DDAEMN CCCN[C@@H](C)c1csc(N(C)CCS(C)(=O)=O)n1 ZINC000094301113 193358664 /nfs/dbraw/zinc/35/86/64/193358664.db2.gz RFZOTSKHZBFWAM-JTQLQIEISA-N 0 1 305.469 1.685 10 0 DDAEMN CC(C)(C)NCc1ncnn1[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644066 193389438 /nfs/dbraw/zinc/38/94/38/193389438.db2.gz SHFCCXYRXKVXPL-RYUDHWBXSA-N 0 1 314.455 1.695 10 0 DDAEMN CC(C)CNCc1ncnn1[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644071 193389809 /nfs/dbraw/zinc/38/98/09/193389809.db2.gz XVBGCZIXMICRNH-CHWSQXEVSA-N 0 1 314.455 1.552 10 0 DDAEMN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)c1nn[nH]n1 ZINC000094599846 193383985 /nfs/dbraw/zinc/38/39/85/193383985.db2.gz UEVADFKCFABWFI-YFKPBYRVSA-N 0 1 303.219 1.849 10 0 DDAEMN Brc1ccc2nc(NCCCc3nc[nH]n3)nn2c1 ZINC000094606412 193384152 /nfs/dbraw/zinc/38/41/52/193384152.db2.gz NCFYYTOWDFLAJD-UHFFFAOYSA-N 0 1 322.170 1.655 10 0 DDAEMN COC(=O)[C@H](c1ccccc1F)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245453825 284305282 /nfs/dbraw/zinc/30/52/82/284305282.db2.gz RLNALUWIAAHCGI-WWGRRREGSA-N 0 1 324.396 1.427 10 0 DDAEMN Nc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000019775272 182147174 /nfs/dbraw/zinc/14/71/74/182147174.db2.gz UZDNLDVAPBGXDO-SECBINFHSA-N 0 1 311.769 1.657 10 0 DDAEMN CCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCN(CC)CC1 ZINC000036090158 182797053 /nfs/dbraw/zinc/79/70/53/182797053.db2.gz GXFRMDJZMYOODY-KRWDZBQOSA-N 0 1 319.449 1.900 10 0 DDAEMN COCC1(S(=O)(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)CC1 ZINC000333652620 249058336 /nfs/dbraw/zinc/05/83/36/249058336.db2.gz FFTUOMHBIXJPHS-NSHDSACASA-N 0 1 314.411 1.149 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2ccc(F)c(N)c2)C1 ZINC000040501821 183083414 /nfs/dbraw/zinc/08/34/14/183083414.db2.gz SMQOTAWSNXWYEN-JTQLQIEISA-N 0 1 301.387 1.171 10 0 DDAEMN CC(C)[N@@H+](C)CCCCNC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000041682603 183217109 /nfs/dbraw/zinc/21/71/09/183217109.db2.gz PSRDPNWROGYJDB-LLVKDONJSA-N 0 1 303.428 1.276 10 0 DDAEMN CCCCN([C@H](C)CC)S(=O)(=O)c1ccnc(NN)c1 ZINC000042611302 183291169 /nfs/dbraw/zinc/29/11/69/183291169.db2.gz LWJKWNBGPSSFHO-LLVKDONJSA-N 0 1 300.428 1.957 10 0 DDAEMN NCc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043428298 183361640 /nfs/dbraw/zinc/36/16/40/183361640.db2.gz FFKMDBANABUMLK-RYUDHWBXSA-N 0 1 316.448 1.539 10 0 DDAEMN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CCN(C)CC2)o1 ZINC000106520374 194223953 /nfs/dbraw/zinc/22/39/53/194223953.db2.gz AKXNUMVYKFBKRB-GXTWGEPZSA-N 0 1 308.426 1.584 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000109465678 194267409 /nfs/dbraw/zinc/26/74/09/194267409.db2.gz RIBUUEKHNOXPIU-UHFFFAOYSA-N 0 1 305.447 1.438 10 0 DDAEMN CCN[C@@H]1c2ccc(Sc3nnc(C)n3C)cc2NC1=O ZINC000110368743 194324725 /nfs/dbraw/zinc/32/47/25/194324725.db2.gz QVDQKMFJQHJDGL-GFCCVEGCSA-N 0 1 303.391 1.877 10 0 DDAEMN Nc1cc(Cl)ccc1S(=O)(=O)NCCN1CCCC1 ZINC000054111702 183924493 /nfs/dbraw/zinc/92/44/93/183924493.db2.gz FOBQHEMXSNEQPJ-UHFFFAOYSA-N 0 1 303.815 1.296 10 0 DDAEMN C[C@]1(NCc2n[nH]nc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000110924728 194370109 /nfs/dbraw/zinc/37/01/09/194370109.db2.gz OHDFFEQHHHEXKV-AWEZNQCLSA-N 0 1 306.391 1.139 10 0 DDAEMN C[C@]1(NCc2[nH]nnc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000110924728 194370110 /nfs/dbraw/zinc/37/01/10/194370110.db2.gz OHDFFEQHHHEXKV-AWEZNQCLSA-N 0 1 306.391 1.139 10 0 DDAEMN Cc1cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)no1 ZINC000056242591 184008048 /nfs/dbraw/zinc/00/80/48/184008048.db2.gz AXYRENKYYLLESX-ZDUSSCGKSA-N 0 1 316.361 1.341 10 0 DDAEMN Cc1ccc(N)c(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1C ZINC000061642554 184180163 /nfs/dbraw/zinc/18/01/63/184180163.db2.gz GNPKXACZHZRYBJ-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1N ZINC000061642635 184180460 /nfs/dbraw/zinc/18/04/60/184180460.db2.gz DSRWVNDOMNJFBN-NSHDSACASA-N 0 1 301.387 1.123 10 0 DDAEMN C[C@H](c1cccc(Cl)c1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1N ZINC000062014498 184201763 /nfs/dbraw/zinc/20/17/63/184201763.db2.gz QYBHVOHEULKQHL-JIMOISOXSA-N 0 1 302.827 1.457 10 0 DDAEMN CCNS(=O)(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000062212226 184221447 /nfs/dbraw/zinc/22/14/47/184221447.db2.gz AGBTZRKIWOOJGZ-OAHLLOKOSA-N 0 1 311.451 1.658 10 0 DDAEMN Cn1ccnc1[C@H]1CN(CC[C@H](O)c2ccccc2)CCN1C ZINC000289577958 221080693 /nfs/dbraw/zinc/08/06/93/221080693.db2.gz YVZVXJVFICRMKX-SJORKVTESA-N 0 1 314.433 1.832 10 0 DDAEMN COc1ncccc1CN1CC[C@@H](O)[C@H]1Cc1cnn(C)c1 ZINC000248143350 257108784 /nfs/dbraw/zinc/10/87/84/257108784.db2.gz QYTIWJUEETXTTE-HUUCEWRRSA-N 0 1 302.378 1.002 10 0 DDAEMN Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3N(Cc3ccncc3)C2)n1 ZINC000248010677 257112080 /nfs/dbraw/zinc/11/20/80/257112080.db2.gz IVBADXOFWRHUQM-ILXRZTDVSA-N 0 1 300.362 1.920 10 0 DDAEMN COCCN1CCO[C@@H]2CCN(Cc3scnc3C)C[C@H]21 ZINC000248017501 257112196 /nfs/dbraw/zinc/11/21/96/257112196.db2.gz IAHXAJAPWMHNRX-ZIAGYGMSSA-N 0 1 311.451 1.373 10 0 DDAEMN COc1ccc([C@@H](C)N[C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137276 406682034 /nfs/dbraw/zinc/68/20/34/406682034.db2.gz YVHZKFGOEZWPJQ-DGCLKSJQSA-N 0 1 313.419 1.932 10 0 DDAEMN CN(Cc1nnc(C2CC2)n1C)CC(C)(C)CN1CCOCC1 ZINC000123977965 407344487 /nfs/dbraw/zinc/34/44/87/407344487.db2.gz NREDYYPZIZPLQU-UHFFFAOYSA-N 0 1 321.469 1.483 10 0 DDAEMN OC[C@@H](O)CSCc1nc2ccc(Br)cc2[nH]1 ZINC000185562213 407452902 /nfs/dbraw/zinc/45/29/02/407452902.db2.gz YTKIPWFWHPTMHP-MRVPVSSYSA-N 0 1 317.208 1.912 10 0 DDAEMN CNC(=O)c1cccc(CN2CCN(CCOC)[C@@H](C)C2)c1 ZINC000113932465 407530526 /nfs/dbraw/zinc/53/05/26/407530526.db2.gz XSAQTUHWRXKIQB-AWEZNQCLSA-N 0 1 305.422 1.199 10 0 DDAEMN Cn1cc(CN2CCCN(Cc3ncc(Cl)n3C)CC2)cn1 ZINC000171592304 407715129 /nfs/dbraw/zinc/71/51/29/407715129.db2.gz RGWOAEWYKIBDJR-UHFFFAOYSA-N 0 1 322.844 1.515 10 0 DDAEMN Cc1ccccc1CC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186649807 407728654 /nfs/dbraw/zinc/72/86/54/407728654.db2.gz NGZQVBWNBOEGLG-INIZCTEOSA-N 0 1 318.417 1.935 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1CC ZINC000116772387 407771896 /nfs/dbraw/zinc/77/18/96/407771896.db2.gz LUAZNHNICIWBML-AWEZNQCLSA-N 0 1 307.394 1.360 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000262233125 407772015 /nfs/dbraw/zinc/77/20/15/407772015.db2.gz QRUUMAZFEFNBJZ-HNNXBMFYSA-N 0 1 319.405 1.615 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000262268594 407777936 /nfs/dbraw/zinc/77/79/36/407777936.db2.gz VIZLANJYMYHOSP-MRVPVSSYSA-N 0 1 310.247 1.679 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000262264360 407780049 /nfs/dbraw/zinc/78/00/49/407780049.db2.gz JSMPZAUMXUBACT-BXKDBHETSA-N 0 1 315.211 1.470 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000262363066 407811250 /nfs/dbraw/zinc/81/12/50/407811250.db2.gz VVFLTLBYTJPJPW-GFCCVEGCSA-N 0 1 320.311 1.355 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262447290 407837325 /nfs/dbraw/zinc/83/73/25/407837325.db2.gz GTYQOBUAYQJACY-CHWSQXEVSA-N 0 1 313.442 1.161 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3ccc(O)cc3)CCO2)n[nH]1 ZINC000180086095 407853329 /nfs/dbraw/zinc/85/33/29/407853329.db2.gz OXERCPHXBKEFSG-BTKRWWFXSA-N 0 1 314.345 1.432 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2scnc2C)CC1 ZINC000187475401 407861765 /nfs/dbraw/zinc/86/17/65/407861765.db2.gz JLPPAXXTATYGCQ-MUBLQREKSA-N 0 1 309.435 1.380 10 0 DDAEMN C[C@@H]1CC[C@@H](CC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)C1 ZINC000262675798 407898136 /nfs/dbraw/zinc/89/81/36/407898136.db2.gz AIRULIMRHDMKPJ-MGPQQGTHSA-N 0 1 312.410 1.057 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000173882641 407900595 /nfs/dbraw/zinc/90/05/95/407900595.db2.gz OAWRDYCIBRAJFK-HZMBPMFUSA-N 0 1 318.389 1.972 10 0 DDAEMN CCC(C)(C)NC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262489785 407846881 /nfs/dbraw/zinc/84/68/81/407846881.db2.gz WNMKAJFBEVBIER-LBPRGKRZSA-N 0 1 313.442 1.161 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000118857464 407954711 /nfs/dbraw/zinc/95/47/11/407954711.db2.gz ZPIFIHIPYVXFEC-JYJNAYRXSA-N 0 1 311.470 1.164 10 0 DDAEMN COc1ccc(C)cc1CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262866897 407958742 /nfs/dbraw/zinc/95/87/42/407958742.db2.gz LXIHRKLFAXKALB-OAHLLOKOSA-N 0 1 322.405 1.221 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181176984 407963154 /nfs/dbraw/zinc/96/31/54/407963154.db2.gz XSTRDHGDZAIXOP-GOEBONIOSA-N 0 1 309.454 1.929 10 0 DDAEMN COC[C@@H](C)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180746430 407915427 /nfs/dbraw/zinc/91/54/27/407915427.db2.gz UPNUCNXLLABYHV-OAHLLOKOSA-N 0 1 312.454 1.620 10 0 DDAEMN COC(=O)c1ccc(=O)n(CCN(C)Cc2ccc(F)cc2)n1 ZINC000189298212 408006718 /nfs/dbraw/zinc/00/67/18/408006718.db2.gz XUUNMZFQGBQNDU-UHFFFAOYSA-N 0 1 319.336 1.301 10 0 DDAEMN C[C@@H](C(=O)[O-])[N@@H+](CCC(=O)N1CCc2sccc2C1)C1CC1 ZINC000263048315 408011930 /nfs/dbraw/zinc/01/19/30/408011930.db2.gz DEYLDERASUXVOD-NSHDSACASA-N 0 1 322.430 1.960 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccnc(C)c3)CCO2)n[nH]1 ZINC000119480162 408079279 /nfs/dbraw/zinc/07/92/79/408079279.db2.gz SSWAANPIUBNBDO-LBPRGKRZSA-N 0 1 302.338 1.422 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)N(C)Cc1ccccc1)N(C)C ZINC000137029382 408135816 /nfs/dbraw/zinc/13/58/16/408135816.db2.gz YKSRQJAMPZBXPW-OAHLLOKOSA-N 0 1 305.422 1.492 10 0 DDAEMN C[C@@H](CCN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263487474 408153103 /nfs/dbraw/zinc/15/31/03/408153103.db2.gz HSKXBPTZFRXUEC-DOTOQJQBSA-N 0 1 320.433 1.897 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cc3cccnc3o2)C1 ZINC000263499870 408157173 /nfs/dbraw/zinc/15/71/73/408157173.db2.gz KNDFIIHGNCDVCT-UHFFFAOYSA-N 0 1 303.362 1.855 10 0 DDAEMN Cc1nc([C@@H]2CN(c3nnc(C(F)(F)F)s3)CCO2)n[nH]1 ZINC000155417122 408163935 /nfs/dbraw/zinc/16/39/35/408163935.db2.gz CUUYUZWUJLFZMI-LURJTMIESA-N 0 1 320.300 1.561 10 0 DDAEMN CCOCCN1CCN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1C ZINC000139357546 408170102 /nfs/dbraw/zinc/17/01/02/408170102.db2.gz BTCLKMGCWPUEBZ-AWEZNQCLSA-N 0 1 323.441 1.087 10 0 DDAEMN C[C@@H]1CN(CC(=O)NC2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000246367035 408234015 /nfs/dbraw/zinc/23/40/15/408234015.db2.gz HBTYWFZWXROFLM-MYBQVCMBSA-N 0 1 323.481 1.334 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3cscn3)CCO2)n[nH]1 ZINC000138067297 162128517 /nfs/dbraw/zinc/12/85/17/162128517.db2.gz AYQRQVVMZIHVIO-SNVBAGLBSA-N 0 1 322.394 1.107 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1C ZINC000246939694 408370762 /nfs/dbraw/zinc/37/07/62/408370762.db2.gz ZXSARSDFZJAEMI-KBPBESRZSA-N 0 1 315.417 1.705 10 0 DDAEMN O=C(c1ccn[nH]1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176441465 408368303 /nfs/dbraw/zinc/36/83/03/408368303.db2.gz JETNTNBQBQZVLZ-GFCCVEGCSA-N 0 1 300.366 1.705 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccnc(Cl)c3)CCO2)n[nH]1 ZINC000173531553 162344812 /nfs/dbraw/zinc/34/48/12/162344812.db2.gz SGKHGCTVWZKMEA-JTQLQIEISA-N 0 1 307.741 1.375 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)n[nH]1 ZINC000173538244 162346969 /nfs/dbraw/zinc/34/69/69/162346969.db2.gz DFEUTZWIWMKUBD-ZDUSSCGKSA-N 0 1 301.350 1.339 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccnc4ccccc43)CCO2)n[nH]1 ZINC000173605899 162350618 /nfs/dbraw/zinc/35/06/18/162350618.db2.gz DWSMMQJIZZMQNH-HNNXBMFYSA-N 0 1 323.356 1.875 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cc(-c4ccco4)on3)CCO2)n[nH]1 ZINC000173683564 162358246 /nfs/dbraw/zinc/35/82/46/162358246.db2.gz SONBHSDOWIVUEC-AWEZNQCLSA-N 0 1 315.333 1.935 10 0 DDAEMN O[C@@H](CN1CCC[C@@H](n2cncn2)C1)c1ccc(F)cc1F ZINC000247401230 408465036 /nfs/dbraw/zinc/46/50/36/408465036.db2.gz YMMJREUZDLNGSG-DOMZBBRYSA-N 0 1 308.332 1.927 10 0 DDAEMN C[C@@H](C(=O)NCCc1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000248368431 408552458 /nfs/dbraw/zinc/55/24/58/408552458.db2.gz VEMPWWGTMJCYCK-GJZGRUSLSA-N 0 1 321.490 1.965 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)o1 ZINC000177274912 408570870 /nfs/dbraw/zinc/57/08/70/408570870.db2.gz YOGZWBNQOUCNDV-OCCSQVGLSA-N 0 1 308.378 1.219 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(C)c2)CCN1C[C@H](C)O ZINC000248462691 408573904 /nfs/dbraw/zinc/57/39/04/408573904.db2.gz WPRPCYBVYYFGFF-RDJZCZTQSA-N 0 1 319.449 1.982 10 0 DDAEMN CCCCOC[C@H](O)CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000248663571 408610357 /nfs/dbraw/zinc/61/03/57/408610357.db2.gz ZUEWMSCXPCXXLS-LVQVYYBASA-N 0 1 301.427 1.432 10 0 DDAEMN CCCCOC[C@H](O)CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000248663573 408611574 /nfs/dbraw/zinc/61/15/74/408611574.db2.gz ZUEWMSCXPCXXLS-QKPAOTATSA-N 0 1 301.427 1.432 10 0 DDAEMN Cc1cccc(F)c1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000184701749 408670228 /nfs/dbraw/zinc/67/02/28/408670228.db2.gz HOHMOVCXLHVEHZ-QWHCGFSZSA-N 0 1 312.410 1.991 10 0 DDAEMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184729883 408678887 /nfs/dbraw/zinc/67/88/87/408678887.db2.gz WZMHYVIDRXPCRS-WRFANHODSA-N 0 1 320.433 1.242 10 0 DDAEMN O[C@@H](CN1CC[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000252481294 408797615 /nfs/dbraw/zinc/79/76/15/408797615.db2.gz UQIXGCYSCKSQOR-CVEARBPZSA-N 0 1 310.825 1.780 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3cnn(CC)c3)CCO2)n[nH]1 ZINC000178013184 408755977 /nfs/dbraw/zinc/75/59/77/408755977.db2.gz PUOPVKYOPXABPI-NSHDSACASA-N 0 1 319.369 1.189 10 0 DDAEMN CCOc1ncccc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000194156115 408767979 /nfs/dbraw/zinc/76/79/79/408767979.db2.gz PDQKSPUCUOIUTE-GFCCVEGCSA-N 0 1 320.393 1.019 10 0 DDAEMN CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190086184 163129601 /nfs/dbraw/zinc/12/96/01/163129601.db2.gz UDRFJAVMPGYAQS-JQWIXIFHSA-N 0 1 320.393 1.179 10 0 DDAEMN CC(C)c1nnc2n1C[C@H](Nc1ccncc1C(N)=O)CC2 ZINC000184103185 306713127 /nfs/dbraw/zinc/71/31/27/306713127.db2.gz YQJHANCDHLEVFQ-SNVBAGLBSA-N 0 1 300.366 1.322 10 0 DDAEMN CN(C)[C@@H](CNc1nccc(C(F)(F)F)n1)c1cnn(C)c1 ZINC000301261137 410687446 /nfs/dbraw/zinc/68/74/46/410687446.db2.gz CYWSCANKAVFALM-JTQLQIEISA-N 0 1 314.315 1.944 10 0 DDAEMN Cc1cc(N(C)CCNS(C)(=O)=O)c2cc(F)ccc2n1 ZINC000301649733 410764047 /nfs/dbraw/zinc/76/40/47/410764047.db2.gz FORZMQSPZDQXJL-UHFFFAOYSA-N 0 1 311.382 1.668 10 0 DDAEMN CCCc1cnc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)s1 ZINC000190403457 222077846 /nfs/dbraw/zinc/07/78/46/222077846.db2.gz PDEDDTREQCAGFI-LLVKDONJSA-N 0 1 324.450 1.635 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000375079935 418600849 /nfs/dbraw/zinc/60/08/49/418600849.db2.gz JDOXVWWSXYLTOQ-HSMVNMDESA-N 0 1 304.394 1.063 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000375079935 418600852 /nfs/dbraw/zinc/60/08/52/418600852.db2.gz JDOXVWWSXYLTOQ-HSMVNMDESA-N 0 1 304.394 1.063 10 0 DDAEMN CCO[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000401908042 418766765 /nfs/dbraw/zinc/76/67/65/418766765.db2.gz SBIZQKZBLJSFLU-FUHWJXTLSA-N 0 1 318.417 1.573 10 0 DDAEMN C[C@H](OCc1ccccc1)C(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404557785 418771857 /nfs/dbraw/zinc/77/18/57/418771857.db2.gz UTZTYXABBCKTBI-CWRNSKLLSA-N 0 1 304.390 1.181 10 0 DDAEMN COc1nsc(CNC2CC(CO)C2)c1Br ZINC000630075550 421872913 /nfs/dbraw/zinc/87/29/13/421872913.db2.gz YEPOUMBFJIHOPI-UHFFFAOYSA-N 0 1 307.213 1.775 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)C1 ZINC000630655951 422245827 /nfs/dbraw/zinc/24/58/27/422245827.db2.gz GHOCKAAIUCKZFF-VNQPRFMTSA-N 0 1 316.401 1.973 10 0 DDAEMN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)C1 ZINC000630655951 422245833 /nfs/dbraw/zinc/24/58/33/422245833.db2.gz GHOCKAAIUCKZFF-VNQPRFMTSA-N 0 1 316.401 1.973 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCO[C@H](n2ccnc2)CC1 ZINC000616593998 422513790 /nfs/dbraw/zinc/51/37/90/422513790.db2.gz NBBYGBZUIPKRRS-ZDUSSCGKSA-N 0 1 310.398 1.629 10 0 DDAEMN CC1(C)CN(C(=O)[C@H](N)CCS(C)(=O)=O)Cc2ccccc21 ZINC000262596067 278315760 /nfs/dbraw/zinc/31/57/60/278315760.db2.gz WRGQOOXYJJJSHZ-CQSZACIVSA-N 0 1 324.446 1.068 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(F)ccc2O)CCN1C[C@H](C)O ZINC000246806411 282015864 /nfs/dbraw/zinc/01/58/64/282015864.db2.gz QWKRYPWHRYEHEC-WCQYABFASA-N 0 1 310.369 1.449 10 0 DDAEMN CN1CC[C@@H]([N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423155 300394232 /nfs/dbraw/zinc/39/42/32/300394232.db2.gz OYJGFHSBAWPSBO-GXSJLCMTSA-N 0 1 316.327 1.839 10 0 DDAEMN CN1CC[C@@H](N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000364423155 300394233 /nfs/dbraw/zinc/39/42/33/300394233.db2.gz OYJGFHSBAWPSBO-GXSJLCMTSA-N 0 1 316.327 1.839 10 0 DDAEMN O=S(=O)(c1ccccc1O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250251887 484244436 /nfs/dbraw/zinc/24/44/36/484244436.db2.gz YMOLOJZTOUKDCP-WFASDCNBSA-N 0 1 311.403 1.708 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(C)cc3C)CCO2)n[nH]1 ZINC000173523361 526537306 /nfs/dbraw/zinc/53/73/06/526537306.db2.gz IDXBQZQZEVUTMP-CQSZACIVSA-N 0 1 300.362 1.944 10 0 DDAEMN CC[N@@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000122558014 696723119 /nfs/dbraw/zinc/72/31/19/696723119.db2.gz FLSAXUZOKLXXPY-FQNOHDAGSA-N 0 1 322.430 1.978 10 0 DDAEMN CC[N@H+]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000122558014 696723121 /nfs/dbraw/zinc/72/31/21/696723121.db2.gz FLSAXUZOKLXXPY-FQNOHDAGSA-N 0 1 322.430 1.978 10 0 DDAEMN CN(CC(=O)N1CCNCC1)c1ncc(Cl)cc1Cl ZINC000038031673 696135179 /nfs/dbraw/zinc/13/51/79/696135179.db2.gz LMNDUJWSNPUEMX-UHFFFAOYSA-N 0 1 303.193 1.256 10 0 DDAEMN COCCN1CCN(Cn2cnc(-c3ccccc3)n2)C[C@@H]1C ZINC000117864249 696671721 /nfs/dbraw/zinc/67/17/21/696671721.db2.gz USXAENNQHZNONB-HNNXBMFYSA-N 0 1 315.421 1.555 10 0 DDAEMN CC[C@H]1CC(=O)N(CN2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000119343680 696679786 /nfs/dbraw/zinc/67/97/86/696679786.db2.gz RVMJFDCQFHOPHD-HOTGVXAUSA-N 0 1 319.453 1.823 10 0 DDAEMN CCN1CCN(c2nc(C)nc3c2NC(=O)[C@@H](C(C)C)N3)CC1 ZINC000224030521 697763746 /nfs/dbraw/zinc/76/37/46/697763746.db2.gz FDTVZIWHCAULGJ-GFCCVEGCSA-N 0 1 318.425 1.316 10 0 DDAEMN COCCN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C[C@@H]1C ZINC000247039292 698360353 /nfs/dbraw/zinc/36/03/53/698360353.db2.gz DQDWDBQWGRQKPC-BLLLJJGKSA-N 0 1 314.376 1.651 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000262354777 698466066 /nfs/dbraw/zinc/46/60/66/698466066.db2.gz UWCHQFBYSAGQNK-SNVBAGLBSA-N 0 1 306.284 1.848 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000262365560 698466418 /nfs/dbraw/zinc/46/64/18/698466418.db2.gz WBDAEIJKCQHTTL-ZDUSSCGKSA-N 0 1 314.332 1.308 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccc(C)c2)C1 ZINC000262935654 698485082 /nfs/dbraw/zinc/48/50/82/698485082.db2.gz GVJIITJLBCWCQO-UHFFFAOYSA-N 0 1 319.405 1.732 10 0 DDAEMN COC(=O)[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@@H]1C ZINC000309567035 698664835 /nfs/dbraw/zinc/66/48/35/698664835.db2.gz GQJNMHPQLUEUHA-DZGCQCFKSA-N 0 1 304.390 1.386 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1nccn1C ZINC000702765513 699232451 /nfs/dbraw/zinc/23/24/51/699232451.db2.gz LFMIKKKSGZEZEF-YNEHKIRRSA-N 0 1 324.425 1.299 10 0 DDAEMN COc1ccc([C@@H](C)C(=O)N2CCC(c3nn[nH]n3)CC2)cc1 ZINC000737073755 699736232 /nfs/dbraw/zinc/73/62/32/699736232.db2.gz SPUQXPKHQORWSX-LLVKDONJSA-N 0 1 315.377 1.718 10 0 DDAEMN Cn1cc(O[C@@H]2COC[C@@H]2NCc2cc3cccnc3o2)cn1 ZINC000862496507 705724885 /nfs/dbraw/zinc/72/48/85/705724885.db2.gz YROJGKSMJUWFDO-LSDHHAIUSA-N 0 1 314.345 1.497 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(c3ncc(F)cn3)C2)ccn1 ZINC000886068808 708691785 /nfs/dbraw/zinc/69/17/85/708691785.db2.gz VBVXSSTVKOMVSU-HNNXBMFYSA-N 0 1 317.368 1.730 10 0 DDAEMN O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cc[nH]c2)C1 ZINC000886079082 708693925 /nfs/dbraw/zinc/69/39/25/708693925.db2.gz HCIFNLCVVIMADA-MRXNPFEDSA-N 0 1 302.378 1.845 10 0 DDAEMN Nc1ccc([C@@H]2CCCN2C(=O)c2ccc3cncn3c2)nn1 ZINC000886097034 708697597 /nfs/dbraw/zinc/69/75/97/708697597.db2.gz JJBCKWJLVCUTEN-AWEZNQCLSA-N 0 1 308.345 1.684 10 0 DDAEMN CO[C@@H]1CN(Cc2cncn2C(C)C)C[C@H]1c1cn(C)nn1 ZINC000888078426 709210194 /nfs/dbraw/zinc/21/01/94/709210194.db2.gz QLCOPHKADOMVEI-DZGCQCFKSA-N 0 1 304.398 1.207 10 0 DDAEMN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2c2nn[nH]n2)n1 ZINC000900392507 709572805 /nfs/dbraw/zinc/57/28/05/709572805.db2.gz ANSOJPGNGTUUIO-VXGBXAGGSA-N 0 1 303.370 1.328 10 0 DDAEMN O=C(CNc1ccccc1Cl)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900393993 709573519 /nfs/dbraw/zinc/57/35/19/709573519.db2.gz SULROWABHZNLNO-LLVKDONJSA-N 0 1 306.757 1.629 10 0 DDAEMN CCCCOC[C@@H](O)CN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000248661797 282097587 /nfs/dbraw/zinc/09/75/87/282097587.db2.gz XRAWJXYOWQTERW-KBPBESRZSA-N 0 1 307.456 1.063 10 0 DDAEMN O=S1(=O)CCCN1CCN1CCC[C@@H](c2nccs2)C1 ZINC000328667799 231300083 /nfs/dbraw/zinc/30/00/83/231300083.db2.gz LAKYJVSMUCWJES-GFCCVEGCSA-N 0 1 315.464 1.358 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(F)c(C)cc3F)CCO2)n[nH]1 ZINC000134427579 539192353 /nfs/dbraw/zinc/19/23/53/539192353.db2.gz ZZHGDBLUWMSZLR-ZDUSSCGKSA-N 0 1 322.315 1.913 10 0 DDAEMN O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000328672598 231301586 /nfs/dbraw/zinc/30/15/86/231301586.db2.gz OJZMZEOQEDTBCV-NWDGAFQWSA-N 0 1 305.382 1.800 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000081977076 192348573 /nfs/dbraw/zinc/34/85/73/192348573.db2.gz HGOZYDLJIQPABN-LSDHHAIUSA-N 0 1 313.419 1.689 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000183636871 539242523 /nfs/dbraw/zinc/24/25/23/539242523.db2.gz LRVUEBVFPJLOFY-OAHLLOKOSA-N 0 1 305.422 1.911 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)C(C)C ZINC000183634536 539242651 /nfs/dbraw/zinc/24/26/51/539242651.db2.gz LKDNNFUAXDQQMB-QGZVFWFLSA-N 0 1 317.433 1.538 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000189133899 539253101 /nfs/dbraw/zinc/25/31/01/539253101.db2.gz KETXMZPWEMVEPS-KGLIPLIRSA-N 0 1 306.472 1.451 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000088543470 185256794 /nfs/dbraw/zinc/25/67/94/185256794.db2.gz YADZSXIDAQOBHA-QWRGUYRKSA-N 0 1 302.396 1.187 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(CCOC)[C@H](C)CC)o1 ZINC000088544334 185256868 /nfs/dbraw/zinc/25/68/68/185256868.db2.gz GFZXKWROEUPJKD-GFCCVEGCSA-N 0 1 318.439 1.825 10 0 DDAEMN CN(C(=O)c1sc2nccnc2c1N)[C@H]1CCCN(C)C1 ZINC000088643122 185261314 /nfs/dbraw/zinc/26/13/14/185261314.db2.gz IKGWMYOYZIOTAM-VIFPVBQESA-N 0 1 305.407 1.440 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000088893622 185269778 /nfs/dbraw/zinc/26/97/78/185269778.db2.gz PSNHHMAYOZOLDG-VXGBXAGGSA-N 0 1 307.375 1.045 10 0 DDAEMN C[N@@H+](Cc1ccc(Br)o1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389030 185294147 /nfs/dbraw/zinc/29/41/47/185294147.db2.gz QCQAGKOOGWGJRV-IUCAKERBSA-N 0 1 304.140 1.574 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(F)c(CO)c1 ZINC000092678084 185333486 /nfs/dbraw/zinc/33/34/86/185333486.db2.gz ZKYMCJBHBZOECP-GFCCVEGCSA-N 0 1 316.398 1.033 10 0 DDAEMN CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780428 185340425 /nfs/dbraw/zinc/34/04/25/185340425.db2.gz QIDHQZDBXXZQLZ-JTQLQIEISA-N 0 1 310.810 1.798 10 0 DDAEMN CCn1cnc(S(=O)(=O)N2CCNCC23CCCCC3)c1 ZINC000092910621 185348643 /nfs/dbraw/zinc/34/86/43/185348643.db2.gz LEGGVFSOXBMSNR-UHFFFAOYSA-N 0 1 312.439 1.200 10 0 DDAEMN O=C([O-])c1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(F)(F)F)cc1 ZINC000616570078 539560004 /nfs/dbraw/zinc/56/00/04/539560004.db2.gz PVKDEROQNYTGAH-GHMZBOCLSA-N 0 1 316.279 1.509 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ncc(C)s3)CCO2)n[nH]1 ZINC000130023113 185929877 /nfs/dbraw/zinc/92/98/77/185929877.db2.gz QOGCOIZTUWXXRX-VIFPVBQESA-N 0 1 322.394 1.737 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2c(C)ccc(N)c2C)n[nH]1 ZINC000080511121 192164173 /nfs/dbraw/zinc/16/41/73/192164173.db2.gz AWJJTSJIKPPRMD-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN Cc1ccc(S(=O)(=O)NCCCc2nc[nH]n2)c(Cl)c1 ZINC000080590706 192170324 /nfs/dbraw/zinc/17/03/24/192170324.db2.gz ANKIXKCIFQSBQS-UHFFFAOYSA-N 0 1 314.798 1.678 10 0 DDAEMN CC[C@@H](C)NC(=O)Cn1c2ccc(OC)cc2nc1[C@H](C)N ZINC000071667931 191001779 /nfs/dbraw/zinc/00/17/79/191001779.db2.gz QYIYTLXHWQTDPU-MNOVXSKESA-N 0 1 304.394 1.979 10 0 DDAEMN O[C@H]1COCC[C@@H]1NCc1ccc(F)cc1Br ZINC000623766773 366045484 /nfs/dbraw/zinc/04/54/84/366045484.db2.gz LSYJOXHATQVYGY-RYUDHWBXSA-N 0 1 304.159 1.828 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)n[nH]1 ZINC000173566686 198227732 /nfs/dbraw/zinc/22/77/32/198227732.db2.gz FBUDJIFYZWAPJL-CYBMUJFWSA-N 0 1 318.352 1.649 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C)CC1 ZINC000174093684 198290004 /nfs/dbraw/zinc/29/00/04/198290004.db2.gz FKUCUWURGWQELJ-DLBZAZTESA-N 0 1 322.449 1.123 10 0 DDAEMN CCNC(=O)CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866168 353937919 /nfs/dbraw/zinc/93/79/19/353937919.db2.gz SMISIQNZLSYRDV-UHFFFAOYSA-N 0 1 321.469 1.282 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCCCSC)CCN1CCOC ZINC000153628906 354199880 /nfs/dbraw/zinc/19/98/80/354199880.db2.gz BJKZCLYVGIKDIL-AWEZNQCLSA-N 0 1 317.499 1.882 10 0 DDAEMN CCCc1cc(C(=O)N(C)C[C@H]2CCc3nccn3C2)n[nH]1 ZINC000328619574 354547264 /nfs/dbraw/zinc/54/72/64/354547264.db2.gz GAZNKNHEXUMNLL-GFCCVEGCSA-N 0 1 301.394 1.893 10 0 DDAEMN CN(C)CCNS(=O)(=O)c1ccc2c(c1)CCCS2 ZINC000074946211 191393444 /nfs/dbraw/zinc/39/34/44/191393444.db2.gz WEDUTCSPKXVSFA-UHFFFAOYSA-N 0 1 300.449 1.565 10 0 DDAEMN COC(=O)c1cc(NC(=O)[C@H]2C[C@H](F)CN2)ccc1Cl ZINC000592482386 355594538 /nfs/dbraw/zinc/59/45/38/355594538.db2.gz FZOCVXNTNUQDDK-WRWORJQWSA-N 0 1 300.717 1.765 10 0 DDAEMN NC(=O)[C@H](O)C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000299745881 283344000 /nfs/dbraw/zinc/34/40/00/283344000.db2.gz TUJBXYSISIDRJI-LSDHHAIUSA-N 0 1 308.809 1.886 10 0 DDAEMN N[C@H](C(=O)NC[C@@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000262712781 283612437 /nfs/dbraw/zinc/61/24/37/283612437.db2.gz RWYZIPVMRHFQIS-HOCLYGCPSA-N 0 1 311.389 1.262 10 0 DDAEMN CN(CCNS(=O)(=O)c1c[nH]c2cc(N)ccc21)C1CC1 ZINC000091500292 193065122 /nfs/dbraw/zinc/06/51/22/193065122.db2.gz CBHAGYZPGSUEGD-UHFFFAOYSA-N 0 1 308.407 1.123 10 0 DDAEMN Cc1cc(N)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092001316 193139669 /nfs/dbraw/zinc/13/96/69/193139669.db2.gz KWFAYTWZHFARTK-KGLIPLIRSA-N 0 1 309.435 1.434 10 0 DDAEMN Cn1ncc(C(N)=S)c1NC(=O)c1cc(Cl)ccc1O ZINC000093349475 193235978 /nfs/dbraw/zinc/23/59/78/193235978.db2.gz CHLGGUDWMSWGSG-UHFFFAOYSA-N 0 1 310.766 1.666 10 0 DDAEMN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000094345139 193362635 /nfs/dbraw/zinc/36/26/35/193362635.db2.gz MRFUPJUJZOMPES-KCJUWKMLSA-N 0 1 313.195 1.883 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000094638215 193386752 /nfs/dbraw/zinc/38/67/52/193386752.db2.gz DFMMQIVSTMWGIZ-JHJVBQTASA-N 0 1 303.424 1.671 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(N)cc1F ZINC000094457218 193371887 /nfs/dbraw/zinc/37/18/87/193371887.db2.gz HAZVJCOWWUPJDE-ZYHUDNBSSA-N 0 1 313.398 1.265 10 0 DDAEMN CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cn2)CC1 ZINC000020376924 182212913 /nfs/dbraw/zinc/21/29/13/182212913.db2.gz FKYRADCBPAUWRX-UHFFFAOYSA-N 0 1 302.300 1.724 10 0 DDAEMN Cc1cc(-c2ccccc2)nn(CCN2CCN(C)CC2)c1=O ZINC000022042285 182306414 /nfs/dbraw/zinc/30/64/14/182306414.db2.gz QCPTVEILVXHXPE-UHFFFAOYSA-N 0 1 312.417 1.466 10 0 DDAEMN CCOCCN1CCN(C(=O)CC2(O)CCCC2)C[C@@H]1CC ZINC000174919640 248387508 /nfs/dbraw/zinc/38/75/08/248387508.db2.gz ZHDRISUYTZTXSK-HNNXBMFYSA-N 0 1 312.454 1.641 10 0 DDAEMN C[NH+]1CCN(C(=O)COc2cc(Cl)ccc2C(=O)[O-])CC1 ZINC000042302212 183251868 /nfs/dbraw/zinc/25/18/68/183251868.db2.gz BOJUIDNLEGTGGW-UHFFFAOYSA-N 0 1 312.753 1.191 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2nc(-c3ccsc3)no2)C[C@@H]1C ZINC000105822910 194138145 /nfs/dbraw/zinc/13/81/45/194138145.db2.gz IEFIZUXGZAFLBV-NWDGAFQWSA-N 0 1 322.434 1.685 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(CC(C)C)no2)CCN1C[C@@H](C)O ZINC000105826695 194138232 /nfs/dbraw/zinc/13/82/32/194138232.db2.gz IMQZCFFTNBIGPM-ZIAGYGMSSA-N 0 1 310.442 1.545 10 0 DDAEMN C[C@H](C(=O)NC(C)(C)C)N1CCC(Nc2cccnn2)CC1 ZINC000105805102 194133709 /nfs/dbraw/zinc/13/37/09/194133709.db2.gz IMOCWHJEMLWVBY-GFCCVEGCSA-N 0 1 305.426 1.656 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000105836739 194142084 /nfs/dbraw/zinc/14/20/84/194142084.db2.gz WKBXFQIKSVOPHM-ARFHVFGLSA-N 0 1 313.486 1.722 10 0 DDAEMN Cn1cc(CN2CCCN(Cc3nccn3C(F)F)CC2)cn1 ZINC000105869566 194151656 /nfs/dbraw/zinc/15/16/56/194151656.db2.gz OUUJTGKJDCCOQR-UHFFFAOYSA-N 0 1 324.379 1.720 10 0 DDAEMN COCCN1CCN(Cc2cnn(-c3ccccc3)n2)C[C@H]1C ZINC000106107649 194185790 /nfs/dbraw/zinc/18/57/90/194185790.db2.gz UZYLRSFGZLLDAQ-OAHLLOKOSA-N 0 1 315.421 1.420 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000109457939 194265777 /nfs/dbraw/zinc/26/57/77/194265777.db2.gz VFXUECMSGXRFEL-LLVKDONJSA-N 0 1 309.410 1.187 10 0 DDAEMN CC[C@@](NCCOC)(C(N)=O)c1ccc(Br)cc1 ZINC000053259622 183896811 /nfs/dbraw/zinc/89/68/11/183896811.db2.gz HFAKUENRXRICGV-ZDUSSCGKSA-N 0 1 315.211 1.776 10 0 DDAEMN O=S(=O)(c1ccc(O)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000110432288 194329027 /nfs/dbraw/zinc/32/90/27/194329027.db2.gz NSPGVHZJFPDHFC-CYBMUJFWSA-N 0 1 310.419 1.641 10 0 DDAEMN C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000060285815 184145506 /nfs/dbraw/zinc/14/55/06/184145506.db2.gz FEMCSNQZNACGLE-UHFFFAOYSA-N 0 1 311.813 1.365 10 0 DDAEMN CNc1ncc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cn1 ZINC000061123027 184162327 /nfs/dbraw/zinc/16/23/27/184162327.db2.gz GFQDQAYEQHCHNI-UHFFFAOYSA-N 0 1 318.280 1.736 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(N)c1 ZINC000061642472 184180606 /nfs/dbraw/zinc/18/06/06/184180606.db2.gz FGOMJTMVSCMWOM-JTQLQIEISA-N 0 1 301.387 1.123 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000062878437 184258468 /nfs/dbraw/zinc/25/84/68/184258468.db2.gz SFGTUVYSOMAFNL-OAHLLOKOSA-N 0 1 300.399 1.106 10 0 DDAEMN O=S(=O)(NOCCN1CCCC1)c1ccc(Cl)s1 ZINC000062578399 184244291 /nfs/dbraw/zinc/24/42/91/184244291.db2.gz XAJSVTPBVHHFBX-UHFFFAOYSA-N 0 1 310.828 1.707 10 0 DDAEMN Nc1ccc(F)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000062975740 184264296 /nfs/dbraw/zinc/26/42/96/184264296.db2.gz SSRBKJJOJFUOBY-GFCCVEGCSA-N 0 1 313.398 1.267 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)CCc3ccnn3C)CC2)CCO1 ZINC000120503789 195179362 /nfs/dbraw/zinc/17/93/62/195179362.db2.gz ICLKASGAQUTDFW-AWEZNQCLSA-N 0 1 320.437 1.064 10 0 DDAEMN C/C=C\C=C/C(=O)OCC(=O)NC(=O)c1ccccc1OC ZINC000097655700 407301211 /nfs/dbraw/zinc/30/12/11/407301211.db2.gz RHGCZQDZOJFCFC-QQTPKPIZSA-N 0 1 303.314 1.627 10 0 DDAEMN CC1CCN(C(=O)CN2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000105883196 407356387 /nfs/dbraw/zinc/35/63/87/407356387.db2.gz DSUKUGMPTLFLLJ-HNNXBMFYSA-N 0 1 305.426 1.249 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2OC)C1 ZINC000127115488 407428473 /nfs/dbraw/zinc/42/84/73/407428473.db2.gz JZVQOIAQTWTPDX-LBPRGKRZSA-N 0 1 323.368 1.373 10 0 DDAEMN OCCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186086454 407571451 /nfs/dbraw/zinc/57/14/51/407571451.db2.gz ZGLYYXDBFIERGJ-ZDUSSCGKSA-N 0 1 308.179 1.910 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000170873515 407541859 /nfs/dbraw/zinc/54/18/59/407541859.db2.gz AQWHUSWGGMRXSQ-NSHDSACASA-N 0 1 303.815 1.201 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)n[nH]1 ZINC000129131181 407592039 /nfs/dbraw/zinc/59/20/39/407592039.db2.gz HTXPBJFLAIVZEY-LBPRGKRZSA-N 0 1 318.425 1.961 10 0 DDAEMN CC(C)c1nnc(CN[C@H](CC(N)=O)C2CCCCC2)n1C ZINC000182040197 306701918 /nfs/dbraw/zinc/70/19/18/306701918.db2.gz LJZBZUDUKVDRPE-CYBMUJFWSA-N 0 1 307.442 1.852 10 0 DDAEMN OC[C@@H]1C[C@H](O)CN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000186513226 407689260 /nfs/dbraw/zinc/68/92/60/407689260.db2.gz ZAYOQOLTWMLDDW-IHRRRGAJSA-N 0 1 310.781 1.261 10 0 DDAEMN O=C(c1cc(C2CC2)[nH]n1)N1CCC(Nc2cccnn2)CC1 ZINC000171556824 407704823 /nfs/dbraw/zinc/70/48/23/407704823.db2.gz KIIGJATWITUKRT-UHFFFAOYSA-N 0 1 312.377 1.794 10 0 DDAEMN CCN(CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)C1CC1 ZINC000179164921 407740931 /nfs/dbraw/zinc/74/09/31/407740931.db2.gz PMHBCFQKYQEOQX-GFCCVEGCSA-N 0 1 305.426 1.317 10 0 DDAEMN O=C(NCc1cccc(CO)c1)N1CCN2CCCC[C@@H]2C1 ZINC000171710359 407747871 /nfs/dbraw/zinc/74/78/71/407747871.db2.gz VJNZYUPJAKPUQK-MRXNPFEDSA-N 0 1 303.406 1.559 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1cc(Br)ccc1F ZINC000262197975 407764221 /nfs/dbraw/zinc/76/42/21/407764221.db2.gz CVHAYJWIXHJTPH-LLVKDONJSA-N 0 1 319.174 1.221 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000262220266 407770858 /nfs/dbraw/zinc/77/08/58/407770858.db2.gz FQEDIKBAJBWDHT-GFCCVEGCSA-N 0 1 315.211 1.424 10 0 DDAEMN CCOCCN1CCN(C(=O)CCOC(C)C)C[C@H]1CC ZINC000116770776 407773416 /nfs/dbraw/zinc/77/34/16/407773416.db2.gz BFOWBXMKLAUZTH-OAHLLOKOSA-N 0 1 300.443 1.761 10 0 DDAEMN CCc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)[nH]c(C)c1C(C)=O ZINC000116783727 407774135 /nfs/dbraw/zinc/77/41/35/407774135.db2.gz MIVYEWSIRXPSDX-ZDUSSCGKSA-N 0 1 321.421 1.491 10 0 DDAEMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H](N)COC ZINC000262288153 407784878 /nfs/dbraw/zinc/78/48/78/407784878.db2.gz MPYLWQDIZDXLNQ-ZDUSSCGKSA-N 0 1 307.394 1.064 10 0 DDAEMN CC[C@@H](NC(=O)[C@H](N)COC)c1ccccc1OC(F)F ZINC000262311934 407794448 /nfs/dbraw/zinc/79/44/48/407794448.db2.gz PDNUATZXQGXYSB-GHMZBOCLSA-N 0 1 302.321 1.829 10 0 DDAEMN CCOCCNC(=O)N1CCN(CCOCC)[C@H](CC)C1 ZINC000117029815 407807601 /nfs/dbraw/zinc/80/76/01/407807601.db2.gz IVXIXBQKTKASII-CQSZACIVSA-N 0 1 301.431 1.165 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000117399025 407833283 /nfs/dbraw/zinc/83/32/83/407833283.db2.gz RQXHSVNYAXUVFZ-AWEZNQCLSA-N 0 1 323.441 1.868 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3cccnc3)CCO2)n[nH]1 ZINC000173687760 407893736 /nfs/dbraw/zinc/89/37/36/407893736.db2.gz DSGNEEQROYYLHW-GFCCVEGCSA-N 0 1 316.365 1.045 10 0 DDAEMN CC(C)CN(C(=O)CN1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000173991381 407908423 /nfs/dbraw/zinc/90/84/23/407908423.db2.gz ZFKITCCUGLRODO-INIZCTEOSA-N 0 1 309.454 1.040 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000262723700 407909477 /nfs/dbraw/zinc/90/94/77/407909477.db2.gz RCKVJQPSYQIUKB-UHFFFAOYSA-N 0 1 308.382 1.200 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000118857287 407953627 /nfs/dbraw/zinc/95/36/27/407953627.db2.gz AMJFUSOMAWPNJK-HNNXBMFYSA-N 0 1 306.406 1.346 10 0 DDAEMN CCc1ccc(NC(=O)CN2CCN(C[C@@H](O)CC)CC2)cc1 ZINC000118859335 407957180 /nfs/dbraw/zinc/95/71/80/407957180.db2.gz NMQQMNQUSGTMMN-KRWDZBQOSA-N 0 1 319.449 1.576 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC3(OC)CCC3)CCO2)n[nH]1 ZINC000181796177 408041152 /nfs/dbraw/zinc/04/11/52/408041152.db2.gz DRLYCWPUVNWLLN-NSHDSACASA-N 0 1 323.397 1.019 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Cl)s2)CCO1 ZINC000262980813 407992083 /nfs/dbraw/zinc/99/20/83/407992083.db2.gz YRLJYQBKNDQLPK-SNVBAGLBSA-N 0 1 318.826 1.619 10 0 DDAEMN CC[C@H](CSC)NC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000245869568 408083615 /nfs/dbraw/zinc/08/36/15/408083615.db2.gz KWERRJXGBGWHPU-ZIAGYGMSSA-N 0 1 317.499 1.880 10 0 DDAEMN Cc1cc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c(C)o1 ZINC000245900529 408093623 /nfs/dbraw/zinc/09/36/23/408093623.db2.gz NVCJDPCTRCZEOW-ZWNOBZJWSA-N 0 1 300.424 1.903 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000182222495 408099723 /nfs/dbraw/zinc/09/97/23/408099723.db2.gz OSDLHQUPJXSTJF-HRCADAONSA-N 0 1 312.454 1.617 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccc(F)cc3)CCO2)n[nH]1 ZINC000175294752 408100042 /nfs/dbraw/zinc/10/00/42/408100042.db2.gz JROPOUQCYDLHIX-CYBMUJFWSA-N 0 1 319.340 1.535 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000175392941 408118324 /nfs/dbraw/zinc/11/83/24/408118324.db2.gz DGHYJZSLBDYTJA-CYBMUJFWSA-N 0 1 312.435 1.800 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000175390398 408118723 /nfs/dbraw/zinc/11/87/23/408118723.db2.gz RVGOVQDNEBICFK-AWEZNQCLSA-N 0 1 324.446 1.726 10 0 DDAEMN C[C@H](O)CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1C ZINC000246051886 408128900 /nfs/dbraw/zinc/12/89/00/408128900.db2.gz WCWGCLGUEYRVOT-HLLBOEOZSA-N 0 1 317.433 1.179 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)CC(F)(F)F)C1 ZINC000263449989 408143543 /nfs/dbraw/zinc/14/35/43/408143543.db2.gz AEFOQJITQFMMKP-UHFFFAOYSA-N 0 1 311.304 1.128 10 0 DDAEMN Cc1cc(C)n2c(CN3CC[C@@H](N4CCOCC4)C3)cnc2n1 ZINC000121018210 408150185 /nfs/dbraw/zinc/15/01/85/408150185.db2.gz KLGQMWPJFGOQAL-OAHLLOKOSA-N 0 1 315.421 1.253 10 0 DDAEMN CCOc1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000263534106 408164949 /nfs/dbraw/zinc/16/49/49/408164949.db2.gz YEIDYPSIYAXBNB-INIZCTEOSA-N 0 1 322.405 1.303 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CCCOC(C)C)CCO2)n[nH]1 ZINC000182482282 408174777 /nfs/dbraw/zinc/17/47/77/408174777.db2.gz UGEYKQVZHBJQFS-GFCCVEGCSA-N 0 1 310.398 1.472 10 0 DDAEMN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000176206760 408310528 /nfs/dbraw/zinc/31/05/28/408310528.db2.gz YHVGLAZCICBHPU-NXEZZACHSA-N 0 1 311.386 1.675 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246880499 408359725 /nfs/dbraw/zinc/35/97/25/408359725.db2.gz GQOOTMNJCLCSBQ-GMXVVIOVSA-N 0 1 309.414 1.180 10 0 DDAEMN C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000171867214 162244493 /nfs/dbraw/zinc/24/44/93/162244493.db2.gz FWVXOOLNNODDAY-CRAIPNDOSA-N 0 1 313.445 1.740 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3cc(C)ccc3C)CCO2)n[nH]1 ZINC000173516214 162344906 /nfs/dbraw/zinc/34/49/06/162344906.db2.gz GPDMANAYELADLT-OAHLLOKOSA-N 0 1 314.389 1.873 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)n[nH]1 ZINC000173672933 162355773 /nfs/dbraw/zinc/35/57/73/162355773.db2.gz QEMMYZDYCYRBMI-NSHDSACASA-N 0 1 316.321 1.330 10 0 DDAEMN CCC(CC)CS(=O)(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173735139 162359688 /nfs/dbraw/zinc/35/96/88/162359688.db2.gz CLESNCWEEXSUIR-LBPRGKRZSA-N 0 1 316.427 1.252 10 0 DDAEMN Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCO2)n[nH]1 ZINC000173733526 162359719 /nfs/dbraw/zinc/35/97/19/162359719.db2.gz MAHNWHREOAXMQS-CYBMUJFWSA-N 0 1 322.390 1.184 10 0 DDAEMN CC[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000183579858 408446214 /nfs/dbraw/zinc/44/62/14/408446214.db2.gz LAGWKPFQNBHPFJ-PXTSUWAFSA-N 0 1 304.390 1.321 10 0 DDAEMN C[C@@H]1CN([C@@H](CNC(=O)CN(C)C)c2cccs2)CCO1 ZINC000176587421 408399863 /nfs/dbraw/zinc/39/98/63/408399863.db2.gz UQCWJLGUJHNGQG-OLZOCXBDSA-N 0 1 311.451 1.188 10 0 DDAEMN C[C@H](O)CN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)C[C@@H]1C ZINC000247112954 408409561 /nfs/dbraw/zinc/40/95/61/408409561.db2.gz JBFBYFZLBCEHLQ-YQQAZPJKSA-N 0 1 319.449 1.203 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176736574 408428488 /nfs/dbraw/zinc/42/84/88/408428488.db2.gz ODXWMZCALMDUJJ-GFCCVEGCSA-N 0 1 305.338 1.667 10 0 DDAEMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000248032472 408528313 /nfs/dbraw/zinc/52/83/13/408528313.db2.gz QUUNEIMNUXTHIT-SUMWQHHRSA-N 0 1 323.437 1.382 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247385286 408462794 /nfs/dbraw/zinc/46/27/94/408462794.db2.gz WKBXFQIKSVOPHM-XHSDSOJGSA-N 0 1 313.486 1.722 10 0 DDAEMN O[C@@H](COc1ccccc1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247397355 408465698 /nfs/dbraw/zinc/46/56/98/408465698.db2.gz XYQCHYYXHDGTPP-HUUCEWRRSA-N 0 1 302.378 1.355 10 0 DDAEMN COC(=O)c1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)o1 ZINC000177274929 408570235 /nfs/dbraw/zinc/57/02/35/408570235.db2.gz YOGZWBNQOUCNDV-JSGCOSHPSA-N 0 1 308.378 1.219 10 0 DDAEMN CSCCCCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248615956 408598010 /nfs/dbraw/zinc/59/80/10/408598010.db2.gz LWUIHYRLSQOELH-OLZOCXBDSA-N 0 1 303.472 1.226 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3ccoc3)CCO2)n[nH]1 ZINC000177997188 408752881 /nfs/dbraw/zinc/75/28/81/408752881.db2.gz JBGLNEIBKUWCNS-NSHDSACASA-N 0 1 305.338 1.243 10 0 DDAEMN CCOC(=O)N1CCCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000194957943 163301869 /nfs/dbraw/zinc/30/18/69/163301869.db2.gz WTHKCNSYSNZULA-CYBMUJFWSA-N 0 1 302.415 1.327 10 0 DDAEMN O=C(CN1CC[C@H](CNc2ccccn2)C1)N1CCCCC1 ZINC000195515691 163326216 /nfs/dbraw/zinc/32/62/16/163326216.db2.gz ZKCRGXMMCJVALL-OAHLLOKOSA-N 0 1 302.422 1.828 10 0 DDAEMN CNC(=O)CN1CCC(CN(C)c2nc(C(C)C)no2)CC1 ZINC000301352646 410706151 /nfs/dbraw/zinc/70/61/51/410706151.db2.gz JOXSKMNVPLECIY-UHFFFAOYSA-N 0 1 309.414 1.087 10 0 DDAEMN COCCN1C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C)CC[C@@H]21 ZINC000299742691 229379656 /nfs/dbraw/zinc/37/96/56/229379656.db2.gz IKNMBEBOUCMOJP-CVEARBPZSA-N 0 1 321.396 1.749 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000583617862 422203300 /nfs/dbraw/zinc/20/33/00/422203300.db2.gz AJOYXCFNFLSAQD-MRXNPFEDSA-N 0 1 316.409 1.600 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630673843 422258061 /nfs/dbraw/zinc/25/80/61/422258061.db2.gz WUEYGYACCIBEON-NGFQHRJXSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630673843 422258065 /nfs/dbraw/zinc/25/80/65/422258065.db2.gz WUEYGYACCIBEON-NGFQHRJXSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000638010729 422552215 /nfs/dbraw/zinc/55/22/15/422552215.db2.gz LXMOZWMPNUEBRY-RKTXRCNFSA-N 0 1 320.433 1.586 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N1CCn2ccnc2C1 ZINC000638096792 422659376 /nfs/dbraw/zinc/65/93/76/422659376.db2.gz MINFKGYDSTZCAQ-XJKSGUPXSA-N 0 1 314.389 1.158 10 0 DDAEMN CN1CCN(C[C@@H](O)Cc2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000644933023 424051908 /nfs/dbraw/zinc/05/19/08/424051908.db2.gz JNSQBJYDYAUXDR-HOTGVXAUSA-N 0 1 300.406 1.302 10 0 DDAEMN O[C@@H]1C[C@H](NCc2ccnn2-c2ccccc2)[C@H]1n1cccn1 ZINC000657516192 424393946 /nfs/dbraw/zinc/39/39/46/424393946.db2.gz BSHWHQJXTBNCFE-GVDBMIGSSA-N 0 1 309.373 1.533 10 0 DDAEMN CCN(C)[C@@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000245858165 279043423 /nfs/dbraw/zinc/04/34/23/279043423.db2.gz PJQYBKYEXGOQFG-JKSUJKDBSA-N 0 1 305.422 1.126 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc2c1CCCCC2 ZINC000188131830 279134910 /nfs/dbraw/zinc/13/49/10/279134910.db2.gz OLURTIFAXZIDAW-ZDUSSCGKSA-N 0 1 314.393 1.843 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000248580696 290094562 /nfs/dbraw/zinc/09/45/62/290094562.db2.gz FIBGKOGCANPXAF-KBXIAJHMSA-N 0 1 311.470 1.908 10 0 DDAEMN C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000263559564 298001136 /nfs/dbraw/zinc/00/11/36/298001136.db2.gz QLRZDECPEIRIMI-OLZOCXBDSA-N 0 1 304.390 1.971 10 0 DDAEMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)[C@H]1CNC(=O)C1 ZINC000172176902 298242865 /nfs/dbraw/zinc/24/28/65/298242865.db2.gz FJQGWLHJMWUNRN-SNVBAGLBSA-N 0 1 321.340 1.700 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369084005 301129761 /nfs/dbraw/zinc/12/97/61/301129761.db2.gz KUEVCCWAFDQGFH-ZJUUUORDSA-N 0 1 314.336 1.702 10 0 DDAEMN NC(=O)c1cnccc1NCC(=O)N1CCc2sccc2C1 ZINC000302214954 534506848 /nfs/dbraw/zinc/50/68/48/534506848.db2.gz IQZCXSGSXPFDCL-UHFFFAOYSA-N 0 1 316.386 1.239 10 0 DDAEMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCCc1ccnn1C)C2 ZINC000299742788 528322952 /nfs/dbraw/zinc/32/29/52/528322952.db2.gz KIGSBJGUELHCOG-LBPRGKRZSA-N 0 1 315.421 1.730 10 0 DDAEMN CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000055312236 696283450 /nfs/dbraw/zinc/28/34/50/696283450.db2.gz ZPTXXRGKGYORLJ-JTQLQIEISA-N 0 1 316.379 1.049 10 0 DDAEMN CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2C)C1 ZINC000055312236 696283451 /nfs/dbraw/zinc/28/34/51/696283451.db2.gz ZPTXXRGKGYORLJ-JTQLQIEISA-N 0 1 316.379 1.049 10 0 DDAEMN CO[C@H]1CCC[N@@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000170903047 697351472 /nfs/dbraw/zinc/35/14/72/697351472.db2.gz JNALINQLGNTLBR-LBPRGKRZSA-N 0 1 304.398 1.715 10 0 DDAEMN CO[C@H]1CCCN(Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000170903047 697351475 /nfs/dbraw/zinc/35/14/75/697351475.db2.gz JNALINQLGNTLBR-LBPRGKRZSA-N 0 1 304.398 1.715 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Cn2cccn2)o1 ZINC000222533830 697757231 /nfs/dbraw/zinc/75/72/31/697757231.db2.gz OFIVSRJHCJSNLX-CQSZACIVSA-N 0 1 300.362 1.348 10 0 DDAEMN O=S1(=O)CC[C@H](N[C@@H]2CCC[C@@H](O)C2)c2cc(F)ccc21 ZINC000224134767 697764844 /nfs/dbraw/zinc/76/48/44/697764844.db2.gz PZFODQOGVDIKOG-BZPMIXESSA-N 0 1 313.394 1.937 10 0 DDAEMN COCCN1[C@H](C)CN(C(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H]1C ZINC000246577096 698352424 /nfs/dbraw/zinc/35/24/24/698352424.db2.gz NBIAQBKPTPZCQC-LXTVHRRPSA-N 0 1 313.442 1.305 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000262345647 698465515 /nfs/dbraw/zinc/46/55/15/698465515.db2.gz FXRPEUAMOZMBEX-HUUCEWRRSA-N 0 1 318.373 1.316 10 0 DDAEMN CN1CCO[C@H](C[N@H+](Cc2cccc(C(=O)[O-])c2)CC2CC2)C1 ZINC000263436552 698507216 /nfs/dbraw/zinc/50/72/16/698507216.db2.gz UTLBVCWFMNZPSJ-KRWDZBQOSA-N 0 1 318.417 1.927 10 0 DDAEMN Cc1cnccc1CN(C)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886079068 708693789 /nfs/dbraw/zinc/69/37/89/708693789.db2.gz DPFQFLKTGALMEH-JKSUJKDBSA-N 0 1 302.378 1.402 10 0 DDAEMN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900390285 709570062 /nfs/dbraw/zinc/57/00/62/709570062.db2.gz BIIWCPNMLHJWIK-GZMMTYOYSA-N 0 1 303.370 1.017 10 0 DDAEMN COc1ccc2cc(C(=O)N3CCC[C@H]3c3nn[nH]n3)[nH]c2c1 ZINC000900396852 709575807 /nfs/dbraw/zinc/57/58/07/709575807.db2.gz WBSRHWKORCEFCL-ZDUSSCGKSA-N 0 1 312.333 1.667 10 0 DDAEMN Cc1cnc(CNC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)s1 ZINC000248645490 282095620 /nfs/dbraw/zinc/09/56/20/282095620.db2.gz SIKODDZMLBKKJM-QWRGUYRKSA-N 0 1 312.439 1.048 10 0 DDAEMN C[C@H](c1ccc(F)cc1Cl)N(C)CC(=O)N1CCNCC1 ZINC000078903001 185126359 /nfs/dbraw/zinc/12/63/59/185126359.db2.gz XASCFNJUPYOIIP-LLVKDONJSA-N 0 1 313.804 1.904 10 0 DDAEMN CCCN[C@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCOC ZINC000081944534 192344956 /nfs/dbraw/zinc/34/49/56/192344956.db2.gz IBLVQJLDCPVUFI-CABCVRRESA-N 0 1 313.419 1.550 10 0 DDAEMN CCOc1ccc([C@H](CS(=O)(=O)CCOC)NC)cc1 ZINC000081944917 192345125 /nfs/dbraw/zinc/34/51/25/192345125.db2.gz ITOBHQFVLYVAGL-AWEZNQCLSA-N 0 1 301.408 1.407 10 0 DDAEMN CC(C)[C@H]1CCCN(S(=O)(=O)c2cnc(NN)nc2)CC1 ZINC000079357953 185166936 /nfs/dbraw/zinc/16/69/36/185166936.db2.gz CWRXACLXMQYWBM-NSHDSACASA-N 0 1 313.427 1.209 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000081977459 192347787 /nfs/dbraw/zinc/34/77/87/192347787.db2.gz ANJWSWQWFMLCRH-ZFWWWQNUSA-N 0 1 311.403 1.369 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000081974818 192347902 /nfs/dbraw/zinc/34/79/02/192347902.db2.gz FSTNLMCMLQMKFN-ZFWWWQNUSA-N 0 1 311.403 1.369 10 0 DDAEMN O=C(Nc1c(F)cc(Br)cc1F)[C@H]1CNCCO1 ZINC000088168528 185240892 /nfs/dbraw/zinc/24/08/92/185240892.db2.gz DJUXAUOYOMAHKY-SECBINFHSA-N 0 1 321.121 1.654 10 0 DDAEMN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C=O)o2)C1 ZINC000088541612 185255773 /nfs/dbraw/zinc/25/57/73/185255773.db2.gz ZOLULGJBOMAIJB-NSHDSACASA-N 0 1 300.380 1.197 10 0 DDAEMN Cc1nc(C)c([C@H](C)NC(=O)[C@H]2Cc3nc[nH]c3CN2)s1 ZINC000092781194 185340064 /nfs/dbraw/zinc/34/00/64/185340064.db2.gz HANARNZLMHCFKJ-GZMMTYOYSA-N 0 1 305.407 1.375 10 0 DDAEMN CCOCCNC(=O)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181742461 199346404 /nfs/dbraw/zinc/34/64/04/199346404.db2.gz MFBRKMYNTIFZPZ-LBPRGKRZSA-N 0 1 308.378 1.261 10 0 DDAEMN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@H]1NC(=O)CC1CC1 ZINC000725273013 539570748 /nfs/dbraw/zinc/57/07/48/539570748.db2.gz XDKRMRHNCLIZBR-ZWNOBZJWSA-N 0 1 308.451 1.852 10 0 DDAEMN C[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)C[C@H](C)O1 ZINC000080462015 192158628 /nfs/dbraw/zinc/15/86/28/192158628.db2.gz ULXUCQCFBRADLL-BQBZGAKWSA-N 0 1 305.450 1.555 10 0 DDAEMN C[C@@H]1Oc2ccc(S(=O)(=O)Nc3cccnc3)cc2NC1=O ZINC000071538941 190988823 /nfs/dbraw/zinc/98/88/23/190988823.db2.gz CEMGBSPMEBTRNL-VIFPVBQESA-N 0 1 319.342 1.602 10 0 DDAEMN C[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)[N@@H+](C)CCC(=O)[O-] ZINC000071665324 191001226 /nfs/dbraw/zinc/00/12/26/191001226.db2.gz XXLAEUWUHWETPE-VIFPVBQESA-N 0 1 305.334 1.802 10 0 DDAEMN COC(=O)[C@@H](CC(C)C)NC(=O)Cc1csc([C@H](C)N)n1 ZINC000071695933 191008044 /nfs/dbraw/zinc/00/80/44/191008044.db2.gz ROVSJAFYKWBJAD-GXSJLCMTSA-N 0 1 313.423 1.409 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2nc(C)cs2)CCN1C[C@@H](C)O ZINC000173269685 198204421 /nfs/dbraw/zinc/20/44/21/198204421.db2.gz WCBNDGLFKIPEPW-NEPJUHHUSA-N 0 1 312.439 1.760 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(F)cc(F)c3)CCO2)n[nH]1 ZINC000173559997 198226941 /nfs/dbraw/zinc/22/69/41/198226941.db2.gz WTAXXOYOASWMCN-LBPRGKRZSA-N 0 1 322.315 1.859 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000174322263 198319402 /nfs/dbraw/zinc/31/94/02/198319402.db2.gz LTXLTSWBXXIHTK-QWHCGFSZSA-N 0 1 310.825 1.796 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000174640842 198363279 /nfs/dbraw/zinc/36/32/79/198363279.db2.gz QETMUVZEFGRNEP-HIFRSBDPSA-N 0 1 324.396 1.508 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000174640830 198363346 /nfs/dbraw/zinc/36/33/46/198363346.db2.gz QETMUVZEFGRNEP-UKRRQHHQSA-N 0 1 324.396 1.508 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(Cl)nc2)CCN1C[C@@H](C)O ZINC000174639775 198363747 /nfs/dbraw/zinc/36/37/47/198363747.db2.gz LUKRGBSJDPIPFN-YPMHNXCESA-N 0 1 311.813 1.652 10 0 DDAEMN CCOC(=O)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000220575823 354314343 /nfs/dbraw/zinc/31/43/43/354314343.db2.gz JPGKXYQZVKXCLL-ZDUSSCGKSA-N 0 1 319.405 1.625 10 0 DDAEMN O=C([O-])CC1C[NH+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000081745143 192320108 /nfs/dbraw/zinc/32/01/08/192320108.db2.gz RRASIRRLFJSWKG-UHFFFAOYSA-N 0 1 306.347 1.036 10 0 DDAEMN CCN(C[C@H]1CCCO1)S(=O)(=O)c1cc(CN)oc1C ZINC000088993610 192686935 /nfs/dbraw/zinc/68/69/35/192686935.db2.gz FUAPBPQBXIJTGC-LLVKDONJSA-N 0 1 302.396 1.236 10 0 DDAEMN Cn1cc(CN2CCC[C@@H](n3cncn3)C2)c(-c2cccnc2)n1 ZINC000179466059 199039815 /nfs/dbraw/zinc/03/98/15/199039815.db2.gz CQBPFKNUOKMQMC-MRXNPFEDSA-N 0 1 323.404 1.911 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000189135287 200354186 /nfs/dbraw/zinc/35/41/86/200354186.db2.gz HJRDPAXXIKQCNU-CYBMUJFWSA-N 0 1 314.451 1.950 10 0 DDAEMN CCN(CC)C(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091488585 193063060 /nfs/dbraw/zinc/06/30/60/193063060.db2.gz NNMALZLUXLQLQF-UHFFFAOYSA-N 0 1 303.497 1.339 10 0 DDAEMN O=c1[n-]c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000091687442 193091326 /nfs/dbraw/zinc/09/13/26/193091326.db2.gz DBJHEUIVXDIFOH-APPZFPTMSA-N 0 1 300.156 1.480 10 0 DDAEMN CN[C@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)c1cnn(C)c1 ZINC000262307449 203256070 /nfs/dbraw/zinc/25/60/70/203256070.db2.gz BJWUSICABUUYLU-HNNXBMFYSA-N 0 1 318.377 1.053 10 0 DDAEMN Nc1cc(Br)ccc1C(=O)N[C@@H]1CN2CCC1CC2 ZINC000094026380 193339756 /nfs/dbraw/zinc/33/97/56/193339756.db2.gz CQUSZPNZLGUTSB-CYBMUJFWSA-N 0 1 324.222 1.855 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H](N2CCc3c(N)cccc3C2)C1 ZINC000094638624 193387694 /nfs/dbraw/zinc/38/76/94/193387694.db2.gz XFXKDHWVCOOGKR-ZIAGYGMSSA-N 0 1 308.447 1.983 10 0 DDAEMN CCOc1nc(Cl)nc(N2C[C@@H]3CCCCN3C[C@@H]2C)n1 ZINC000094442808 193370067 /nfs/dbraw/zinc/37/00/67/193370067.db2.gz KNHKNJRGIZOWPL-QWRGUYRKSA-N 0 1 311.817 1.987 10 0 DDAEMN CSCC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(=O)[O-] ZINC000094441890 193370085 /nfs/dbraw/zinc/37/00/85/193370085.db2.gz DVEWYGGZHZERRN-RYUDHWBXSA-N 0 1 315.439 1.072 10 0 DDAEMN N[C@H](c1ccccc1OC(F)(F)F)[C@H]1CN2CCN1CC2 ZINC000094508415 193375619 /nfs/dbraw/zinc/37/56/19/193375619.db2.gz CIWGMFVTVYUSHZ-DGCLKSJQSA-N 0 1 301.312 1.585 10 0 DDAEMN C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000094549399 193379033 /nfs/dbraw/zinc/37/90/33/193379033.db2.gz ZDTONOPAKJJTRC-WPRPVWTQSA-N 0 1 313.195 1.964 10 0 DDAEMN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1N)c1nn[nH]n1 ZINC000094598801 193383018 /nfs/dbraw/zinc/38/30/18/193383018.db2.gz XHDMAPNOGQMHBR-YFKPBYRVSA-N 0 1 300.244 1.292 10 0 DDAEMN Nc1ccc2[nH]c(N3CCN(c4nccs4)CC3)nc2c1 ZINC000094770121 193396254 /nfs/dbraw/zinc/39/62/54/193396254.db2.gz RGXQSHDTFTWKPF-UHFFFAOYSA-N 0 1 300.391 1.928 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000094789357 193398471 /nfs/dbraw/zinc/39/84/71/193398471.db2.gz RSROSRPKXHUTGW-SWLSCSKDSA-N 0 1 313.467 1.155 10 0 DDAEMN CN(C)CCN(C)S(=O)(=O)c1cccc2cc(N)ccc21 ZINC000094787577 193398473 /nfs/dbraw/zinc/39/84/73/193398473.db2.gz HBQKPUJVZFOPFD-UHFFFAOYSA-N 0 1 307.419 1.604 10 0 DDAEMN CCCc1[nH]nc2c1CN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)CC2 ZINC000020206968 182197579 /nfs/dbraw/zinc/19/75/79/182197579.db2.gz FNFSBLOUUQWJML-NSHDSACASA-N 0 1 323.418 1.195 10 0 DDAEMN CO[C@@H]1COC[C@@H]1N1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000333509480 249005714 /nfs/dbraw/zinc/00/57/14/249005714.db2.gz DWJGQVIUTYEALZ-LSDHHAIUSA-N 0 1 306.410 1.099 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000041682061 183216701 /nfs/dbraw/zinc/21/67/01/183216701.db2.gz HMRPORVCDOBPIU-UHFFFAOYSA-N 0 1 311.451 1.617 10 0 DDAEMN Cc1cncc(CN2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 ZINC000284521705 218063010 /nfs/dbraw/zinc/06/30/10/218063010.db2.gz CSQWOOUCJMYHAE-INIZCTEOSA-N 0 1 301.394 1.656 10 0 DDAEMN CNC(=O)c1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000104984967 194062273 /nfs/dbraw/zinc/06/22/73/194062273.db2.gz QZBXNPKHJXHGQT-OAHLLOKOSA-N 0 1 316.405 1.748 10 0 DDAEMN COCCn1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)n1 ZINC000105031139 194065292 /nfs/dbraw/zinc/06/52/92/194065292.db2.gz HTXNFFWJOQDJLN-ZDUSSCGKSA-N 0 1 307.398 1.232 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccccc2F)CCN1C[C@@H](C)O ZINC000105825645 194137234 /nfs/dbraw/zinc/13/72/34/194137234.db2.gz BIQSTQXHRMDAHU-ZIAGYGMSSA-N 0 1 323.412 1.541 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(CC(F)(F)F)CC2)C1 ZINC000105845922 194145325 /nfs/dbraw/zinc/14/53/25/194145325.db2.gz OTHXHEZCZAJNAB-CYBMUJFWSA-N 0 1 309.376 1.276 10 0 DDAEMN Cc1cccc2nc(CN3CCC[C@H](n4cncn4)C3)cc(=O)n12 ZINC000105898253 194164152 /nfs/dbraw/zinc/16/41/52/194164152.db2.gz SJUKHDIMOFYKPQ-HNNXBMFYSA-N 0 1 324.388 1.432 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CC(N)=O)CC1 ZINC000106432663 194212838 /nfs/dbraw/zinc/21/28/38/194212838.db2.gz IOGCSUNXVCWPGD-INIZCTEOSA-N 0 1 317.433 1.273 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2cscn2)CC1 ZINC000109465006 194265513 /nfs/dbraw/zinc/26/55/13/194265513.db2.gz TXTJRCRDHMZVCA-NSHDSACASA-N 0 1 312.464 1.356 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000109461270 194266249 /nfs/dbraw/zinc/26/62/49/194266249.db2.gz BSPNOVNSXPIQRF-CQSZACIVSA-N 0 1 305.447 1.438 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000109466527 194267395 /nfs/dbraw/zinc/26/73/95/194267395.db2.gz PIGGIERTMZWVLH-JTQLQIEISA-N 0 1 310.398 1.650 10 0 DDAEMN CCOC(=O)[C@H](N)CCn1nc(C)c(Br)c1C ZINC000062538507 184241835 /nfs/dbraw/zinc/24/18/35/184241835.db2.gz MMIFYEJOSBTOSU-SECBINFHSA-N 0 1 304.188 1.543 10 0 DDAEMN CNS(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000062370555 184233325 /nfs/dbraw/zinc/23/33/25/184233325.db2.gz CQOBGQMWHACSLD-ZDUSSCGKSA-N 0 1 301.387 1.016 10 0 DDAEMN CSCC[C@@H](NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C(=O)[O-] ZINC000062943245 184261992 /nfs/dbraw/zinc/26/19/92/184261992.db2.gz APSLAAJBUYSKBE-VXGBXAGGSA-N 0 1 315.439 1.072 10 0 DDAEMN Nc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)ccc1F ZINC000062975714 184263418 /nfs/dbraw/zinc/26/34/18/184263418.db2.gz DHGLTCUIUCMYJL-LLVKDONJSA-N 0 1 313.398 1.267 10 0 DDAEMN CC(C)(C)OC[C@H](O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000120763438 195232626 /nfs/dbraw/zinc/23/26/26/195232626.db2.gz UUAGOFJSYFBJHD-OAHLLOKOSA-N 0 1 308.422 1.540 10 0 DDAEMN CN(C)C(=O)CN1CC[C@@H](OCC2CC2)[C@H]1Cc1ccncc1 ZINC000248009070 257112264 /nfs/dbraw/zinc/11/22/64/257112264.db2.gz OXRAWRXBBFHOED-IAGOWNOFSA-N 0 1 317.433 1.582 10 0 DDAEMN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3cccs3)C[C@@H]2O1 ZINC000247878792 257115691 /nfs/dbraw/zinc/11/56/91/257115691.db2.gz PKFOCBBMSJACRV-SNPRPXQTSA-N 0 1 324.446 1.490 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(N)=O)cs2)CCN1CCOC ZINC000120969203 195273441 /nfs/dbraw/zinc/27/34/41/195273441.db2.gz CGCNPNKJPGQQTG-CYBMUJFWSA-N 0 1 311.451 1.390 10 0 DDAEMN Cc1nc([C@H]2CN(CCC(=O)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000122107075 195403718 /nfs/dbraw/zinc/40/37/18/195403718.db2.gz LRUYNTHECLNQIF-OAHLLOKOSA-N 0 1 318.352 1.899 10 0 DDAEMN CC(C)C(=O)N1CCCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000069609066 406743218 /nfs/dbraw/zinc/74/32/18/406743218.db2.gz SSUKWGCGVVTNIW-CQSZACIVSA-N 0 1 300.443 1.353 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1sccc1OC ZINC000122917492 407314153 /nfs/dbraw/zinc/31/41/53/407314153.db2.gz HPWXNQQWPNOVRX-LLVKDONJSA-N 0 1 318.464 1.862 10 0 DDAEMN CCCCCCNC(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105883418 407356123 /nfs/dbraw/zinc/35/61/23/407356123.db2.gz FGSBNTUQZCXHMC-HNNXBMFYSA-N 0 1 307.442 1.687 10 0 DDAEMN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(C)[nH]1 ZINC000103253455 407334846 /nfs/dbraw/zinc/33/48/46/407334846.db2.gz AZBLYGHVSLMENL-GWCFXTLKSA-N 0 1 315.377 1.896 10 0 DDAEMN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C)n[nH]1 ZINC000103253455 407334847 /nfs/dbraw/zinc/33/48/47/407334847.db2.gz AZBLYGHVSLMENL-GWCFXTLKSA-N 0 1 315.377 1.896 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCc1cnn(C)c1 ZINC000106915659 407366678 /nfs/dbraw/zinc/36/66/78/407366678.db2.gz UQPBIBZCUFMMJS-QGZVFWFLSA-N 0 1 314.433 1.642 10 0 DDAEMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(Cn2cccn2)CC1 ZINC000105920164 407357161 /nfs/dbraw/zinc/35/71/61/407357161.db2.gz XHSLYCPMECVZGJ-ZBFHGGJFSA-N 0 1 320.437 1.279 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)cc2)CCN1C[C@@H](C)O ZINC000125805409 407398614 /nfs/dbraw/zinc/39/86/14/407398614.db2.gz JTONIWHASQURCM-FPTQRPOBSA-N 0 1 318.417 1.709 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000127116223 407428511 /nfs/dbraw/zinc/42/85/11/407428511.db2.gz SYZKZBXFMCMLQZ-OAHLLOKOSA-N 0 1 317.389 1.256 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000152033340 407548998 /nfs/dbraw/zinc/54/89/98/407548998.db2.gz DZVPIVPSUHZFSG-QGZVFWFLSA-N 0 1 321.465 1.350 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000261766768 407607278 /nfs/dbraw/zinc/60/72/78/407607278.db2.gz QHRUUORIFJKNOX-ZDUSSCGKSA-N 0 1 317.345 1.122 10 0 DDAEMN CCN(CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1)C1CC1 ZINC000152721136 407675059 /nfs/dbraw/zinc/67/50/59/407675059.db2.gz PJFLYYDJODNMKQ-HNNXBMFYSA-N 0 1 319.453 1.618 10 0 DDAEMN Cc1nc(CN2CCCN(Cc3c(C)nn(C)c3C)CC2)no1 ZINC000171593658 407714865 /nfs/dbraw/zinc/71/48/65/407714865.db2.gz MHSDNFULSOUZTM-UHFFFAOYSA-N 0 1 318.425 1.436 10 0 DDAEMN O=S(=O)(Cc1ccc(Cl)nc1)N1CCN2CCC[C@@H]2C1 ZINC000171770863 407763905 /nfs/dbraw/zinc/76/39/05/407763905.db2.gz UPTFXWRIJMUNHB-GFCCVEGCSA-N 0 1 315.826 1.345 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000262190379 407764357 /nfs/dbraw/zinc/76/43/57/407764357.db2.gz YJVOPOCNFDAEHO-AWEZNQCLSA-N 0 1 315.373 1.456 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2cccc(OC)c2)CCCC1 ZINC000262226599 407769432 /nfs/dbraw/zinc/76/94/32/407769432.db2.gz GGSSJDPCDIYLJY-HNNXBMFYSA-N 0 1 306.406 1.597 10 0 DDAEMN C[C@H](NC(=O)C[C@H]1COCCN1)c1cccc(-n2ccnc2)c1 ZINC000262304648 407789873 /nfs/dbraw/zinc/78/98/73/407789873.db2.gz CCLRFGTWPCGKBJ-ZFWWWQNUSA-N 0 1 314.389 1.428 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccccc1OC ZINC000262303703 407790139 /nfs/dbraw/zinc/79/01/39/407790139.db2.gz OEUVICXTWOSCFY-NVXWUHKLSA-N 0 1 314.385 1.875 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000262304388 407791254 /nfs/dbraw/zinc/79/12/54/407791254.db2.gz OHDPVAKQIXQMLB-HIFRSBDPSA-N 0 1 322.405 1.000 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1CCOC ZINC000117299901 407827894 /nfs/dbraw/zinc/82/78/94/407827894.db2.gz XADAXIDUGGPRCE-INIZCTEOSA-N 0 1 308.397 1.937 10 0 DDAEMN CCc1ccnc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000180274077 407872707 /nfs/dbraw/zinc/87/27/07/407872707.db2.gz VZWWLYPOLOMJJV-CYBMUJFWSA-N 0 1 301.350 1.284 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000262599246 407877767 /nfs/dbraw/zinc/87/77/67/407877767.db2.gz XMBXWZUPSLARGM-GFCCVEGCSA-N 0 1 302.334 1.490 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccc(F)c2)C1 ZINC000262904333 407967087 /nfs/dbraw/zinc/96/70/87/407967087.db2.gz DCXGFTPBZUAIMS-UHFFFAOYSA-N 0 1 323.368 1.562 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCc2ccccn2)C[C@H]1C ZINC000174295042 407928807 /nfs/dbraw/zinc/92/88/07/407928807.db2.gz SPNOVNQZTANCRQ-HUUCEWRRSA-N 0 1 305.422 1.318 10 0 DDAEMN Cc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000174319734 407930310 /nfs/dbraw/zinc/93/03/10/407930310.db2.gz CTRYWVZKZRYWSG-JKSUJKDBSA-N 0 1 304.434 1.841 10 0 DDAEMN CC[C@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCN1CCOC ZINC000181688889 408027735 /nfs/dbraw/zinc/02/77/35/408027735.db2.gz JJGVGDVQEKVMPH-JKSUJKDBSA-N 0 1 300.443 1.572 10 0 DDAEMN CC(C)Cn1cnc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000175011442 408030447 /nfs/dbraw/zinc/03/04/47/408030447.db2.gz NXZRMLQVURPJFD-CYBMUJFWSA-N 0 1 312.439 1.008 10 0 DDAEMN O=C(NCCN1CCCOCC1)N[C@H]1CCOc2ccccc21 ZINC000189588525 408060066 /nfs/dbraw/zinc/06/00/66/408060066.db2.gz JAWLJEIWTXOADW-HNNXBMFYSA-N 0 1 319.405 1.532 10 0 DDAEMN Cn1c(CN[C@@H](CC(N)=O)C2CCCCC2)nnc1C1CC1 ZINC000181987455 408063118 /nfs/dbraw/zinc/06/31/18/408063118.db2.gz SIQSNNRSPUZBLI-ZDUSSCGKSA-N 0 1 305.426 1.606 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCc3ccccc3C)CCO2)n[nH]1 ZINC000175314075 408104682 /nfs/dbraw/zinc/10/46/82/408104682.db2.gz VLIJEYICTYDCRM-AWEZNQCLSA-N 0 1 315.377 1.705 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCCC(C)(F)F)C1 ZINC000263330802 408110317 /nfs/dbraw/zinc/11/03/17/408110317.db2.gz CGXCGNHEHWWLIP-UHFFFAOYSA-N 0 1 321.368 1.659 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCC3(CC)CC3)CCO2)n[nH]1 ZINC000120378945 408128594 /nfs/dbraw/zinc/12/85/94/408128594.db2.gz UHQMIKFCZCKJIM-LLVKDONJSA-N 0 1 307.398 1.640 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](COC)C2CC2)CCN1CCOC ZINC000246273297 408199883 /nfs/dbraw/zinc/19/98/83/408199883.db2.gz MRCVNVDFEUMGMP-HUUCEWRRSA-N 0 1 313.442 1.164 10 0 DDAEMN CCOCCCNC(=O)[C@H](C)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000246307400 408216035 /nfs/dbraw/zinc/21/60/35/408216035.db2.gz ADTHVBYPHNCHPN-JKSUJKDBSA-N 0 1 322.453 1.760 10 0 DDAEMN CC(C)CN(C(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000246484376 408268960 /nfs/dbraw/zinc/26/89/60/408268960.db2.gz OXYKZDHPUZFNIG-NVXWUHKLSA-N 0 1 323.481 1.286 10 0 DDAEMN C[C@H](C(=O)Nc1ccccc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246480037 408269771 /nfs/dbraw/zinc/26/97/71/408269771.db2.gz OPPPZPYXPXJEGH-INMHGKMJSA-N 0 1 317.433 1.666 10 0 DDAEMN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@H](CO)c1ccccc1 ZINC000182916891 408284737 /nfs/dbraw/zinc/28/47/37/408284737.db2.gz BQFIDILNBAGNEZ-TZMCWYRMSA-N 0 1 307.394 1.180 10 0 DDAEMN CC(C)(C)C(=O)NCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000171674309 162234631 /nfs/dbraw/zinc/23/46/31/162234631.db2.gz USHBKYQOBYNAAI-ZDUSSCGKSA-N 0 1 310.442 1.028 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccccc2)CCN1C[C@H](C)O ZINC000246880117 408359063 /nfs/dbraw/zinc/35/90/63/408359063.db2.gz OLNABMFJJDCDTP-GJZGRUSLSA-N 0 1 306.406 1.369 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000173548030 162347142 /nfs/dbraw/zinc/34/71/42/162347142.db2.gz ZCIUYNBKKUAYHZ-ZDUSSCGKSA-N 0 1 304.325 1.395 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccnc3Cl)CCO2)n[nH]1 ZINC000173603776 162351532 /nfs/dbraw/zinc/35/15/32/162351532.db2.gz ZFBYGUUYNWRMNP-JTQLQIEISA-N 0 1 307.741 1.375 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)Nc3cccc(F)c3)CCO2)n[nH]1 ZINC000173657581 162353718 /nfs/dbraw/zinc/35/37/18/162353718.db2.gz MUPDIYGORNCHCB-CYBMUJFWSA-N 0 1 319.340 1.264 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)NCCC(C)(C)C)CCO2)n[nH]1 ZINC000173682412 162358486 /nfs/dbraw/zinc/35/84/86/162358486.db2.gz JHANBGKECXPEOY-LBPRGKRZSA-N 0 1 309.414 1.039 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@@H](O)c3c(F)cccc3F)CCO2)n[nH]1 ZINC000246995126 408381443 /nfs/dbraw/zinc/38/14/43/408381443.db2.gz NOQNHGFQBBABSP-CHWSQXEVSA-N 0 1 324.331 1.498 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000247086741 408405744 /nfs/dbraw/zinc/40/57/44/408405744.db2.gz HGSBNCWJBUIAAY-CABCVRRESA-N 0 1 305.422 1.036 10 0 DDAEMN CC[C@H]1CN(Cc2cc(C(=O)OC)co2)CCN1C[C@H](C)O ZINC000247097488 408406428 /nfs/dbraw/zinc/40/64/28/408406428.db2.gz HYPAXRAMFJAQGT-JSGCOSHPSA-N 0 1 310.394 1.343 10 0 DDAEMN CC[C@H]1CN(C(=O)N[C@H](C)CCOC)CCN1CCOC ZINC000247128952 408412278 /nfs/dbraw/zinc/41/22/78/408412278.db2.gz OLEXNFBUYNRMQM-KGLIPLIRSA-N 0 1 301.431 1.164 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2ccccc2)C[C@H]1C ZINC000247169651 408419462 /nfs/dbraw/zinc/41/94/62/408419462.db2.gz MWIDTHYIFGSDAV-HZPDHXFCSA-N 0 1 308.422 1.079 10 0 DDAEMN C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176735591 408427177 /nfs/dbraw/zinc/42/71/77/408427177.db2.gz SNHPEPHUNZJLQS-QWRGUYRKSA-N 0 1 323.397 1.629 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCN1C[C@H](C)O ZINC000248494541 408579077 /nfs/dbraw/zinc/57/90/77/408579077.db2.gz PUQGYIBGUUHEPA-GXTWGEPZSA-N 0 1 316.405 1.480 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177755492 408703925 /nfs/dbraw/zinc/70/39/25/408703925.db2.gz KFPXDWBGHXQYKB-CQSZACIVSA-N 0 1 303.406 1.804 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2nccs2)CCN1C[C@@H](C)O ZINC000184885720 408710560 /nfs/dbraw/zinc/71/05/60/408710560.db2.gz PCIHHXACZZATPF-NEPJUHHUSA-N 0 1 312.439 1.130 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)NC2CCN(Cc3cccnc3)CC2)O1 ZINC000177815690 408722286 /nfs/dbraw/zinc/72/22/86/408722286.db2.gz OTHNRYQBJCEZRW-BBRMVZONSA-N 0 1 303.406 1.730 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CN3CCCC3=O)C[C@@H]21 ZINC000184810081 408692935 /nfs/dbraw/zinc/69/29/35/408692935.db2.gz FCVIFJKFJTUECQ-MELADBBJSA-N 0 1 323.437 1.801 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)N2CCc3cccc(C)c32)C1 ZINC000194156558 408767486 /nfs/dbraw/zinc/76/74/86/408767486.db2.gz YYOCJYPTHHBHJJ-HNNXBMFYSA-N 0 1 315.417 1.485 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000187875973 163031002 /nfs/dbraw/zinc/03/10/02/163031002.db2.gz VROZIYDQSBEPFW-AWEZNQCLSA-N 0 1 316.361 1.595 10 0 DDAEMN CC(C)(C)C(=O)NCCCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195072262 163305964 /nfs/dbraw/zinc/30/59/64/163305964.db2.gz ZWXKZADYHACRPX-AWEZNQCLSA-N 0 1 309.454 1.626 10 0 DDAEMN c1nc2c(ncnc2NCc2ccnc(O[C@@H]3CCOC3)c2)[nH]1 ZINC000301864658 410815471 /nfs/dbraw/zinc/81/54/71/410815471.db2.gz FPQJTRPXTWXAOE-LLVKDONJSA-N 0 1 312.333 1.528 10 0 DDAEMN C[C@@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccccc1Cl ZINC000380767204 418727812 /nfs/dbraw/zinc/72/78/12/418727812.db2.gz PNCXTJSFOJJATF-MNOVXSKESA-N 0 1 318.826 1.309 10 0 DDAEMN C/C=C/CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630649618 422240563 /nfs/dbraw/zinc/24/05/63/422240563.db2.gz KKRZKINWTDTVPD-MQQKUOPWSA-N 0 1 302.374 1.797 10 0 DDAEMN C/C=C/CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630649618 422240568 /nfs/dbraw/zinc/24/05/68/422240568.db2.gz KKRZKINWTDTVPD-MQQKUOPWSA-N 0 1 302.374 1.797 10 0 DDAEMN CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)C1CC1 ZINC000630657493 422245096 /nfs/dbraw/zinc/24/50/96/422245096.db2.gz MQAQFFAARQSDEN-HUUCEWRRSA-N 0 1 302.374 1.725 10 0 DDAEMN CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)C1CC1 ZINC000630657493 422245102 /nfs/dbraw/zinc/24/51/02/422245102.db2.gz MQAQFFAARQSDEN-HUUCEWRRSA-N 0 1 302.374 1.725 10 0 DDAEMN CCc1cccc(OCCN2C[C@@H](O)[C@H](n3ccnn3)C2)c1 ZINC000639742551 423701363 /nfs/dbraw/zinc/70/13/63/423701363.db2.gz OVTNFRRCDUEZLY-HZPDHXFCSA-N 0 1 302.378 1.137 10 0 DDAEMN CCOCCNC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247023247 276324938 /nfs/dbraw/zinc/32/49/38/276324938.db2.gz SPMVHOUNTZFJSA-IAGOWNOFSA-N 0 1 320.433 1.727 10 0 DDAEMN CCN1CCC[C@H]1CN(C)CCS(=O)(=O)c1ccccc1 ZINC000106379256 276377186 /nfs/dbraw/zinc/37/71/86/276377186.db2.gz GYLLBXJALSHCSA-HNNXBMFYSA-N 0 1 310.463 1.876 10 0 DDAEMN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000246813699 277295669 /nfs/dbraw/zinc/29/56/69/277295669.db2.gz PXHGSMBDBUSTBW-TUVASFSCSA-N 0 1 301.427 1.431 10 0 DDAEMN CCN(C(=O)[C@@H](C)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000105933664 281051744 /nfs/dbraw/zinc/05/17/44/281051744.db2.gz LMPPIQPVHPNYAZ-ZBFHGGJFSA-N 0 1 305.422 1.348 10 0 DDAEMN Cc1cncc(/C=C/C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246709255 282008139 /nfs/dbraw/zinc/00/81/39/282008139.db2.gz UHGZWQXOJFFWJC-WFVIONGDSA-N 0 1 303.406 1.317 10 0 DDAEMN CCNS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000172451332 298249610 /nfs/dbraw/zinc/24/96/10/298249610.db2.gz MUFYDEMOTKTFLS-HNNXBMFYSA-N 0 1 311.451 1.485 10 0 DDAEMN Cc1nn[nH]c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000189902510 697582007 /nfs/dbraw/zinc/58/20/07/697582007.db2.gz LZWCWMBTKFMRQT-JTQLQIEISA-N 0 1 309.370 1.242 10 0 DDAEMN CCOCCN1CCN(C(=O)C[C@H]2CCCOC2)C[C@@H]1CC ZINC000249096703 698386918 /nfs/dbraw/zinc/38/69/18/698386918.db2.gz MFFPCLJLMVCNBH-CVEARBPZSA-N 0 1 312.454 1.762 10 0 DDAEMN C[C@@H]1CN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000261943840 698446581 /nfs/dbraw/zinc/44/65/81/698446581.db2.gz LXFFYZZUJMKDBB-JMSVASOKSA-N 0 1 301.390 1.674 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)cc2O)C1 ZINC000263098314 698491595 /nfs/dbraw/zinc/49/15/95/698491595.db2.gz IMSHWQZVXIQUDP-UHFFFAOYSA-N 0 1 306.362 1.368 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc(C(F)(F)F)nn2)C1 ZINC000263553142 698513626 /nfs/dbraw/zinc/51/36/26/698513626.db2.gz MJWYAOHLVZRHST-UHFFFAOYSA-N 0 1 318.299 1.845 10 0 DDAEMN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000701024790 699225771 /nfs/dbraw/zinc/22/57/71/699225771.db2.gz WAWBORGOWKELIR-KOLCDFICSA-N 0 1 318.204 1.535 10 0 DDAEMN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000701024786 699225791 /nfs/dbraw/zinc/22/57/91/699225791.db2.gz WAWBORGOWKELIR-GXSJLCMTSA-N 0 1 318.204 1.535 10 0 DDAEMN O=C(c1ncccc1Br)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720643666 699307160 /nfs/dbraw/zinc/30/71/60/699307160.db2.gz WPFQUVOTJOZOSG-MRVPVSSYSA-N 0 1 323.154 1.335 10 0 DDAEMN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720655366 699307224 /nfs/dbraw/zinc/30/72/24/699307224.db2.gz PVPGRLTWZWOHCT-ZETCQYMHSA-N 0 1 301.137 1.812 10 0 DDAEMN CCc1ccc(CN2CCC[C@@](O)(Cc3nncn3C)C2)o1 ZINC000886088900 708695965 /nfs/dbraw/zinc/69/59/65/708695965.db2.gz OORWIEDTMDYRLV-MRXNPFEDSA-N 0 1 304.394 1.540 10 0 DDAEMN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900902469 709819875 /nfs/dbraw/zinc/81/98/75/709819875.db2.gz XLDHPNZERVHWKB-CHWSQXEVSA-N 0 1 316.405 1.758 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900902469 709819878 /nfs/dbraw/zinc/81/98/78/709819878.db2.gz XLDHPNZERVHWKB-CHWSQXEVSA-N 0 1 316.405 1.758 10 0 DDAEMN O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2ccc(O)c(F)c2)C1 ZINC000894367777 711090171 /nfs/dbraw/zinc/09/01/71/711090171.db2.gz VNXXKWYXTUAJME-QGZVFWFLSA-N 0 1 322.380 1.481 10 0 DDAEMN CCc1nc[nH]c1C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1 ZINC000908092564 712684633 /nfs/dbraw/zinc/68/46/33/712684633.db2.gz MEJPIHVXUAWGON-KOLCDFICSA-N 0 1 304.354 1.001 10 0 DDAEMN CC[C@@H]1CN([C@H]2CCCN(C(C)C)C2=O)CCN1C[C@H](C)O ZINC000248370816 282079978 /nfs/dbraw/zinc/07/99/78/282079978.db2.gz XZJBLUSGQWLAPB-XHSDSOJGSA-N 0 1 311.470 1.163 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)cc2)C[C@H]1C ZINC000248399509 282081105 /nfs/dbraw/zinc/08/11/05/282081105.db2.gz JYUCBDBPVJSAQJ-AMVTZNPPSA-N 0 1 304.390 1.319 10 0 DDAEMN Cc1cc(C)c(C(N)=S)c(N[C@@H](C)CS(C)(=O)=O)n1 ZINC000081904343 192336874 /nfs/dbraw/zinc/33/68/74/192336874.db2.gz SSAOTPMOCIMPQM-VIFPVBQESA-N 0 1 301.437 1.178 10 0 DDAEMN CCCN[C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCOC ZINC000081944530 192345330 /nfs/dbraw/zinc/34/53/30/192345330.db2.gz IBLVQJLDCPVUFI-GJZGRUSLSA-N 0 1 313.419 1.550 10 0 DDAEMN CN[C@H](CS(=O)(=O)CCC(=O)OC)c1cc(C)ccc1C ZINC000081975261 192347409 /nfs/dbraw/zinc/34/74/09/192347409.db2.gz CMSKGTIJVNTHPK-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN N[C@@H](Cc1c[nH]cn1)c1nnc2ccc(Br)cn21 ZINC000087847040 185233368 /nfs/dbraw/zinc/23/33/68/185233368.db2.gz SGXCZTDEXSBNHI-VIFPVBQESA-N 0 1 307.155 1.457 10 0 DDAEMN CCCCc1nnc(NC(=O)CN[C@H](C)[C@@H]2CCCO2)s1 ZINC000183145994 539241266 /nfs/dbraw/zinc/24/12/66/539241266.db2.gz XEXXKFWJUWYITH-MNOVXSKESA-N 0 1 312.439 1.976 10 0 DDAEMN C[C@H](C(N)=S)S(=O)(=O)Nc1ccccc1OC(F)F ZINC000088487622 185253334 /nfs/dbraw/zinc/25/33/34/185253334.db2.gz CABQNGNDJCRHAZ-ZCFIWIBFSA-N 0 1 310.347 1.704 10 0 DDAEMN CN1CCCC[C@H]1CNC(=O)c1sc2nccnc2c1N ZINC000088642405 185261395 /nfs/dbraw/zinc/26/13/95/185261395.db2.gz VAAMWGOYHGIBLE-VIFPVBQESA-N 0 1 305.407 1.488 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccn(C)c2C)C[C@@H]1CC ZINC000195266970 539263601 /nfs/dbraw/zinc/26/36/01/539263601.db2.gz ZPFJCDZQCVPNHJ-HNNXBMFYSA-N 0 1 307.438 1.906 10 0 DDAEMN CCOc1ccc([C@H](N)CS(=O)(=O)CCCOC)cc1 ZINC000081986229 192349343 /nfs/dbraw/zinc/34/93/43/192349343.db2.gz BLNCOKCGJJFPET-CQSZACIVSA-N 0 1 301.408 1.536 10 0 DDAEMN C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388928 185293924 /nfs/dbraw/zinc/29/39/24/185293924.db2.gz MBZDZOLJYCTULR-RYUDHWBXSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388928 185293925 /nfs/dbraw/zinc/29/39/25/185293925.db2.gz MBZDZOLJYCTULR-RYUDHWBXSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@H+]1CCC[C@H](n2c3ccncc3nc2SCC(=O)[O-])C1 ZINC000092514871 185323556 /nfs/dbraw/zinc/32/35/56/185323556.db2.gz UKBYEMPOOBGTHL-JTQLQIEISA-N 0 1 306.391 1.875 10 0 DDAEMN CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092662204 185332631 /nfs/dbraw/zinc/33/26/31/185332631.db2.gz HGIHNJOZZLBHNS-SRVKXCTJSA-N 0 1 315.439 1.371 10 0 DDAEMN Cc1ccc(N)c(S(=O)(=O)N(C)C[C@H]2CCCN2C)c1C ZINC000092622370 185329801 /nfs/dbraw/zinc/32/98/01/185329801.db2.gz QEVFMWRWUGVOSQ-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1ccc(C[C@H](C)NC(=O)[C@@H]2Cc3nc[nH]c3CN2)s1 ZINC000092783257 185340856 /nfs/dbraw/zinc/34/08/56/185340856.db2.gz NIVYZHUBBDKDOY-ZANVPECISA-N 0 1 304.419 1.541 10 0 DDAEMN CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)NCc1nnc[nH]1 ZINC000181842248 199360690 /nfs/dbraw/zinc/36/06/90/199360690.db2.gz RKTDPIMHAXEUCK-HNNXBMFYSA-N 0 1 323.397 1.601 10 0 DDAEMN CN[C@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035721 192396666 /nfs/dbraw/zinc/39/66/66/192396666.db2.gz FFKAWGBIYDKVNF-ZUOKHONESA-N 0 1 301.408 1.359 10 0 DDAEMN CN(Cc1ccccc1F)C(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000172803779 198151924 /nfs/dbraw/zinc/15/19/24/198151924.db2.gz XPQLJUDOFKNFGN-MRXNPFEDSA-N 0 1 319.424 1.954 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CCN1C[C@@H](C)O ZINC000174634851 198362496 /nfs/dbraw/zinc/36/24/96/198362496.db2.gz WWDVJQPIUQTDPP-YPMHNXCESA-N 0 1 311.813 1.652 10 0 DDAEMN CCNC(=O)c1ccc(N2CCN(CCOC)[C@@H](CC)C2)nc1 ZINC000174736591 198378125 /nfs/dbraw/zinc/37/81/25/198378125.db2.gz BDLLKPKIGGEQIO-HNNXBMFYSA-N 0 1 320.437 1.378 10 0 DDAEMN C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000126203096 354051899 /nfs/dbraw/zinc/05/18/99/354051899.db2.gz RDBIAAPVJNSXRR-LBPRGKRZSA-N 0 1 323.824 1.729 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCCSC)C[C@@H]1CC ZINC000153506007 354199590 /nfs/dbraw/zinc/19/95/90/354199590.db2.gz XMDYFOCJTFQBDH-AWEZNQCLSA-N 0 1 317.499 1.882 10 0 DDAEMN O=c1[nH]cnc(N2CCCCCC2)c1I ZINC000162142356 354245588 /nfs/dbraw/zinc/24/55/88/354245588.db2.gz FPPRYEZJLOUAOE-UHFFFAOYSA-N 0 1 319.146 1.755 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000403979126 354671499 /nfs/dbraw/zinc/67/14/99/354671499.db2.gz DMALRBKUUSNYJN-SJORKVTESA-N 0 1 317.433 1.098 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@@H](c2ccccc2OC(F)(F)F)NC1 ZINC000080106165 192002221 /nfs/dbraw/zinc/00/22/21/192002221.db2.gz BROZAFODWDYUAU-SCZZXKLOSA-N 0 1 324.324 1.667 10 0 DDAEMN CCN(c1cccc(C)c1)S(=O)(=O)c1n[nH]cc1CNC ZINC000088974010 192675812 /nfs/dbraw/zinc/67/58/12/192675812.db2.gz BIHOKLKPZFCSIM-UHFFFAOYSA-N 0 1 308.407 1.653 10 0 DDAEMN Cc1ncc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)s1 ZINC000275536092 212399850 /nfs/dbraw/zinc/39/98/50/212399850.db2.gz MGWUXTCLWFLSLP-LBPRGKRZSA-N 0 1 319.434 1.304 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000093648106 193283630 /nfs/dbraw/zinc/28/36/30/193283630.db2.gz YISSZOUCVRMNGF-UHFFFAOYSA-N 0 1 311.451 1.600 10 0 DDAEMN CC(C)N1CCO[C@@H](c2ncc(Br)c(=O)[nH]2)C1 ZINC000093923538 193328624 /nfs/dbraw/zinc/32/86/24/193328624.db2.gz WSVPMLMYVRGRME-SECBINFHSA-N 0 1 302.172 1.314 10 0 DDAEMN CCN1CCC[C@@H](NS(=O)(=O)c2cc(C)cc(N)c2C)C1 ZINC000094358478 193364634 /nfs/dbraw/zinc/36/46/34/193364634.db2.gz NPLQHHVHZCCUGV-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000094549400 193378832 /nfs/dbraw/zinc/37/88/32/193378832.db2.gz ZDTONOPAKJJTRC-PSASIEDQSA-N 0 1 313.195 1.964 10 0 DDAEMN N[C@]1(C(=O)Nc2cc(Br)ccc2O)CCOC1 ZINC000094573530 193381721 /nfs/dbraw/zinc/38/17/21/193381721.db2.gz UDARUEOFQALJDU-LLVKDONJSA-N 0 1 301.140 1.211 10 0 DDAEMN C[NH+]1CCN(C(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000040524847 183091623 /nfs/dbraw/zinc/09/16/23/183091623.db2.gz COHFJEPHLCIKQM-UHFFFAOYSA-N 0 1 311.769 1.598 10 0 DDAEMN O=S(=O)(NCCN1CCCCCC1)c1ccnc(Cl)c1 ZINC000040768170 183131881 /nfs/dbraw/zinc/13/18/81/183131881.db2.gz QGVKOZONZXVYCT-UHFFFAOYSA-N 0 1 317.842 1.889 10 0 DDAEMN Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CNCCO1 ZINC000043707833 183382850 /nfs/dbraw/zinc/38/28/50/183382850.db2.gz PUTZHKOGUHLBJW-NSHDSACASA-N 0 1 313.195 1.993 10 0 DDAEMN O=C(NCc1nccn1C(F)F)N1CCN2CCCC[C@@H]2C1 ZINC000105225720 194087254 /nfs/dbraw/zinc/08/72/54/194087254.db2.gz GMZVJAZQZQHUNG-LLVKDONJSA-N 0 1 313.352 1.658 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2nccs2)CCN1CCOC ZINC000105836627 194141432 /nfs/dbraw/zinc/14/14/32/194141432.db2.gz NMJRZRRYDLORBA-GFCCVEGCSA-N 0 1 312.439 1.124 10 0 DDAEMN CCc1cc(C(=O)N2CCC(c3nncn3CC)CC2)n[nH]1 ZINC000105861838 194148576 /nfs/dbraw/zinc/14/85/76/194148576.db2.gz HKZJFEOZLJLMHQ-UHFFFAOYSA-N 0 1 302.382 1.603 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1C ZINC000105912254 194168471 /nfs/dbraw/zinc/16/84/71/194168471.db2.gz HXYKPCLSACHYHS-VXGBXAGGSA-N 0 1 322.434 1.685 10 0 DDAEMN Cc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)c(F)c1 ZINC000105932984 194173546 /nfs/dbraw/zinc/17/35/46/194173546.db2.gz RXDOKHIHWQJAAN-CHWSQXEVSA-N 0 1 309.385 1.381 10 0 DDAEMN CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(CN)s1 ZINC000111179727 194399196 /nfs/dbraw/zinc/39/91/96/194399196.db2.gz WPWXNVHCRILIEO-SNVBAGLBSA-N 0 1 304.437 1.254 10 0 DDAEMN CC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000111450407 194412197 /nfs/dbraw/zinc/41/21/97/194412197.db2.gz WXKGKRDKYPEDPX-WDEREUQCSA-N 0 1 315.439 1.371 10 0 DDAEMN COc1ccc(CNCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000059867782 184141990 /nfs/dbraw/zinc/14/19/90/184141990.db2.gz KYJZBGAMHLCFOI-UHFFFAOYSA-N 0 1 320.389 1.150 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(N)cc1Cl ZINC000061642468 184180444 /nfs/dbraw/zinc/18/04/44/184180444.db2.gz MHZABOVYDKXOAI-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N2CCC[C@H]2CN(C)C)cn1 ZINC000061655949 184181286 /nfs/dbraw/zinc/18/12/86/184181286.db2.gz RLLUWJIKPDBIOD-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN COCCCN(C)[C@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000062031577 184202363 /nfs/dbraw/zinc/20/23/63/184202363.db2.gz GUMDELGHTKPCSS-LLVKDONJSA-N 0 1 309.435 1.616 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000154932243 197005669 /nfs/dbraw/zinc/00/56/69/197005669.db2.gz QSOCKOFVJXJVCH-LLVKDONJSA-N 0 1 320.817 1.945 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)OCC)o2)C[C@@H]1C ZINC000120901172 195260989 /nfs/dbraw/zinc/26/09/89/195260989.db2.gz AGSPGMVZBPOJPN-AWEZNQCLSA-N 0 1 324.421 1.999 10 0 DDAEMN COCCn1cc2c(n1)[C@H](CNCc1ccc(C)o1)OCC2 ZINC000096086885 257135644 /nfs/dbraw/zinc/13/56/44/257135644.db2.gz CBJGBYMJESZMBZ-HNNXBMFYSA-N 0 1 305.378 1.835 10 0 DDAEMN Fc1ccccc1C[N@H+]1C[C@@H]2COC[C@@]2(CN2CCOCC2)C1 ZINC000503717016 257209887 /nfs/dbraw/zinc/20/98/87/257209887.db2.gz KYAIRFUMXXTPMY-SJLPKXTDSA-N 0 1 320.408 1.606 10 0 DDAEMN NCC(=O)Nc1ccc(I)cc1Cl ZINC000037045409 406986652 /nfs/dbraw/zinc/98/66/52/406986652.db2.gz HHYNZLIZOVRPQE-UHFFFAOYSA-N 0 1 310.522 1.842 10 0 DDAEMN C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCCO1 ZINC000048840515 407108113 /nfs/dbraw/zinc/10/81/13/407108113.db2.gz PLKPTGWXJJGPCA-WRWORJQWSA-N 0 1 309.309 1.950 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000123463489 407329421 /nfs/dbraw/zinc/32/94/21/407329421.db2.gz MVCJKXUQJCRJHZ-HNNXBMFYSA-N 0 1 308.422 1.592 10 0 DDAEMN COc1ccc(CN(C)C[C@@H](O)CN2CCCC2=O)c(OC)c1 ZINC000111682800 407414481 /nfs/dbraw/zinc/41/44/81/407414481.db2.gz GVHLWQHQWAKRTQ-CQSZACIVSA-N 0 1 322.405 1.119 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CC[C@H](c3cnn(C)c3)C2)[nH]1 ZINC000128395704 407531470 /nfs/dbraw/zinc/53/14/70/407531470.db2.gz ZZKXZPPAYYSUCL-LBPRGKRZSA-N 0 1 301.394 1.440 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000170903713 407547974 /nfs/dbraw/zinc/54/79/74/407547974.db2.gz YMXJJHRCZYSTSN-INIZCTEOSA-N 0 1 317.433 1.336 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000171427073 407685790 /nfs/dbraw/zinc/68/57/90/407685790.db2.gz GRPOBOYHCSEHGT-JTQLQIEISA-N 0 1 306.790 1.804 10 0 DDAEMN NC(=O)c1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000171563997 407704898 /nfs/dbraw/zinc/70/48/98/407704898.db2.gz DHXVWJCXAIIXSA-CQSZACIVSA-N 0 1 302.378 1.488 10 0 DDAEMN Cc1ccccc1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186649826 407730288 /nfs/dbraw/zinc/73/02/88/407730288.db2.gz NGZQVBWNBOEGLG-MRXNPFEDSA-N 0 1 318.417 1.935 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000262241267 407772585 /nfs/dbraw/zinc/77/25/85/407772585.db2.gz HSRITOMMEYKEPL-AWEZNQCLSA-N 0 1 317.345 1.795 10 0 DDAEMN CN(C)C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000116782984 407773334 /nfs/dbraw/zinc/77/33/34/407773334.db2.gz RWJBQEIHDOIMIY-INIZCTEOSA-N 0 1 316.401 1.147 10 0 DDAEMN CCOCCN1CCN(C(=O)Cn2nc(C)cc2C)C[C@@H]1CC ZINC000116768715 407773448 /nfs/dbraw/zinc/77/34/48/407773448.db2.gz GYWGOGWNXFTINP-INIZCTEOSA-N 0 1 322.453 1.459 10 0 DDAEMN CN(C)C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000116782981 407774081 /nfs/dbraw/zinc/77/40/81/407774081.db2.gz RWJBQEIHDOIMIY-MRXNPFEDSA-N 0 1 316.401 1.147 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000262264363 407778999 /nfs/dbraw/zinc/77/89/99/407778999.db2.gz JSMPZAUMXUBACT-CABZTGNLSA-N 0 1 315.211 1.470 10 0 DDAEMN CCOc1cc(C)nc(N2CCN(Cc3cnc[nH]3)CC2)n1 ZINC000179523079 407802418 /nfs/dbraw/zinc/80/24/18/407802418.db2.gz PHFXQQRBONXFCB-UHFFFAOYSA-N 0 1 302.382 1.229 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000262383002 407818683 /nfs/dbraw/zinc/81/86/83/407818683.db2.gz YBJXWCQRIINWAI-LSDHHAIUSA-N 0 1 322.405 1.143 10 0 DDAEMN Cc1cnn(CCNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000117812816 407862435 /nfs/dbraw/zinc/86/24/35/407862435.db2.gz NSXXQPDRFNYBGN-QGZVFWFLSA-N 0 1 312.417 1.972 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CC1(O)CCCC1 ZINC000153680585 407878242 /nfs/dbraw/zinc/87/82/42/407878242.db2.gz VNXLZVDRDZOLNP-MRXNPFEDSA-N 0 1 304.434 1.923 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCCCSC)C1 ZINC000262713329 407907385 /nfs/dbraw/zinc/90/73/85/407907385.db2.gz MNEAGSKQDNORSH-UHFFFAOYSA-N 0 1 302.440 1.573 10 0 DDAEMN COCCN1CCN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1C ZINC000181279309 407976772 /nfs/dbraw/zinc/97/67/72/407976772.db2.gz ABLOXYQFCSZXCN-CYBMUJFWSA-N 0 1 319.453 1.643 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000174096503 407915031 /nfs/dbraw/zinc/91/50/31/407915031.db2.gz IKNXQISMGXYUFU-JKSUJKDBSA-N 0 1 313.486 1.409 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCC[C@H](C)C2)C1 ZINC000262998082 407998845 /nfs/dbraw/zinc/99/88/45/407998845.db2.gz MMSDFEZMEBNNJA-MRFVTOPCSA-N 0 1 311.426 1.802 10 0 DDAEMN COCCN1CCN(CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000189160091 407999024 /nfs/dbraw/zinc/99/90/24/407999024.db2.gz ZSLPLYVEAGKNKI-NSHDSACASA-N 0 1 316.339 1.556 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000263240334 408070368 /nfs/dbraw/zinc/07/03/68/408070368.db2.gz KYZKTZLBYJBRGT-LLVKDONJSA-N 0 1 320.418 1.809 10 0 DDAEMN CCn1cnnc1C1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175207921 408078279 /nfs/dbraw/zinc/07/82/79/408078279.db2.gz KXKJHPCZEHRSPP-ZDUSSCGKSA-N 0 1 307.442 1.733 10 0 DDAEMN CCOc1ccc([C@@H](C)NC(=O)[C@@H](N)COC)cc1OCC ZINC000263264225 408081848 /nfs/dbraw/zinc/08/18/48/408081848.db2.gz UOCAKVCZWDNSEV-YPMHNXCESA-N 0 1 310.394 1.635 10 0 DDAEMN CN(C)NS(=O)(=O)c1cc(Cl)c(Br)s1 ZINC000149900451 408193616 /nfs/dbraw/zinc/19/36/16/408193616.db2.gz LLYHISLEJZOCNS-UHFFFAOYSA-N 0 1 319.633 1.919 10 0 DDAEMN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](COC)Cc2ccccc2)C1 ZINC000263484250 408151019 /nfs/dbraw/zinc/15/10/19/408151019.db2.gz GZHLZHLTZYSJID-CGZBRXJRSA-N 0 1 320.433 1.771 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](COC)Cc2ccccc2)C1 ZINC000263484250 408151024 /nfs/dbraw/zinc/15/10/24/408151024.db2.gz GZHLZHLTZYSJID-CGZBRXJRSA-N 0 1 320.433 1.771 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@H]3CC=CCC3)CCO2)n[nH]1 ZINC000137599072 408159877 /nfs/dbraw/zinc/15/98/77/408159877.db2.gz ZUWHFJHTGAESNA-QWHCGFSZSA-N 0 1 319.409 1.806 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)N2CCNC2=O)C12CCCC2 ZINC000121215914 408163679 /nfs/dbraw/zinc/16/36/79/408163679.db2.gz PVIOAKDVGBMFEQ-QWHCGFSZSA-N 0 1 309.410 1.208 10 0 DDAEMN CC(C)(C)OC[C@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157055758 408287206 /nfs/dbraw/zinc/28/72/06/408287206.db2.gz GFCFMNKPRZQXFU-CHWSQXEVSA-N 0 1 316.442 1.761 10 0 DDAEMN CCC(CC)N1C[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000171756711 162240896 /nfs/dbraw/zinc/24/08/96/162240896.db2.gz RSIAYJMNCIHBNH-DZGCQCFKSA-N 0 1 307.438 1.330 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3nccc4ccccc43)CCO2)n[nH]1 ZINC000173532363 162345709 /nfs/dbraw/zinc/34/57/09/162345709.db2.gz ZAHDXBSEVYNLNW-AWEZNQCLSA-N 0 1 323.356 1.875 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)n[nH]1 ZINC000173667580 162355299 /nfs/dbraw/zinc/35/52/99/162355299.db2.gz MWRHOXHBSXHHSO-OAHLLOKOSA-N 0 1 300.362 1.622 10 0 DDAEMN O[C@@H](COc1ccccc1F)CN1CCC[C@@H](n2cncn2)C1 ZINC000247140418 408416758 /nfs/dbraw/zinc/41/67/58/408416758.db2.gz KXYRRJBVNAFTRA-ZIAGYGMSSA-N 0 1 320.368 1.494 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1CCOC ZINC000247249423 408438155 /nfs/dbraw/zinc/43/81/55/408438155.db2.gz XQUBZIYXURNRGL-HOCLYGCPSA-N 0 1 318.417 1.732 10 0 DDAEMN CC(C)OCCCCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248623316 408600439 /nfs/dbraw/zinc/60/04/39/408600439.db2.gz NNKRXLVGIZNEAM-CABCVRRESA-N 0 1 315.458 1.288 10 0 DDAEMN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCN2CCCC[C@H]2C1 ZINC000248834740 408642943 /nfs/dbraw/zinc/64/29/43/408642943.db2.gz MXZGDGSBYSBGOU-OWCLPIDISA-N 0 1 307.438 1.824 10 0 DDAEMN CCOCCN1CCN(C(=O)c2c[nH]c(=S)[nH]2)C[C@H]1CC ZINC000193089103 408692026 /nfs/dbraw/zinc/69/20/26/408692026.db2.gz XIPLWHTUNZSTNR-LLVKDONJSA-N 0 1 312.439 1.271 10 0 DDAEMN C=Cn1cc(CNCc2n[nH]c(COc3ccccc3)n2)cn1 ZINC000194421701 408782322 /nfs/dbraw/zinc/78/23/22/408782322.db2.gz HGQUVQONJPXPOO-UHFFFAOYSA-N 0 1 310.361 1.971 10 0 DDAEMN CSCCCCCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000251659579 408784499 /nfs/dbraw/zinc/78/44/99/408784499.db2.gz KMSVPTGMEGWYNK-KGLIPLIRSA-N 0 1 317.499 1.616 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@H]2CC[C@H](C)O2)CC1 ZINC000188577816 163058832 /nfs/dbraw/zinc/05/88/32/163058832.db2.gz KBXZHVNNCIKVRL-XJKSGUPXSA-N 0 1 306.454 1.722 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(CCOC)[C@H](C)C1 ZINC000192001230 163212121 /nfs/dbraw/zinc/21/21/21/163212121.db2.gz NRQXPCSOSAFLIN-ZIAGYGMSSA-N 0 1 300.443 1.759 10 0 DDAEMN CCn1cc(CCN2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)cn1 ZINC000286285661 408955703 /nfs/dbraw/zinc/95/57/03/408955703.db2.gz UUJHQOKPGVJJRG-KGLIPLIRSA-N 0 1 304.398 1.334 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(C[C@H](O)Cc2ccccc2)CCN1C ZINC000280176354 409264581 /nfs/dbraw/zinc/26/45/81/409264581.db2.gz SSYNMBNJQDXNIL-SJORKVTESA-N 0 1 314.433 1.312 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccc(C)o2)C1 ZINC000263456055 163969796 /nfs/dbraw/zinc/96/97/96/163969796.db2.gz HIGYIZNNYRLZDB-UHFFFAOYSA-N 0 1 323.393 1.667 10 0 DDAEMN Cc1n[nH]c(C2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1 ZINC000301170202 410668828 /nfs/dbraw/zinc/66/88/28/410668828.db2.gz GBESHAILZNUADN-UHFFFAOYSA-N 0 1 320.784 1.644 10 0 DDAEMN Cc1nnc(C2CCN(c3ncc(C(N)=O)cc3Cl)CC2)[nH]1 ZINC000301170202 410668835 /nfs/dbraw/zinc/66/88/35/410668835.db2.gz GBESHAILZNUADN-UHFFFAOYSA-N 0 1 320.784 1.644 10 0 DDAEMN O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ccnc(C2CC2)n1 ZINC000527566706 417262562 /nfs/dbraw/zinc/26/25/62/417262562.db2.gz VPNINXMFTVYTOV-QJPTWQEYSA-N 0 1 300.366 1.439 10 0 DDAEMN CCCN1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000049930732 418478100 /nfs/dbraw/zinc/47/81/00/418478100.db2.gz FFDKPOSATXETCD-AWEZNQCLSA-N 0 1 318.421 1.751 10 0 DDAEMN CN(C)C[C@@H](NC(=O)C(=O)c1cnn(C)c1)c1ccccc1 ZINC000195157368 418552698 /nfs/dbraw/zinc/55/26/98/418552698.db2.gz IVOGFZZXXSXBCE-CQSZACIVSA-N 0 1 300.362 1.022 10 0 DDAEMN Cn1cc(O[C@@H]2CN(Cc3cccc(C4CC4)c3)C[C@H]2O)cn1 ZINC000628376672 422158563 /nfs/dbraw/zinc/15/85/63/422158563.db2.gz GTACGZJNZHHXPT-QZTJIDSGSA-N 0 1 313.401 1.922 10 0 DDAEMN Cn1nncc1CN[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 ZINC000583616596 422197512 /nfs/dbraw/zinc/19/75/12/422197512.db2.gz OTOYCXYOFQRDBR-RDJZCZTQSA-N 0 1 324.388 1.621 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1nnc[nH]1 ZINC000616597485 422513039 /nfs/dbraw/zinc/51/30/39/422513039.db2.gz IKDMGEKPPOJYEL-NSHDSACASA-N 0 1 311.386 1.093 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CC[C@@H](c2cccc(N)n2)C1 ZINC000616611250 422517861 /nfs/dbraw/zinc/51/78/61/422517861.db2.gz BOCUQJSALGLVLA-GFCCVEGCSA-N 0 1 306.410 1.978 10 0 DDAEMN CCOCCN1CCN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1C ZINC000174736074 263348394 /nfs/dbraw/zinc/34/83/94/263348394.db2.gz SUZAGSKBVWHDTH-AWEZNQCLSA-N 0 1 320.437 1.330 10 0 DDAEMN COC(=O)N1CCC([C@@H](C)NCc2nnc(C3CC3)n2C)CC1 ZINC000186372767 263398982 /nfs/dbraw/zinc/39/89/82/263398982.db2.gz NCQGQXQCPYBMDH-LLVKDONJSA-N 0 1 321.425 1.649 10 0 DDAEMN CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262508162 279336663 /nfs/dbraw/zinc/33/66/63/279336663.db2.gz OLPJYFWTGGWWMM-ZIAGYGMSSA-N 0 1 313.442 1.113 10 0 DDAEMN CCOc1ccccc1NC(=O)[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000105933212 281051752 /nfs/dbraw/zinc/05/17/52/281051752.db2.gz NVFUNWBKPCWOGC-KGLIPLIRSA-N 0 1 321.421 1.333 10 0 DDAEMN Cc1cncc(/C=C/C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246709265 282008154 /nfs/dbraw/zinc/00/81/54/282008154.db2.gz UHGZWQXOJFFWJC-YJQVQVLHSA-N 0 1 303.406 1.317 10 0 DDAEMN CCc1noc([C@H](C)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n1 ZINC000375438207 307226511 /nfs/dbraw/zinc/22/65/11/307226511.db2.gz NPDLARJXPCTASI-VPWBDBDCSA-N 0 1 309.410 1.945 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)C(=O)[O-] ZINC000309886584 484378456 /nfs/dbraw/zinc/37/84/56/484378456.db2.gz LIBUNAIEHXIPEO-STQMWFEESA-N 0 1 307.394 1.527 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C(=O)[O-])nn1 ZINC000381085765 490777649 /nfs/dbraw/zinc/77/76/49/490777649.db2.gz VAMCYGKESDQRRU-LBPRGKRZSA-N 0 1 300.362 1.529 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2S(=O)(=O)N2CC[C@H](C)C2)n[nH]1 ZINC000328738316 534557522 /nfs/dbraw/zinc/55/75/22/534557522.db2.gz MCJLSFFLATYQBJ-JQWIXIFHSA-N 0 1 313.427 1.227 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000106386837 696626866 /nfs/dbraw/zinc/62/68/66/696626866.db2.gz HWNRVPLWYRLSER-GFCCVEGCSA-N 0 1 300.834 1.270 10 0 DDAEMN CCCCOC(=O)[C@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000119170364 696678157 /nfs/dbraw/zinc/67/81/57/696678157.db2.gz QIULIEMHAQWZBV-LSDHHAIUSA-N 0 1 300.443 1.761 10 0 DDAEMN CCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000184657615 697506210 /nfs/dbraw/zinc/50/62/10/697506210.db2.gz MHERQHHMVACONS-HNNXBMFYSA-N 0 1 324.446 1.928 10 0 DDAEMN CCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000184657615 697506212 /nfs/dbraw/zinc/50/62/12/697506212.db2.gz MHERQHHMVACONS-HNNXBMFYSA-N 0 1 324.446 1.928 10 0 DDAEMN CC(C)c1cc(C(=O)N[C@@H]2CN3CCC2CC3)nc(N(C)C)n1 ZINC000222579062 697757461 /nfs/dbraw/zinc/75/74/61/697757461.db2.gz APWJLOLOIDQUGL-OAHLLOKOSA-N 0 1 317.437 1.490 10 0 DDAEMN C/C=C(/C)C[N@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C(C)C)C1 ZINC000229939556 697780730 /nfs/dbraw/zinc/78/07/30/697780730.db2.gz XSBGSFLJLJALKZ-SADRXWBLSA-N 0 1 303.472 1.305 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246309522 698347714 /nfs/dbraw/zinc/34/77/14/698347714.db2.gz AGHYPNRUUOYZLJ-XHSDSOJGSA-N 0 1 313.486 1.458 10 0 DDAEMN CCCCCCNC(=O)CN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247229966 698363477 /nfs/dbraw/zinc/36/34/77/698363477.db2.gz RFKXOKBBLCXXQI-HOTGVXAUSA-N 0 1 313.486 1.460 10 0 DDAEMN CCOCCN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000249459467 698392664 /nfs/dbraw/zinc/39/26/64/698392664.db2.gz YWEFHRIYTYAGGD-GFCCVEGCSA-N 0 1 308.382 1.724 10 0 DDAEMN COC[C@H](N)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000262273696 698462576 /nfs/dbraw/zinc/46/25/76/698462576.db2.gz KTWKBYYLLRJGCM-LBPRGKRZSA-N 0 1 303.189 1.852 10 0 DDAEMN O=C(C[C@H]1COCCN1)NCC1CCC(C(F)(F)F)CC1 ZINC000262489865 698471591 /nfs/dbraw/zinc/47/15/91/698471591.db2.gz HODPFPOEFNLPJM-MCIGGMRASA-N 0 1 308.344 1.850 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000262596371 698476018 /nfs/dbraw/zinc/47/60/18/698476018.db2.gz XCPINKXEEKMZTG-MRXNPFEDSA-N 0 1 318.417 1.866 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C(C)C)on2)C1 ZINC000263125814 698492371 /nfs/dbraw/zinc/49/23/71/698492371.db2.gz XOUQYOCFWZVEER-UHFFFAOYSA-N 0 1 324.381 1.857 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ncc(Cl)cn2)C1 ZINC000263560045 698513587 /nfs/dbraw/zinc/51/35/87/698513587.db2.gz QTTYVNSPKJWHJE-UHFFFAOYSA-N 0 1 310.785 1.870 10 0 DDAEMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2n[nH]cc2C)cn1 ZINC000329528302 698753452 /nfs/dbraw/zinc/75/34/52/698753452.db2.gz SPATZZJGUFBLRH-DOMZBBRYSA-N 0 1 302.382 1.884 10 0 DDAEMN C[C@@H]1CNC[C@H](c2nc(CCn3cnc4ccccc43)no2)O1 ZINC000854135036 704359895 /nfs/dbraw/zinc/35/98/95/704359895.db2.gz RQAIXMFPQNXBJQ-BXUZGUMPSA-N 0 1 313.361 1.711 10 0 DDAEMN Cc1noc([C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@@H](C)O2)n1 ZINC000886085466 708695260 /nfs/dbraw/zinc/69/52/60/708695260.db2.gz QNWGBYGZTUBNSY-AMIZOPFISA-N 0 1 317.349 1.581 10 0 DDAEMN C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]2c2nn[n-]n2)cc1 ZINC000900396718 709575687 /nfs/dbraw/zinc/57/56/87/709575687.db2.gz QQYDABKXAIJRSK-AWEZNQCLSA-N 0 1 314.393 1.281 10 0 DDAEMN CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2nn[nH]n2)nc1 ZINC000900397014 709576183 /nfs/dbraw/zinc/57/61/83/709576183.db2.gz QUAVVOIEQSWXBL-LBPRGKRZSA-N 0 1 302.338 1.359 10 0 DDAEMN Clc1nc2[nH]cnc2c(N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000892378633 710426292 /nfs/dbraw/zinc/42/62/92/710426292.db2.gz IXIQZYMAJWQVAV-SECBINFHSA-N 0 1 319.756 1.108 10 0 DDAEMN NC(=O)[C@H](CSc1ccc(Br)cn1)NC1CC1 ZINC000079447568 185172055 /nfs/dbraw/zinc/17/20/55/185172055.db2.gz DRVDYFFDIFMLOY-VIFPVBQESA-N 0 1 316.224 1.542 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCOC)c1ccc2c(c1)OCO2 ZINC000081944420 192346249 /nfs/dbraw/zinc/34/62/49/192346249.db2.gz MPJLMQSVCBFRTL-GFCCVEGCSA-N 0 1 315.391 1.127 10 0 DDAEMN C[C@@H]1CCN(C[C@@H](O)COCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249569070 282174726 /nfs/dbraw/zinc/17/47/26/282174726.db2.gz NUNDMVJOSZYMRJ-FVQBIDKESA-N 0 1 306.406 1.150 10 0 DDAEMN C[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(C(=O)[O-])cc3s2)C1 ZINC000087848438 185233267 /nfs/dbraw/zinc/23/32/67/185233267.db2.gz LENQILYPIFGNSC-VIFPVBQESA-N 0 1 305.359 1.885 10 0 DDAEMN CNCc1nnnn1-c1c(F)cc(Br)cc1F ZINC000088172798 185241043 /nfs/dbraw/zinc/24/10/43/185241043.db2.gz QUAXXWIUZMGIDZ-UHFFFAOYSA-N 0 1 304.098 1.422 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)COc3cccnc3)CC2)CCO1 ZINC000328911321 231384320 /nfs/dbraw/zinc/38/43/20/231384320.db2.gz OCKGQBVIMYBQME-CQSZACIVSA-N 0 1 319.405 1.172 10 0 DDAEMN C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000181726795 539238467 /nfs/dbraw/zinc/23/84/67/539238467.db2.gz ASXHGGDGJPSICP-GFCCVEGCSA-N 0 1 304.390 1.977 10 0 DDAEMN CCc1ccc([C@H](COC)NC[C@H](O)CN2CCCC2=O)o1 ZINC000184840914 539244940 /nfs/dbraw/zinc/24/49/40/539244940.db2.gz ZYBOAQQUXRRVNV-JSGCOSHPSA-N 0 1 310.394 1.102 10 0 DDAEMN CCOC(=O)CS(=O)(=O)C[C@@H](NC)c1ccc(C)c(C)c1 ZINC000081978012 192349116 /nfs/dbraw/zinc/34/91/16/192349116.db2.gz DGNNXSBGVRULSF-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN CCOCC[N@H+]1CCN(c2ncnc3onc(C)c32)C[C@@H]1CC ZINC000193394390 539261446 /nfs/dbraw/zinc/26/14/46/539261446.db2.gz KUVKWHZPSVGJPY-ZDUSSCGKSA-N 0 1 319.409 1.863 10 0 DDAEMN CCOCCN1CCN(c2ncnc3onc(C)c32)C[C@@H]1CC ZINC000193394390 539261448 /nfs/dbraw/zinc/26/14/48/539261448.db2.gz KUVKWHZPSVGJPY-ZDUSSCGKSA-N 0 1 319.409 1.863 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)NCCN3CCCC3)c(N)c12 ZINC000088643146 185261240 /nfs/dbraw/zinc/26/12/40/185261240.db2.gz QBVIWRAOUXXANL-UHFFFAOYSA-N 0 1 307.423 1.351 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(CO)ccc1C ZINC000088895169 185270146 /nfs/dbraw/zinc/27/01/46/185270146.db2.gz RLUPBRBIAOILED-UHFFFAOYSA-N 0 1 314.451 1.450 10 0 DDAEMN CC[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]nc2CO)CC1 ZINC000088902375 185270701 /nfs/dbraw/zinc/27/07/01/185270701.db2.gz RHOHTOASZLRBAK-LLVKDONJSA-N 0 1 301.412 1.411 10 0 DDAEMN CCOc1ccc([C@@H](N)CS(=O)(=O)C2CCOCC2)cc1 ZINC000081990396 192350702 /nfs/dbraw/zinc/35/07/02/192350702.db2.gz MSZVFOMYDYXVTN-HNNXBMFYSA-N 0 1 313.419 1.679 10 0 DDAEMN CCN[C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081990534 192350731 /nfs/dbraw/zinc/35/07/31/192350731.db2.gz RZSNICJVIHPTFG-JKSUJKDBSA-N 0 1 309.431 1.856 10 0 DDAEMN Cn1nccc1C1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC000139376762 186022428 /nfs/dbraw/zinc/02/24/28/186022428.db2.gz CJNZLFIFWJTYKB-UHFFFAOYSA-N 0 1 316.409 1.657 10 0 DDAEMN COc1ccnc(CN2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)c1 ZINC000072433471 191163954 /nfs/dbraw/zinc/16/39/54/191163954.db2.gz VABLKDFBFZHDBX-AWEZNQCLSA-N 0 1 305.378 1.119 10 0 DDAEMN CC(C)c1nc([C@H]2CCCN2c2nc3[nH]ncc3c(=O)[nH]2)no1 ZINC000277167185 213340795 /nfs/dbraw/zinc/34/07/95/213340795.db2.gz FLCGLCSZRFRTSV-SECBINFHSA-N 0 1 315.337 1.906 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173578760 198229824 /nfs/dbraw/zinc/22/98/24/198229824.db2.gz WAWOLAYEDMXCQW-LBPRGKRZSA-N 0 1 322.315 1.859 10 0 DDAEMN Cc1cnn([C@H]2CCCN(C(=O)CSc3nnc(C)[nH]3)C2)c1 ZINC000174661569 198366994 /nfs/dbraw/zinc/36/69/94/198366994.db2.gz OXBLYHDZWSJQBW-LBPRGKRZSA-N 0 1 320.422 1.574 10 0 DDAEMN Cc1cnn([C@H]2CCCN(C(=O)CSc3nc(C)n[nH]3)C2)c1 ZINC000174661569 198366995 /nfs/dbraw/zinc/36/69/95/198366995.db2.gz OXBLYHDZWSJQBW-LBPRGKRZSA-N 0 1 320.422 1.574 10 0 DDAEMN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)(C)CN(C)C ZINC000085355199 353732854 /nfs/dbraw/zinc/73/28/54/353732854.db2.gz ULQWCLYAUIKOSZ-LLVKDONJSA-N 0 1 309.435 1.701 10 0 DDAEMN Cc1ccccc1[C@H](C)NCC(=O)NCC(=O)N1CCCC1 ZINC000126278000 354053466 /nfs/dbraw/zinc/05/34/66/354053466.db2.gz OBBMYRSNBWMLEN-AWEZNQCLSA-N 0 1 303.406 1.384 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)NCCCC1CCCCC1 ZINC000237321218 202229334 /nfs/dbraw/zinc/22/93/34/202229334.db2.gz OBJFISUKNWZRIP-CYBMUJFWSA-N 0 1 304.456 1.225 10 0 DDAEMN O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1c(F)cc(F)cc1F ZINC000618460839 363638578 /nfs/dbraw/zinc/63/85/78/363638578.db2.gz ABDAMDKYZRYNMI-RKDXNWHRSA-N 0 1 309.309 1.686 10 0 DDAEMN CCOCCN1CCN(C(=O)c2coc(CN)c2)C[C@@H]1CC ZINC000188188766 200206385 /nfs/dbraw/zinc/20/63/85/200206385.db2.gz HDUQOZMKMHUMJL-AWEZNQCLSA-N 0 1 309.410 1.311 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCOCC(F)F ZINC000188736588 200296718 /nfs/dbraw/zinc/29/67/18/200296718.db2.gz JGNFZTICXNZRJU-CYBMUJFWSA-N 0 1 300.349 1.557 10 0 DDAEMN Cc1cc(CNC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)on1 ZINC000194681130 201272788 /nfs/dbraw/zinc/27/27/88/201272788.db2.gz XVLCLHZBIMXIHZ-CYBMUJFWSA-N 0 1 322.409 1.378 10 0 DDAEMN Nc1nc2c(c(NCc3cn4c(n3)SCC4)n1)CCCC2 ZINC000091907822 193124946 /nfs/dbraw/zinc/12/49/46/193124946.db2.gz XKYYOPUSXZLLCS-UHFFFAOYSA-N 0 1 302.407 1.852 10 0 DDAEMN CCc1csc([C@@H]2CCCN(C(=O)C[C@@H]3COCCN3)C2)n1 ZINC000262465020 203302576 /nfs/dbraw/zinc/30/25/76/203302576.db2.gz XSSAWJNRDYVWJI-TZMCWYRMSA-N 0 1 323.462 1.790 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853724 193320310 /nfs/dbraw/zinc/32/03/10/193320310.db2.gz LAYWQKBXLIKQPO-CPCISQLKSA-N 0 1 302.425 1.119 10 0 DDAEMN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000094345141 193362242 /nfs/dbraw/zinc/36/22/42/193362242.db2.gz MRFUPJUJZOMPES-LDYMZIIASA-N 0 1 313.195 1.883 10 0 DDAEMN CCC[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638318 193388008 /nfs/dbraw/zinc/38/80/08/193388008.db2.gz PUNKPUBXHXAZAE-IPYPFGDCSA-N 0 1 317.451 1.919 10 0 DDAEMN NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000021060616 182263812 /nfs/dbraw/zinc/26/38/12/182263812.db2.gz ICMUEUWIDZNMDY-UHFFFAOYSA-N 0 1 305.359 1.045 10 0 DDAEMN CCN1CCN([C@@H](C)C(=O)Nc2ccc(N)cc2Cl)CC1 ZINC000021518712 182277722 /nfs/dbraw/zinc/27/77/22/182277722.db2.gz LSOLKWSPVRZLJU-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN O=C([O-])CN(C(=O)[C@@H]1CSC[NH2+]1)c1cccc(Cl)c1 ZINC000040484569 183077815 /nfs/dbraw/zinc/07/78/15/183077815.db2.gz JCIHACWMXMWJNI-JTQLQIEISA-N 0 1 300.767 1.420 10 0 DDAEMN CCN(CC)C(=O)CCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105145508 194079189 /nfs/dbraw/zinc/07/91/89/194079189.db2.gz AFQAKVYMFXBTFF-OAHLLOKOSA-N 0 1 324.469 1.515 10 0 DDAEMN COCCN1CCN(Cc2cc(C(=O)OC)c(C)o2)C[C@H]1C ZINC000105831796 194139451 /nfs/dbraw/zinc/13/94/51/194139451.db2.gz OLWBWLCRANDLDZ-GFCCVEGCSA-N 0 1 310.394 1.527 10 0 DDAEMN CC(C)CNC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802691 194132436 /nfs/dbraw/zinc/13/24/36/194132436.db2.gz PDGNPHSOEGIKBK-AWEZNQCLSA-N 0 1 305.426 1.149 10 0 DDAEMN CCOCCN1CCN(CC(=O)N2CCCCC2)C[C@@H]1CC ZINC000105837801 194144644 /nfs/dbraw/zinc/14/46/44/194144644.db2.gz PGEZHQWKIYLEON-INIZCTEOSA-N 0 1 311.470 1.432 10 0 DDAEMN CSc1cccc(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000105932832 194173679 /nfs/dbraw/zinc/17/36/79/194173679.db2.gz AMZDYPKNWWEVQW-JSGCOSHPSA-N 0 1 323.462 1.656 10 0 DDAEMN NC(=S)CN1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000109443016 194263398 /nfs/dbraw/zinc/26/33/98/194263398.db2.gz DAGQZKKPBKNTQI-UHFFFAOYSA-N 0 1 304.341 1.509 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000109465019 194265819 /nfs/dbraw/zinc/26/58/19/194265819.db2.gz RTOSGVVNIVCYPM-CHWSQXEVSA-N 0 1 313.467 1.012 10 0 DDAEMN O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000110795949 194359310 /nfs/dbraw/zinc/35/93/10/194359310.db2.gz LNFFZSFMEZMOIV-VIFPVBQESA-N 0 1 313.195 1.884 10 0 DDAEMN COc1cc(Br)ccc1C(=O)N[C@@H]1CCN(C)C1 ZINC000111159979 194397986 /nfs/dbraw/zinc/39/79/86/194397986.db2.gz JFFRCBFQCYTBFI-SNVBAGLBSA-N 0 1 313.195 1.892 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)NCc1ccccc1C(F)(F)F ZINC000059917581 184142529 /nfs/dbraw/zinc/14/25/29/184142529.db2.gz OBKNHNVZHOFIQL-QMMMGPOBSA-N 0 1 303.284 1.639 10 0 DDAEMN NNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000061639218 184179919 /nfs/dbraw/zinc/17/99/19/184179919.db2.gz ITOGEGIITQRTDB-UHFFFAOYSA-N 0 1 302.721 1.817 10 0 DDAEMN Cc1ncc(CN2CCC([N@H+]3CCC[C@@H]3C(=O)[O-])CC2)s1 ZINC000062337020 184230895 /nfs/dbraw/zinc/23/08/95/184230895.db2.gz NXSUWDBLFUDUAT-CQSZACIVSA-N 0 1 309.435 1.965 10 0 DDAEMN CC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCCCOC(C)C)C1 ZINC000062936805 184260940 /nfs/dbraw/zinc/26/09/40/184260940.db2.gz JCZLHYYJSZIFQC-OAHLLOKOSA-N 0 1 300.399 1.104 10 0 DDAEMN O=C1C[C@@H](NCCc2nccs2)C(=O)N1C1CCCCC1 ZINC000063134106 184272657 /nfs/dbraw/zinc/27/26/57/184272657.db2.gz BPUABYMLECBEKO-GFCCVEGCSA-N 0 1 307.419 1.735 10 0 DDAEMN COCCOc1ccccc1CN1CCN(CCOC)[C@H](C)C1 ZINC000120837431 195247499 /nfs/dbraw/zinc/24/74/99/195247499.db2.gz CQSUKZLPYQSXQX-MRXNPFEDSA-N 0 1 322.449 1.864 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CCC(Cn3cccn3)CC2)[nH]1 ZINC000122062017 195396438 /nfs/dbraw/zinc/39/64/38/195396438.db2.gz BCKGUIDAXLVCOP-UHFFFAOYSA-N 0 1 315.421 1.825 10 0 DDAEMN CCc1ccc(OCCCS(=O)(=O)c2n[nH]c(N)n2)cc1 ZINC000008015964 406775462 /nfs/dbraw/zinc/77/54/62/406775462.db2.gz QTDCIXMPIPINQC-UHFFFAOYSA-N 0 1 310.379 1.192 10 0 DDAEMN CNC(=O)NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107075 406956251 /nfs/dbraw/zinc/95/62/51/406956251.db2.gz XSSHSQYZIKNIAM-KBPBESRZSA-N 0 1 305.378 1.030 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)n[nH]1 ZINC000124629467 407364193 /nfs/dbraw/zinc/36/41/93/407364193.db2.gz XQBKRHWXIDORFO-AAEUAGOBSA-N 0 1 316.409 1.582 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CCS1 ZINC000170901430 407548980 /nfs/dbraw/zinc/54/89/80/407548980.db2.gz NBIPSHQXBOFZEU-QMMMGPOBSA-N 0 1 321.427 1.789 10 0 DDAEMN Cc1cnn(CCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1 ZINC000261823518 407629086 /nfs/dbraw/zinc/62/90/86/407629086.db2.gz HOPZCSSFMNLTIF-HNNXBMFYSA-N 0 1 311.389 1.359 10 0 DDAEMN CCO[C@H]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000186454804 407671226 /nfs/dbraw/zinc/67/12/26/407671226.db2.gz LZQMVHPWHLMLEV-KGLIPLIRSA-N 0 1 307.394 1.351 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000171427066 407686161 /nfs/dbraw/zinc/68/61/61/407686161.db2.gz GRPOBOYHCSEHGT-SNVBAGLBSA-N 0 1 306.790 1.804 10 0 DDAEMN COC[C@@H](N)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000262053491 407725908 /nfs/dbraw/zinc/72/59/08/407725908.db2.gz MXXMLZIVPDDSIP-GFCCVEGCSA-N 0 1 321.204 1.600 10 0 DDAEMN CC[C@@H](C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000171665403 407734991 /nfs/dbraw/zinc/73/49/91/407734991.db2.gz SIVKFDRZYOGZBY-ZBFHGGJFSA-N 0 1 319.449 1.580 10 0 DDAEMN Cc1ccccc1CN1CCN(Cc2noc(CN)n2)CC1 ZINC000262119780 407745345 /nfs/dbraw/zinc/74/53/45/407745345.db2.gz BYVSYBLTMZLWLH-UHFFFAOYSA-N 0 1 301.394 1.155 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1 ZINC000262189652 407764010 /nfs/dbraw/zinc/76/40/10/407764010.db2.gz CERIMGFUACAQKF-ZETCQYMHSA-N 0 1 315.395 1.139 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000262220237 407770566 /nfs/dbraw/zinc/77/05/66/407770566.db2.gz FPVZABPAFUDDHF-SECBINFHSA-N 0 1 308.712 1.531 10 0 DDAEMN CCOCCN1CCN(C(=O)CCn2cc(C)cn2)C[C@@H]1CC ZINC000116769149 407772711 /nfs/dbraw/zinc/77/27/11/407772711.db2.gz VTLFGCNPZTUMSQ-INIZCTEOSA-N 0 1 322.453 1.541 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(O)c2)CCN1CCOC ZINC000117483221 407838908 /nfs/dbraw/zinc/83/89/08/407838908.db2.gz RVSBVWOOTRQJMN-OAHLLOKOSA-N 0 1 321.421 1.644 10 0 DDAEMN COCCN1CCN(Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000180086441 407851863 /nfs/dbraw/zinc/85/18/63/407851863.db2.gz KYURLJQCTPEPNZ-CQSZACIVSA-N 0 1 308.470 1.870 10 0 DDAEMN CC[C@H]1CN(c2nccnc2OC(C)C)CCN1CCOC ZINC000180029115 407849720 /nfs/dbraw/zinc/84/97/20/407849720.db2.gz CTUZXZMJNYDZTO-AWEZNQCLSA-N 0 1 308.426 1.811 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262499197 407849997 /nfs/dbraw/zinc/84/99/97/407849997.db2.gz NIXHNFZQCVJEAE-CYBMUJFWSA-N 0 1 313.442 1.162 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000174618634 407970177 /nfs/dbraw/zinc/97/01/77/407970177.db2.gz HOBOSRRERMDGLO-CJNGLKHVSA-N 0 1 308.397 1.672 10 0 DDAEMN CCc1oc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1C ZINC000262929415 407974469 /nfs/dbraw/zinc/97/44/69/407974469.db2.gz LXYUQPHCHQURDV-GFCCVEGCSA-N 0 1 324.377 1.008 10 0 DDAEMN CC(=O)N[C@H]1CCCN(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000153854061 407916411 /nfs/dbraw/zinc/91/64/11/407916411.db2.gz DLOKVYDQLPEBPW-INIZCTEOSA-N 0 1 313.405 1.583 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)CCO2)n[nH]1 ZINC000174341531 407933591 /nfs/dbraw/zinc/93/35/91/407933591.db2.gz FRSGSHLTFCGGNQ-CYBMUJFWSA-N 0 1 318.381 1.184 10 0 DDAEMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CC(F)(F)CN1 ZINC000263158302 408043166 /nfs/dbraw/zinc/04/31/66/408043166.db2.gz DPTOXXXJOBJKTD-AWEZNQCLSA-N 0 1 324.375 1.159 10 0 DDAEMN O=C(c1cnc([C@H]2CCCO2)s1)N1CCN2CCC[C@H]2C1 ZINC000245543783 408012760 /nfs/dbraw/zinc/01/27/60/408012760.db2.gz AQEYDXYDYCAQGS-NWDGAFQWSA-N 0 1 307.419 1.915 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCCCOCC3CC3)CCO2)n[nH]1 ZINC000175328904 408107631 /nfs/dbraw/zinc/10/76/31/408107631.db2.gz RHSNGMSVLHRCHT-ZDUSSCGKSA-N 0 1 323.397 1.013 10 0 DDAEMN CC[C@H]1CN(c2cncc(OCC(C)C)n2)CCN1C[C@H](C)O ZINC000246091323 408139257 /nfs/dbraw/zinc/13/92/57/408139257.db2.gz NGAZGFWZWIATKC-GJZGRUSLSA-N 0 1 322.453 1.793 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NCc3nccs3)CCO2)n[nH]1 ZINC000137111302 408142678 /nfs/dbraw/zinc/14/26/78/408142678.db2.gz WZTBAYBPDFJTPH-SECBINFHSA-N 0 1 322.394 1.107 10 0 DDAEMN CCN(C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)C1CCCC1 ZINC000263487799 408153802 /nfs/dbraw/zinc/15/38/02/408153802.db2.gz QAOMTAXHRXIDGP-UHFFFAOYSA-N 0 1 311.426 1.898 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cc(OC)ccc2F)C1 ZINC000263528755 408165213 /nfs/dbraw/zinc/16/52/13/408165213.db2.gz VKQOBDOSPYXHTF-UHFFFAOYSA-N 0 1 310.369 1.861 10 0 DDAEMN C[C@H](NC(=O)CN[C@@H](C)c1cccs1)C(=O)N1CCCCC1 ZINC000182542925 408188963 /nfs/dbraw/zinc/18/89/63/408188963.db2.gz JKQNYAWVAGXJSN-STQMWFEESA-N 0 1 323.462 1.916 10 0 DDAEMN C[C@@H](NC(=O)CN[C@@H](C)c1cccs1)C(=O)N1CCCCC1 ZINC000182542961 408189979 /nfs/dbraw/zinc/18/99/79/408189979.db2.gz JKQNYAWVAGXJSN-QWHCGFSZSA-N 0 1 323.462 1.916 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c(F)cc1F ZINC000175794176 408206616 /nfs/dbraw/zinc/20/66/16/408206616.db2.gz SKMUFFTXCCHGCJ-SNVBAGLBSA-N 0 1 304.362 1.598 10 0 DDAEMN C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176195887 408307565 /nfs/dbraw/zinc/30/75/65/408307565.db2.gz GZOJSHSRDASFHU-AXFHLTTASA-N 0 1 323.397 1.675 10 0 DDAEMN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]c2ccccc2c1=O ZINC000176293045 408334983 /nfs/dbraw/zinc/33/49/83/408334983.db2.gz QFCOBJZKMLERQG-CQSZACIVSA-N 0 1 323.356 1.693 10 0 DDAEMN CCc1noc([C@H](C)N2CCN(CCCn3ccnc3)CC2)n1 ZINC000183175714 408344828 /nfs/dbraw/zinc/34/48/28/408344828.db2.gz HDGMZUKZDJINIH-AWEZNQCLSA-N 0 1 318.425 1.597 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)noc2C)CCN1C[C@@H](C)O ZINC000246848527 408353530 /nfs/dbraw/zinc/35/35/30/408353530.db2.gz MVMBFHSXUFLDHN-LALPHHSUSA-N 0 1 323.437 1.699 10 0 DDAEMN C[C@@H](NC(=O)c1ccc(CN)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000176446063 408369448 /nfs/dbraw/zinc/36/94/48/408369448.db2.gz QWLSTQGUEGNLMH-SNVBAGLBSA-N 0 1 322.386 1.633 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)n[nH]1 ZINC000173533075 162347867 /nfs/dbraw/zinc/34/78/67/162347867.db2.gz CXKOLWICADRFIN-ZDUSSCGKSA-N 0 1 320.780 1.909 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3noc(C(C)(C)C)n3)CCO2)n[nH]1 ZINC000173660909 162352721 /nfs/dbraw/zinc/35/27/21/162352721.db2.gz ZWXPJMSVVCKTBB-JTQLQIEISA-N 0 1 306.370 1.367 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000246998811 408383908 /nfs/dbraw/zinc/38/39/08/408383908.db2.gz BJDCOKZIGIMKRU-DLBZAZTESA-N 0 1 322.449 1.387 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2nc(-c3ccsc3)no2)C[C@@H]1C ZINC000247101230 408410310 /nfs/dbraw/zinc/41/03/10/408410310.db2.gz IEFIZUXGZAFLBV-RYUDHWBXSA-N 0 1 322.434 1.685 10 0 DDAEMN COC(=O)c1cc(F)ccc1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247123407 408412881 /nfs/dbraw/zinc/41/28/81/408412881.db2.gz JVBLKZYBTHZLFX-OLZOCXBDSA-N 0 1 324.396 1.499 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2ccccc2)CCN1C[C@H](C)O ZINC000247530133 408489078 /nfs/dbraw/zinc/48/90/78/408489078.db2.gz ODVDRHHRXMQWBS-DOTOQJQBSA-N 0 1 319.449 1.716 10 0 DDAEMN CC[C@H]1CN(c2nc(CCOC)ns2)CCN1C[C@@H](C)O ZINC000176921918 408474700 /nfs/dbraw/zinc/47/47/00/408474700.db2.gz GPWFYKLUQMIEBP-NEPJUHHUSA-N 0 1 314.455 1.008 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(OC)cs3)CCO2)n[nH]1 ZINC000176923802 408476674 /nfs/dbraw/zinc/47/66/74/408476674.db2.gz KEJMPMCFOVHATA-SNVBAGLBSA-N 0 1 322.390 1.651 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)C(=O)CCc2nc[nH]n2)C12CCCC2 ZINC000177226415 408558348 /nfs/dbraw/zinc/55/83/48/408558348.db2.gz KMCSEQOTVSXAPL-QWHCGFSZSA-N 0 1 306.410 1.934 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccc(C=O)cc2)C1 ZINC000161414969 408600191 /nfs/dbraw/zinc/60/01/91/408600191.db2.gz KTUBJPPLMOQYOT-CJNGLKHVSA-N 0 1 304.390 1.723 10 0 DDAEMN Cc1ccc(CS(=O)(=O)N2CCN3CCC[C@H]3C2)c(F)c1 ZINC000248656802 408611610 /nfs/dbraw/zinc/61/16/10/408611610.db2.gz DZBQAMGWVSGDSF-AWEZNQCLSA-N 0 1 312.410 1.744 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248892602 408656749 /nfs/dbraw/zinc/65/67/49/408656749.db2.gz SLDVUNJQQHDXAW-ZNMIVQPWSA-N 0 1 312.454 1.759 10 0 DDAEMN CCc1cc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000249738852 408760516 /nfs/dbraw/zinc/76/05/16/408760516.db2.gz HGXCHYAAAQRJGU-SWHYSGLUSA-N 0 1 305.378 1.918 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000194148185 408768935 /nfs/dbraw/zinc/76/89/35/408768935.db2.gz COCOQNIFVMSTMS-CYBMUJFWSA-N 0 1 309.797 1.879 10 0 DDAEMN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000189325491 163094951 /nfs/dbraw/zinc/09/49/51/163094951.db2.gz FDQGJKCZAZAPBB-CBAPKCEASA-N 0 1 308.325 1.523 10 0 DDAEMN C[C@H]1OCCC[C@@H]1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000190352110 163137858 /nfs/dbraw/zinc/13/78/58/163137858.db2.gz AITLAETUEMGBRM-CABCVRRESA-N 0 1 311.470 1.334 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000263261396 163940481 /nfs/dbraw/zinc/94/04/81/163940481.db2.gz SPUUKAHZRXQJIY-DTWKUNHWSA-N 0 1 312.320 1.582 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1C[C@@H](OC)C[C@@H]1CO ZINC000309883896 164004911 /nfs/dbraw/zinc/00/49/11/164004911.db2.gz YAIPHUVJPOZFCL-CVEARBPZSA-N 0 1 306.406 1.117 10 0 DDAEMN Cc1cc(C(=O)CN2CCO[C@H](CN(C)C)C2)c(C)n1C1CC1 ZINC000133144529 196314921 /nfs/dbraw/zinc/31/49/21/196314921.db2.gz LTHSUVUCAZNTHR-MRXNPFEDSA-N 0 1 319.449 1.885 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2cccc(O)c2)CC1 ZINC000492521973 420582135 /nfs/dbraw/zinc/58/21/35/420582135.db2.gz NSKUEIMVKSLIBA-IDTUSYRASA-N 0 1 304.390 1.321 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000634851185 422684525 /nfs/dbraw/zinc/68/45/25/422684525.db2.gz XHYIKBYPUWYEAM-SLBVQIDZSA-N 0 1 316.401 1.591 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)COCC2CC2)C1 ZINC000345495504 272264669 /nfs/dbraw/zinc/26/46/69/272264669.db2.gz ZYJFCMYIHIDDIG-OLZOCXBDSA-N 0 1 320.393 1.397 10 0 DDAEMN C[C@H](C(=O)N1CCC(C)CC1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247073353 278136323 /nfs/dbraw/zinc/13/63/23/278136323.db2.gz GQSFORPLYCUPPA-OWCLPIDISA-N 0 1 311.470 1.020 10 0 DDAEMN CCO[C@@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C12CCOCC2 ZINC000186460313 279844408 /nfs/dbraw/zinc/84/44/08/279844408.db2.gz JMFMJZRXINOJDX-JKSUJKDBSA-N 0 1 324.465 1.809 10 0 DDAEMN CC(C)[C@@H]1N(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@@]12CCCO2 ZINC000329448735 280056054 /nfs/dbraw/zinc/05/60/54/280056054.db2.gz LNYVFOYHVABZSG-WPGHFRTFSA-N 0 1 304.394 1.326 10 0 DDAEMN CC(C)[C@@H]1N(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@@]12CCCO2 ZINC000329448735 280056058 /nfs/dbraw/zinc/05/60/58/280056058.db2.gz LNYVFOYHVABZSG-WPGHFRTFSA-N 0 1 304.394 1.326 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cnc(C(=O)[O-])cn1 ZINC000263533889 288216843 /nfs/dbraw/zinc/21/68/43/288216843.db2.gz YCUDQUPDCWZHLC-CYBMUJFWSA-N 0 1 312.373 1.886 10 0 DDAEMN CSc1ccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000105933060 281051436 /nfs/dbraw/zinc/05/14/36/281051436.db2.gz SGBVMRWUXCSDOV-OCCSQVGLSA-N 0 1 323.462 1.656 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000172355028 298246426 /nfs/dbraw/zinc/24/64/26/298246426.db2.gz MTJCWUWAUYPUJI-CYBMUJFWSA-N 0 1 310.394 1.263 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cnccc3N(C)C)CCO2)no1 ZINC000363912769 300325255 /nfs/dbraw/zinc/32/52/55/300325255.db2.gz TYJJGDVYGZAEBB-ZDUSSCGKSA-N 0 1 317.349 1.053 10 0 DDAEMN C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)c2ccccc21 ZINC000237433796 484195224 /nfs/dbraw/zinc/19/52/24/484195224.db2.gz DSUVQGRXYGIQME-BYCMXARLSA-N 0 1 324.446 1.503 10 0 DDAEMN CC[C@H](NCC(=O)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181555074 697462205 /nfs/dbraw/zinc/46/22/05/697462205.db2.gz GIBUWYQUXIIAEP-DOMZBBRYSA-N 0 1 321.377 1.883 10 0 DDAEMN CC(C)(C)OC(=O)N1CC(C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000182370872 697474354 /nfs/dbraw/zinc/47/43/54/697474354.db2.gz OYMJZYDPNODPGX-CQSZACIVSA-N 0 1 323.437 1.550 10 0 DDAEMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000192194541 697622377 /nfs/dbraw/zinc/62/23/77/697622377.db2.gz LCWCNHPTEGUALV-MGPQQGTHSA-N 0 1 310.394 1.442 10 0 DDAEMN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3CN4CCC3CC4)c12 ZINC000222535980 697757117 /nfs/dbraw/zinc/75/71/17/697757117.db2.gz GAYAJGARBUNSSM-CQSZACIVSA-N 0 1 313.405 1.409 10 0 DDAEMN COc1ccc(OC)c(NC(=O)N[C@H]2CN3CCC2CC3)c1 ZINC000222586290 697758001 /nfs/dbraw/zinc/75/80/01/697758001.db2.gz CPFJLOKSJUUKGP-AWEZNQCLSA-N 0 1 305.378 1.920 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@@H](O)c2ccccc2F)C[C@H]1C ZINC000247112715 698361845 /nfs/dbraw/zinc/36/18/45/698361845.db2.gz IZZUEOOWYCOFGH-RHSMWYFYSA-N 0 1 310.413 1.902 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)c2ccccc2F)C[C@H]1C ZINC000247112715 698361851 /nfs/dbraw/zinc/36/18/51/698361851.db2.gz IZZUEOOWYCOFGH-RHSMWYFYSA-N 0 1 310.413 1.902 10 0 DDAEMN Cc1nc(N)sc1-c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000252551013 698402742 /nfs/dbraw/zinc/40/27/42/698402742.db2.gz PJNSEGPDWGWVPW-DTWKUNHWSA-N 0 1 307.379 1.619 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2ncc(Cl)cc2F)CCO1 ZINC000262092378 698454010 /nfs/dbraw/zinc/45/40/10/698454010.db2.gz HHGDOQDNQRZYEG-JTQLQIEISA-N 0 1 317.748 1.096 10 0 DDAEMN C[C@@H]1C[C@H](C)[C@@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000263464078 698508347 /nfs/dbraw/zinc/50/83/47/698508347.db2.gz WGLJEQKFCXQCHC-WKCYITODSA-N 0 1 324.421 1.244 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@H](C)c2ccco2)C1 ZINC000263510131 698510935 /nfs/dbraw/zinc/51/09/35/698510935.db2.gz YNNGWAZFOHSVKG-PNESKVBLSA-N 0 1 323.393 1.920 10 0 DDAEMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])on1 ZINC000309896793 698668971 /nfs/dbraw/zinc/66/89/71/698668971.db2.gz NWWPFHMEFMFBDG-LLVKDONJSA-N 0 1 317.345 1.623 10 0 DDAEMN O=C(CC(F)(F)C(F)(F)F)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000713191932 699265240 /nfs/dbraw/zinc/26/52/40/699265240.db2.gz CFPUWYKCMKSDLY-YUMQZZPRSA-N 0 1 302.243 1.163 10 0 DDAEMN Cn1cc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(Br)n1 ZINC000714081028 699269420 /nfs/dbraw/zinc/26/94/20/699269420.db2.gz HPPCFHFDVARGDE-JBLDHEPKSA-N 0 1 314.227 1.775 10 0 DDAEMN O=C(c1coc(Br)c1)N1CCC[C@@H]1c1nn[n-]n1 ZINC000720648451 699307280 /nfs/dbraw/zinc/30/72/80/699307280.db2.gz OITJZCGXVHLEPR-SSDOTTSWSA-N 0 1 312.127 1.533 10 0 DDAEMN O=C(c1coc(Br)c1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720648451 699307283 /nfs/dbraw/zinc/30/72/83/699307283.db2.gz OITJZCGXVHLEPR-SSDOTTSWSA-N 0 1 312.127 1.533 10 0 DDAEMN CC(C)n1nccc1CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886088495 708696182 /nfs/dbraw/zinc/69/61/82/708696182.db2.gz HRNFMQIQSLTWSM-INIZCTEOSA-N 0 1 318.425 1.162 10 0 DDAEMN c1cc([C@H]2OCC[C@@H]2NCc2cnnn2Cc2ccccc2)n[nH]1 ZINC000888077108 709209752 /nfs/dbraw/zinc/20/97/52/709209752.db2.gz KFZUXZOWYDUZST-RDJZCZTQSA-N 0 1 324.388 1.669 10 0 DDAEMN CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000888079264 709210596 /nfs/dbraw/zinc/21/05/96/709210596.db2.gz PSECNACKUNHGAZ-GHMZBOCLSA-N 0 1 304.398 1.787 10 0 DDAEMN CCN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)c1ccccc1 ZINC000900397266 709576951 /nfs/dbraw/zinc/57/69/51/709576951.db2.gz YHKRYAXQUPLMPG-ZDUSSCGKSA-N 0 1 300.366 1.390 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCCCOC)CCN1C[C@H](C)O ZINC000248459633 282085509 /nfs/dbraw/zinc/08/55/09/282085509.db2.gz RNXDKESUIWQKKT-LSDHHAIUSA-N 0 1 315.458 1.290 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(C(C)C)CC2)CCN1C[C@H](C)O ZINC000248496025 282087715 /nfs/dbraw/zinc/08/77/15/282087715.db2.gz QPVHPOOYNYCEDM-LSDHHAIUSA-N 0 1 311.470 1.909 10 0 DDAEMN C[C@@H](C(=O)c1ccc(F)cc1)[S@@](=O)CCS(C)(=O)=O ZINC000081910270 192339032 /nfs/dbraw/zinc/33/90/32/192339032.db2.gz KBQYLQRKIPVMSV-NIVTXAMTSA-N 0 1 306.380 1.190 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cnn3ccncc23)n[nH]1 ZINC000328700149 231313570 /nfs/dbraw/zinc/31/35/70/231313570.db2.gz VYYLPHWUZXDJEP-GFCCVEGCSA-N 0 1 311.349 1.523 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000081977065 192347702 /nfs/dbraw/zinc/34/77/02/192347702.db2.gz HGOZYDLJIQPABN-CABCVRRESA-N 0 1 313.419 1.689 10 0 DDAEMN C[C@@H](Oc1nc(NN)ncc1Br)C(F)(F)F ZINC000087891668 185234968 /nfs/dbraw/zinc/23/49/68/185234968.db2.gz UVQQYAOJGWLQFL-GSVOUGTGSA-N 0 1 301.066 1.854 10 0 DDAEMN CCN(CC(C)C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895271 185235411 /nfs/dbraw/zinc/23/54/11/185235411.db2.gz MTDVBWJATHRRPG-UHFFFAOYSA-N 0 1 316.427 1.299 10 0 DDAEMN CC1(C)C[NH2+]CCN1CC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000088147028 185240673 /nfs/dbraw/zinc/24/06/73/185240673.db2.gz VLCOWHDTEUCIHL-UHFFFAOYSA-N 0 1 309.797 1.280 10 0 DDAEMN COCCNCc1c(C)nn(C)c1N(C)CCC(F)(F)F ZINC000088432305 185249757 /nfs/dbraw/zinc/24/97/57/185249757.db2.gz YVZFCASUTAXYHE-UHFFFAOYSA-N 0 1 308.348 1.853 10 0 DDAEMN Nc1c2cccnc2sc1C(=O)N[C@H]1CN2CCC1CC2 ZINC000088639555 185260571 /nfs/dbraw/zinc/26/05/71/185260571.db2.gz XOPSVZVNSIWQRS-NSHDSACASA-N 0 1 302.403 1.703 10 0 DDAEMN COc1ccc(C[C@@H](C)N[C@@H]2C=CS(=O)(=O)C2)cc1OC ZINC000088853987 185267312 /nfs/dbraw/zinc/26/73/12/185267312.db2.gz ZAODRNBWVBUNKJ-DGCLKSJQSA-N 0 1 311.403 1.535 10 0 DDAEMN Cc1sc(CO)cc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000088876112 185267904 /nfs/dbraw/zinc/26/79/04/185267904.db2.gz RKRLMMBUCWJPPP-UHFFFAOYSA-N 0 1 318.464 1.264 10 0 DDAEMN CCN[C@H]1c2ccccc2C[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081990545 192350849 /nfs/dbraw/zinc/35/08/49/192350849.db2.gz RZSNICJVIHPTFG-CVEARBPZSA-N 0 1 309.431 1.856 10 0 DDAEMN COCCC[S@](=O)C[C@H](N)c1cc(OC)ccc1OC ZINC000081998901 192353021 /nfs/dbraw/zinc/35/30/21/192353021.db2.gz XYVCOJVSRYMLEV-RNODOKPDSA-N 0 1 301.408 1.489 10 0 DDAEMN CCC[N@@H+](CCCOCC(F)(F)F)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090530175 185300624 /nfs/dbraw/zinc/30/06/24/185300624.db2.gz DFPNIFKWPYNFGT-WDEREUQCSA-N 0 1 313.316 1.767 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(CO)ccc1F ZINC000092678242 185333326 /nfs/dbraw/zinc/33/33/26/185333326.db2.gz OVSWEKCGJQTVTA-LBPRGKRZSA-N 0 1 316.398 1.033 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1CO ZINC000092678376 185333393 /nfs/dbraw/zinc/33/33/93/185333393.db2.gz JCPQCNXPLIJYBJ-AWEZNQCLSA-N 0 1 312.435 1.284 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(CO)ccc1F ZINC000092678241 185333612 /nfs/dbraw/zinc/33/36/12/185333612.db2.gz OVSWEKCGJQTVTA-GFCCVEGCSA-N 0 1 316.398 1.033 10 0 DDAEMN COc1ccc(Cl)c(NC(=O)[C@H]2Cc3nc[nH]c3CN2)c1 ZINC000092781868 185340101 /nfs/dbraw/zinc/34/01/01/185340101.db2.gz RTJYGJDXKSQZLR-GFCCVEGCSA-N 0 1 306.753 1.725 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)c(N)c2)n[nH]1 ZINC000080511141 192163716 /nfs/dbraw/zinc/16/37/16/192163716.db2.gz SZNGZEFBJRTKSG-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN Nc1cc(C(=O)NCCc2nc[nH]n2)cc(Cl)c1Cl ZINC000080539811 192165735 /nfs/dbraw/zinc/16/57/35/192165735.db2.gz YLCZXTXPYCESRO-UHFFFAOYSA-N 0 1 300.149 1.666 10 0 DDAEMN NCc1nccn1Cc1ccc(I)cc1 ZINC000083850260 192386654 /nfs/dbraw/zinc/38/66/54/192386654.db2.gz QFEOMQKCUGTYSZ-UHFFFAOYSA-N 0 1 313.142 1.995 10 0 DDAEMN Cc1cccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1C ZINC000262884171 186318692 /nfs/dbraw/zinc/31/86/92/186318692.db2.gz FVDOAKXCUMQEIZ-AWEZNQCLSA-N 0 1 320.389 1.161 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000174086030 198288747 /nfs/dbraw/zinc/28/87/47/198288747.db2.gz YCBJNJWBRIXPHH-WFASDCNBSA-N 0 1 314.376 1.387 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH]1 ZINC000174408470 198331904 /nfs/dbraw/zinc/33/19/04/198331904.db2.gz UYZFOGNFBDKDQW-VHSXEESVSA-N 0 1 309.370 1.745 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)n[nH]1 ZINC000328637940 354556419 /nfs/dbraw/zinc/55/64/19/354556419.db2.gz WDBPLYXBZVQBOF-CQSZACIVSA-N 0 1 316.409 1.225 10 0 DDAEMN CN1CCN(C(=O)c2cccc3c[nH]nc32)C[C@H]1c1ncc[nH]1 ZINC000328618901 354547326 /nfs/dbraw/zinc/54/73/26/354547326.db2.gz FDRGQWCHRSGARB-ZDUSSCGKSA-N 0 1 310.361 1.415 10 0 DDAEMN CCOc1cc(C)c(S(=O)(=O)NCCN(C)C)cc1Cl ZINC000074935208 191389361 /nfs/dbraw/zinc/38/93/61/191389361.db2.gz QYZPBBPHAOLTLF-UHFFFAOYSA-N 0 1 320.842 1.887 10 0 DDAEMN COC[C@H]1CCN(CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000081065051 192222888 /nfs/dbraw/zinc/22/28/88/192222888.db2.gz DYGNOHGJVUPOGB-NSHDSACASA-N 0 1 307.419 1.228 10 0 DDAEMN NCc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)cs1 ZINC000081542715 192287325 /nfs/dbraw/zinc/28/73/25/192287325.db2.gz HUDNFNYZAKVGMZ-UHFFFAOYSA-N 0 1 318.328 1.228 10 0 DDAEMN CCCS(=O)(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000081569747 192292768 /nfs/dbraw/zinc/29/27/68/192292768.db2.gz BIYVALKFEZEXLF-UHFFFAOYSA-N 0 1 313.347 1.835 10 0 DDAEMN COC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000188151181 200200974 /nfs/dbraw/zinc/20/09/74/200200974.db2.gz VNVQNYVRJBVZGO-BHYGNILZSA-N 0 1 320.433 1.422 10 0 DDAEMN C[C@H](C(=O)Nc1cc(Cl)ccc1N)N(C)CC1CC(O)C1 ZINC000091451299 193058834 /nfs/dbraw/zinc/05/88/34/193058834.db2.gz PSEUFBGCVWHOAP-GRZMOONWSA-N 0 1 311.813 1.952 10 0 DDAEMN CCC(CC)NC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091478146 193062670 /nfs/dbraw/zinc/06/26/70/193062670.db2.gz GMYNAAORBPISNX-UHFFFAOYSA-N 0 1 317.524 1.775 10 0 DDAEMN O=C([O-])c1cc(Cl)nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091672547 193089637 /nfs/dbraw/zinc/08/96/37/193089637.db2.gz UQLXTPFADNGXTO-MNOVXSKESA-N 0 1 311.769 1.708 10 0 DDAEMN C[C@H](C[NH3+])c1nc([O-])c(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000093163885 193209981 /nfs/dbraw/zinc/20/99/81/193209981.db2.gz TZDUOWFHMGJYHB-SSDOTTSWSA-N 0 1 324.178 1.967 10 0 DDAEMN O=C(C[C@H]1COCCN1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000262557106 203328268 /nfs/dbraw/zinc/32/82/68/203328268.db2.gz PSUBKCRZHWDSQQ-STQMWFEESA-N 0 1 316.323 1.655 10 0 DDAEMN CN(CCc1cccs1)S(=O)(=O)c1ccnc(NN)c1 ZINC000093292118 193225478 /nfs/dbraw/zinc/22/54/78/193225478.db2.gz CRJDCRKINUAOFX-UHFFFAOYSA-N 0 1 312.420 1.292 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000093648752 193285152 /nfs/dbraw/zinc/28/51/52/193285152.db2.gz FLPVFYARSVQLMG-AWEZNQCLSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)NC[C@@H]2CCCCN2C)c1 ZINC000094358596 193364398 /nfs/dbraw/zinc/36/43/98/193364398.db2.gz GOABOFDQRNYWEM-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnccc1Cl ZINC000094459471 193372105 /nfs/dbraw/zinc/37/21/05/193372105.db2.gz YVTXNBKXXAHDQR-GHMZBOCLSA-N 0 1 315.826 1.592 10 0 DDAEMN NCc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)o1 ZINC000094568306 193380740 /nfs/dbraw/zinc/38/07/40/193380740.db2.gz PKEUTPYOFPQCRV-AAEUAGOBSA-N 0 1 310.419 1.865 10 0 DDAEMN COC(=O)CCN(CC(F)(F)F)C(=O)c1ccc(CN)o1 ZINC000094568579 193381098 /nfs/dbraw/zinc/38/10/98/193381098.db2.gz QSHBLJLUFWKEIS-UHFFFAOYSA-N 0 1 308.256 1.306 10 0 DDAEMN CCc1nn(C)c(CNCC2(C)COC2)c1Br ZINC000094722060 193393588 /nfs/dbraw/zinc/39/35/88/193393588.db2.gz ZGFARIXGCHBGJQ-UHFFFAOYSA-N 0 1 302.216 1.871 10 0 DDAEMN COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)c1ccc(OC)cc1 ZINC000015707114 284192817 /nfs/dbraw/zinc/19/28/17/284192817.db2.gz ASFHOTMVEIXNHN-AWEZNQCLSA-N 0 1 315.329 1.158 10 0 DDAEMN CC(C)(C)NC(=O)CCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000020618510 182239666 /nfs/dbraw/zinc/23/96/66/182239666.db2.gz CDDKEBZJAZOOIW-UHFFFAOYSA-N 0 1 309.391 1.703 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(c2cnc3c(n2)CCCC3)C1 ZINC000333520463 249009701 /nfs/dbraw/zinc/00/97/01/249009701.db2.gz KNMHGZLYCZUHEF-RISCZKNCSA-N 0 1 314.393 1.748 10 0 DDAEMN Cc1cc(C)c(C(N)=S)c(NC2CCS(=O)(=O)CC2)n1 ZINC000040514872 183088705 /nfs/dbraw/zinc/08/87/05/183088705.db2.gz VCEXVXLYJVQLCZ-UHFFFAOYSA-N 0 1 313.448 1.322 10 0 DDAEMN CC(=O)NCCC(=O)NC[C@@H](c1cccc(Cl)c1)N(C)C ZINC000041310326 183185340 /nfs/dbraw/zinc/18/53/40/183185340.db2.gz PZTLEXJUNJHLQT-AWEZNQCLSA-N 0 1 311.813 1.585 10 0 DDAEMN CC(C)C[C@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682560 183216852 /nfs/dbraw/zinc/21/68/52/183216852.db2.gz VOYAILJQEYMGRZ-ZDUSSCGKSA-N 0 1 301.431 1.905 10 0 DDAEMN CC(C)(N)c1noc(Cn2cc(Br)ccc2=O)n1 ZINC000043403870 183359267 /nfs/dbraw/zinc/35/92/67/183359267.db2.gz ZNPPTMOSJWDEFO-UHFFFAOYSA-N 0 1 313.155 1.236 10 0 DDAEMN COC(=O)C1CCN(Cc2nc3ccc(OC)cc3[nH]2)CC1 ZINC000043258640 183348235 /nfs/dbraw/zinc/34/82/35/183348235.db2.gz APVWVBBTCNIYEH-UHFFFAOYSA-N 0 1 303.362 1.957 10 0 DDAEMN CCn1cnnc1C1CCN(CCn2c(C)csc2=O)CC1 ZINC000105929680 194172123 /nfs/dbraw/zinc/17/21/23/194172123.db2.gz NMFWQSCIFSFKOM-UHFFFAOYSA-N 0 1 321.450 1.709 10 0 DDAEMN Cc1ccc(C(=O)CCN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000159341090 197346851 /nfs/dbraw/zinc/34/68/51/197346851.db2.gz AUDYHIDBVYNRBW-HZPDHXFCSA-N 0 1 304.434 1.955 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878129 194366287 /nfs/dbraw/zinc/36/62/87/194366287.db2.gz FBZUHJNUTOKEJI-OLZOCXBDSA-N 0 1 309.435 1.917 10 0 DDAEMN CN(CC(=O)[N-]C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931912 194371186 /nfs/dbraw/zinc/37/11/86/194371186.db2.gz UJJVASFDFSWMHQ-CYBMUJFWSA-N 0 1 309.797 1.280 10 0 DDAEMN CCCN[C@H](CS(C)(=O)=O)c1ccc(OC)cc1OC ZINC000054930503 183955137 /nfs/dbraw/zinc/95/51/37/183955137.db2.gz INFXXXGULFFCPK-CYBMUJFWSA-N 0 1 301.408 1.789 10 0 DDAEMN O=C([O-])C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000061125998 184162747 /nfs/dbraw/zinc/16/27/47/184162747.db2.gz AZOHIBKIHAWGLN-UHFFFAOYSA-N 0 1 312.753 1.278 10 0 DDAEMN Cc1ccc2[nH]c(S[C@@H](C)C(=O)N3CCNCC3)nc2c1 ZINC000061440719 184171012 /nfs/dbraw/zinc/17/10/12/184171012.db2.gz VVYBJEMFHPMSSJ-NSHDSACASA-N 0 1 304.419 1.784 10 0 DDAEMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1c(N)cccc1F ZINC000061642665 184180109 /nfs/dbraw/zinc/18/01/09/184180109.db2.gz ZZPBSIVVHHOGPN-JTQLQIEISA-N 0 1 301.387 1.123 10 0 DDAEMN CCOc1ccc(N)cc1S(=O)(=O)NCCN(C)C1CC1 ZINC000062010808 184201244 /nfs/dbraw/zinc/20/12/44/184201244.db2.gz MKYOLEPRLNWLKC-UHFFFAOYSA-N 0 1 313.423 1.040 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(N)c(F)cc2Cl)C1 ZINC000062965423 184262784 /nfs/dbraw/zinc/26/27/84/184262784.db2.gz KQBSTDSPBNFALQ-MRVPVSSYSA-N 0 1 321.805 1.386 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(N)ccc2Cl)C1 ZINC000062965265 184262907 /nfs/dbraw/zinc/26/29/07/184262907.db2.gz SADUYINMTVDKNT-SNVBAGLBSA-N 0 1 303.815 1.247 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000118856437 194937196 /nfs/dbraw/zinc/93/71/96/194937196.db2.gz OHACECQKJBFWNV-CVEARBPZSA-N 0 1 311.470 1.166 10 0 DDAEMN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NC1CC1 ZINC000157748404 197213106 /nfs/dbraw/zinc/21/31/06/197213106.db2.gz MUUDNZMOZDHUQG-GHMZBOCLSA-N 0 1 310.419 1.408 10 0 DDAEMN COCCOc1cccc(CN2CCN(CCOC)[C@@H](C)C2)c1 ZINC000120790750 195238530 /nfs/dbraw/zinc/23/85/30/195238530.db2.gz KUQVMFUAEPFXSZ-INIZCTEOSA-N 0 1 322.449 1.864 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccco2)C1)N1CCCO1 ZINC000247799738 257116801 /nfs/dbraw/zinc/11/68/01/257116801.db2.gz ULHDQOKVJDCEPB-SNPRPXQTSA-N 0 1 306.362 1.423 10 0 DDAEMN O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(Cc1nccs1)C2 ZINC000247516316 257119252 /nfs/dbraw/zinc/11/92/52/257119252.db2.gz VROIUIROMMKQSD-BBRMVZONSA-N 0 1 321.446 1.650 10 0 DDAEMN Fc1ccc(CN2C[C@H](N3CCOCC3)[C@H]3OCCC[C@H]32)cc1 ZINC000503716872 257209628 /nfs/dbraw/zinc/20/96/28/257209628.db2.gz JATZKSZCKPKRBF-SQNIBIBYSA-N 0 1 320.408 1.890 10 0 DDAEMN O=C1CSC2(CCN(C[C@H]3COc4ccccc4O3)CC2)N1 ZINC000003643980 406720280 /nfs/dbraw/zinc/72/02/80/406720280.db2.gz ZOSVJIBPKHDKBK-LBPRGKRZSA-N 0 1 320.414 1.482 10 0 DDAEMN COc1ccc(Br)cc1CN[C@@H]1CCCNC1=O ZINC000050394834 407130482 /nfs/dbraw/zinc/13/04/82/407130482.db2.gz VYACBPJPUSJBIZ-LLVKDONJSA-N 0 1 313.195 1.826 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)cn3)CCO2)n[nH]1 ZINC000123287250 407325308 /nfs/dbraw/zinc/32/53/08/407325308.db2.gz OXGNCUSQWXVVHZ-SNVBAGLBSA-N 0 1 320.328 1.507 10 0 DDAEMN CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CS(=O)(=O)c1ccccc1)C2 ZINC000100243857 407307698 /nfs/dbraw/zinc/30/76/98/407307698.db2.gz YFWQISPPCPCIPW-BTTYYORXSA-N 0 1 322.430 1.202 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)n[nH]1 ZINC000124629228 407364219 /nfs/dbraw/zinc/36/42/19/407364219.db2.gz XQBKRHWXIDORFO-YPMHNXCESA-N 0 1 316.409 1.582 10 0 DDAEMN O=C(c1cc(C2CC2)[nH]n1)N1CCCN(c2cccnn2)CC1 ZINC000171554881 407704912 /nfs/dbraw/zinc/70/49/12/407704912.db2.gz CCDGUCAQKVBJHC-UHFFFAOYSA-N 0 1 312.377 1.430 10 0 DDAEMN CCC[C@@H](C(=O)N1CC[S@@](=O)C(CC)(CC)C1)N(C)C ZINC000186784366 407770913 /nfs/dbraw/zinc/77/09/13/407770913.db2.gz FWJRKWDVPZNPIZ-RNODOKPDSA-N 0 1 302.484 1.866 10 0 DDAEMN CCc1cc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n[nH]1 ZINC000116774574 407773256 /nfs/dbraw/zinc/77/32/56/407773256.db2.gz QZRZBWDNIFQMNC-ZDUSSCGKSA-N 0 1 316.409 1.733 10 0 DDAEMN CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](N)COC ZINC000262251541 407775032 /nfs/dbraw/zinc/77/50/32/407775032.db2.gz SQJZWMOIRSVDPB-QWHCGFSZSA-N 0 1 308.378 1.039 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000262287251 407784589 /nfs/dbraw/zinc/78/45/89/407784589.db2.gz MMTTUNGEAYDFGA-OAHLLOKOSA-N 0 1 322.405 1.713 10 0 DDAEMN C[C@@H](NC(=O)C[C@@H]1COCCN1)c1cccc(-n2ccnc2)c1 ZINC000262304645 407790990 /nfs/dbraw/zinc/79/09/90/407790990.db2.gz CCLRFGTWPCGKBJ-UKRRQHHQSA-N 0 1 314.389 1.428 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCn2ccnc2)C[C@H]1CC ZINC000117021879 407806346 /nfs/dbraw/zinc/80/63/46/407806346.db2.gz JJSVFHOEVBXKSG-OAHLLOKOSA-N 0 1 323.441 1.025 10 0 DDAEMN C[C@@H]1CC[C@H](NC(=O)[C@H](N)CCS(C)(=O)=O)c2ccccc21 ZINC000262520133 407856196 /nfs/dbraw/zinc/85/61/96/407856196.db2.gz DSUVQGRXYGIQME-DFBGVHRSSA-N 0 1 324.446 1.503 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173520838 407885328 /nfs/dbraw/zinc/88/53/28/407885328.db2.gz USXNLAZIQNDMSY-SECBINFHSA-N 0 1 324.772 1.022 10 0 DDAEMN Cc1cnn([C@@H]2CCC[N@@H+](CCCNC(=O)C(F)(F)F)C2)c1 ZINC000180622599 407904490 /nfs/dbraw/zinc/90/44/90/407904490.db2.gz IJIJZNOTNBCAKY-GFCCVEGCSA-N 0 1 318.343 1.897 10 0 DDAEMN Cc1cnn([C@@H]2CCC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)c1 ZINC000180622599 407904499 /nfs/dbraw/zinc/90/44/99/407904499.db2.gz IJIJZNOTNBCAKY-GFCCVEGCSA-N 0 1 318.343 1.897 10 0 DDAEMN Cc1cnn([C@@H]2CCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C2)c1 ZINC000180622599 407904507 /nfs/dbraw/zinc/90/45/07/407904507.db2.gz IJIJZNOTNBCAKY-GFCCVEGCSA-N 0 1 318.343 1.897 10 0 DDAEMN N[C@@H](C(=O)NC[C@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000262712779 407906272 /nfs/dbraw/zinc/90/62/72/407906272.db2.gz RWYZIPVMRHFQIS-GDBMZVCRSA-N 0 1 311.389 1.262 10 0 DDAEMN CC[C@H]1CN(C(=O)CCc2ccsc2)CCN1C[C@@H](C)O ZINC000174605284 407967137 /nfs/dbraw/zinc/96/71/37/407967137.db2.gz OLWPHZXQZONCNO-HIFRSBDPSA-N 0 1 310.463 1.984 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000119275997 408029776 /nfs/dbraw/zinc/02/97/76/408029776.db2.gz FSNRAHYVHIJXHQ-FUHWJXTLSA-N 0 1 320.433 1.065 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCCC(C)(C)C)CCO1 ZINC000263011899 408001994 /nfs/dbraw/zinc/00/19/94/408001994.db2.gz YTFCUGGKQDRMQF-CYBMUJFWSA-N 0 1 314.426 1.447 10 0 DDAEMN CC[C@@H]1CN(Cc2nc([C@@H](C)OC)no2)CCN1C[C@@H](C)O ZINC000175189165 408073282 /nfs/dbraw/zinc/07/32/82/408073282.db2.gz PZVUARVWPLVTQB-JHJVBQTASA-N 0 1 312.414 1.054 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC(C)(C)C(C)C)C1 ZINC000263457445 408144433 /nfs/dbraw/zinc/14/44/33/408144433.db2.gz HTOPGJMJAVNVLG-UHFFFAOYSA-N 0 1 313.442 1.905 10 0 DDAEMN CCO[C@H]1C[C@@H](N(C)CC(=O)N2CCNC2=O)C12CCCC2 ZINC000121216382 408164236 /nfs/dbraw/zinc/16/42/36/408164236.db2.gz PVIOAKDVGBMFEQ-OLZOCXBDSA-N 0 1 309.410 1.208 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc(OC)c(O)c2)C1 ZINC000263528311 408165317 /nfs/dbraw/zinc/16/53/17/408165317.db2.gz VDZPIYZSHCZKQZ-UHFFFAOYSA-N 0 1 308.378 1.428 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(OC(C)C)ncn2)C1 ZINC000263557172 408173715 /nfs/dbraw/zinc/17/37/15/408173715.db2.gz PCNYVJOBHYJZEY-UHFFFAOYSA-N 0 1 308.382 1.613 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000246200871 408175515 /nfs/dbraw/zinc/17/55/15/408175515.db2.gz XSSXZYMOIZWKTA-SJORKVTESA-N 0 1 317.433 1.793 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000175748922 408195970 /nfs/dbraw/zinc/19/59/70/408195970.db2.gz BYXITSWKBYFZQK-CQSZACIVSA-N 0 1 315.373 1.168 10 0 DDAEMN C[C@@H](NC(=O)CN[C@H](C)c1cccs1)C(=O)N1CCCCC1 ZINC000182542977 408189791 /nfs/dbraw/zinc/18/97/91/408189791.db2.gz JKQNYAWVAGXJSN-CHWSQXEVSA-N 0 1 323.462 1.916 10 0 DDAEMN CCCCCCNC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246411915 408249659 /nfs/dbraw/zinc/24/96/59/408249659.db2.gz KBLQUBGMYZIJNZ-CVEARBPZSA-N 0 1 311.470 1.335 10 0 DDAEMN COCCCS(=O)(=O)NCCN[C@H](C)c1ccc(C)o1 ZINC000182591769 408200035 /nfs/dbraw/zinc/20/00/35/408200035.db2.gz LTHMJTWWYGIOML-GFCCVEGCSA-N 0 1 304.412 1.195 10 0 DDAEMN C[C@H]1CN(CC(=O)N(C)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246332350 408223185 /nfs/dbraw/zinc/22/31/85/408223185.db2.gz DUIPVGACJKIDOO-DOTOQJQBSA-N 0 1 317.433 1.302 10 0 DDAEMN Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CN2CCOCC2)o1 ZINC000130952976 162001012 /nfs/dbraw/zinc/00/10/12/162001012.db2.gz PNFJBDQRIMRKQL-HZPDHXFCSA-N 0 1 308.422 1.808 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000246798668 408341750 /nfs/dbraw/zinc/34/17/50/408341750.db2.gz RDNXRGGXWPJLRX-CABCVRRESA-N 0 1 316.445 1.631 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(F)c(C)c3)CCO2)n[nH]1 ZINC000173547789 162347356 /nfs/dbraw/zinc/34/73/56/162347356.db2.gz JOGZYCIQSGDEKA-CYBMUJFWSA-N 0 1 304.325 1.774 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173669344 162355361 /nfs/dbraw/zinc/35/53/61/162355361.db2.gz CJDUOLJPCQVWLG-CYBMUJFWSA-N 0 1 309.414 1.135 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)NCCC(C)(C)C)CCO2)n[nH]1 ZINC000173682432 162358051 /nfs/dbraw/zinc/35/80/51/162358051.db2.gz JHANBGKECXPEOY-GFCCVEGCSA-N 0 1 309.414 1.039 10 0 DDAEMN CCC[C@H](C)CS(=O)(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173735261 162360228 /nfs/dbraw/zinc/36/02/28/162360228.db2.gz HSXQAXSCKLRSAC-JQWIXIFHSA-N 0 1 316.427 1.252 10 0 DDAEMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[C@H](N2CCOCC2)C1 ZINC000173931315 162377132 /nfs/dbraw/zinc/37/71/32/162377132.db2.gz RSBPEFQYTVTTIS-TWMKSMIVSA-N 0 1 323.481 1.571 10 0 DDAEMN C[C@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247154783 408418591 /nfs/dbraw/zinc/41/85/91/408418591.db2.gz QEXYEKJXPRASAG-NVXWUHKLSA-N 0 1 323.481 1.573 10 0 DDAEMN CS[C@H](CO)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000247662839 408500195 /nfs/dbraw/zinc/50/01/95/408500195.db2.gz YECWJHQEZWXSRB-VHDGCEQUSA-N 0 1 310.463 1.388 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000247700604 408503958 /nfs/dbraw/zinc/50/39/58/408503958.db2.gz XTOOKNQAGIQRSG-DOTOQJQBSA-N 0 1 319.449 1.982 10 0 DDAEMN COCCN1CCN(Cc2cn3c(cccc3C)n2)C[C@@H]1C ZINC000247438533 408469761 /nfs/dbraw/zinc/46/97/61/408469761.db2.gz ZNYFMZULEQDXIE-HNNXBMFYSA-N 0 1 302.422 1.795 10 0 DDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000247459865 408476567 /nfs/dbraw/zinc/47/65/67/408476567.db2.gz QRTSVGILKOEJEW-MFKMUULPSA-N 0 1 316.373 1.822 10 0 DDAEMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1nn[nH]n1 ZINC000248426834 408563073 /nfs/dbraw/zinc/56/30/73/408563073.db2.gz MANGGUANISGKLY-DVVUODLYSA-N 0 1 321.331 1.844 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177263090 408567535 /nfs/dbraw/zinc/56/75/35/408567535.db2.gz IXWAXOCJAJSTKG-YHUYYLMFSA-N 0 1 311.470 1.332 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177263090 408567537 /nfs/dbraw/zinc/56/75/37/408567537.db2.gz IXWAXOCJAJSTKG-YHUYYLMFSA-N 0 1 311.470 1.332 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)CCN1C[C@H](C)O ZINC000248444328 408569106 /nfs/dbraw/zinc/56/91/06/408569106.db2.gz BMOUQSYZUKMZLQ-KBPBESRZSA-N 0 1 320.437 1.065 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)c2cccnc2)CCN1C[C@@H](C)O ZINC000248452254 408570436 /nfs/dbraw/zinc/57/04/36/408570436.db2.gz KGJMCJQVMXRXTR-IIAWOOMASA-N 0 1 320.437 1.629 10 0 DDAEMN Cc1ccc(O)c(CN[C@H]2CCCN(c3ncc[nH]c3=O)C2)n1 ZINC000275584386 408610372 /nfs/dbraw/zinc/61/03/72/408610372.db2.gz PHTDKVYDBKLMHK-LBPRGKRZSA-N 0 1 315.377 1.350 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2nccn2-c2ccccc2)C[C@H]1C ZINC000248838683 408643493 /nfs/dbraw/zinc/64/34/93/408643493.db2.gz KOTHVDKCLKFMBR-CVEARBPZSA-N 0 1 314.433 1.759 10 0 DDAEMN Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000249196509 408704242 /nfs/dbraw/zinc/70/42/42/408704242.db2.gz QDVMRRLUKITDIT-HIFRSBDPSA-N 0 1 315.417 1.937 10 0 DDAEMN CCc1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n[nH]1 ZINC000249368553 408719648 /nfs/dbraw/zinc/71/96/48/408719648.db2.gz VVEGUZNKLAGTOS-MFKMUULPSA-N 0 1 308.332 1.953 10 0 DDAEMN FC(F)(F)Cn1nnnc1CN1CCC(c2ccn[nH]2)CC1 ZINC000190852075 163160781 /nfs/dbraw/zinc/16/07/81/163160781.db2.gz XZFVSAXILBCHNH-UHFFFAOYSA-N 0 1 315.303 1.338 10 0 DDAEMN NCC(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000237958433 163392296 /nfs/dbraw/zinc/39/22/96/163392296.db2.gz QTOAGIPVSVXUMR-UHFFFAOYSA-N 0 1 311.385 1.290 10 0 DDAEMN CC(C)C(=O)NCCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C ZINC000128871407 196000257 /nfs/dbraw/zinc/00/02/57/196000257.db2.gz HBLKYJOPUFHCEP-INIZCTEOSA-N 0 1 319.449 1.390 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)CCO2)n[nH]1 ZINC000367074019 418556595 /nfs/dbraw/zinc/55/65/95/418556595.db2.gz VYVFCYQEWLDXOY-WDEREUQCSA-N 0 1 314.336 1.839 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851987 423158315 /nfs/dbraw/zinc/15/83/15/423158315.db2.gz SCQGKQCZQOCEIS-IAGOWNOFSA-N 0 1 319.449 1.521 10 0 DDAEMN Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c(C)n1C ZINC000527563094 421413972 /nfs/dbraw/zinc/41/39/72/421413972.db2.gz WNTADGATGQZEIS-DYEKYZERSA-N 0 1 317.393 1.045 10 0 DDAEMN CCc1nn(C)cc1CN1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1 ZINC000583617916 422200955 /nfs/dbraw/zinc/20/09/55/422200955.db2.gz JOGBZSMTKHODLL-OCCSQVGLSA-N 0 1 304.398 1.371 10 0 DDAEMN O[C@]1(c2cn[nH]n2)CCCN(CCOc2cccc(Cl)c2)C1 ZINC000583617891 422201760 /nfs/dbraw/zinc/20/17/60/422201760.db2.gz GNVBZZQNPMLSAJ-OAHLLOKOSA-N 0 1 322.796 1.821 10 0 DDAEMN COC(=O)Cc1c(F)ccc(I)c1O ZINC000575714771 422313703 /nfs/dbraw/zinc/31/37/03/422313703.db2.gz YPWSTFXTNDJCDK-UHFFFAOYSA-N 0 1 310.062 1.851 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCOC[C@H]1c1cnc[nH]1 ZINC000616597178 422513813 /nfs/dbraw/zinc/51/38/13/422513813.db2.gz AVRAYXUVDZOTCJ-AWEZNQCLSA-N 0 1 307.375 1.562 10 0 DDAEMN COC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000117879913 277122239 /nfs/dbraw/zinc/12/22/39/277122239.db2.gz DFEDASXILHJENI-FMKPAKJESA-N 0 1 306.406 1.288 10 0 DDAEMN NNc1cc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000038009135 295280109 /nfs/dbraw/zinc/28/01/09/295280109.db2.gz CPEPYFILGIVXTQ-AAEUAGOBSA-N 0 1 310.423 1.711 10 0 DDAEMN Cc1ccnc(NC[C@H]2CCN(c3ncnc4nc[nH]c43)C2)c1 ZINC000377541458 307272399 /nfs/dbraw/zinc/27/23/99/307272399.db2.gz DAYKPSSEQMCQCL-GFCCVEGCSA-N 0 1 309.377 1.995 10 0 DDAEMN C[C@@H](CNC(=O)c1[nH]nc2c1CCCCC2)N1CCOCC1 ZINC000189994043 524731403 /nfs/dbraw/zinc/73/14/03/524731403.db2.gz NZPHSMVXUNWTGR-LBPRGKRZSA-N 0 1 306.410 1.129 10 0 DDAEMN CC[C@H]1CN(CN2C[C@H](C(C)C)CC2=O)CCN1CCOC ZINC000117324278 696670344 /nfs/dbraw/zinc/67/03/44/696670344.db2.gz BGMVXKDMJVAZBT-CVEARBPZSA-N 0 1 311.470 1.491 10 0 DDAEMN COCCN1CCN(Cn2nccc2-c2cccnc2)C[C@@H]1C ZINC000117323158 696670371 /nfs/dbraw/zinc/67/03/71/696670371.db2.gz OTHLZSOZUFPDTF-HNNXBMFYSA-N 0 1 315.421 1.555 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000172349338 697366654 /nfs/dbraw/zinc/36/66/54/697366654.db2.gz PLARXZWHEOBXCB-ZDUSSCGKSA-N 0 1 317.368 1.621 10 0 DDAEMN Cc1nn[nH]c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000189902490 697582262 /nfs/dbraw/zinc/58/22/62/697582262.db2.gz LZWCWMBTKFMRQT-SNVBAGLBSA-N 0 1 309.370 1.242 10 0 DDAEMN CCCn1cc(NC(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)cn1 ZINC000246074183 698342726 /nfs/dbraw/zinc/34/27/26/698342726.db2.gz JCRXYGHXRCWQLA-DZGCQCFKSA-N 0 1 323.441 1.602 10 0 DDAEMN CC1(C)CN(Cc2noc(CN)n2)CCN1Cc1ccccc1 ZINC000261889115 698443044 /nfs/dbraw/zinc/44/30/44/698443044.db2.gz ZKQLTJCGPHFPTD-UHFFFAOYSA-N 0 1 315.421 1.625 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000262247498 698461387 /nfs/dbraw/zinc/46/13/87/698461387.db2.gz IISXJIJOZOLPHQ-CVEARBPZSA-N 0 1 322.405 1.177 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000262317400 698464416 /nfs/dbraw/zinc/46/44/16/698464416.db2.gz QKUASQXHHAQNTF-WPGHFRTFSA-N 0 1 301.390 1.315 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccccc2F)C1 ZINC000262837778 698481561 /nfs/dbraw/zinc/48/15/61/698481561.db2.gz SYFJVFHPFAFBOO-UHFFFAOYSA-N 0 1 324.352 1.258 10 0 DDAEMN C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)o1 ZINC000263484298 698509323 /nfs/dbraw/zinc/50/93/23/698509323.db2.gz GZQXMEQIOYVGAO-YUELXQCFSA-N 0 1 322.405 1.620 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)[C@@H]1SC ZINC000263504897 698510260 /nfs/dbraw/zinc/51/02/60/698510260.db2.gz LTTULAUIQFOPQN-VRGIRBFQSA-N 0 1 316.467 1.423 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)[C@@H]1SC ZINC000263504897 698510264 /nfs/dbraw/zinc/51/02/64/698510264.db2.gz LTTULAUIQFOPQN-VRGIRBFQSA-N 0 1 316.467 1.423 10 0 DDAEMN CC[C@@H](CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000263499924 698510481 /nfs/dbraw/zinc/51/04/81/698510481.db2.gz KNZPDXBYEITXDR-DOTOQJQBSA-N 0 1 320.433 1.897 10 0 DDAEMN O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000700770795 699222466 /nfs/dbraw/zinc/22/24/66/699222466.db2.gz IBFSZKLXPKXFDY-UWVGGRQHSA-N 0 1 316.188 1.591 10 0 DDAEMN CCc1nc[nH]c1C(=O)N1CCCC[C@H]1c1n[nH]c(COC)n1 ZINC000908252080 712720692 /nfs/dbraw/zinc/72/06/92/712720692.db2.gz XZXCFENJNHJVIP-NSHDSACASA-N 0 1 318.381 1.604 10 0 DDAEMN CN[C@H](CS(=O)(=O)CCOC)c1ccc(OC)c(OC)c1 ZINC000081943662 192343773 /nfs/dbraw/zinc/34/37/73/192343773.db2.gz SQUDHTBBTCCGKJ-GFCCVEGCSA-N 0 1 317.407 1.026 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC(=O)OCC)c1ccccc1C ZINC000081977574 192347467 /nfs/dbraw/zinc/34/74/67/192347467.db2.gz IVZRAHQKRBPLQF-CQSZACIVSA-N 0 1 313.419 1.624 10 0 DDAEMN CCCNCc1nnc(-n2cc(Br)cn2)s1 ZINC000087698580 185230665 /nfs/dbraw/zinc/23/06/65/185230665.db2.gz FJSKNDYLTOFRSG-UHFFFAOYSA-N 0 1 302.201 1.986 10 0 DDAEMN Cc1nn(C)c(C)c1Oc1nc(NN)ncc1Br ZINC000087891294 185234823 /nfs/dbraw/zinc/23/48/23/185234823.db2.gz GDLLJBCGVXAGOE-UHFFFAOYSA-N 0 1 313.159 1.667 10 0 DDAEMN CC(C)CCN(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087898492 185235859 /nfs/dbraw/zinc/23/58/59/185235859.db2.gz ZMOAUWQXOQRMPC-UHFFFAOYSA-N 0 1 316.427 1.299 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C[C@@H]3CCCCC(=O)N3)CCO2)n[nH]1 ZINC000328808925 231354298 /nfs/dbraw/zinc/35/42/98/231354298.db2.gz MIHJZQGWTKIHLT-NWDGAFQWSA-N 0 1 321.381 1.302 10 0 DDAEMN CC(C)C[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)CC(=O)[O-] ZINC000088274913 185244468 /nfs/dbraw/zinc/24/44/68/185244468.db2.gz PHTYCZSPDDMAPM-CYBMUJFWSA-N 0 1 301.431 1.763 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cncc(C)c2)CC1 ZINC000088449304 185251404 /nfs/dbraw/zinc/25/14/04/185251404.db2.gz YBNRBVWQRCZLLK-CYBMUJFWSA-N 0 1 306.435 1.213 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1cnc(Cl)c(Cl)c1 ZINC000088750992 185264224 /nfs/dbraw/zinc/26/42/24/185264224.db2.gz ZTUUARGJJMALSE-UHFFFAOYSA-N 0 1 307.162 1.590 10 0 DDAEMN CCCCN([C@H](C)CC)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088891197 185269677 /nfs/dbraw/zinc/26/96/77/185269677.db2.gz AJUBRXNWROTQRJ-SNVBAGLBSA-N 0 1 303.428 1.800 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2Cc3nc[nH]c3CN2)cc1Cl ZINC000092779446 185340176 /nfs/dbraw/zinc/34/01/76/185340176.db2.gz QLCGLBBHWUWKAH-NSHDSACASA-N 0 1 306.753 1.725 10 0 DDAEMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000092939778 185350170 /nfs/dbraw/zinc/35/01/70/185350170.db2.gz ZEGMCCVOLZHFJD-ZYHUDNBSSA-N 0 1 310.781 1.751 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccs2)CCN1C[C@@H](C)O ZINC000181525369 199311283 /nfs/dbraw/zinc/31/12/83/199311283.db2.gz ZNAUXVFTQPYPDO-CHWSQXEVSA-N 0 1 311.451 1.735 10 0 DDAEMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N1CCN(CCO)CC1 ZINC000071663766 191000367 /nfs/dbraw/zinc/00/03/67/191000367.db2.gz VIFJJWVQFHQCMB-LLVKDONJSA-N 0 1 308.813 1.887 10 0 DDAEMN COc1ccc2c(c1)nc([C@H](C)N)n2CC(=O)N1CCCC1 ZINC000071667921 191002366 /nfs/dbraw/zinc/00/23/66/191002366.db2.gz MGUNQFZTZUDZBY-NSHDSACASA-N 0 1 302.378 1.687 10 0 DDAEMN Cc1cc(C)n(C[C@@H](C)Nc2nc(C)nc3c2CCNC3)n1 ZINC000072148759 191054912 /nfs/dbraw/zinc/05/49/12/191054912.db2.gz JQPFEFQOIJGIBA-LLVKDONJSA-N 0 1 300.410 1.745 10 0 DDAEMN CCc1nc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n[nH]1 ZINC000173737303 198246681 /nfs/dbraw/zinc/24/66/81/198246681.db2.gz HLRHKWQTKCIGPA-LBPRGKRZSA-N 0 1 322.390 1.129 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccccc2F)C1 ZINC000174004375 198279710 /nfs/dbraw/zinc/27/97/10/198279710.db2.gz AKNZWZWCJMEGFN-DOMZBBRYSA-N 0 1 314.426 1.974 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)COc2cccc(C)c2)CC1 ZINC000174078380 198288248 /nfs/dbraw/zinc/28/82/48/198288248.db2.gz FMGNORFOFWODHL-IRXDYDNUSA-N 0 1 322.449 1.123 10 0 DDAEMN CNCC(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000090505788 353795081 /nfs/dbraw/zinc/79/50/81/353795081.db2.gz QWDCIABAOBRKEX-UHFFFAOYSA-N 0 1 305.355 1.856 10 0 DDAEMN O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CC1 ZINC000004388542 181106276 /nfs/dbraw/zinc/10/62/76/181106276.db2.gz NNUSYJIKNKDJCU-UHFFFAOYSA-N 0 1 317.368 1.486 10 0 DDAEMN CC(C)S(=O)(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000081569737 192292632 /nfs/dbraw/zinc/29/26/32/192292632.db2.gz WJIKBXUBYXWZSC-UHFFFAOYSA-N 0 1 313.347 1.833 10 0 DDAEMN CNc1ncc(S(=O)(=O)NCCN(C)C2CC2)cc1Cl ZINC000081695295 192314139 /nfs/dbraw/zinc/31/41/39/192314139.db2.gz BHUMPMHQRJNMMF-UHFFFAOYSA-N 0 1 318.830 1.149 10 0 DDAEMN CCCN(CCC)S(=O)(=O)c1n[nH]cc1CNC1CC1 ZINC000088914513 192654537 /nfs/dbraw/zinc/65/45/37/192654537.db2.gz NMMXPSGIOIBXPC-UHFFFAOYSA-N 0 1 300.428 1.472 10 0 DDAEMN C[C@H](C(N)=S)N1CCN(C[C@H]2Cc3ccccc3S2)CC1 ZINC000092261130 193182401 /nfs/dbraw/zinc/18/24/01/193182401.db2.gz BCDUNGFLPBQDJN-TZMCWYRMSA-N 0 1 321.515 1.996 10 0 DDAEMN NC(=S)CN1CCN(C[C@@H]2CSc3ccccc32)CC1 ZINC000092275967 193183955 /nfs/dbraw/zinc/18/39/55/193183955.db2.gz QGYBXQQVJSHJJX-GFCCVEGCSA-N 0 1 307.488 1.780 10 0 DDAEMN O=C(CCn1c2c(nc1C(F)(F)F)CNCC2)NC1CC1 ZINC000092997906 193192458 /nfs/dbraw/zinc/19/24/58/193192458.db2.gz RWOKXSPZNFNJCJ-UHFFFAOYSA-N 0 1 302.300 1.216 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093778989 193306287 /nfs/dbraw/zinc/30/62/87/193306287.db2.gz BELGEBYPJJAZKD-ISVAXAHUSA-N 0 1 307.379 1.258 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000093780206 193307272 /nfs/dbraw/zinc/30/72/72/193307272.db2.gz WGVGTOHPPCUNIY-PELKAZGASA-N 0 1 316.452 1.509 10 0 DDAEMN CCOC(=O)[C@H]1CCCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094643594 193389480 /nfs/dbraw/zinc/38/94/80/193389480.db2.gz URDFQXJRBRARDK-MJBXVCDLSA-N 0 1 317.451 1.617 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@@H](N2CCc3ccc(N)cc3C2)C1 ZINC000094792411 193398496 /nfs/dbraw/zinc/39/84/96/193398496.db2.gz PCZHBXJRIRGBEK-CVEARBPZSA-N 0 1 308.447 1.983 10 0 DDAEMN OCCCc1nc2ccccc2n1CCCN1CCOCC1 ZINC000040389815 183059950 /nfs/dbraw/zinc/05/99/50/183059950.db2.gz OMMVOMGNHOFYAH-UHFFFAOYSA-N 0 1 303.406 1.684 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)NCc1ccc(Br)cc1 ZINC000042240114 183245359 /nfs/dbraw/zinc/24/53/59/183245359.db2.gz ACVFHOYXGIQDAB-MRVPVSSYSA-N 0 1 314.183 1.383 10 0 DDAEMN CC(C)[N@@H+](CCO)CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000042480022 183275647 /nfs/dbraw/zinc/27/56/47/183275647.db2.gz IIIIOTJRTMQKTA-UHFFFAOYSA-N 0 1 314.769 1.679 10 0 DDAEMN CCc1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)n[nH]1 ZINC000105816298 194136201 /nfs/dbraw/zinc/13/62/01/194136201.db2.gz KIIZTNMINKNHSM-UHFFFAOYSA-N 0 1 314.393 1.503 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000105818191 194136699 /nfs/dbraw/zinc/13/66/99/194136699.db2.gz OKODQORGSNEDLG-HNNXBMFYSA-N 0 1 311.470 1.286 10 0 DDAEMN CCN(CC)C(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105806205 194134121 /nfs/dbraw/zinc/13/41/21/194134121.db2.gz FNRNDAUGVWEXEW-UHFFFAOYSA-N 0 1 305.426 1.246 10 0 DDAEMN NC(=O)c1cccc(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000105805607 194134269 /nfs/dbraw/zinc/13/42/69/194134269.db2.gz JDZOHYOQUDQMLG-UHFFFAOYSA-N 0 1 311.389 1.652 10 0 DDAEMN CCCCc1nc(CN2CCN(CCOCC)[C@H](C)C2)no1 ZINC000105835556 194141480 /nfs/dbraw/zinc/14/14/80/194141480.db2.gz SUWVQWNMGLLJCP-CQSZACIVSA-N 0 1 310.442 1.955 10 0 DDAEMN CC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CCOC ZINC000105836688 194143327 /nfs/dbraw/zinc/14/33/27/194143327.db2.gz GHFLQRLNEKXETO-INIZCTEOSA-N 0 1 323.481 1.334 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCC[C@H](C)C2)CCN1CCOC ZINC000105836450 194143330 /nfs/dbraw/zinc/14/33/30/194143330.db2.gz BDKFAADFWFCRNH-HOTGVXAUSA-N 0 1 311.470 1.288 10 0 DDAEMN CCOCCN1CCN(CC(=O)NC2CCCC2)C[C@H]1CC ZINC000105837739 194144244 /nfs/dbraw/zinc/14/42/44/194144244.db2.gz HHHOWRNOKYOUNP-MRXNPFEDSA-N 0 1 311.470 1.478 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)CCS(=O)(=O)c1ccccc1 ZINC000106379252 194204069 /nfs/dbraw/zinc/20/40/69/194204069.db2.gz GYLLBXJALSHCSA-OAHLLOKOSA-N 0 1 310.463 1.876 10 0 DDAEMN Nc1ccc2nc([S@](=O)CCOCC(F)(F)F)[nH]c2c1 ZINC000049311924 183725472 /nfs/dbraw/zinc/72/54/72/183725472.db2.gz LKIHWFYOTLELMT-FQEVSTJZSA-N 0 1 307.297 1.832 10 0 DDAEMN Cc1ccccc1CC(=O)N1CCN([C@H](C)C(N)=S)CC1 ZINC000109457750 194264333 /nfs/dbraw/zinc/26/43/33/194264333.db2.gz PWLNNCTWBIXIMF-CYBMUJFWSA-N 0 1 305.447 1.356 10 0 DDAEMN CN(c1cc(CO)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000109594341 194276239 /nfs/dbraw/zinc/27/62/39/194276239.db2.gz XKVIZCCOLUJYFE-GFCCVEGCSA-N 0 1 306.387 1.350 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000109465833 194267436 /nfs/dbraw/zinc/26/74/36/194267436.db2.gz CXBQBOICFHMOTO-UHFFFAOYSA-N 0 1 311.476 1.500 10 0 DDAEMN CC[N@H+](CC(=O)NCc1ccccc1Cl)C[C@H](C)C(=O)[O-] ZINC000061221337 184166381 /nfs/dbraw/zinc/16/63/81/184166381.db2.gz XILDBYDRQDMMDA-NSHDSACASA-N 0 1 312.797 1.999 10 0 DDAEMN NS(=O)(=O)CCNC1c2ccccc2Cc2ccccc21 ZINC000061669836 184181873 /nfs/dbraw/zinc/18/18/73/184181873.db2.gz BBNBFTZYGJOQSZ-UHFFFAOYSA-N 0 1 302.399 1.558 10 0 DDAEMN O=S(=O)(Cc1ccc(F)cc1)NOCCN1CCCCC1 ZINC000062578245 184244138 /nfs/dbraw/zinc/24/41/38/184244138.db2.gz QZSXCSDXHJCQQH-UHFFFAOYSA-N 0 1 316.398 1.663 10 0 DDAEMN COCCNCc1c(Cl)cccc1N(C)C[C@H](O)COC ZINC000062737698 184252247 /nfs/dbraw/zinc/25/22/47/184252247.db2.gz TUAKRGWRUUJCHM-LBPRGKRZSA-N 0 1 316.829 1.520 10 0 DDAEMN CC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000062936831 184261000 /nfs/dbraw/zinc/26/10/00/184261000.db2.gz KLODVNULQQEHBI-DOMZBBRYSA-N 0 1 309.387 1.702 10 0 DDAEMN CC[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000062936831 184261001 /nfs/dbraw/zinc/26/10/01/184261001.db2.gz KLODVNULQQEHBI-DOMZBBRYSA-N 0 1 309.387 1.702 10 0 DDAEMN CS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c(N)c1 ZINC000062975990 184264447 /nfs/dbraw/zinc/26/44/47/184264447.db2.gz BKSKXGORQMDGJC-GFCCVEGCSA-N 0 1 309.435 1.347 10 0 DDAEMN O=S1(=O)CC[C@H](Cc2nc(CCc3ccccc3)n[nH]2)C1 ZINC000065461186 184349022 /nfs/dbraw/zinc/34/90/22/184349022.db2.gz OAIHOIIOKGIHHF-CYBMUJFWSA-N 0 1 305.403 1.567 10 0 DDAEMN O=C(CCCCc1cn[nH]n1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000157912175 197226764 /nfs/dbraw/zinc/22/67/64/197226764.db2.gz LGEUHNYIQVXTCF-AWEZNQCLSA-N 0 1 302.382 1.994 10 0 DDAEMN Cc1nnc(SCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000120576889 195194069 /nfs/dbraw/zinc/19/40/69/195194069.db2.gz YMYZVNMGHQCAOS-BXUZGUMPSA-N 0 1 310.423 1.359 10 0 DDAEMN Cc1n[nH]c(SCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000120576889 195194071 /nfs/dbraw/zinc/19/40/71/195194071.db2.gz YMYZVNMGHQCAOS-BXUZGUMPSA-N 0 1 310.423 1.359 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2cccnc2)C1)N1CCCO1 ZINC000247800223 257117362 /nfs/dbraw/zinc/11/73/62/257117362.db2.gz UVBGUJUWFRHXJK-PMPSAXMXSA-N 0 1 317.389 1.225 10 0 DDAEMN CS(=O)(=O)N1C[C@@H]2CCCN(Cc3cccs3)[C@@H]2C1 ZINC000247563832 257118761 /nfs/dbraw/zinc/11/87/61/257118761.db2.gz ZQTFENNJQRZJAR-WCQYABFASA-N 0 1 300.449 1.604 10 0 DDAEMN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000128723968 407566572 /nfs/dbraw/zinc/56/65/72/407566572.db2.gz WQDBEBKZUBLUGH-CYBMUJFWSA-N 0 1 324.446 1.429 10 0 DDAEMN C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000068414043 406640355 /nfs/dbraw/zinc/64/03/55/406640355.db2.gz XWESJRMQUXNUBW-HIFRSBDPSA-N 0 1 318.421 1.131 10 0 DDAEMN C[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(Cl)s1 ZINC000049129278 407115657 /nfs/dbraw/zinc/11/56/57/407115657.db2.gz HYEHKUWJVSEHMK-QMMMGPOBSA-N 0 1 313.810 1.650 10 0 DDAEMN O=S(=O)(NC[C@H]1CCC[C@H]1O)c1c(F)cc(F)cc1F ZINC000089165424 407124665 /nfs/dbraw/zinc/12/46/65/407124665.db2.gz GEQDJBHKWOEWQN-RDDDGLTNSA-N 0 1 309.309 1.543 10 0 DDAEMN CCCCNC(=O)[C@@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000092710371 407190600 /nfs/dbraw/zinc/19/06/00/407190600.db2.gz KDOLHGYPBPUSIG-CQSZACIVSA-N 0 1 322.453 1.865 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(C(C)C)on3)CCO2)n[nH]1 ZINC000123085689 407319003 /nfs/dbraw/zinc/31/90/03/407319003.db2.gz IBDAMVNHAPPJLU-GFCCVEGCSA-N 0 1 319.365 1.692 10 0 DDAEMN CCOCCC1(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCC1 ZINC000122676071 407307744 /nfs/dbraw/zinc/30/77/44/407307744.db2.gz LLVVZDIHDHNVHV-ZDUSSCGKSA-N 0 1 322.409 1.610 10 0 DDAEMN Cc1cc(CC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)[nH]n1 ZINC000122841512 407312504 /nfs/dbraw/zinc/31/25/04/407312504.db2.gz XOOHNYNUXQPCLW-LLVKDONJSA-N 0 1 302.382 1.107 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000105826316 407355551 /nfs/dbraw/zinc/35/55/51/407355551.db2.gz COQRFTKCBUKZJA-ARFHVFGLSA-N 0 1 311.470 1.022 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)CCN1C[C@@H](C)O ZINC000105826316 407355553 /nfs/dbraw/zinc/35/55/53/407355553.db2.gz COQRFTKCBUKZJA-ARFHVFGLSA-N 0 1 311.470 1.022 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000170807379 407512924 /nfs/dbraw/zinc/51/29/24/407512924.db2.gz RLKAUJRFMRZDCH-OCCSQVGLSA-N 0 1 303.410 1.041 10 0 DDAEMN CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000261856647 407645309 /nfs/dbraw/zinc/64/53/09/407645309.db2.gz ABDOCGYLTUENNY-RKDXNWHRSA-N 0 1 310.316 1.486 10 0 DDAEMN CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000261856647 407645315 /nfs/dbraw/zinc/64/53/15/407645315.db2.gz ABDOCGYLTUENNY-RKDXNWHRSA-N 0 1 310.316 1.486 10 0 DDAEMN Cc1nc([C@@H]2CN(CCNC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000130632461 407700523 /nfs/dbraw/zinc/70/05/23/407700523.db2.gz NIURSAWJWKOEFY-NSHDSACASA-N 0 1 311.386 1.011 10 0 DDAEMN O[C@H](CN1CCC[C@H](n2cncn2)C1)c1cc(F)ccc1F ZINC000171619390 407721106 /nfs/dbraw/zinc/72/11/06/407721106.db2.gz BTPLALGUADSLJH-SWLSCSKDSA-N 0 1 308.332 1.927 10 0 DDAEMN O[C@@H](COc1ccccc1F)CN1CCC[C@H](n2cncn2)C1 ZINC000171625644 407723475 /nfs/dbraw/zinc/72/34/75/407723475.db2.gz KXYRRJBVNAFTRA-UONOGXRCSA-N 0 1 320.368 1.494 10 0 DDAEMN O=C(c1cccc(CN2C[C@H](O)C[C@@H]2CO)c1)N1CCCCC1 ZINC000179172311 407743483 /nfs/dbraw/zinc/74/34/83/407743483.db2.gz SKGJWNYTTKDVOC-IAGOWNOFSA-N 0 1 318.417 1.240 10 0 DDAEMN CSc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171770360 407763423 /nfs/dbraw/zinc/76/34/23/407763423.db2.gz VINAZTQBJMAOML-GFCCVEGCSA-N 0 1 312.460 1.877 10 0 DDAEMN COCc1cccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171770555 407765136 /nfs/dbraw/zinc/76/51/36/407765136.db2.gz AAGYHTBSGJPDFQ-CQSZACIVSA-N 0 1 310.419 1.302 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000262374297 407817587 /nfs/dbraw/zinc/81/75/87/407817587.db2.gz WZOFWICHCVYXJW-LBPRGKRZSA-N 0 1 301.350 1.261 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000262576352 407871901 /nfs/dbraw/zinc/87/19/01/407871901.db2.gz TVCGEMIYCWDDPU-NEPJUHHUSA-N 0 1 312.341 1.296 10 0 DDAEMN Cc1cccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1Cl ZINC000180262189 407873006 /nfs/dbraw/zinc/87/30/06/407873006.db2.gz NCBXECAUNJYKIB-NSHDSACASA-N 0 1 302.827 1.973 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccc(O)cc2)CCN1CCOC ZINC000133847307 407876379 /nfs/dbraw/zinc/87/63/79/407876379.db2.gz MXZQUIBPDPTNSM-OAHLLOKOSA-N 0 1 306.406 1.504 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(F)cc2F)C1 ZINC000262681083 407897517 /nfs/dbraw/zinc/89/75/17/407897517.db2.gz ASEYHZMJQFWLCF-UHFFFAOYSA-N 0 1 312.316 1.632 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)CC[C@@H]2CCOC2)C1 ZINC000262722836 407909190 /nfs/dbraw/zinc/90/91/90/407909190.db2.gz QSFPUCISGYJZGZ-WLYUNCDWSA-N 0 1 324.421 1.247 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC3(CCC3)C2)C1 ZINC000262946093 407980547 /nfs/dbraw/zinc/98/05/47/407980547.db2.gz AGIZXWOLFCMWPC-UHFFFAOYSA-N 0 1 309.410 1.510 10 0 DDAEMN O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)[N-]OCc1ccccc1 ZINC000119343911 408046491 /nfs/dbraw/zinc/04/64/91/408046491.db2.gz LKYMIZIKFONUJF-JKSUJKDBSA-N 0 1 304.390 1.878 10 0 DDAEMN O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)[N-]OCc1ccccc1 ZINC000119343911 408046496 /nfs/dbraw/zinc/04/64/96/408046496.db2.gz LKYMIZIKFONUJF-JKSUJKDBSA-N 0 1 304.390 1.878 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H](C)CCCOC)CCO2)n[nH]1 ZINC000182055741 408067306 /nfs/dbraw/zinc/06/73/06/408067306.db2.gz RFWCEOGBUZLITG-NEPJUHHUSA-N 0 1 310.398 1.330 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)CCCSC)C1 ZINC000263476325 408149470 /nfs/dbraw/zinc/14/94/70/408149470.db2.gz MRQCKXOIDSJJBQ-UHFFFAOYSA-N 0 1 317.455 1.318 10 0 DDAEMN CCCCN(C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)C1CC1 ZINC000263500205 408156568 /nfs/dbraw/zinc/15/65/68/408156568.db2.gz VEVATMXKDBFUCE-UHFFFAOYSA-N 0 1 311.426 1.898 10 0 DDAEMN CCOc1ccccc1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263496774 408156672 /nfs/dbraw/zinc/15/66/72/408156672.db2.gz JWEQMEGCEYEISG-HNNXBMFYSA-N 0 1 322.405 1.303 10 0 DDAEMN CC(=O)[C@H](C)CCCCC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000155619873 408187931 /nfs/dbraw/zinc/18/79/31/408187931.db2.gz DLUWBYAKAPSZGT-BXUZGUMPSA-N 0 1 322.409 1.799 10 0 DDAEMN Cc1nc([C@@H]2CN(CCC(=O)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000122106898 408251301 /nfs/dbraw/zinc/25/13/01/408251301.db2.gz LRUYNTHECLNQIF-HNNXBMFYSA-N 0 1 318.352 1.899 10 0 DDAEMN COCc1cccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000246687979 408318167 /nfs/dbraw/zinc/31/81/67/408318167.db2.gz AAGYHTBSGJPDFQ-AWEZNQCLSA-N 0 1 310.419 1.302 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccccc2F)CCN1C[C@H](C)O ZINC000246998548 408384871 /nfs/dbraw/zinc/38/48/71/408384871.db2.gz BIQSTQXHRMDAHU-KBPBESRZSA-N 0 1 323.412 1.541 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)n[nH]1 ZINC000173527816 162345619 /nfs/dbraw/zinc/34/56/19/162345619.db2.gz KSHRFERXOIKCNS-AWEZNQCLSA-N 0 1 311.345 1.808 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)n[nH]1 ZINC000173527829 162345664 /nfs/dbraw/zinc/34/56/64/162345664.db2.gz KSHRFERXOIKCNS-CQSZACIVSA-N 0 1 311.345 1.808 10 0 DDAEMN CCOc1ncccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173549079 162347236 /nfs/dbraw/zinc/34/72/36/162347236.db2.gz CTKWYYKNWPFYQU-GFCCVEGCSA-N 0 1 317.349 1.121 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173552360 162349291 /nfs/dbraw/zinc/34/92/91/162349291.db2.gz WLJJIDYHDWAHLC-CYBMUJFWSA-N 0 1 322.315 1.534 10 0 DDAEMN COc1cc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)ccc1C ZINC000173551758 162350005 /nfs/dbraw/zinc/35/00/05/162350005.db2.gz QOQNTHIUYWUZLE-AWEZNQCLSA-N 0 1 316.361 1.644 10 0 DDAEMN Cc1nc([C@@H]2CN(CC(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000173677247 162355375 /nfs/dbraw/zinc/35/53/75/162355375.db2.gz UUFLOACJMBMMFY-ZDUSSCGKSA-N 0 1 301.350 1.125 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n[nH]1 ZINC000173754957 162361791 /nfs/dbraw/zinc/36/17/91/162361791.db2.gz LTCMEJWSVVZVIS-ZDUSSCGKSA-N 0 1 312.333 1.203 10 0 DDAEMN CN(C(=O)CN1CC[C@H](N2CCOCC2)C1)C1CCCCC1 ZINC000173955634 162383283 /nfs/dbraw/zinc/38/32/83/162383283.db2.gz QUUSUUQKCJARAB-INIZCTEOSA-N 0 1 309.454 1.184 10 0 DDAEMN CCc1nc2n(n1)C[C@H](N[C@@H](c1nccn1C)C1CC1)CC2 ZINC000183319360 408377330 /nfs/dbraw/zinc/37/73/30/408377330.db2.gz UFPWXTPBBCTLAL-IUODEOHRSA-N 0 1 300.410 1.630 10 0 DDAEMN C[C@@H]1CN([C@@H](CNC(=O)c2cnn[nH]2)c2cccs2)CCO1 ZINC000176605076 408401287 /nfs/dbraw/zinc/40/12/87/408401287.db2.gz BKAGSZZOQMULJU-PWSUYJOCSA-N 0 1 321.406 1.058 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000159669722 408425491 /nfs/dbraw/zinc/42/54/91/408425491.db2.gz RYTXZPZORJEXHW-SKDRFNHKSA-N 0 1 315.211 1.470 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000159669589 408425693 /nfs/dbraw/zinc/42/56/93/408425693.db2.gz RYTXZPZORJEXHW-CABZTGNLSA-N 0 1 315.211 1.470 10 0 DDAEMN CCCCCNC(=O)[C@@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247229639 408434173 /nfs/dbraw/zinc/43/41/73/408434173.db2.gz RDLORTKGUPYTCR-HUUCEWRRSA-N 0 1 307.442 1.685 10 0 DDAEMN COCCN1CCN(Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C ZINC000177130839 408528412 /nfs/dbraw/zinc/52/84/12/408528412.db2.gz ZZJKBZSPMXZZBD-HNNXBMFYSA-N 0 1 315.421 1.420 10 0 DDAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 ZINC000248579442 408588860 /nfs/dbraw/zinc/58/88/60/408588860.db2.gz IDSAOGLRKCSBQL-MRVWCRGKSA-N 0 1 323.437 1.500 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cn1)N(C)C ZINC000161801748 408639163 /nfs/dbraw/zinc/63/91/63/408639163.db2.gz AGOWTYVSFMNFBT-CYBMUJFWSA-N 0 1 304.394 1.877 10 0 DDAEMN CCOCCN1CCN(CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000177502012 408639577 /nfs/dbraw/zinc/63/95/77/408639577.db2.gz MJOQPQTXMNURMU-AWEZNQCLSA-N 0 1 315.458 1.554 10 0 DDAEMN OC[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@H]1c1ccsc1 ZINC000249481374 408732075 /nfs/dbraw/zinc/73/20/75/408732075.db2.gz VPJXKGSFBTWUCL-QWRGUYRKSA-N 0 1 301.375 1.627 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1CC1(CN2[C@H](C)COC[C@H]2C)COC1 ZINC000252735433 408808176 /nfs/dbraw/zinc/80/81/76/408808176.db2.gz MRUPNRPTZKZAQC-KLHDSHLOSA-N 0 1 312.454 1.221 10 0 DDAEMN CO[C@@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCOC1 ZINC000276482078 408866894 /nfs/dbraw/zinc/86/68/94/408866894.db2.gz SBYLWSJLWVSBLS-RDJZCZTQSA-N 0 1 304.390 1.183 10 0 DDAEMN CCC1=C(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCCO1 ZINC000188398500 163052409 /nfs/dbraw/zinc/05/24/09/163052409.db2.gz ZABYEELTRMHTRC-CYBMUJFWSA-N 0 1 306.366 1.488 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000262230074 163789994 /nfs/dbraw/zinc/78/99/94/163789994.db2.gz QFKFPQLCAUOMOO-GFCCVEGCSA-N 0 1 311.769 1.144 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2nccn2-c2ccccc2)C1 ZINC000344038127 410911951 /nfs/dbraw/zinc/91/19/51/410911951.db2.gz QHYJCGNOECLCSP-CABCVRRESA-N 0 1 324.388 1.952 10 0 DDAEMN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192506886 418524316 /nfs/dbraw/zinc/52/43/16/418524316.db2.gz OXWIDVKJOPPGSV-VXGBXAGGSA-N 0 1 312.435 1.655 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000375477810 418646318 /nfs/dbraw/zinc/64/63/18/418646318.db2.gz GLPKQZLKZPDCKQ-ZLDLUXBVSA-N 0 1 306.410 1.620 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000375477810 418646320 /nfs/dbraw/zinc/64/63/20/418646320.db2.gz GLPKQZLKZPDCKQ-ZLDLUXBVSA-N 0 1 306.410 1.620 10 0 DDAEMN Cn1cc([C@@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)cn1 ZINC000365845080 418915116 /nfs/dbraw/zinc/91/51/16/418915116.db2.gz VTBOYNHHBXVIPD-AWEZNQCLSA-N 0 1 311.345 1.510 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000583616819 422200785 /nfs/dbraw/zinc/20/07/85/422200785.db2.gz TZRBRKHVYDVBSG-GFCCVEGCSA-N 0 1 313.283 1.707 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)NCCCF)[N@@H+]1Cc1ccccc1 ZINC000630662535 422250615 /nfs/dbraw/zinc/25/06/15/422250615.db2.gz FBXGALUVACAPHM-ZIAGYGMSSA-N 0 1 308.353 1.580 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)NCCCF)[N@H+]1Cc1ccccc1 ZINC000630662535 422250622 /nfs/dbraw/zinc/25/06/22/422250622.db2.gz FBXGALUVACAPHM-ZIAGYGMSSA-N 0 1 308.353 1.580 10 0 DDAEMN COCCN1CCN(c2ncnc3c(F)cccc32)C[C@H]1C ZINC000302656085 274032057 /nfs/dbraw/zinc/03/20/57/274032057.db2.gz HNHPHJQUDCIXSY-GFCCVEGCSA-N 0 1 304.369 1.926 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000246223461 280998298 /nfs/dbraw/zinc/99/82/98/280998298.db2.gz ZPIFIHIPYVXFEC-OAGGEKHMSA-N 0 1 311.470 1.164 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000123342645 281169815 /nfs/dbraw/zinc/16/98/15/281169815.db2.gz QPUKKKYCTVFULB-RDJZCZTQSA-N 0 1 311.470 1.166 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1CCOCCN1[C@H](C)COC[C@H]1C ZINC000246828475 282017226 /nfs/dbraw/zinc/01/72/26/282017226.db2.gz AZFJDAIILPPZJN-KLHDSHLOSA-N 0 1 300.443 1.221 10 0 DDAEMN Cn1c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nnc1C1CC1 ZINC000262562499 294156253 /nfs/dbraw/zinc/15/62/53/294156253.db2.gz WVBDEDVHFPSXDC-UPJWGTAASA-N 0 1 304.394 1.910 10 0 DDAEMN COc1cc(NC(=O)[C@H](N)CCS(C)(=O)=O)ccc1Cl ZINC000232201800 484172857 /nfs/dbraw/zinc/17/28/57/484172857.db2.gz UVZILYKLRJPNPN-SNVBAGLBSA-N 0 1 320.798 1.049 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3cccnc3Cl)CCO2)n[nH]1 ZINC000175997238 697399748 /nfs/dbraw/zinc/39/97/48/697399748.db2.gz BKTWJBQFUTYBKB-SNVBAGLBSA-N 0 1 322.756 1.767 10 0 DDAEMN Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2 ZINC000220619012 697755360 /nfs/dbraw/zinc/75/53/60/697755360.db2.gz UZQAPTIZYBOQBA-LLVKDONJSA-N 0 1 322.409 1.464 10 0 DDAEMN O=S(=O)(/C=C\c1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000255405751 698417820 /nfs/dbraw/zinc/41/78/20/698417820.db2.gz ZGWMMGVVBVJQGK-HMWXGYMHSA-N 0 1 324.446 1.424 10 0 DDAEMN Cc1cc(N2CCN(Cc3cccc(N)c3)CC2)n2ncnc2n1 ZINC000261628415 698429464 /nfs/dbraw/zinc/42/94/64/698429464.db2.gz DEWIHVGFDZQIMO-UHFFFAOYSA-N 0 1 323.404 1.337 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000262300326 698463906 /nfs/dbraw/zinc/46/39/06/698463906.db2.gz NUFMTXDHVMBWKW-GFCCVEGCSA-N 0 1 307.394 1.892 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(OC)ccc2O)C1 ZINC000263451698 698507729 /nfs/dbraw/zinc/50/77/29/698507729.db2.gz SQMMKDLCAAFPQH-UHFFFAOYSA-N 0 1 322.361 1.068 10 0 DDAEMN C[C@@H]1C[C@@H](C)[C@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000263464077 698508242 /nfs/dbraw/zinc/50/82/42/698508242.db2.gz WGLJEQKFCXQCHC-SBHPJVOFSA-N 0 1 324.421 1.244 10 0 DDAEMN CCn1nc(C)c(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263518408 698511344 /nfs/dbraw/zinc/51/13/44/698511344.db2.gz PTLQAVJFDKXMJG-UHFFFAOYSA-N 0 1 321.425 1.024 10 0 DDAEMN O=C([O-])CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309761662 698667213 /nfs/dbraw/zinc/66/72/13/698667213.db2.gz DVXSZWATHYYQRZ-RRFJBIMHSA-N 0 1 317.389 1.281 10 0 DDAEMN O=C([O-])CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379623086 699059668 /nfs/dbraw/zinc/05/96/68/699059668.db2.gz XPGPQANHFDZFOH-CQSZACIVSA-N 0 1 305.378 1.425 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380893105 699062802 /nfs/dbraw/zinc/06/28/02/699062802.db2.gz AULQWUYPNDFFFS-QGZVFWFLSA-N 0 1 319.405 1.625 10 0 DDAEMN O=C(c1nc(Cl)ccc1Cl)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000700309127 699221017 /nfs/dbraw/zinc/22/10/17/699221017.db2.gz XMGRRWHCZPKRTQ-NXEZZACHSA-N 0 1 316.188 1.591 10 0 DDAEMN O=C(c1nc(Cl)ccc1Cl)N1CC[C@H]2OCCN[C@H]2C1 ZINC000700309130 699221077 /nfs/dbraw/zinc/22/10/77/699221077.db2.gz XMGRRWHCZPKRTQ-VHSXEESVSA-N 0 1 316.188 1.591 10 0 DDAEMN O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000700770794 699222507 /nfs/dbraw/zinc/22/25/07/699222507.db2.gz IBFSZKLXPKXFDY-NXEZZACHSA-N 0 1 316.188 1.591 10 0 DDAEMN COC(=O)c1ncsc1S(=O)(=O)NC1CC(SC)C1 ZINC000707061482 699245490 /nfs/dbraw/zinc/24/54/90/699245490.db2.gz FKVYHTYJDRDVNA-UHFFFAOYSA-N 0 1 322.433 1.102 10 0 DDAEMN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000819453085 704128048 /nfs/dbraw/zinc/12/80/48/704128048.db2.gz NJEBBRMJWYVOBA-YNEHKIRRSA-N 0 1 301.325 1.806 10 0 DDAEMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)c1C ZINC000886079335 708694140 /nfs/dbraw/zinc/69/41/40/708694140.db2.gz SULRRPOIOUCCDO-SWLSCSKDSA-N 0 1 317.393 1.658 10 0 DDAEMN O=C(CNc1ccccc1Cl)N1CCC[C@H]1c1nn[nH]n1 ZINC000900393995 709573555 /nfs/dbraw/zinc/57/35/55/709573555.db2.gz SULROWABHZNLNO-NSHDSACASA-N 0 1 306.757 1.629 10 0 DDAEMN COC(=O)/C=C(/C)CN1CCO[C@@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000929729750 713678007 /nfs/dbraw/zinc/67/80/07/713678007.db2.gz JDTJXEPQCXXUSP-NXIHDVOMSA-N 0 1 322.409 1.595 10 0 DDAEMN COC(=O)/C=C(/C)CN1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000929729750 713678008 /nfs/dbraw/zinc/67/80/08/713678008.db2.gz JDTJXEPQCXXUSP-NXIHDVOMSA-N 0 1 322.409 1.595 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)NCc1ccc(O)c(Br)c1 ZINC000081902624 192337305 /nfs/dbraw/zinc/33/73/05/192337305.db2.gz QIARQJRJJHFYQL-QMMMGPOBSA-N 0 1 322.224 1.677 10 0 DDAEMN CCCN[C@@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCO2 ZINC000081925515 192340361 /nfs/dbraw/zinc/34/03/61/192340361.db2.gz RSRAHUDVGUFTSV-ZDUSSCGKSA-N 0 1 313.419 1.933 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2scnc2C)CCN1C[C@H](C)O ZINC000249136531 282134958 /nfs/dbraw/zinc/13/49/58/282134958.db2.gz OFYSDDXVKXEXAI-UGAQRHAQSA-N 0 1 323.462 1.768 10 0 DDAEMN Nc1cc(Cl)c(F)c(S(=O)(=O)NCCc2cnc[nH]2)c1 ZINC000087542878 185227842 /nfs/dbraw/zinc/22/78/42/185227842.db2.gz XVOYOUBHNIEENI-UHFFFAOYSA-N 0 1 318.761 1.305 10 0 DDAEMN CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087676984 185230585 /nfs/dbraw/zinc/23/05/85/185230585.db2.gz ZCJQKUPTTAXFGV-CHWSQXEVSA-N 0 1 301.431 1.905 10 0 DDAEMN CN[C@@H](CS(=O)(=O)CC(=O)OC)c1ccc(C(C)C)cc1 ZINC000081976716 192347622 /nfs/dbraw/zinc/34/76/22/192347622.db2.gz GEYDERFVQHKGFP-AWEZNQCLSA-N 0 1 313.419 1.658 10 0 DDAEMN C[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 ZINC000192480110 539259631 /nfs/dbraw/zinc/25/96/31/539259631.db2.gz IIPQVSXKCQRTNV-VIFPVBQESA-N 0 1 309.316 1.213 10 0 DDAEMN COCCCS(=O)(=O)C[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000081986026 192349602 /nfs/dbraw/zinc/34/96/02/192349602.db2.gz RZVZZESEYHDMNY-GFCCVEGCSA-N 0 1 317.407 1.155 10 0 DDAEMN Cc1oc(CO)cc1S(=O)(=O)N(CCN(C)C)CC(C)C ZINC000088892480 185269947 /nfs/dbraw/zinc/26/99/47/185269947.db2.gz HSNIIAFLLASXMG-UHFFFAOYSA-N 0 1 318.439 1.289 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(CO)ccc1F ZINC000088895134 185270094 /nfs/dbraw/zinc/27/00/94/185270094.db2.gz HEUZQHFPGZAVNB-UHFFFAOYSA-N 0 1 318.414 1.280 10 0 DDAEMN CCCN(C(=O)c1ccc(Br)cc1[O-])C1C[NH2+]C1 ZINC000090292926 185289737 /nfs/dbraw/zinc/28/97/37/185289737.db2.gz BFSDBIGKPODLJK-UHFFFAOYSA-N 0 1 313.195 1.979 10 0 DDAEMN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccnc(NN)c1 ZINC000092339795 185313082 /nfs/dbraw/zinc/31/30/82/185313082.db2.gz IOJNLTFHXFWMLP-QMMMGPOBSA-N 0 1 311.367 1.012 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)N(C)C ZINC000092698365 185333769 /nfs/dbraw/zinc/33/37/69/185333769.db2.gz JDCURENHMUBNLA-AWEZNQCLSA-N 0 1 317.393 1.240 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000255437467 282257849 /nfs/dbraw/zinc/25/78/49/282257849.db2.gz PFSWAAFQBFYDJO-GEXIGZQTSA-N 0 1 316.336 1.866 10 0 DDAEMN CN[C@@H]1C(=O)Nc2cc(-n3ccnc3)c(Br)cc21 ZINC000092776124 185339902 /nfs/dbraw/zinc/33/99/02/185339902.db2.gz LFZAWVUYOSRBQM-NSHDSACASA-N 0 1 307.151 1.847 10 0 DDAEMN CN[C@@H]1C(=O)Nc2cc(-n3cccn3)c(Br)cc21 ZINC000092776101 185340005 /nfs/dbraw/zinc/34/00/05/185340005.db2.gz ZZIRFSYLBUKFOL-NSHDSACASA-N 0 1 307.151 1.847 10 0 DDAEMN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)cn1 ZINC000106903077 185461639 /nfs/dbraw/zinc/46/16/39/185461639.db2.gz SJSHOESZWYIMON-MRXNPFEDSA-N 0 1 313.401 1.879 10 0 DDAEMN Cc1nn(C)c(Oc2ccc(S(C)(=O)=O)cc2)c1C(=N)N ZINC000111359071 185588005 /nfs/dbraw/zinc/58/80/05/185588005.db2.gz BVLVKYNBHNKORR-UHFFFAOYSA-N 0 1 308.363 1.208 10 0 DDAEMN O=C([O-])c1cccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(F)(F)F)c1 ZINC000616570545 539559985 /nfs/dbraw/zinc/55/99/85/539559985.db2.gz NBCLXRSOXNCFRJ-MNOVXSKESA-N 0 1 316.279 1.509 10 0 DDAEMN Cc1[nH]n(C)c(=O)c1-c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000675053986 539562550 /nfs/dbraw/zinc/56/25/50/539562550.db2.gz MFFMPCBVTCQQMO-UHFFFAOYSA-N 0 1 301.755 1.402 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000172355513 198084675 /nfs/dbraw/zinc/08/46/75/198084675.db2.gz CTMSMTYGCFQRSE-HNNXBMFYSA-N 0 1 316.405 1.625 10 0 DDAEMN CCOC(=O)[C@@H]1CN[C@@H](Cc2ccc(OC)cc2)C(C)(C)C1=O ZINC000039131004 352299130 /nfs/dbraw/zinc/29/91/30/352299130.db2.gz GMLGGPOLRNWDMB-CABCVRRESA-N 0 1 319.401 1.984 10 0 DDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000173886345 198264503 /nfs/dbraw/zinc/26/45/03/198264503.db2.gz NZUBVMYYZQRHNC-GWCFXTLKSA-N 0 1 318.389 1.972 10 0 DDAEMN CCOC(=O)c1ccc(N2CCN(CCOC)[C@H](C)C2)nc1 ZINC000174734619 198377056 /nfs/dbraw/zinc/37/70/56/198377056.db2.gz NKNCCJDESXQZGH-CYBMUJFWSA-N 0 1 307.394 1.415 10 0 DDAEMN N[C@H]1CN(c2cccc(F)c2I)C1=O ZINC000300922152 354459123 /nfs/dbraw/zinc/45/91/23/354459123.db2.gz ZFGOTCCJNNFZMO-LURJTMIESA-N 0 1 306.078 1.104 10 0 DDAEMN CN1CCN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1c1ncc[nH]1 ZINC000328616611 354546786 /nfs/dbraw/zinc/54/67/86/354546786.db2.gz BVXKOEUNDRPZSA-CYBMUJFWSA-N 0 1 310.361 1.415 10 0 DDAEMN NC(=O)c1ccccc1NC(=O)c1[nH]c(=O)nc2ccccc21 ZINC000074743792 191353444 /nfs/dbraw/zinc/35/34/44/191353444.db2.gz SNFNGXHMKZIBPV-UHFFFAOYSA-N 0 1 308.297 1.687 10 0 DDAEMN CCCN[C@@H](C)c1csc(N2CCS(=O)(=O)CC2)n1 ZINC000080804906 192193395 /nfs/dbraw/zinc/19/33/95/192193395.db2.gz VSDPCMNZEHBDQG-JTQLQIEISA-N 0 1 303.453 1.439 10 0 DDAEMN C[C@@H](N)c1csc(=NS(=O)(=O)N2CCC(C)CC2)[nH]1 ZINC000080870119 192196978 /nfs/dbraw/zinc/19/69/78/192196978.db2.gz OSAMTZAIZRYKJB-SECBINFHSA-N 0 1 304.441 1.551 10 0 DDAEMN NCc1c(F)ccc(S(=O)(=O)N2CCSCC2)c1F ZINC000088931503 192660649 /nfs/dbraw/zinc/66/06/49/192660649.db2.gz PSYAVXOMTRUFBZ-UHFFFAOYSA-N 0 1 308.375 1.161 10 0 DDAEMN CC[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(CNC)c1 ZINC000088970261 192673854 /nfs/dbraw/zinc/67/38/54/192673854.db2.gz KXNAWMWNOOEEHU-GFCCVEGCSA-N 0 1 316.398 1.345 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)NCc1ccc(OC)cc1)N(C)C ZINC000179629170 199066444 /nfs/dbraw/zinc/06/64/44/199066444.db2.gz YGUWFUWXRXIHML-OAHLLOKOSA-N 0 1 321.421 1.158 10 0 DDAEMN COC(=O)C1(CNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000187870406 200169804 /nfs/dbraw/zinc/16/98/04/200169804.db2.gz AOZMLTYUHVEBCB-AWEZNQCLSA-N 0 1 304.390 1.229 10 0 DDAEMN C[C@H]1OCCC[C@@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000188056539 200187095 /nfs/dbraw/zinc/18/70/95/200187095.db2.gz QTJCQMBUKRFWMR-PBHICJAKSA-N 0 1 302.418 1.976 10 0 DDAEMN COc1ccc(COCCCC(=O)N2CCN[C@H](C)C2)cc1 ZINC000189013218 200335954 /nfs/dbraw/zinc/33/59/54/200335954.db2.gz HBVGJYHICIUMIY-CQSZACIVSA-N 0 1 306.406 1.812 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000195240851 201364172 /nfs/dbraw/zinc/36/41/72/201364172.db2.gz QYGQBDYHIWMAPR-CYBMUJFWSA-N 0 1 310.419 1.472 10 0 DDAEMN C[C@H](C(=O)Nc1ccc(C(N)=S)cc1)N(C)CC(C)(C)O ZINC000092966862 193189689 /nfs/dbraw/zinc/18/96/89/193189689.db2.gz TWJRFIROGHVGCN-SNVBAGLBSA-N 0 1 309.435 1.351 10 0 DDAEMN CCOC(=O)C[C@H](NC(=O)C[C@H]1COCCN1)c1ccccc1 ZINC000262310988 203258412 /nfs/dbraw/zinc/25/84/12/203258412.db2.gz BUOUDRSXFFEAGK-GJZGRUSLSA-N 0 1 320.389 1.176 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)NCC2CCC(C(=O)[O-])CC2)cs1 ZINC000093430572 193250157 /nfs/dbraw/zinc/25/01/57/193250157.db2.gz DLYHSNZJEATRHG-IDKOKCKLSA-N 0 1 311.407 1.784 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093615701 193275349 /nfs/dbraw/zinc/27/53/49/193275349.db2.gz KXMXWIFITNDSBK-JOYOIKCWSA-N 0 1 305.300 1.963 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H](Sc2nnc3ccccn32)C1 ZINC000093779481 193306606 /nfs/dbraw/zinc/30/66/06/193306606.db2.gz MZPVSKXOOVPHNX-IINYFYTJSA-N 0 1 306.391 1.635 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000094360570 193365717 /nfs/dbraw/zinc/36/57/17/193365717.db2.gz NGZDIQIUNACVLL-LLVKDONJSA-N 0 1 301.387 1.041 10 0 DDAEMN Cc1cc(Cl)c(S(=O)(=O)NCCN2CCCC2)cc1N ZINC000094638954 193387935 /nfs/dbraw/zinc/38/79/35/193387935.db2.gz PXZZPJWQYZARPX-UHFFFAOYSA-N 0 1 317.842 1.605 10 0 DDAEMN CCCN[C@H](c1cc(Cl)cnc1N)[C@@H]1CN2CCN1CC2 ZINC000094510661 193375549 /nfs/dbraw/zinc/37/55/49/193375549.db2.gz URYGTYVHOKTQFR-UONOGXRCSA-N 0 1 309.845 1.358 10 0 DDAEMN Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)sc1/C=C/C(=O)[O-] ZINC000094537718 193377861 /nfs/dbraw/zinc/37/78/61/193377861.db2.gz VLHPVCFICDUZFL-PGLGOXFNSA-N 0 1 308.403 1.836 10 0 DDAEMN Cc1cc(C(=O)N[C@@H](C)c2nn[nH]n2)sc1Br ZINC000094536848 193378095 /nfs/dbraw/zinc/37/80/95/193378095.db2.gz ZMMWOBNZIFPDMG-YFKPBYRVSA-N 0 1 316.184 1.823 10 0 DDAEMN CCN[C@H](c1cnsn1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000097313105 193706899 /nfs/dbraw/zinc/70/68/99/193706899.db2.gz WSMZJKAECBLDLG-SCVCMEIPSA-N 0 1 303.453 1.792 10 0 DDAEMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000040537618 183096123 /nfs/dbraw/zinc/09/61/23/183096123.db2.gz WYUXQLGTYRQMGY-VXGBXAGGSA-N 0 1 315.439 1.420 10 0 DDAEMN Cc1nnc(SCC(=O)[O-])n1CCCC[N@H+](C)C(C)C ZINC000041678014 183215977 /nfs/dbraw/zinc/21/59/77/183215977.db2.gz OAGWSWUBTWXFGY-UHFFFAOYSA-N 0 1 300.428 1.884 10 0 DDAEMN NC(=O)c1cccc(NS(=O)(=O)c2ccc(N)cc2F)c1 ZINC000043592701 183374786 /nfs/dbraw/zinc/37/47/86/183374786.db2.gz AYEIOSMVJORDLW-UHFFFAOYSA-N 0 1 309.322 1.308 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(c2ncc(Cl)cc2Cl)C1 ZINC000284702688 218140998 /nfs/dbraw/zinc/14/09/98/218140998.db2.gz YTTIBZNIGRVFAQ-NSHDSACASA-N 0 1 300.149 1.604 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)OCC(C)C)CC1 ZINC000109466590 194267400 /nfs/dbraw/zinc/26/74/00/194267400.db2.gz KILSRVAVOPHIIS-LBPRGKRZSA-N 0 1 301.456 1.851 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C(=O)NCCc2cccs2)CC1 ZINC000061145532 184163004 /nfs/dbraw/zinc/16/30/04/184163004.db2.gz YYPOPCXZGGBKLA-UHFFFAOYSA-N 0 1 311.407 1.093 10 0 DDAEMN C[C@@H](CCNC(=O)[C@H](N)CCS(C)(=O)=O)c1ccccc1 ZINC000061911025 184194538 /nfs/dbraw/zinc/19/45/38/184194538.db2.gz PUTYSDUCDDCHJB-GXTWGEPZSA-N 0 1 312.435 1.058 10 0 DDAEMN NC(=O)[C@@]1(Nc2ccccc2Br)CCN(C2CC2)C1 ZINC000061991014 184199821 /nfs/dbraw/zinc/19/98/21/184199821.db2.gz WCVKLUCDCNXDIL-CQSZACIVSA-N 0 1 324.222 1.953 10 0 DDAEMN CN(CCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000061993998 184200595 /nfs/dbraw/zinc/20/05/95/184200595.db2.gz SOWDKNYVXRXIKY-CQSZACIVSA-N 0 1 312.410 1.728 10 0 DDAEMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)N1CCNCC1 ZINC000062011130 184201154 /nfs/dbraw/zinc/20/11/54/184201154.db2.gz AGFRFYNDOLLJGC-NSHDSACASA-N 0 1 309.797 1.291 10 0 DDAEMN COc1ccc(CNS(=O)(=O)c2ccc(CN)s2)cn1 ZINC000062072849 184204485 /nfs/dbraw/zinc/20/44/85/184204485.db2.gz LYZIQFQLWXDOLP-UHFFFAOYSA-N 0 1 313.404 1.089 10 0 DDAEMN COCCN1CCN([C@@H](C(=O)OC)c2ccccc2C)C[C@@H]1C ZINC000248629621 285050715 /nfs/dbraw/zinc/05/07/15/285050715.db2.gz REBHYLOSOPKTGO-DOTOQJQBSA-N 0 1 320.433 1.862 10 0 DDAEMN CNC(=O)CCCN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000154082802 196937621 /nfs/dbraw/zinc/93/76/21/196937621.db2.gz FHZVNYYWYCFIAW-OAHLLOKOSA-N 0 1 305.422 1.144 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC3(C)CCC3)CCO2)n[nH]1 ZINC000120391287 195157345 /nfs/dbraw/zinc/15/73/45/195157345.db2.gz XMXKQXRUDRRUEZ-NSHDSACASA-N 0 1 307.398 1.640 10 0 DDAEMN CN(C)Cc1cncc2c1CCN(C(=O)c1cscn1)C2 ZINC000248131067 257108718 /nfs/dbraw/zinc/10/87/18/257108718.db2.gz QJFOXPZRKALZLJ-UHFFFAOYSA-N 0 1 302.403 1.798 10 0 DDAEMN Cc1noc(C[C@@H]2C[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]3O2)n1 ZINC000248004748 257111884 /nfs/dbraw/zinc/11/18/84/257111884.db2.gz GXSKTFYIGMOGFZ-IPYPFGDCSA-N 0 1 318.377 1.815 10 0 DDAEMN CC(C)C(=O)NCCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000121826223 195355256 /nfs/dbraw/zinc/35/52/56/195355256.db2.gz RSZWPWAZPJZQEX-CQSZACIVSA-N 0 1 310.442 1.028 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000075979175 406948973 /nfs/dbraw/zinc/94/89/73/406948973.db2.gz DTCZBZCVDBTGDW-RDJZCZTQSA-N 0 1 316.449 1.906 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000048983207 407112997 /nfs/dbraw/zinc/11/29/97/407112997.db2.gz INUFBRLJFAFUQN-JGVFFNPUSA-N 0 1 301.749 1.974 10 0 DDAEMN Cc1csc([C@H]2CCCN(CC(=O)N3CCN(C)CC3)C2)n1 ZINC000093169594 407195079 /nfs/dbraw/zinc/19/50/79/407195079.db2.gz MVTZMHHSQQSWIX-AWEZNQCLSA-N 0 1 322.478 1.405 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000123463659 407329556 /nfs/dbraw/zinc/32/95/56/407329556.db2.gz MVCJKXUQJCRJHZ-OAHLLOKOSA-N 0 1 308.422 1.592 10 0 DDAEMN C[C@@H]1CN(C2CCN(C(=O)Nc3ccncc3)CC2)CCO1 ZINC000098022596 407304622 /nfs/dbraw/zinc/30/46/22/407304622.db2.gz SPYZILUYEKBKTI-CYBMUJFWSA-N 0 1 304.394 1.799 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000123625751 407335186 /nfs/dbraw/zinc/33/51/86/407335186.db2.gz OIACPYNCXUOGRM-MRXNPFEDSA-N 0 1 302.422 1.531 10 0 DDAEMN CCCNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106909899 407366500 /nfs/dbraw/zinc/36/65/00/407366500.db2.gz STJWMLXBNYVPGQ-OAHLLOKOSA-N 0 1 305.422 1.192 10 0 DDAEMN Cc1cnn(CCCCCN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111229281 407401763 /nfs/dbraw/zinc/40/17/63/407401763.db2.gz UYHBFIDOKPSKSI-KRWDZBQOSA-N 0 1 317.437 1.959 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000113305523 407493837 /nfs/dbraw/zinc/49/38/37/407493837.db2.gz LDTLQHISELIZMZ-GHMZBOCLSA-N 0 1 316.373 1.822 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cnn(C(C)C)c3)CCO2)n[nH]1 ZINC000178390769 407440694 /nfs/dbraw/zinc/44/06/94/407440694.db2.gz QPWSNXASWXTRKX-ZDUSSCGKSA-N 0 1 304.398 1.718 10 0 DDAEMN C[C@H](O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000261963215 407691770 /nfs/dbraw/zinc/69/17/70/407691770.db2.gz YBJJJNPUQZNRCX-LRDDRELGSA-N 0 1 315.417 1.657 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000262031101 407717124 /nfs/dbraw/zinc/71/71/24/407717124.db2.gz ALGQGHGNUJGXSN-AWEZNQCLSA-N 0 1 305.378 1.111 10 0 DDAEMN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116322337 407744959 /nfs/dbraw/zinc/74/49/59/407744959.db2.gz VWVZTTKNWGAXTB-GJZGRUSLSA-N 0 1 304.438 1.856 10 0 DDAEMN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](N)COC)n2)cc1 ZINC000262168066 407757524 /nfs/dbraw/zinc/75/75/24/407757524.db2.gz AMBIPIKLLVUWRP-GWCFXTLKSA-N 0 1 318.377 1.450 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000262254225 407775383 /nfs/dbraw/zinc/77/53/83/407775383.db2.gz IWJAEHAWUJKYRZ-AWEZNQCLSA-N 0 1 302.378 1.079 10 0 DDAEMN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](N)COC)cc1 ZINC000262340548 407806461 /nfs/dbraw/zinc/80/64/61/407806461.db2.gz FNKSVDVDFZIVLB-ZDUSSCGKSA-N 0 1 307.394 1.517 10 0 DDAEMN CSC[C@H](CCO)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000132973731 407814502 /nfs/dbraw/zinc/81/45/02/407814502.db2.gz AZKJKWVUBJFPME-GJZGRUSLSA-N 0 1 310.463 1.390 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000262380677 407820273 /nfs/dbraw/zinc/82/02/73/407820273.db2.gz XTUZLJBEAVYLNX-RYUDHWBXSA-N 0 1 313.195 1.526 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000262392588 407822709 /nfs/dbraw/zinc/82/27/09/407822709.db2.gz YZABNTMABUTHAI-LLVKDONJSA-N 0 1 306.284 1.218 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2ccncc2)CCN1CCOC ZINC000117302014 407827557 /nfs/dbraw/zinc/82/75/57/407827557.db2.gz ZFEOMPCTOHOJJR-MRXNPFEDSA-N 0 1 305.422 1.583 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H](C)OCC3CC3)CCO2)n[nH]1 ZINC000173561292 407888617 /nfs/dbraw/zinc/88/86/17/407888617.db2.gz QDYSBVNHFDFDSL-JQWIXIFHSA-N 0 1 308.382 1.082 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N(C)c2ccccc2)CC1 ZINC000118856636 407954247 /nfs/dbraw/zinc/95/42/47/407954247.db2.gz HGPXXPJSZQTTAT-MRXNPFEDSA-N 0 1 305.422 1.038 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000262950559 407981108 /nfs/dbraw/zinc/98/11/08/407981108.db2.gz BTVKZPRQAWDOGC-LLVKDONJSA-N 0 1 314.769 1.091 10 0 DDAEMN COC(=O)c1ccc(CN2CC[C@H](N3CCOCC3)C2)s1 ZINC000119430936 408065416 /nfs/dbraw/zinc/06/54/16/408065416.db2.gz PNUYEEIIFXOHRH-LBPRGKRZSA-N 0 1 310.419 1.441 10 0 DDAEMN CC[C@@H]1CN(c2ncnc(Cl)c2NC)CCN1CCOC ZINC000136041952 408070897 /nfs/dbraw/zinc/07/08/97/408070897.db2.gz OOBRLPIFIMPASI-LLVKDONJSA-N 0 1 313.833 1.719 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(CCOC)[C@H](C)C1 ZINC000182137791 408079446 /nfs/dbraw/zinc/07/94/46/408079446.db2.gz DDYBXSAWBDNBJL-CABCVRRESA-N 0 1 300.443 1.617 10 0 DDAEMN CCCC1(CNC(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)CC1 ZINC000263264145 408082589 /nfs/dbraw/zinc/08/25/89/408082589.db2.gz QTQDLRKQKHTVBB-UHFFFAOYSA-N 0 1 311.426 1.803 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCN(C[C@@H](O)CC)CC1 ZINC000182195399 408088772 /nfs/dbraw/zinc/08/87/72/408088772.db2.gz JLNJRMBKQREELV-LSDHHAIUSA-N 0 1 300.443 1.353 10 0 DDAEMN CCc1nnc(C)cc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263418931 408136111 /nfs/dbraw/zinc/13/61/11/408136111.db2.gz KQKAXUQQUACWLN-UHFFFAOYSA-N 0 1 320.393 1.015 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cn3cc(C)ccc3n2)C1 ZINC000263513880 408161288 /nfs/dbraw/zinc/16/12/88/408161288.db2.gz ODIGIMWKYJXWDH-UHFFFAOYSA-N 0 1 316.405 1.670 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2nc3ccccc3n2C)C1 ZINC000263510731 408162814 /nfs/dbraw/zinc/16/28/14/408162814.db2.gz NGSPSKDDOOJKKQ-UHFFFAOYSA-N 0 1 316.405 1.600 10 0 DDAEMN CCc1ccccc1CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263578083 408181701 /nfs/dbraw/zinc/18/17/01/408181701.db2.gz SGKSKBIJRLASBP-MRXNPFEDSA-N 0 1 306.406 1.466 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)O1 ZINC000155726592 408201990 /nfs/dbraw/zinc/20/19/90/408201990.db2.gz PBWVNLAUROSTAL-HZMBPMFUSA-N 0 1 305.378 1.353 10 0 DDAEMN CCCCc1noc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)n1 ZINC000246306893 408212548 /nfs/dbraw/zinc/21/25/48/408212548.db2.gz ABZCEMTWQKQWAR-UONOGXRCSA-N 0 1 310.442 1.689 10 0 DDAEMN CCCCc1noc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)n1 ZINC000246306872 408213029 /nfs/dbraw/zinc/21/30/29/408213029.db2.gz ABZCEMTWQKQWAR-KGLIPLIRSA-N 0 1 310.442 1.689 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CCC(C)CC1)CC2 ZINC000126974964 161913108 /nfs/dbraw/zinc/91/31/08/161913108.db2.gz DPKCZEZUEIMIID-CQSZACIVSA-N 0 1 319.453 1.564 10 0 DDAEMN CCO[C@H](C)c1noc(CN2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000246714510 408323324 /nfs/dbraw/zinc/32/33/24/408323324.db2.gz HNUOQWKEVUAKIK-FRRDWIJNSA-N 0 1 312.414 1.054 10 0 DDAEMN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000183123344 408331305 /nfs/dbraw/zinc/33/13/05/408331305.db2.gz UDHMWRCANKHKPG-RYUDHWBXSA-N 0 1 303.366 1.770 10 0 DDAEMN CC(C)CN(C(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000246484356 408271329 /nfs/dbraw/zinc/27/13/29/408271329.db2.gz OXYKZDHPUZFNIG-DOTOQJQBSA-N 0 1 323.481 1.286 10 0 DDAEMN COC(=O)c1oc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1C ZINC000246602251 408300320 /nfs/dbraw/zinc/30/03/20/408300320.db2.gz XNADPAAFNKPVAA-ZFWWWQNUSA-N 0 1 322.405 1.527 10 0 DDAEMN C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1nnc2n1CCCC2 ZINC000135278617 162097665 /nfs/dbraw/zinc/09/76/65/162097665.db2.gz RTLJAZPPFHZKAE-GHMZBOCLSA-N 0 1 314.393 1.635 10 0 DDAEMN Cc1noc([C@@H](C)N2CCN(CCCn3ccnc3)CC2)n1 ZINC000183175644 408345533 /nfs/dbraw/zinc/34/55/33/408345533.db2.gz HKZLBOVWKOFXQO-CYBMUJFWSA-N 0 1 304.398 1.343 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N3CCN4CCC[C@H]4C3)cc12 ZINC000171585605 162225684 /nfs/dbraw/zinc/22/56/84/162225684.db2.gz VKHQOXGBILZMGX-NSHDSACASA-N 0 1 304.419 1.863 10 0 DDAEMN CCCCSCCC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173528887 162344557 /nfs/dbraw/zinc/34/45/57/162344557.db2.gz TWMVRYUWSIJMBJ-LBPRGKRZSA-N 0 1 312.439 1.936 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)n[nH]1 ZINC000173515765 162345076 /nfs/dbraw/zinc/34/50/76/162345076.db2.gz CSTFMCFVIQLKMI-AWEZNQCLSA-N 0 1 324.344 1.270 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(C)cc3C)CCO2)n[nH]1 ZINC000173523349 162345528 /nfs/dbraw/zinc/34/55/28/162345528.db2.gz IDXBQZQZEVUTMP-AWEZNQCLSA-N 0 1 300.362 1.944 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)n[nH]1 ZINC000173517784 162345947 /nfs/dbraw/zinc/34/59/47/162345947.db2.gz HOJQYVAZKTWOSZ-CQSZACIVSA-N 0 1 316.361 1.482 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccc(F)c3F)CCO2)n[nH]1 ZINC000173516786 162345968 /nfs/dbraw/zinc/34/59/68/162345968.db2.gz YUSGVUHMOHAXIR-NSHDSACASA-N 0 1 308.288 1.605 10 0 DDAEMN CC(=O)Nc1nc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cs1 ZINC000173656236 162353371 /nfs/dbraw/zinc/35/33/71/162353371.db2.gz AVSNQZBSSPPCMX-NSHDSACASA-N 0 1 322.394 1.102 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](N[C@@H](c1nccn1C)C1CC1)CC2 ZINC000183319381 408377287 /nfs/dbraw/zinc/37/72/87/408377287.db2.gz UFPWXTPBBCTLAL-SWLSCSKDSA-N 0 1 300.410 1.630 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@H]2CCCOC2)CCN1CCOC ZINC000247189238 408423711 /nfs/dbraw/zinc/42/37/11/408423711.db2.gz SFQZQLKOLJBOID-CABCVRRESA-N 0 1 313.442 1.165 10 0 DDAEMN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000248032460 408527727 /nfs/dbraw/zinc/52/77/27/408527727.db2.gz QUUNEIMNUXTHIT-GUYCJALGSA-N 0 1 323.437 1.382 10 0 DDAEMN C[C@@]1(C(N)=O)CCCCN1C[C@@H](O)COCc1ccccc1 ZINC000248586507 408592104 /nfs/dbraw/zinc/59/21/04/408592104.db2.gz JUXJCLGIOVGCAQ-WBVHZDCISA-N 0 1 306.406 1.294 10 0 DDAEMN CCNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248639160 408605191 /nfs/dbraw/zinc/60/51/91/408605191.db2.gz YVRACACHEVZOIM-YNEHKIRRSA-N 0 1 311.426 1.358 10 0 DDAEMN COCCC(C)(C)CNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248740242 408627806 /nfs/dbraw/zinc/62/78/06/408627806.db2.gz QLPAIBBRWXGDFR-KGLIPLIRSA-N 0 1 315.458 1.146 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCN1CCO[C@@H](C)C1 ZINC000249211066 408704377 /nfs/dbraw/zinc/70/43/77/408704377.db2.gz CWHHIXSZZQMISI-JONQDZQNSA-N 0 1 310.438 1.513 10 0 DDAEMN Cn1cc(-c2cc(CN3CCC[C@H](n4cncn4)C3)on2)cn1 ZINC000185000031 408734163 /nfs/dbraw/zinc/73/41/63/408734163.db2.gz HKWQQNVZQGHQIP-ZDUSSCGKSA-N 0 1 313.365 1.504 10 0 DDAEMN C[C@@H]([C@H](C)NC(=O)[C@H](N)CCS(C)(=O)=O)C1CCCCC1 ZINC000163726159 408788170 /nfs/dbraw/zinc/78/81/70/408788170.db2.gz XHKSGEWGFAIJEY-SGMGOOAPSA-N 0 1 318.483 1.470 10 0 DDAEMN CCOC(=O)N[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)C(C)C ZINC000250123193 408775268 /nfs/dbraw/zinc/77/52/68/408775268.db2.gz JGHDRRKAONIMHA-UONOGXRCSA-N 0 1 311.426 1.454 10 0 DDAEMN CCN(CC)[C@@H](C(=O)N1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000189234541 163090670 /nfs/dbraw/zinc/09/06/70/163090670.db2.gz OWGFKGJFOOBTAP-GOEBONIOSA-N 0 1 317.433 1.807 10 0 DDAEMN CCc1nnc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000195111192 163307491 /nfs/dbraw/zinc/30/74/91/163307491.db2.gz CNSMTOUTEXULIE-ZNMIVQPWSA-N 0 1 321.469 1.451 10 0 DDAEMN O=C(CSCC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195188606 163311748 /nfs/dbraw/zinc/31/17/48/163311748.db2.gz IALOFEOFWWMQLQ-OAHLLOKOSA-N 0 1 318.442 1.909 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CCC(c2cc[nH]n2)CC1 ZINC000195507993 163324731 /nfs/dbraw/zinc/32/47/31/163324731.db2.gz YZSNRBSXXQRHIH-CYBMUJFWSA-N 0 1 308.426 1.520 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(C3CC3)CC2)C1 ZINC000263317685 163949614 /nfs/dbraw/zinc/94/96/14/163949614.db2.gz ZYKKLJDNSCLLGF-UHFFFAOYSA-N 0 1 309.410 1.413 10 0 DDAEMN O=C(C/C=C/c1ccc(F)cc1)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000285585278 409498987 /nfs/dbraw/zinc/49/89/87/409498987.db2.gz BEQYOIJAMGROSQ-PYKQWIPUSA-N 0 1 316.336 1.467 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)N(C)C1 ZINC000343312090 410342731 /nfs/dbraw/zinc/34/27/31/410342731.db2.gz ZIMKBLIHLKATQL-BBRMVZONSA-N 0 1 301.390 1.546 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)CCN1C[C@@H](C)O ZINC000173362024 287165697 /nfs/dbraw/zinc/16/56/97/287165697.db2.gz KWVAHLRQENCLIL-FVQBIDKESA-N 0 1 306.406 1.024 10 0 DDAEMN CCC(CC)n1ccc(CN2CCC[C@@](O)(c3c[nH]nn3)C2)n1 ZINC000583618015 422202436 /nfs/dbraw/zinc/20/24/36/422202436.db2.gz UTTKXNWPWSATRD-INIZCTEOSA-N 0 1 318.425 1.846 10 0 DDAEMN Cc1nnc([C@H]2COCCN2C(=O)c2cc(CC(C)C)[nH]n2)o1 ZINC000583623004 422208584 /nfs/dbraw/zinc/20/85/84/422208584.db2.gz JIJLKSJLXLCOIS-CYBMUJFWSA-N 0 1 319.365 1.513 10 0 DDAEMN CCN(CC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000179164857 263354944 /nfs/dbraw/zinc/35/49/44/263354944.db2.gz NGNFKKNBQNFDBQ-GFCCVEGCSA-N 0 1 313.442 1.890 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1 ZINC000194150667 263506253 /nfs/dbraw/zinc/50/62/53/263506253.db2.gz HSYAYKGNBFIZIE-CQSZACIVSA-N 0 1 303.406 1.842 10 0 DDAEMN COc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000246805635 278059063 /nfs/dbraw/zinc/05/90/63/278059063.db2.gz BYPRHHZAXFJOBU-STQMWFEESA-N 0 1 310.419 1.552 10 0 DDAEMN CN(C(=O)c1ccc(CN)o1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000167890607 484088587 /nfs/dbraw/zinc/08/85/87/484088587.db2.gz AEOREFWMVHKXJK-GFCCVEGCSA-N 0 1 315.377 1.269 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)NCCc2nnc(-c3ccccc3)[nH]2)O1 ZINC000162959989 524383286 /nfs/dbraw/zinc/38/32/86/524383286.db2.gz TXIVXHVDIURWQC-WCQYABFASA-N 0 1 300.362 1.698 10 0 DDAEMN Cc1nn(C)cc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000158304601 527693253 /nfs/dbraw/zinc/69/32/53/527693253.db2.gz MLSSGIDXEZYJTR-SNVBAGLBSA-N 0 1 308.407 1.227 10 0 DDAEMN CCCCCCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105826065 696625187 /nfs/dbraw/zinc/62/51/87/696625187.db2.gz RFKXOKBBLCXXQI-HZPDHXFCSA-N 0 1 313.486 1.460 10 0 DDAEMN CCCCCCNC(=O)CN1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105826065 696625189 /nfs/dbraw/zinc/62/51/89/696625189.db2.gz RFKXOKBBLCXXQI-HZPDHXFCSA-N 0 1 313.486 1.460 10 0 DDAEMN COCCN1CCN(Cn2nc(C)sc2=S)C[C@H]1C ZINC000117323223 696670335 /nfs/dbraw/zinc/67/03/35/696670335.db2.gz IPLZFQWYISCGHB-SNVBAGLBSA-N 0 1 302.469 1.593 10 0 DDAEMN C[C@H](NC(=O)CNC(=O)CN)c1c(Cl)ccc(F)c1Cl ZINC000124541505 696743609 /nfs/dbraw/zinc/74/36/09/696743609.db2.gz PARIVACYVCMLCL-LURJTMIESA-N 0 1 322.167 1.385 10 0 DDAEMN COc1ccc([C@@H](C)NC[C@H]2CCCS2(=O)=O)cc1OC ZINC000126903565 696766416 /nfs/dbraw/zinc/76/64/16/696766416.db2.gz AQFXKWNGGDEUPO-DGCLKSJQSA-N 0 1 313.419 1.932 10 0 DDAEMN C/C(=C/c1ccco1)CN1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1 ZINC000229896886 697780096 /nfs/dbraw/zinc/78/00/96/697780096.db2.gz JFTFXDRSCYIUNI-GECXOHMQSA-N 0 1 324.446 1.943 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)C[C@@H]2CSCCS2)C[C@@H]1C ZINC000246858147 698356097 /nfs/dbraw/zinc/35/60/97/698356097.db2.gz VXFPUGJRTCFLSB-RWMBFGLXSA-N 0 1 318.508 1.139 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2nc3ccccc3s2)CCO1 ZINC000262188925 698458855 /nfs/dbraw/zinc/45/88/55/698458855.db2.gz YCXYVIPVCGUYJK-NSHDSACASA-N 0 1 321.402 1.518 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000262247502 698461398 /nfs/dbraw/zinc/46/13/98/698461398.db2.gz IISXJIJOZOLPHQ-HZPDHXFCSA-N 0 1 322.405 1.177 10 0 DDAEMN Cc1cccc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000262686378 698477857 /nfs/dbraw/zinc/47/78/57/698477857.db2.gz CNWHRNQJAWVBSL-UHFFFAOYSA-N 0 1 317.389 1.447 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC23CCC(CC2)C3)C1 ZINC000263201075 698496113 /nfs/dbraw/zinc/49/61/13/698496113.db2.gz HMWLMMMPJOQJSE-UHFFFAOYSA-N 0 1 323.437 1.803 10 0 DDAEMN O=C(c1occc1Br)N1CCC[C@H]1c1nn[nH]n1 ZINC000720647996 699307197 /nfs/dbraw/zinc/30/71/97/699307197.db2.gz GFKFBVJMOIMVOX-ZETCQYMHSA-N 0 1 312.127 1.533 10 0 DDAEMN CO[C@@H]1CN(Cc2ccnn2C2CCCC2)C[C@H]1c1c[nH]nn1 ZINC000886079210 708693882 /nfs/dbraw/zinc/69/38/82/708693882.db2.gz BRSYTHFMOJGTJG-GOEBONIOSA-N 0 1 316.409 1.731 10 0 DDAEMN O=C(NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O)c1ccc(F)cc1F ZINC000888095618 709212056 /nfs/dbraw/zinc/21/20/56/709212056.db2.gz UYTZDZDGBDCHAS-ZDMBXUJBSA-N 0 1 322.315 1.367 10 0 DDAEMN CCc1cccc(OCC(=O)N2CCC[C@H]2c2nn[nH]n2)c1 ZINC000900392597 709572968 /nfs/dbraw/zinc/57/29/68/709572968.db2.gz BKDXEVNJUMEHOT-ZDUSSCGKSA-N 0 1 301.350 1.505 10 0 DDAEMN O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@H]1c1nn[nH]n1 ZINC000900396891 709575975 /nfs/dbraw/zinc/57/59/75/709575975.db2.gz WKUIGOYPHHNZJC-STQMWFEESA-N 0 1 312.333 1.381 10 0 DDAEMN C[C@H](c1ccc(F)nc1)N1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000930773735 713916999 /nfs/dbraw/zinc/91/69/99/713916999.db2.gz GZMFOUHNDQMNAJ-MLGOLLRUSA-N 0 1 309.385 1.587 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)c2nc(COC)no2)CCN1C[C@H](C)O ZINC000248461345 282085707 /nfs/dbraw/zinc/08/57/07/282085707.db2.gz OYVKFYZSGMAPHY-RWMBFGLXSA-N 0 1 312.414 1.054 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248607308 282093386 /nfs/dbraw/zinc/09/33/86/282093386.db2.gz KEFREVPAFIZUCA-LXFSFDBISA-N 0 1 313.442 1.039 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(F)c(C)cc3F)CCO2)n[nH]1 ZINC000134427597 539192290 /nfs/dbraw/zinc/19/22/90/539192290.db2.gz ZZHGDBLUWMSZLR-CYBMUJFWSA-N 0 1 322.315 1.913 10 0 DDAEMN O=C(Nc1cc(Br)ccc1Cl)c1nn[n-]n1 ZINC000087444057 185225230 /nfs/dbraw/zinc/22/52/30/185225230.db2.gz SAOXBSOLFHJQNC-UHFFFAOYSA-N 0 1 302.519 1.868 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H]1CCCc2ccccc2[C@H]1N ZINC000081977464 192348260 /nfs/dbraw/zinc/34/82/60/192348260.db2.gz ANJWSWQWFMLCRH-DZGCQCFKSA-N 0 1 311.403 1.369 10 0 DDAEMN O=S(=O)(c1cncc(F)c1)N1CCNCC12CCCCC2 ZINC000088396227 185248578 /nfs/dbraw/zinc/24/85/78/185248578.db2.gz GRKJPLSRRYIEKH-UHFFFAOYSA-N 0 1 313.398 1.518 10 0 DDAEMN CCOC(=O)[C@](N)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088435073 185250036 /nfs/dbraw/zinc/25/00/36/185250036.db2.gz BPZNRCXJEDSGFV-AAEUAGOBSA-N 0 1 308.344 1.931 10 0 DDAEMN CN[C@@](CN1CCC[C@H](C(F)(F)F)C1)(C(=O)OC)C1CC1 ZINC000088435138 185250184 /nfs/dbraw/zinc/25/01/84/185250184.db2.gz XMQKYSHYDHPUHY-WCQYABFASA-N 0 1 308.344 1.802 10 0 DDAEMN COCCCS(=O)(=O)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000081985047 192349861 /nfs/dbraw/zinc/34/98/61/192349861.db2.gz VBXJLQIHFQYKSR-HNNXBMFYSA-N 0 1 315.435 1.925 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2cc(CO)cs2)CC1 ZINC000088891792 185269696 /nfs/dbraw/zinc/26/96/96/185269696.db2.gz IFRGNRKNCAYVLU-UHFFFAOYSA-N 0 1 318.464 1.345 10 0 DDAEMN CN1C(=O)CC[C@H](NCc2cc3c(c(Cl)c2)OCO3)C1=O ZINC000090027222 185278896 /nfs/dbraw/zinc/27/88/96/185278896.db2.gz BAZLZTODKYEVJT-JTQLQIEISA-N 0 1 310.737 1.306 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)CCN1C[C@@H](C)O ZINC000255311515 282246272 /nfs/dbraw/zinc/24/62/72/282246272.db2.gz AVIDJGOLVBINFR-WSXGPOFGSA-N 0 1 321.396 1.538 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000092625665 185329741 /nfs/dbraw/zinc/32/97/41/185329741.db2.gz VFBLQPWJNUMYHA-VIFPVBQESA-N 0 1 318.420 1.161 10 0 DDAEMN CCn1c(SCC(=O)[O-])nnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000092633754 185330677 /nfs/dbraw/zinc/33/06/77/185330677.db2.gz ISFCBWNUUDKACH-JTQLQIEISA-N 0 1 313.427 1.005 10 0 DDAEMN Cc1nc(C[C@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)no1 ZINC000092814270 185343708 /nfs/dbraw/zinc/34/37/08/185343708.db2.gz TUSMBGWSOODWHG-LLVKDONJSA-N 0 1 320.418 1.993 10 0 DDAEMN CCN[C@@H]1c2cc(OC)ccc2C[C@@H]1S(=O)(=O)CCOC ZINC000092859211 185347017 /nfs/dbraw/zinc/34/70/17/185347017.db2.gz QEKNNXFHOHTUGD-LSDHHAIUSA-N 0 1 313.419 1.332 10 0 DDAEMN CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CO[C@@]12C[NH+]1CCC2CC1 ZINC000669379570 539561360 /nfs/dbraw/zinc/56/13/60/539561360.db2.gz FQOYHAOULCCFKT-IAQYHMDHSA-N 0 1 312.366 1.129 10 0 DDAEMN Cc1ccn(C)c1C(=O)N1CCCC[C@@H]1c1[nH]ncc1C(N)=O ZINC000685941987 539565779 /nfs/dbraw/zinc/56/57/79/539565779.db2.gz KILOHMWSKLXEPU-GFCCVEGCSA-N 0 1 315.377 1.523 10 0 DDAEMN COc1ccc([C@H](N)C[S@](=O)C2CCOCC2)c(OC)c1 ZINC000084053255 192398327 /nfs/dbraw/zinc/39/83/27/192398327.db2.gz FKNMHTYCIQQKJC-SPLOXXLWSA-N 0 1 313.419 1.631 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1Br ZINC000149090840 186048042 /nfs/dbraw/zinc/04/80/42/186048042.db2.gz KFVNSZAQUYSMNH-GZMMTYOYSA-N 0 1 301.184 1.600 10 0 DDAEMN Cc1cc(C)cc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262910024 186323674 /nfs/dbraw/zinc/32/36/74/186323674.db2.gz JMLJBCOGKYZRDD-OAHLLOKOSA-N 0 1 320.389 1.161 10 0 DDAEMN COc1ccc(Br)c(CN[C@@H]2CCOC[C@@H]2O)c1 ZINC000623766281 366045978 /nfs/dbraw/zinc/04/59/78/366045978.db2.gz CXXAMSBXOQSETL-OLZOCXBDSA-N 0 1 316.195 1.697 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccncc3)C2=O)n(C)n1 ZINC000174343715 198322203 /nfs/dbraw/zinc/32/22/03/198322203.db2.gz SBCGEPNPEAPBIP-HIFRSBDPSA-N 0 1 313.405 1.970 10 0 DDAEMN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)(C)CN(C)C ZINC000085355198 353732633 /nfs/dbraw/zinc/73/26/33/353732633.db2.gz ULQWCLYAUIKOSZ-NSHDSACASA-N 0 1 309.435 1.701 10 0 DDAEMN COC(=O)C1(NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CCCC1 ZINC000220625963 354314033 /nfs/dbraw/zinc/31/40/33/354314033.db2.gz VIAGAWHNWFLWET-NSHDSACASA-N 0 1 305.378 1.425 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)CCCOC)n1 ZINC000080869011 192196319 /nfs/dbraw/zinc/19/63/19/192196319.db2.gz NRADFZDLQBXOGO-SECBINFHSA-N 0 1 307.441 1.592 10 0 DDAEMN COC[C@@H]1CCN(CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000081065046 192222293 /nfs/dbraw/zinc/22/22/93/192222293.db2.gz DYGNOHGJVUPOGB-LLVKDONJSA-N 0 1 307.419 1.228 10 0 DDAEMN CCNCc1c(C)oc(C)c1S(=O)(=O)N1CCOCC1 ZINC000088905962 192652047 /nfs/dbraw/zinc/65/20/47/192652047.db2.gz VNNIRIROACOBCT-UHFFFAOYSA-N 0 1 302.396 1.027 10 0 DDAEMN CNCc1cc(S(=O)(=O)N(C)[C@H](C)COC)ccc1Cl ZINC000088997332 192688847 /nfs/dbraw/zinc/68/88/47/192688847.db2.gz DLGFHZGRGBHQBH-SNVBAGLBSA-N 0 1 320.842 1.715 10 0 DDAEMN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193410890 201047440 /nfs/dbraw/zinc/04/74/40/201047440.db2.gz CDSPXARQXFZPHS-IONNQARKSA-N 0 1 308.325 1.380 10 0 DDAEMN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CN)c2F)C[C@H]1C ZINC000092113637 193161580 /nfs/dbraw/zinc/16/15/80/193161580.db2.gz RJFFPHKEVVFTIH-RKDXNWHRSA-N 0 1 304.362 1.700 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262517875 203317006 /nfs/dbraw/zinc/31/70/06/203317006.db2.gz KKQXFMZFGJIZER-RDBSUJKOSA-N 0 1 324.446 1.541 10 0 DDAEMN CS(=O)(=O)[C@@H]1CSCCN1c1cccc(F)c1CN ZINC000093395555 193243717 /nfs/dbraw/zinc/24/37/17/193243717.db2.gz BJKRFIVHRPVVLV-GFCCVEGCSA-N 0 1 304.412 1.208 10 0 DDAEMN CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776226 193305313 /nfs/dbraw/zinc/30/53/13/193305313.db2.gz AFVQCFVKAVJYAQ-QMTHXVAHSA-N 0 1 310.423 1.027 10 0 DDAEMN O=C1CNCCCN1Cc1cc(F)cc(Br)c1 ZINC000094002062 193337716 /nfs/dbraw/zinc/33/77/16/193337716.db2.gz UIMBDIZUDZUCLO-UHFFFAOYSA-N 0 1 301.159 1.910 10 0 DDAEMN C[N@@H+]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(=O)[O-])C1 ZINC000020335295 182209287 /nfs/dbraw/zinc/20/92/87/182209287.db2.gz MSURWMOYCABXBW-SECBINFHSA-N 0 1 310.375 1.552 10 0 DDAEMN C[N@H+]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(=O)[O-])C1 ZINC000020335295 182209288 /nfs/dbraw/zinc/20/92/88/182209288.db2.gz MSURWMOYCABXBW-SECBINFHSA-N 0 1 310.375 1.552 10 0 DDAEMN NC(=O)C1CCN(Cc2c(N)cccc2Br)CC1 ZINC000037401836 182886633 /nfs/dbraw/zinc/88/66/33/182886633.db2.gz OZPSEYJUGFIOHA-UHFFFAOYSA-N 0 1 312.211 1.729 10 0 DDAEMN Cc1cc(C)c(C(N)=S)c(NCCCN2CCOCC2)n1 ZINC000040510206 183086308 /nfs/dbraw/zinc/08/63/08/183086308.db2.gz KXKOTLGAOXGQLN-UHFFFAOYSA-N 0 1 308.451 1.467 10 0 DDAEMN C[C@@H](Sc1ncnc2ccccc21)C(=O)N1CCNCC1 ZINC000043403168 183358639 /nfs/dbraw/zinc/35/86/39/183358639.db2.gz SKCGELUZNRJMQP-LLVKDONJSA-N 0 1 302.403 1.542 10 0 DDAEMN CC(C)(N)c1noc(CSc2nnnn2C2CCCC2)n1 ZINC000043402779 183358934 /nfs/dbraw/zinc/35/89/34/183358934.db2.gz WFTKGIVSZMTGOG-UHFFFAOYSA-N 0 1 309.399 1.657 10 0 DDAEMN C[NH+]1CCN(C(=O)N2CCc3sccc3[C@H]2C(=O)[O-])CC1 ZINC000044593085 183425290 /nfs/dbraw/zinc/42/52/90/183425290.db2.gz JNTPUDCTRUCZKS-LBPRGKRZSA-N 0 1 309.391 1.099 10 0 DDAEMN CCOc1ccc2nc(SC[C@@H](NC)C(=O)OC)[nH]c2c1 ZINC000045555663 183515416 /nfs/dbraw/zinc/51/54/16/183515416.db2.gz UXMKLZFFNCFCTK-GFCCVEGCSA-N 0 1 309.391 1.815 10 0 DDAEMN CCN1C(=O)C[C@H](NCc2cccc(Br)c2)C1=O ZINC000104724842 194031884 /nfs/dbraw/zinc/03/18/84/194031884.db2.gz CXQFYBJPHRTAJQ-NSHDSACASA-N 0 1 311.179 1.686 10 0 DDAEMN CO[C@@H]1C[C@@H](CO)N(Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000284730622 218153122 /nfs/dbraw/zinc/15/31/22/218153122.db2.gz WWHMKNKTJSQUER-DLBZAZTESA-N 0 1 320.433 1.654 10 0 DDAEMN CCCOc1cccc(C(=O)N2CC[C@@](O)(c3c[nH]nn3)C2)c1 ZINC000284827401 218194595 /nfs/dbraw/zinc/19/45/95/218194595.db2.gz OPIODNSHZXQYAB-INIZCTEOSA-N 0 1 316.361 1.327 10 0 DDAEMN Cc1cccc(NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)c1C ZINC000105932655 194173613 /nfs/dbraw/zinc/17/36/13/194173613.db2.gz REYZIVIBOKVZPV-CABCVRRESA-N 0 1 305.422 1.551 10 0 DDAEMN COC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000106453955 194216444 /nfs/dbraw/zinc/21/64/44/194216444.db2.gz UNBTUEQKUCWTIZ-MRXNPFEDSA-N 0 1 318.417 1.571 10 0 DDAEMN O=S(=O)(C[C@@H]1CCCC[NH2+]1)[N-]c1cc(F)c(F)c(F)c1 ZINC000061120952 184162443 /nfs/dbraw/zinc/16/24/43/184162443.db2.gz IDTACYAFQBJZCK-QMMMGPOBSA-N 0 1 308.325 1.988 10 0 DDAEMN COc1cc(CNS(=O)(=O)c2ccc(CN)s2)ccn1 ZINC000062072811 184204574 /nfs/dbraw/zinc/20/45/74/184204574.db2.gz CPJZXGLIXIOOCE-UHFFFAOYSA-N 0 1 313.404 1.089 10 0 DDAEMN COCCNCc1c(Cl)cccc1N(C)CC(=O)N(C)C ZINC000062735682 184251378 /nfs/dbraw/zinc/25/13/78/184251378.db2.gz UFGXMSRCOVCDAU-UHFFFAOYSA-N 0 1 313.829 1.600 10 0 DDAEMN CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752812 184252589 /nfs/dbraw/zinc/25/25/89/184252589.db2.gz WHZOIOIZUJIMMN-FDYHWXHSSA-N 0 1 303.424 1.385 10 0 DDAEMN NC(=O)c1ccc(Cl)cc1N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000062785073 184253135 /nfs/dbraw/zinc/25/31/35/184253135.db2.gz CFIBBTFHPMOFIW-UHFFFAOYSA-N 0 1 311.769 1.036 10 0 DDAEMN Cc1cc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n[nH]1 ZINC000116780695 194769044 /nfs/dbraw/zinc/76/90/44/194769044.db2.gz CEDZDIQMZROODB-CYBMUJFWSA-N 0 1 302.382 1.479 10 0 DDAEMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3C[C@@H]3C)n2)cc1 ZINC000120599742 195198924 /nfs/dbraw/zinc/19/89/24/195198924.db2.gz QSPRUDCDSZWUSL-CABZTGNLSA-N 0 1 301.350 1.688 10 0 DDAEMN COc1ccc(-c2nc(CNC(=O)N[C@H]3C[C@@H]3C)n[nH]2)cc1 ZINC000120599742 195198926 /nfs/dbraw/zinc/19/89/26/195198926.db2.gz QSPRUDCDSZWUSL-CABZTGNLSA-N 0 1 301.350 1.688 10 0 DDAEMN CCO[C@H](C)c1noc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000120704679 195220328 /nfs/dbraw/zinc/22/03/28/195220328.db2.gz HNUOQWKEVUAKIK-JHJVBQTASA-N 0 1 312.414 1.054 10 0 DDAEMN COCCN1CCN(Cc2ccccc2NC(C)=O)C[C@@H]1C ZINC000120846765 195250244 /nfs/dbraw/zinc/25/02/44/195250244.db2.gz UCWJXKLPIZTIEU-AWEZNQCLSA-N 0 1 305.422 1.798 10 0 DDAEMN COCC(=O)N1CC[C@@H]2CO[C@@H](CN(C)Cc3ccco3)[C@@H]2C1 ZINC000248142195 257108503 /nfs/dbraw/zinc/10/85/03/257108503.db2.gz UKNNYGSTPDZTME-BMFZPTHFSA-N 0 1 322.405 1.221 10 0 DDAEMN Cc1nc([C@@H]2C[C@H]3CCN(C(=O)c4cscn4)C[C@@H]3O2)n[nH]1 ZINC000248049668 257109526 /nfs/dbraw/zinc/10/95/26/257109526.db2.gz RUGPIBMGUCEGPM-USWWRNFRSA-N 0 1 319.390 1.562 10 0 DDAEMN O=S(=O)(NCC[C@@H]1CCOC12CN(C1CCC1)C2)C1CC1 ZINC000247329284 257120533 /nfs/dbraw/zinc/12/05/33/257120533.db2.gz OHBJPNLMGHUSGP-GFCCVEGCSA-N 0 1 314.451 1.102 10 0 DDAEMN CC1(C)S[C@@H](CNC(=O)Cc2ccccc2)[NH2+][C@H]1C(=O)[O-] ZINC000001639581 406674251 /nfs/dbraw/zinc/67/42/51/406674251.db2.gz LRWFMQCGNBOTQP-STQMWFEESA-N 0 1 308.403 1.240 10 0 DDAEMN NCc1nc(Cn2cc(I)cn2)cs1 ZINC000070678893 406820585 /nfs/dbraw/zinc/82/05/85/406820585.db2.gz RBDPSFRLTXCUPM-UHFFFAOYSA-N 0 1 320.159 1.451 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000123393218 407327830 /nfs/dbraw/zinc/32/78/30/407327830.db2.gz ZENUKMIBMSJNTG-QGZVFWFLSA-N 0 1 324.396 1.510 10 0 DDAEMN CCCn1nc(C)c(CN2CCN(C[C@H](O)CC)CC2)c1C ZINC000123476033 407329786 /nfs/dbraw/zinc/32/97/86/407329786.db2.gz YKOMZCAOMAEGOJ-MRXNPFEDSA-N 0 1 308.470 1.798 10 0 DDAEMN Cc1nnc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)[nH]1 ZINC000103253662 407334719 /nfs/dbraw/zinc/33/47/19/407334719.db2.gz COMLMDSGWOZTHV-CYBMUJFWSA-N 0 1 315.377 1.815 10 0 DDAEMN Cc1n[nH]c(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)n1 ZINC000103253662 407334720 /nfs/dbraw/zinc/33/47/20/407334720.db2.gz COMLMDSGWOZTHV-CYBMUJFWSA-N 0 1 315.377 1.815 10 0 DDAEMN CCc1nccn1[C@H]1CCCN(CC(=O)NC2CCOCC2)C1 ZINC000105897942 407357168 /nfs/dbraw/zinc/35/71/68/407357168.db2.gz HNNIRPALMNWZPW-HNNXBMFYSA-N 0 1 320.437 1.378 10 0 DDAEMN COc1ccccc1NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000112883565 407442146 /nfs/dbraw/zinc/44/21/46/407442146.db2.gz MKIOXASQFXYWNQ-AWEZNQCLSA-N 0 1 303.406 1.804 10 0 DDAEMN CCC[C@H](C(=O)N[C@@H](C)C(=O)NCc1ccccc1)N(C)C ZINC000178652394 407530479 /nfs/dbraw/zinc/53/04/79/407530479.db2.gz LDKAFBARETVJLS-DZGCQCFKSA-N 0 1 305.422 1.538 10 0 DDAEMN COCC1=CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000186194508 407601328 /nfs/dbraw/zinc/60/13/28/407601328.db2.gz YLRJJUPPDMOYGR-QGZVFWFLSA-N 0 1 302.418 1.964 10 0 DDAEMN CCO[C@@H]1C[C@@H](N[C@H](C(N)=O)c2ccccc2)C12CCOCC2 ZINC000186228771 407612403 /nfs/dbraw/zinc/61/24/03/407612403.db2.gz VUVBASPIMGVRLR-OAGGEKHMSA-N 0 1 318.417 1.777 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000130044866 407646812 /nfs/dbraw/zinc/64/68/12/407646812.db2.gz PJIMXOKZDPYRCT-LBPRGKRZSA-N 0 1 301.350 1.973 10 0 DDAEMN CCN(CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1)C1CC1 ZINC000152721232 407676719 /nfs/dbraw/zinc/67/67/19/407676719.db2.gz PJFLYYDJODNMKQ-OAHLLOKOSA-N 0 1 319.453 1.618 10 0 DDAEMN CCOC(=O)c1cc2cc(NC(=O)[C@H](N)COC)ccc2s1 ZINC000262036510 407720673 /nfs/dbraw/zinc/72/06/73/407720673.db2.gz FRKDDZIQGGZXFW-LLVKDONJSA-N 0 1 322.386 1.990 10 0 DDAEMN NC(=O)[C@@H](N)c1ccc(Br)c(Br)c1 ZINC000236310896 407726015 /nfs/dbraw/zinc/72/60/15/407726015.db2.gz VNKQBXQAJGCDII-ZETCQYMHSA-N 0 1 307.973 1.697 10 0 DDAEMN COC[C@H](N)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000262181664 407759939 /nfs/dbraw/zinc/75/99/39/407759939.db2.gz BPEGVPZNSSUBNI-INIZCTEOSA-N 0 1 314.385 1.822 10 0 DDAEMN O=C(C[C@@H]1CSCCS1)N1CCN2CCCC[C@@H]2C1 ZINC000179261100 407761523 /nfs/dbraw/zinc/76/15/23/407761523.db2.gz PNCFAFJOOWPIGU-CHWSQXEVSA-N 0 1 300.493 1.922 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000262206476 407767060 /nfs/dbraw/zinc/76/70/60/407767060.db2.gz DNZDMFHZYCYQDR-BMIGLBTASA-N 0 1 320.368 1.471 10 0 DDAEMN COCCN1CCN(c2cncc(OCC(C)C)n2)C[C@@H]1C ZINC000153286089 407791545 /nfs/dbraw/zinc/79/15/45/407791545.db2.gz MUKOEHFKSIFKGT-AWEZNQCLSA-N 0 1 308.426 1.668 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000262368927 407814571 /nfs/dbraw/zinc/81/45/71/407814571.db2.gz WLMGGCHJZYNYDY-AWEZNQCLSA-N 0 1 319.336 1.603 10 0 DDAEMN CCOCCN1CCN(C(=O)CC2CCOCC2)C[C@@H]1CC ZINC000117261589 407818980 /nfs/dbraw/zinc/81/89/80/407818980.db2.gz VAWVPQJCBPUSFL-INIZCTEOSA-N 0 1 312.454 1.762 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(OC)cc2)CCN1CCOC ZINC000117306859 407828114 /nfs/dbraw/zinc/82/81/14/407828114.db2.gz WWCDMRBMZNBUAG-INIZCTEOSA-N 0 1 320.433 1.807 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262516387 407854047 /nfs/dbraw/zinc/85/40/47/407854047.db2.gz LKSFGJZKMUJGGW-ZIAGYGMSSA-N 0 1 313.442 1.162 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173524846 407883583 /nfs/dbraw/zinc/88/35/83/407883583.db2.gz JDTAVQWJSAJUSB-CYBMUJFWSA-N 0 1 320.324 1.231 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2ccccc2)C1 ZINC000262681813 407897086 /nfs/dbraw/zinc/89/70/86/407897086.db2.gz ASYQTFSUQOQQRP-UHFFFAOYSA-N 0 1 302.374 1.744 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cncc(F)c2)C1 ZINC000262682625 407898666 /nfs/dbraw/zinc/89/86/66/407898666.db2.gz BBTXLHVXQYPPMJ-UHFFFAOYSA-N 0 1 321.352 1.278 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n[nH]1 ZINC000173875424 407900904 /nfs/dbraw/zinc/90/09/04/407900904.db2.gz ITNNGIDRRNLFEE-DOMZBBRYSA-N 0 1 306.410 1.155 10 0 DDAEMN C[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000181386441 407990467 /nfs/dbraw/zinc/99/04/67/407990467.db2.gz WRHWLFQICSFFGS-MCMMXHMISA-N 0 1 318.402 1.910 10 0 DDAEMN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](N)COC)CC2 ZINC000263242434 408073057 /nfs/dbraw/zinc/07/30/57/408073057.db2.gz LQVIVTSQHWREOI-CQSZACIVSA-N 0 1 322.405 1.342 10 0 DDAEMN COC(=O)CCN1CCN(Cc2nnc(C(C)C)n2C)[C@@H](C)C1 ZINC000182118220 408078176 /nfs/dbraw/zinc/07/81/76/408078176.db2.gz QQVVSLNAKJFFPY-ZDUSSCGKSA-N 0 1 323.441 1.008 10 0 DDAEMN CN(Cc1ccccc1F)C(=O)CN1CCN2CCCC[C@H]2C1 ZINC000246255805 408194973 /nfs/dbraw/zinc/19/49/73/408194973.db2.gz XPQLJUDOFKNFGN-INIZCTEOSA-N 0 1 319.424 1.954 10 0 DDAEMN C[C@@H](C(=O)NCc1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000246218667 408182505 /nfs/dbraw/zinc/18/25/05/408182505.db2.gz QALLLYIDTFWSQW-KBPBESRZSA-N 0 1 307.463 1.923 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000190341316 408223462 /nfs/dbraw/zinc/22/34/62/408223462.db2.gz AHVHYTNGJGMYSN-HUUCEWRRSA-N 0 1 319.380 1.849 10 0 DDAEMN Cc1noc([C@H](C)N2CCN(CCCn3ccnc3)CC2)n1 ZINC000183175664 408344875 /nfs/dbraw/zinc/34/48/75/408344875.db2.gz HKZLBOVWKOFXQO-ZDUSSCGKSA-N 0 1 304.398 1.343 10 0 DDAEMN COc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173547673 162347490 /nfs/dbraw/zinc/34/74/90/162347490.db2.gz BRENHEITIZIICA-CYBMUJFWSA-N 0 1 302.334 1.335 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CCCCSC)CCO2)n[nH]1 ZINC000173580487 162349780 /nfs/dbraw/zinc/34/97/80/162349780.db2.gz YNHMJUBYEPSDFR-NSHDSACASA-N 0 1 312.439 1.800 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCc3ccccc3O)CCO2)n[nH]1 ZINC000173605826 162350975 /nfs/dbraw/zinc/35/09/75/162350975.db2.gz OVAOQYJCLXEETA-CQSZACIVSA-N 0 1 316.361 1.351 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247351824 408457359 /nfs/dbraw/zinc/45/73/59/408457359.db2.gz JSPMNXITAPHUGL-PVAVHDDUSA-N 0 1 307.482 1.955 10 0 DDAEMN O=S(=O)(c1c(F)cc(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000247513291 408483093 /nfs/dbraw/zinc/48/30/93/408483093.db2.gz QCHLOXKSUKFBAZ-JTQLQIEISA-N 0 1 320.336 1.573 10 0 DDAEMN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cnccc1N(C)C ZINC000183848401 408500485 /nfs/dbraw/zinc/50/04/85/408500485.db2.gz ALEGAJWJGOOHTK-LLVKDONJSA-N 0 1 307.394 1.950 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2c(C)noc2C)CCN1C[C@H](C)O ZINC000248429567 408566418 /nfs/dbraw/zinc/56/64/18/408566418.db2.gz AELSGQILVBYJRE-SMDDNHRTSA-N 0 1 324.425 1.278 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(C)c(-n2cnnn2)c1)N(C)C ZINC000161513340 408611017 /nfs/dbraw/zinc/61/10/17/408611017.db2.gz URICTJTURGUAHF-ZDUSSCGKSA-N 0 1 302.382 1.640 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC(Nc2cccnn2)CC1 ZINC000177501652 408640319 /nfs/dbraw/zinc/64/03/19/408640319.db2.gz AZKMDGYSJDKGIH-UHFFFAOYSA-N 0 1 321.425 1.878 10 0 DDAEMN O=S(=O)(c1c[nH]c2cccc(F)c21)N1CCN2CCC[C@H]2C1 ZINC000248897079 408656193 /nfs/dbraw/zinc/65/61/93/408656193.db2.gz BSGISFOGRRMXPU-NSHDSACASA-N 0 1 323.393 1.776 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCOC(C)C)CCN1C[C@@H](C)O ZINC000184696237 408670876 /nfs/dbraw/zinc/67/08/76/408670876.db2.gz JWFOKFITMIEQIX-HUUCEWRRSA-N 0 1 315.458 1.288 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2nccs2)CCN1C[C@@H](C)O ZINC000184885704 408710341 /nfs/dbraw/zinc/71/03/41/408710341.db2.gz PCIHHXACZZATPF-VXGBXAGGSA-N 0 1 312.439 1.130 10 0 DDAEMN CCCCOC[C@H](O)CN1CCC[C@H](NC(=O)OCC)C1 ZINC000193372327 408716881 /nfs/dbraw/zinc/71/68/81/408716881.db2.gz DODMHHQGPIFYMH-UONOGXRCSA-N 0 1 302.415 1.375 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ncccc3C)CCO2)n[nH]1 ZINC000178012721 408757549 /nfs/dbraw/zinc/75/75/49/408757549.db2.gz LMKBTVWKYNFTCO-LLVKDONJSA-N 0 1 316.365 1.676 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3c[nH]nc3C(C)C)CCO2)n[nH]1 ZINC000189450623 163101576 /nfs/dbraw/zinc/10/15/76/163101576.db2.gz LCXZYSJJTSKBDM-NSHDSACASA-N 0 1 304.354 1.173 10 0 DDAEMN CCCCOC[C@H](O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000195175177 163310015 /nfs/dbraw/zinc/31/00/15/163310015.db2.gz XTOOOICUVUINNU-OAHLLOKOSA-N 0 1 300.443 1.354 10 0 DDAEMN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CNc2ccccn2)C1 ZINC000195515607 163325934 /nfs/dbraw/zinc/32/59/34/163325934.db2.gz ZRMMDSIMUONLCN-CHWSQXEVSA-N 0 1 319.409 1.050 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(c2ccc(Br)cn2)C1 ZINC000284505773 409349467 /nfs/dbraw/zinc/34/94/67/409349467.db2.gz KTYCPEQLWWZJSM-LLVKDONJSA-N 0 1 310.155 1.060 10 0 DDAEMN CO[C@H]1C[C@@H](CN(C)S(=O)(=O)CC2CCCC2)N(C)C1 ZINC000343203256 410233085 /nfs/dbraw/zinc/23/30/85/410233085.db2.gz UXGLPWZKAJHHQT-KBPBESRZSA-N 0 1 304.456 1.157 10 0 DDAEMN COc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000344113186 410964646 /nfs/dbraw/zinc/96/46/46/410964646.db2.gz GRUDOPNEHSAUEL-KBPBESRZSA-N 0 1 322.405 1.252 10 0 DDAEMN Cc1nc(C)c(F)c(NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)n1 ZINC000527564013 417257526 /nfs/dbraw/zinc/25/75/26/417257526.db2.gz JQRKFZDNVQWQBG-VWYCJHECSA-N 0 1 306.345 1.317 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193071534 222143063 /nfs/dbraw/zinc/14/30/63/222143063.db2.gz WOFKFKURJMKBHD-CYBMUJFWSA-N 0 1 304.394 1.237 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C(C)C)CCO2)n[nH]1 ZINC000365495861 418868079 /nfs/dbraw/zinc/86/80/79/418868079.db2.gz FKNULCAMEWZQBZ-OBJOEFQTSA-N 0 1 322.409 1.328 10 0 DDAEMN CCCC[C@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630571090 422185963 /nfs/dbraw/zinc/18/59/63/422185963.db2.gz JGECJRGMUPYGLF-GJZGRUSLSA-N 0 1 321.421 1.205 10 0 DDAEMN CCCC[C@H](NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C(=O)[O-] ZINC000630571090 422185968 /nfs/dbraw/zinc/18/59/68/422185968.db2.gz JGECJRGMUPYGLF-GJZGRUSLSA-N 0 1 321.421 1.205 10 0 DDAEMN COCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630652889 422244059 /nfs/dbraw/zinc/24/40/59/422244059.db2.gz ZNXYBDITESLHEI-CABCVRRESA-N 0 1 320.389 1.257 10 0 DDAEMN COCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630652889 422244066 /nfs/dbraw/zinc/24/40/66/422244066.db2.gz ZNXYBDITESLHEI-CABCVRRESA-N 0 1 320.389 1.257 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@@H](C)CCCOC)CCN1CCOC ZINC000181948609 263371388 /nfs/dbraw/zinc/37/13/88/263371388.db2.gz OMZGADVKMPJZOQ-GJZGRUSLSA-N 0 1 300.443 1.618 10 0 DDAEMN COC[C@@H]1C[C@@H](OC)CN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000344357573 272007125 /nfs/dbraw/zinc/00/71/25/272007125.db2.gz DGXWZJHRXPYOFM-JKSUJKDBSA-N 0 1 324.396 1.520 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cn(C)nc2C(C)C)C1 ZINC000262838327 276315375 /nfs/dbraw/zinc/31/53/75/276315375.db2.gz TUHIWCCZUHWCQM-UHFFFAOYSA-N 0 1 322.409 1.211 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cccnc2)CCN1C[C@H](C)O ZINC000247018421 282029316 /nfs/dbraw/zinc/02/93/16/282029316.db2.gz WPLUIXKALJKSON-WWCKUISVSA-N 0 1 303.406 1.398 10 0 DDAEMN C[C@H](C(=O)NC1CCCC1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246489628 289347633 /nfs/dbraw/zinc/34/76/33/289347633.db2.gz PHVMEZRKMHYUGX-FMKPAKJESA-N 0 1 309.454 1.086 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCOCC2(CCCC2)C1 ZINC000367488996 307095159 /nfs/dbraw/zinc/09/51/59/307095159.db2.gz HVRGEPRQAJCBAN-GFCCVEGCSA-N 0 1 304.394 1.329 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCOCC2(CCCC2)C1 ZINC000367488996 307095160 /nfs/dbraw/zinc/09/51/60/307095160.db2.gz HVRGEPRQAJCBAN-GFCCVEGCSA-N 0 1 304.394 1.329 10 0 DDAEMN O[C@@H](CN1CCC[C@H](n2cncn2)C1)c1ccc(F)c(F)c1 ZINC000105898922 696625691 /nfs/dbraw/zinc/62/56/91/696625691.db2.gz BZMKGHUNLPVUSN-WFASDCNBSA-N 0 1 308.332 1.927 10 0 DDAEMN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000113444833 696657251 /nfs/dbraw/zinc/65/72/51/696657251.db2.gz RIXKSAUGFUBCTJ-VXGBXAGGSA-N 0 1 312.373 1.232 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000113444833 696657252 /nfs/dbraw/zinc/65/72/52/696657252.db2.gz RIXKSAUGFUBCTJ-VXGBXAGGSA-N 0 1 312.373 1.232 10 0 DDAEMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000183634935 697491095 /nfs/dbraw/zinc/49/10/95/697491095.db2.gz NEOIBZQKFQLIIO-BBBLOLIVSA-N 0 1 310.316 1.325 10 0 DDAEMN Cn1c(COC(=O)CCCCc2cn[nH]n2)nnc1C1CC1 ZINC000188295563 697556355 /nfs/dbraw/zinc/55/63/55/697556355.db2.gz HVSNSILPTPIELI-UHFFFAOYSA-N 0 1 304.354 1.267 10 0 DDAEMN COCc1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000192527846 697631814 /nfs/dbraw/zinc/63/18/14/697631814.db2.gz BMPABZZGISRVST-ZIAGYGMSSA-N 0 1 321.421 1.752 10 0 DDAEMN C[C@]1(C(=O)N[C@H]2CN3CCC2CC3)CC(c2ccccc2)=NO1 ZINC000222582901 697758062 /nfs/dbraw/zinc/75/80/62/697758062.db2.gz YMMYBETXZIQRQD-FUHWJXTLSA-N 0 1 313.401 1.780 10 0 DDAEMN Cc1sc2ncnc(N(C)CC(=O)N3CCNCC3)c2c1C ZINC000261813852 698439137 /nfs/dbraw/zinc/43/91/37/698439137.db2.gz ADTYCGQDONSYTH-UHFFFAOYSA-N 0 1 319.434 1.176 10 0 DDAEMN CCOC(=O)C[C@H](NC(=O)[C@@H](N)COC)c1ccccc1C ZINC000262220403 698459749 /nfs/dbraw/zinc/45/97/49/698459749.db2.gz FRPCNLRYWGFEDW-KBPBESRZSA-N 0 1 308.378 1.079 10 0 DDAEMN COC[C@H](N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000262288110 698462706 /nfs/dbraw/zinc/46/27/06/698462706.db2.gz MNZQISKNOMQESF-LBPRGKRZSA-N 0 1 315.776 1.101 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000262402091 698467886 /nfs/dbraw/zinc/46/78/86/698467886.db2.gz ZWDPRDDIKCRUNZ-TZMCWYRMSA-N 0 1 324.421 1.881 10 0 DDAEMN CCOc1cc(Br)ccc1NC(=O)[C@@H](N)COC ZINC000262496643 698472139 /nfs/dbraw/zinc/47/21/39/698472139.db2.gz IFABORPXELYRSO-VIFPVBQESA-N 0 1 317.183 1.760 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccccc2O)C1 ZINC000263407574 698505243 /nfs/dbraw/zinc/50/52/43/698505243.db2.gz IATJCUUZGACYIU-UHFFFAOYSA-N 0 1 320.389 1.379 10 0 DDAEMN CCn1ccnc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705672859 699241307 /nfs/dbraw/zinc/24/13/07/699241307.db2.gz DUBDGPSSRJEYTB-QWHCGFSZSA-N 0 1 324.425 1.220 10 0 DDAEMN C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720657653 699307678 /nfs/dbraw/zinc/30/76/78/699307678.db2.gz QGNDFEHCNRSCQR-WCQYABFASA-N 0 1 301.350 1.469 10 0 DDAEMN COc1ccc([C@H](C)C(=O)N2CCC(c3nn[nH]n3)CC2)cc1 ZINC000737073758 699736271 /nfs/dbraw/zinc/73/62/71/699736271.db2.gz SPUQXPKHQORWSX-NSHDSACASA-N 0 1 315.377 1.718 10 0 DDAEMN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@H]1c1nn[nH]n1 ZINC000819453084 704128109 /nfs/dbraw/zinc/12/81/09/704128109.db2.gz NJEBBRMJWYVOBA-XQQFMLRXSA-N 0 1 301.325 1.806 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H](N3CCC3)C2)C1 ZINC000912910835 713121709 /nfs/dbraw/zinc/12/17/09/713121709.db2.gz SXJLZJSLYBNWSP-KBPBESRZSA-N 0 1 323.437 1.550 10 0 DDAEMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000248556614 282090315 /nfs/dbraw/zinc/09/03/15/282090315.db2.gz BVJDNCABNJCDGU-SWLSCSKDSA-N 0 1 313.405 1.930 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCOC[C@H]2C)C[C@H]1CC ZINC000248740498 282104384 /nfs/dbraw/zinc/10/43/84/282104384.db2.gz DDUHBOJKXCGYGY-BZUAXINKSA-N 0 1 312.454 1.618 10 0 DDAEMN Cc1cc(C(=O)NCCc2nc[nH]n2)sc1Br ZINC000081791663 192324515 /nfs/dbraw/zinc/32/45/15/192324515.db2.gz CSDNMGTXQSCLEH-UHFFFAOYSA-N 0 1 315.196 1.910 10 0 DDAEMN C[NH2+][C@H]1CCC2(C[C@H]1Sc1nc(C)cc(=O)[n-]1)OCCO2 ZINC000081868714 192332931 /nfs/dbraw/zinc/33/29/31/192332931.db2.gz OMNWMJHSKUYOKR-WDEREUQCSA-N 0 1 311.407 1.054 10 0 DDAEMN C[C@H](CS(C)(=O)=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000081901503 192335652 /nfs/dbraw/zinc/33/56/52/192335652.db2.gz DBAYRJZMQLLPGB-NEPJUHHUSA-N 0 1 313.419 1.932 10 0 DDAEMN CC[C@@H](C)S(=O)(=O)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000081938589 192343200 /nfs/dbraw/zinc/34/32/00/192343200.db2.gz JJUGZVRIXSXRPV-DGCLKSJQSA-N 0 1 313.419 1.932 10 0 DDAEMN CCS(=O)(=O)CCC[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612641 185229314 /nfs/dbraw/zinc/22/93/14/185229314.db2.gz UXNGRLJEBUEODS-CQSZACIVSA-N 0 1 311.403 1.495 10 0 DDAEMN CCS(=O)(=O)CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612641 185229315 /nfs/dbraw/zinc/22/93/15/185229315.db2.gz UXNGRLJEBUEODS-CQSZACIVSA-N 0 1 311.403 1.495 10 0 DDAEMN CCCc1nsc(N2CCN([C@@H](CC)C(N)=S)CC2)n1 ZINC000087639956 185229810 /nfs/dbraw/zinc/22/98/10/185229810.db2.gz CJGSASCFEQBFHV-JTQLQIEISA-N 0 1 313.496 1.677 10 0 DDAEMN CCCC1CCN(C(=O)c2[nH]nc(C)c2S(N)(=O)=O)CC1 ZINC000087899673 185236232 /nfs/dbraw/zinc/23/62/32/185236232.db2.gz NIPZPQBYOMLXDV-UHFFFAOYSA-N 0 1 314.411 1.018 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1I ZINC000088002577 185237849 /nfs/dbraw/zinc/23/78/49/185237849.db2.gz UGARXRPLGVGTJW-MRVPVSSYSA-N 0 1 320.130 1.203 10 0 DDAEMN CNCc1nnnn1-c1cc(Cl)ccc1Br ZINC000088123591 185240085 /nfs/dbraw/zinc/24/00/85/185240085.db2.gz PBJBOWKXZZEVEI-UHFFFAOYSA-N 0 1 302.563 1.798 10 0 DDAEMN Cc1n[nH]cc1S(=O)(=O)Nc1ncccc1Br ZINC000088447309 185251233 /nfs/dbraw/zinc/25/12/33/185251233.db2.gz XIBULPDNICZZJR-UHFFFAOYSA-N 0 1 317.168 1.676 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N2C[C@@H](C)OC(C)(C)C2)o1 ZINC000088544264 185256613 /nfs/dbraw/zinc/25/66/13/185256613.db2.gz QSHSYTAHXHXRLT-SNVBAGLBSA-N 0 1 302.396 1.187 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(C)CC(F)(F)F)o1 ZINC000088543979 185256691 /nfs/dbraw/zinc/25/66/91/185256691.db2.gz ZFXVIJSWZKZQCV-UHFFFAOYSA-N 0 1 300.302 1.572 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)NCc2cnc[nH]2)cc1Cl ZINC000088750440 185263957 /nfs/dbraw/zinc/26/39/57/185263957.db2.gz OCSPGVDWTKNIJN-UHFFFAOYSA-N 0 1 300.771 1.432 10 0 DDAEMN N[C@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989960 192350636 /nfs/dbraw/zinc/35/06/36/192350636.db2.gz PILDAWMKPWWPKL-HOTGVXAUSA-N 0 1 309.431 1.985 10 0 DDAEMN Cc1cncc(/C=C\C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000254952606 282220195 /nfs/dbraw/zinc/22/01/95/282220195.db2.gz UHGZWQXOJFFWJC-VQGNRHNMSA-N 0 1 303.406 1.317 10 0 DDAEMN C[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389393 185293969 /nfs/dbraw/zinc/29/39/69/185293969.db2.gz JTEUKDSJQUMJTF-RYUDHWBXSA-N 0 1 309.753 1.519 10 0 DDAEMN C[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090389393 185293970 /nfs/dbraw/zinc/29/39/70/185293970.db2.gz JTEUKDSJQUMJTF-RYUDHWBXSA-N 0 1 309.753 1.519 10 0 DDAEMN COCCC[S@@](=O)C[C@@H](N)c1cc(OC)ccc1OC ZINC000081998902 192353795 /nfs/dbraw/zinc/35/37/95/192353795.db2.gz XYVCOJVSRYMLEV-XCLFUZPHSA-N 0 1 301.408 1.489 10 0 DDAEMN Cc1nn(C)c2c1nc(SCC(=O)[O-])n2[C@H]1CC[N@@H+](C)C1 ZINC000092539479 185324787 /nfs/dbraw/zinc/32/47/87/185324787.db2.gz FTHFQEVTCNGSFU-VIFPVBQESA-N 0 1 309.395 1.132 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccnc(NC)c1 ZINC000092672999 185333157 /nfs/dbraw/zinc/33/31/57/185333157.db2.gz HDWKGYJHNDNZCD-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1F ZINC000092627828 185330590 /nfs/dbraw/zinc/33/05/90/185330590.db2.gz SYUAFPBBIFWPDD-LBPRGKRZSA-N 0 1 300.399 1.931 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2cnc[nH]2)CC1 ZINC000616664850 362775142 /nfs/dbraw/zinc/77/51/42/362775142.db2.gz BQCJBGDMRGHHFW-CQSZACIVSA-N 0 1 307.375 1.562 10 0 DDAEMN CCCNC(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725271644 539570003 /nfs/dbraw/zinc/57/00/03/539570003.db2.gz JHYXDKCTYHXUJT-PWSUYJOCSA-N 0 1 311.455 1.645 10 0 DDAEMN CCOCCN1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1CC ZINC000188035460 186247167 /nfs/dbraw/zinc/24/71/67/186247167.db2.gz FHQGFQMWBMMIQC-KXPUMZMLSA-N 0 1 305.422 1.987 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cccnc3Cl)CCO2)n[nH]1 ZINC000173685828 198240590 /nfs/dbraw/zinc/24/05/90/198240590.db2.gz KLYYCZLOBNCRRY-LLVKDONJSA-N 0 1 307.785 1.989 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000173886333 198265377 /nfs/dbraw/zinc/26/53/77/198265377.db2.gz NZUBVMYYZQRHNC-MFKMUULPSA-N 0 1 318.389 1.972 10 0 DDAEMN CC[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)CCN1CCOC ZINC000174737130 198378350 /nfs/dbraw/zinc/37/83/50/198378350.db2.gz IAFNAFUJWWZRNI-OAHLLOKOSA-N 0 1 320.437 1.330 10 0 DDAEMN CC(C)c1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)n[nH]1 ZINC000328634602 354555097 /nfs/dbraw/zinc/55/50/97/354555097.db2.gz UGHGSZZEPLICGV-CYBMUJFWSA-N 0 1 302.382 1.385 10 0 DDAEMN CCn1cnnc1[C@H]1CN(Cc2cnccc2N(C)C)CCO1 ZINC000328623343 354549552 /nfs/dbraw/zinc/54/95/52/354549552.db2.gz BWYMYHIUZSSEJF-OAHLLOKOSA-N 0 1 316.409 1.333 10 0 DDAEMN CN(c1nc(CNC(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000079943653 191986789 /nfs/dbraw/zinc/98/67/89/191986789.db2.gz LFKDVPWNMRXADJ-NSHDSACASA-N 0 1 317.480 1.655 10 0 DDAEMN C[C@H](N)c1csc(=NS(=O)(=O)N2CCC(C)CC2)[nH]1 ZINC000080870125 192196472 /nfs/dbraw/zinc/19/64/72/192196472.db2.gz OSAMTZAIZRYKJB-VIFPVBQESA-N 0 1 304.441 1.551 10 0 DDAEMN CCn1ncnc1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000193354326 201036880 /nfs/dbraw/zinc/03/68/80/201036880.db2.gz GQRPDLZXNQGWDA-AWEZNQCLSA-N 0 1 300.410 1.935 10 0 DDAEMN COC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1nc(C)cc(=O)[n-]1 ZINC000093629323 193276615 /nfs/dbraw/zinc/27/66/15/193276615.db2.gz GHRIGEDMCLTQHD-YGRLFVJLSA-N 0 1 311.407 1.231 10 0 DDAEMN Cc1nnc(SCC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(=O)[O-])[nH]1 ZINC000093630042 193276887 /nfs/dbraw/zinc/27/68/87/193276887.db2.gz ARKJEEZESQUDEU-HZMBPMFUSA-N 0 1 310.423 1.971 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093779644 193305715 /nfs/dbraw/zinc/30/57/15/193305715.db2.gz AVFJSLDMCQBCGH-NOZJJQNGSA-N 0 1 314.411 1.058 10 0 DDAEMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C)cc(N)c1C ZINC000094358094 193364016 /nfs/dbraw/zinc/36/40/16/193364016.db2.gz WKYPPVBRPBEDSG-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000094358680 193364700 /nfs/dbraw/zinc/36/47/00/193364700.db2.gz HDXQOCDIZFSZDO-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N[C@H](CN(C)C)C(C)C ZINC000094360278 193365294 /nfs/dbraw/zinc/36/52/94/193365294.db2.gz NUZWJPMUOOHOKR-CYBMUJFWSA-N 0 1 317.430 1.581 10 0 DDAEMN CCCN1CCC(O)([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639141 193388079 /nfs/dbraw/zinc/38/80/79/193388079.db2.gz TWJQOAIYSGEQHK-ZIAGYGMSSA-N 0 1 303.468 1.827 10 0 DDAEMN C[C@H]1CN2CCCC[C@@H]2CN1c1nc(Cl)nc(N(C)C)n1 ZINC000094442771 193369649 /nfs/dbraw/zinc/36/96/49/193369649.db2.gz PBVLLRCRVJDORV-WDEREUQCSA-N 0 1 310.833 1.654 10 0 DDAEMN CC(C)Oc1nc(Cl)nc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094442707 193370336 /nfs/dbraw/zinc/37/03/36/193370336.db2.gz NTCVEPDWHJDOBN-LLVKDONJSA-N 0 1 311.817 1.987 10 0 DDAEMN CS(=O)(=O)[C@H]1CSCCN1c1nc2ccc(N)cc2[nH]1 ZINC000094771269 193396153 /nfs/dbraw/zinc/39/61/53/193396153.db2.gz FRJRENCXSJBVRM-NSHDSACASA-N 0 1 312.420 1.069 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@H]1CCCCN1C ZINC000094779560 193397464 /nfs/dbraw/zinc/39/74/64/193397464.db2.gz ITPBSMNAXPKSTB-LLVKDONJSA-N 0 1 315.414 1.479 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)N(C)C ZINC000161623714 197508433 /nfs/dbraw/zinc/50/84/33/197508433.db2.gz FTAXUFZKPADWHC-OAHLLOKOSA-N 0 1 305.422 1.986 10 0 DDAEMN COc1ccccc1Cc1cc(=O)[nH]c(N[C@H](C)CN(C)C)n1 ZINC000019455951 182123797 /nfs/dbraw/zinc/12/37/97/182123797.db2.gz FSBXYNVXJGAROW-GFCCVEGCSA-N 0 1 316.405 1.731 10 0 DDAEMN O=C([O-])[C@H]1CCC[N@H+]1C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000038042406 304187032 /nfs/dbraw/zinc/18/70/32/304187032.db2.gz YSMLWBFMTMGXGU-SNVBAGLBSA-N 0 1 308.300 1.479 10 0 DDAEMN CS(=O)(=O)c1ccc(NCCN2CCCCCC2)c(N)c1 ZINC000040767635 183131812 /nfs/dbraw/zinc/13/18/12/183131812.db2.gz VBFFVDOHIHWOOJ-UHFFFAOYSA-N 0 1 311.451 1.960 10 0 DDAEMN NC(=O)CC1CCN(Cc2ccc(C(N)=S)cc2F)CC1 ZINC000042428966 183269667 /nfs/dbraw/zinc/26/96/67/183269667.db2.gz ZWENGZYVCBBOQC-UHFFFAOYSA-N 0 1 309.410 1.547 10 0 DDAEMN COc1cc(OC)c([C@H](N)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000043300085 183352450 /nfs/dbraw/zinc/35/24/50/183352450.db2.gz NJYNOZFTRVHQNS-YMTOWFKASA-N 0 1 315.391 1.147 10 0 DDAEMN CS(=O)(=O)N1CCC([NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000043477675 183365852 /nfs/dbraw/zinc/36/58/52/183365852.db2.gz MWDRPWOOQGXQTB-UHFFFAOYSA-N 0 1 318.826 1.559 10 0 DDAEMN CC(C)CN(C(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000105824206 194136981 /nfs/dbraw/zinc/13/69/81/194136981.db2.gz DRSSDONISILACB-HUUCEWRRSA-N 0 1 311.470 1.020 10 0 DDAEMN Cc1cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n[nH]1 ZINC000105817518 194135746 /nfs/dbraw/zinc/13/57/46/194135746.db2.gz CVROEVVOANNEEI-MRXNPFEDSA-N 0 1 314.389 1.210 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@H]2CCCCO2)CC1 ZINC000105865664 194149987 /nfs/dbraw/zinc/14/99/87/194149987.db2.gz DDBLOTNHVOEJHD-MRXNPFEDSA-N 0 1 306.454 1.724 10 0 DDAEMN COC(=O)c1coc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884573 194157840 /nfs/dbraw/zinc/15/78/40/194157840.db2.gz RPVYOOWNNVJHSW-GFCCVEGCSA-N 0 1 304.350 1.570 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000109465494 194266272 /nfs/dbraw/zinc/26/62/72/194266272.db2.gz KDTRJTVAEGXPMJ-UHFFFAOYSA-N 0 1 307.419 1.215 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000285549280 218504424 /nfs/dbraw/zinc/50/44/24/218504424.db2.gz QOOGUUCNCABJKC-QGZVFWFLSA-N 0 1 324.388 1.143 10 0 DDAEMN C[C@@]1(NCc2n[nH]nc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000110924730 194369957 /nfs/dbraw/zinc/36/99/57/194369957.db2.gz OHDFFEQHHHEXKV-CQSZACIVSA-N 0 1 306.391 1.139 10 0 DDAEMN C[C@@]1(NCc2[nH]nnc2-c2ccccc2)CCS(=O)(=O)C1 ZINC000110924730 194369959 /nfs/dbraw/zinc/36/99/59/194369959.db2.gz OHDFFEQHHHEXKV-CQSZACIVSA-N 0 1 306.391 1.139 10 0 DDAEMN O=S(=O)(C[C@H]1CCCC[NH2+]1)[N-]c1cc(F)cc(F)c1F ZINC000061120927 184162625 /nfs/dbraw/zinc/16/26/25/184162625.db2.gz RMVLTTZPPXNJAI-SECBINFHSA-N 0 1 308.325 1.988 10 0 DDAEMN CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)[C@@H](C)CC(=O)[O-] ZINC000061182419 184165281 /nfs/dbraw/zinc/16/52/81/184165281.db2.gz UXNJAEHXYGNDIL-VIFPVBQESA-N 0 1 309.391 1.750 10 0 DDAEMN CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H](C)C(=O)[O-] ZINC000061219063 184166242 /nfs/dbraw/zinc/16/62/42/184166242.db2.gz LYDCMTNJRJYVFH-VIFPVBQESA-N 0 1 300.305 1.946 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(N)cc1Cl ZINC000061642469 184180358 /nfs/dbraw/zinc/18/03/58/184180358.db2.gz MHZABOVYDKXOAI-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN CN1CC[C@H](Nc2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000061985878 184199549 /nfs/dbraw/zinc/19/95/49/184199549.db2.gz AVEBYWKDTCHHKU-JTQLQIEISA-N 0 1 303.815 1.828 10 0 DDAEMN CCC1(CC)CCN(S(=O)(=O)c2ccnc(NN)c2)CC1 ZINC000062960035 184262546 /nfs/dbraw/zinc/26/25/46/184262546.db2.gz CWHHPRNVCGJECD-UHFFFAOYSA-N 0 1 312.439 1.958 10 0 DDAEMN C[C@H]1CN(C(=O)N2CCOCC2)CCN1CCc1ccccc1 ZINC000062691181 184247543 /nfs/dbraw/zinc/24/75/43/184247543.db2.gz MUHMQLKWIDHWIL-INIZCTEOSA-N 0 1 317.433 1.687 10 0 DDAEMN Nc1cccc(F)c1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062975723 184264029 /nfs/dbraw/zinc/26/40/29/184264029.db2.gz JPRSIZQILIABEC-NSHDSACASA-N 0 1 313.398 1.267 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000120627262 195205062 /nfs/dbraw/zinc/20/50/62/195205062.db2.gz YEUCFLOTYVCBMC-GHMZBOCLSA-N 0 1 302.340 1.991 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC[C@]3(C)CCCO3)CCO2)n[nH]1 ZINC000120708471 195221491 /nfs/dbraw/zinc/22/14/91/195221491.db2.gz DBMCYTDGIOXFQB-ABAIWWIYSA-N 0 1 323.397 1.019 10 0 DDAEMN COCC[N@H+]1CCN(Cc2ccc(N3CCCC3)nc2)C[C@H]1C ZINC000120806456 195242375 /nfs/dbraw/zinc/24/23/75/195242375.db2.gz YCZQMEMTZRHUPB-MRXNPFEDSA-N 0 1 318.465 1.834 10 0 DDAEMN COCCN1CCN(Cc2ccc(N3CCCC3)nc2)C[C@H]1C ZINC000120806456 195242378 /nfs/dbraw/zinc/24/23/78/195242378.db2.gz YCZQMEMTZRHUPB-MRXNPFEDSA-N 0 1 318.465 1.834 10 0 DDAEMN O=C(NC1CCC1)[C@]12CCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000247727779 257119351 /nfs/dbraw/zinc/11/93/51/257119351.db2.gz FLGLPDVRBMAXPB-WMZOPIPTSA-N 0 1 315.417 1.731 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@H](C)O1 ZINC000068367904 134840920 /nfs/dbraw/zinc/84/09/20/134840920.db2.gz YMNJUGXOBQXXAR-KBPBESRZSA-N 0 1 318.421 1.083 10 0 DDAEMN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)NC1CC1 ZINC000078245750 407022424 /nfs/dbraw/zinc/02/24/24/407022424.db2.gz WCAIIKDAHQVUTB-IUCAKERBSA-N 0 1 311.332 1.992 10 0 DDAEMN O=S(=O)(NC[C@H]1CCC[C@@H]1O)c1c(F)cc(F)cc1F ZINC000089165422 407124587 /nfs/dbraw/zinc/12/45/87/407124587.db2.gz GEQDJBHKWOEWQN-HQJQHLMTSA-N 0 1 309.309 1.543 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCCn3nc(C)nc32)n[nH]1 ZINC000124896082 407373191 /nfs/dbraw/zinc/37/31/91/407373191.db2.gz AMNSFFYFVUONKC-ZANVPECISA-N 0 1 317.397 1.383 10 0 DDAEMN Cc1cnn(CCCCCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111229282 407401367 /nfs/dbraw/zinc/40/13/67/407401367.db2.gz UYHBFIDOKPSKSI-QGZVFWFLSA-N 0 1 317.437 1.959 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000170689405 407476681 /nfs/dbraw/zinc/47/66/81/407476681.db2.gz CPJLLFQFAAOAFH-NSHDSACASA-N 0 1 302.378 1.844 10 0 DDAEMN CC(C)NC(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171561446 407704629 /nfs/dbraw/zinc/70/46/29/407704629.db2.gz HXTLNBMRCKAJLO-QGZVFWFLSA-N 0 1 319.449 1.252 10 0 DDAEMN COC(=O)c1ccccc1CCN1CCC[C@@H]1C(=O)N(C)C ZINC000186577253 407708179 /nfs/dbraw/zinc/70/81/79/407708179.db2.gz YYFPDRKEHNZSAH-OAHLLOKOSA-N 0 1 304.390 1.568 10 0 DDAEMN COCCN1CCN(Cc2cc(F)cc3c2OCOC3)C[C@@H]1C ZINC000171569348 407708645 /nfs/dbraw/zinc/70/86/45/407708645.db2.gz WHJLBFBZPZIOAV-ZDUSSCGKSA-N 0 1 324.396 1.845 10 0 DDAEMN CC(C)[C@@H](O)CC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186650632 407730895 /nfs/dbraw/zinc/73/08/95/407730895.db2.gz ZZAKCRBUDAIHRN-ZDUSSCGKSA-N 0 1 318.377 1.407 10 0 DDAEMN Cc1cc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n[nH]1 ZINC000116780692 407772605 /nfs/dbraw/zinc/77/26/05/407772605.db2.gz CEDZDIQMZROODB-ZDUSSCGKSA-N 0 1 302.382 1.479 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000262270456 407779193 /nfs/dbraw/zinc/77/91/93/407779193.db2.gz KJSYLVAOWNNOEM-INIZCTEOSA-N 0 1 306.406 1.210 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H](C)CCOC)C[C@H]1CC ZINC000117042502 407805300 /nfs/dbraw/zinc/80/53/00/407805300.db2.gz WGWNTNCIUYHMAK-LSDHHAIUSA-N 0 1 315.458 1.554 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000262363935 407811103 /nfs/dbraw/zinc/81/11/03/407811103.db2.gz VWBOCUGNWGZHMB-PWSUYJOCSA-N 0 1 305.403 1.961 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000262370860 407814341 /nfs/dbraw/zinc/81/43/41/407814341.db2.gz WSSZZUNSZPEYIQ-JTQLQIEISA-N 0 1 306.284 1.218 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCCOC2)CCN1CCOC ZINC000172329221 407822142 /nfs/dbraw/zinc/82/21/42/407822142.db2.gz SFQZQLKOLJBOID-LSDHHAIUSA-N 0 1 313.442 1.165 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cnc4c(C)cccn34)CCO2)n[nH]1 ZINC000180113512 407856995 /nfs/dbraw/zinc/85/69/95/407856995.db2.gz CDTWQWAYJAYMIA-AWEZNQCLSA-N 0 1 312.377 1.643 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262556031 407864879 /nfs/dbraw/zinc/86/48/79/407864879.db2.gz WLKCVAZMSOHMHP-MELADBBJSA-N 0 1 313.442 1.161 10 0 DDAEMN CCOCC[N@H+]1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@H]1CC ZINC000134084239 407883864 /nfs/dbraw/zinc/88/38/64/407883864.db2.gz WXQUWIIANWOQCB-UONOGXRCSA-N 0 1 314.426 1.145 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@H]1CC ZINC000134084239 407883869 /nfs/dbraw/zinc/88/38/69/407883869.db2.gz WXQUWIIANWOQCB-UONOGXRCSA-N 0 1 314.426 1.145 10 0 DDAEMN CN(C)C(=O)[C@H](c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173937454 407905873 /nfs/dbraw/zinc/90/58/73/407905873.db2.gz XAZHUNCCLQPFLA-IRXDYDNUSA-N 0 1 317.433 1.222 10 0 DDAEMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173932904 407905947 /nfs/dbraw/zinc/90/59/47/407905947.db2.gz ZVGKNCVTYOFCDY-OAGGEKHMSA-N 0 1 309.454 1.182 10 0 DDAEMN CC[C@@H](CSC)NC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000179980043 407845678 /nfs/dbraw/zinc/84/56/78/407845678.db2.gz KWERRJXGBGWHPU-UONOGXRCSA-N 0 1 317.499 1.880 10 0 DDAEMN CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262925479 407972156 /nfs/dbraw/zinc/97/21/56/407972156.db2.gz HHFYEMGPSOSENH-IVZWLZJFSA-N 0 1 310.316 1.486 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(C)c2)CCN1C[C@@H](C)O ZINC000174637897 407972840 /nfs/dbraw/zinc/97/28/40/407972840.db2.gz SHFCVRLNGGDCHY-NVXWUHKLSA-N 0 1 304.434 1.841 10 0 DDAEMN O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)[N-]OCc1ccccc1 ZINC000119343774 408045480 /nfs/dbraw/zinc/04/54/80/408045480.db2.gz LKYMIZIKFONUJF-HOTGVXAUSA-N 0 1 304.390 1.878 10 0 DDAEMN O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)[N-]OCc1ccccc1 ZINC000119343774 408045489 /nfs/dbraw/zinc/04/54/89/408045489.db2.gz LKYMIZIKFONUJF-HOTGVXAUSA-N 0 1 304.390 1.878 10 0 DDAEMN COCCN1CCN(CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000189160069 407999641 /nfs/dbraw/zinc/99/96/41/407999641.db2.gz ZSLPLYVEAGKNKI-LLVKDONJSA-N 0 1 316.339 1.556 10 0 DDAEMN CN(C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)CN1)c1ccsc1 ZINC000263052682 408011871 /nfs/dbraw/zinc/01/18/71/408011871.db2.gz USGZGZDSMIMJDN-QWRGUYRKSA-N 0 1 303.378 1.464 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)CCCOC)CCN1C[C@H](C)O ZINC000245561650 408018601 /nfs/dbraw/zinc/01/86/01/408018601.db2.gz XLSYBCQUJDJOEB-QLFBSQMISA-N 0 1 300.443 1.353 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000119397473 408059513 /nfs/dbraw/zinc/05/95/13/408059513.db2.gz JSPMNXITAPHUGL-DJIMGWMZSA-N 0 1 307.482 1.955 10 0 DDAEMN COc1c(CN2CCC(OC[C@@H]3CCCO3)CC2)c(C)nn1C ZINC000092662069 161705410 /nfs/dbraw/zinc/70/54/10/161705410.db2.gz FCILCDSFBOMOFC-HNNXBMFYSA-N 0 1 323.437 1.897 10 0 DDAEMN CCSCC[C@H](C)NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000245842106 408076441 /nfs/dbraw/zinc/07/64/41/408076441.db2.gz CVIARTIYEWHTFR-MELADBBJSA-N 0 1 317.499 1.615 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)N(C)Cc1ccccc1)N(C)C ZINC000137029336 408136656 /nfs/dbraw/zinc/13/66/56/408136656.db2.gz YKSRQJAMPZBXPW-HNNXBMFYSA-N 0 1 305.422 1.492 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)CC(=O)[O-])n1 ZINC000263430368 408138900 /nfs/dbraw/zinc/13/89/00/408138900.db2.gz SNINTLWFCOHFPH-RISCZKNCSA-N 0 1 308.382 1.613 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccncc3CC)CCO2)n[nH]1 ZINC000155227118 408139679 /nfs/dbraw/zinc/13/96/79/408139679.db2.gz KMNLWCLAZKEGHW-ZDUSSCGKSA-N 0 1 315.377 1.538 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)CC2(C)C)C1 ZINC000263504187 408158812 /nfs/dbraw/zinc/15/88/12/408158812.db2.gz WMZSDEJVQRLOPY-PNESKVBLSA-N 0 1 311.426 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cn(C)nc2C(C)(C)C)C1 ZINC000263525982 408163773 /nfs/dbraw/zinc/16/37/73/408163773.db2.gz UBSLMXWHEZYOTK-UHFFFAOYSA-N 0 1 322.453 1.745 10 0 DDAEMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000155427176 408164029 /nfs/dbraw/zinc/16/40/29/408164029.db2.gz GVBVDIWVGDKJFX-TZMCWYRMSA-N 0 1 302.378 1.708 10 0 DDAEMN Cc1nnc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)nc1C ZINC000263556877 408172207 /nfs/dbraw/zinc/17/22/07/408172207.db2.gz OWFYVGMXRXJKJE-UHFFFAOYSA-N 0 1 305.382 1.228 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)NCc1ccc(F)cc1 ZINC000246218287 408182140 /nfs/dbraw/zinc/18/21/40/408182140.db2.gz PXQOFBLYRUMZHB-INIZCTEOSA-N 0 1 305.397 1.612 10 0 DDAEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000155595160 408187047 /nfs/dbraw/zinc/18/70/47/408187047.db2.gz BWRLQJHINMMGFE-KCXAZCMYSA-N 0 1 316.401 1.613 10 0 DDAEMN CCN(C)[C@H](C(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000246500824 408276528 /nfs/dbraw/zinc/27/65/28/408276528.db2.gz BJSJVMNADLWKDG-HOCLYGCPSA-N 0 1 313.405 1.402 10 0 DDAEMN COC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000190736177 408311710 /nfs/dbraw/zinc/31/17/10/408311710.db2.gz XKWSAWIMDYACSX-MRXNPFEDSA-N 0 1 314.345 1.639 10 0 DDAEMN O=S(=O)([N-]CC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1F ZINC000166803665 162169224 /nfs/dbraw/zinc/16/92/24/162169224.db2.gz FAFTXGOUZVEYBM-MRVPVSSYSA-N 0 1 308.325 1.524 10 0 DDAEMN CCCc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)[nH]n1 ZINC000246935017 408370103 /nfs/dbraw/zinc/37/01/03/408370103.db2.gz RLQQSSXBPIOSSH-JSGCOSHPSA-N 0 1 308.426 1.279 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc(N(C)C)c3)CCO2)n[nH]1 ZINC000173755917 162362668 /nfs/dbraw/zinc/36/26/68/162362668.db2.gz FNBZPNZLRWYUEJ-CQSZACIVSA-N 0 1 315.377 1.393 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC1(C)OCCCO1 ZINC000191108850 408372101 /nfs/dbraw/zinc/37/21/01/408372101.db2.gz LLTBFNSQCHPUDH-OAHLLOKOSA-N 0 1 306.406 1.429 10 0 DDAEMN CN(C)C(=O)c1cccc(CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173921664 162377635 /nfs/dbraw/zinc/37/76/35/162377635.db2.gz UZIJGFLWADVCNC-KRWDZBQOSA-N 0 1 317.433 1.295 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C(C)C)n2C)C[C@H]1C ZINC000246995079 408381393 /nfs/dbraw/zinc/38/13/93/408381393.db2.gz BEMLWNVDPPBTMM-CQSZACIVSA-N 0 1 309.458 1.481 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247351821 408455872 /nfs/dbraw/zinc/45/58/72/408455872.db2.gz JSPMNXITAPHUGL-HYVNUMGLSA-N 0 1 307.482 1.955 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)N[C@H](C)C3CCCC3)CCO2)n[nH]1 ZINC000175537188 162477692 /nfs/dbraw/zinc/47/76/92/162477692.db2.gz BJUSVCGZDLFUCJ-MFKMUULPSA-N 0 1 307.398 1.775 10 0 DDAEMN CN(Cc1ccccc1F)C(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247223462 408433865 /nfs/dbraw/zinc/43/38/65/408433865.db2.gz QPYNRYXQTXNNQY-HNNXBMFYSA-N 0 1 305.397 1.564 10 0 DDAEMN O=S(=O)(c1cc(F)ccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000247489898 408481883 /nfs/dbraw/zinc/48/18/83/408481883.db2.gz LMUAYUKIYZLZRA-NSHDSACASA-N 0 1 318.801 1.948 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ncccc2C)CCN1C[C@H](C)O ZINC000247567638 408492921 /nfs/dbraw/zinc/49/29/21/408492921.db2.gz RKJFXWSYKQEODI-KBPBESRZSA-N 0 1 306.410 1.699 10 0 DDAEMN CCCN(CCC)C(=O)CN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247399318 408463843 /nfs/dbraw/zinc/46/38/43/408463843.db2.gz YGGUZTRVRUIJSJ-HOTGVXAUSA-N 0 1 313.486 1.412 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccncc2)CCN1C[C@H](C)O ZINC000248374406 408552793 /nfs/dbraw/zinc/55/27/93/408552793.db2.gz QFLFKNYLMFJUEI-ZFWWWQNUSA-N 0 1 306.410 1.068 10 0 DDAEMN C[C@H](O)C[N@H+]1CCN(C(=O)CCc2ccc(O)cc2)C[C@H]1C ZINC000248402610 408560596 /nfs/dbraw/zinc/56/05/96/408560596.db2.gz NKQDIWUVVSDSFV-KGLIPLIRSA-N 0 1 306.406 1.238 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCc2ccc(O)cc2)C[C@H]1C ZINC000248402610 408560601 /nfs/dbraw/zinc/56/06/01/408560601.db2.gz NKQDIWUVVSDSFV-KGLIPLIRSA-N 0 1 306.406 1.238 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248414588 408561804 /nfs/dbraw/zinc/56/18/04/408561804.db2.gz HBVFYPNWWHJKJD-ILXRZTDVSA-N 0 1 300.443 1.351 10 0 DDAEMN CCc1oc(C(=O)OC)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000177310444 408578350 /nfs/dbraw/zinc/57/83/50/408578350.db2.gz XNSLGMMTZIASFW-AWEZNQCLSA-N 0 1 322.405 1.535 10 0 DDAEMN C[C@]1(C(N)=O)CCCCN1C[C@@H](O)COCc1ccccc1 ZINC000248586504 408592279 /nfs/dbraw/zinc/59/22/79/408592279.db2.gz JUXJCLGIOVGCAQ-NVXWUHKLSA-N 0 1 306.406 1.294 10 0 DDAEMN CC[C@](C)(O)CN(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000161905764 408649282 /nfs/dbraw/zinc/64/92/82/408649282.db2.gz FORAUNPHHPHQEV-INIZCTEOSA-N 0 1 310.394 1.735 10 0 DDAEMN CC(C)N1CC[C@H](N2C[C@@H](CO)[C@@H](c3ccsc3)C2)C1=O ZINC000249558601 408743151 /nfs/dbraw/zinc/74/31/51/408743151.db2.gz KVGZVGGBPBEHQH-ZNMIVQPWSA-N 0 1 308.447 1.765 10 0 DDAEMN CN1CCO[C@H](CN[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000252442961 408793798 /nfs/dbraw/zinc/79/37/98/408793798.db2.gz KPBDBQGKWNESRI-OCCSQVGLSA-N 0 1 323.824 1.366 10 0 DDAEMN CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195053357 408809476 /nfs/dbraw/zinc/80/94/76/408809476.db2.gz YDMJRRDYYXCESZ-HUUCEWRRSA-N 0 1 307.438 1.474 10 0 DDAEMN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195053357 408809479 /nfs/dbraw/zinc/80/94/79/408809479.db2.gz YDMJRRDYYXCESZ-HUUCEWRRSA-N 0 1 307.438 1.474 10 0 DDAEMN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CNc2ccccn2)C1 ZINC000195515608 163327189 /nfs/dbraw/zinc/32/71/89/163327189.db2.gz ZRMMDSIMUONLCN-QWHCGFSZSA-N 0 1 319.409 1.050 10 0 DDAEMN C[C@@H](NC(=O)c1ccc(Br)cc1N)c1nnc[nH]1 ZINC000225289053 163335304 /nfs/dbraw/zinc/33/53/04/163335304.db2.gz CGZRBYOSWVCHJG-ZCFIWIBFSA-N 0 1 310.155 1.640 10 0 DDAEMN Cn1ccnc1[C@H]1C[N@@H+](CC[C@@H](O)c2ccccc2)CCN1C ZINC000285462441 409454528 /nfs/dbraw/zinc/45/45/28/409454528.db2.gz YVZVXJVFICRMKX-IAGOWNOFSA-N 0 1 314.433 1.832 10 0 DDAEMN Cn1ccnc1[C@H]1CN(CC[C@@H](O)c2ccccc2)CCN1C ZINC000285462441 409454533 /nfs/dbraw/zinc/45/45/33/409454533.db2.gz YVZVXJVFICRMKX-IAGOWNOFSA-N 0 1 314.433 1.832 10 0 DDAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCC(Cn2cccn2)CC1 ZINC000134384551 196384309 /nfs/dbraw/zinc/38/43/09/196384309.db2.gz RTYTVHRSUSWBFS-CQSZACIVSA-N 0 1 313.405 1.965 10 0 DDAEMN O=C(C[C@@H]1C(=O)Nc2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000195368673 418556275 /nfs/dbraw/zinc/55/62/75/418556275.db2.gz CQJSCYKZHRWFPS-HIFRSBDPSA-N 0 1 313.401 1.809 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCO[C@H](c2ccco2)C1 ZINC000375091739 418602276 /nfs/dbraw/zinc/60/22/76/418602276.db2.gz UMXZNZAYKVYBJK-YGRLFVJLSA-N 0 1 302.334 1.103 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCO[C@H](c2ccco2)C1 ZINC000375091739 418602281 /nfs/dbraw/zinc/60/22/81/418602281.db2.gz UMXZNZAYKVYBJK-YGRLFVJLSA-N 0 1 302.334 1.103 10 0 DDAEMN O=C(c1ccoc1C1CC1)N1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617812 422200433 /nfs/dbraw/zinc/20/04/33/422200433.db2.gz UJNVXFBSEYYZPI-HNNXBMFYSA-N 0 1 302.334 1.399 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCCN(Cc2noc3c2CCCC3)C1 ZINC000583617971 422201122 /nfs/dbraw/zinc/20/11/22/422201122.db2.gz PJGGBHAJEHQBEX-HNNXBMFYSA-N 0 1 303.366 1.155 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2nnc[nH]2)CC1 ZINC000616596549 422513997 /nfs/dbraw/zinc/51/39/97/422513997.db2.gz ZYDZOZKPWGTYQX-LLVKDONJSA-N 0 1 311.386 1.093 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCN(C)C[C@H]2C(C)C)CC1 ZINC000179508910 263359867 /nfs/dbraw/zinc/35/98/67/263359867.db2.gz LSCZYYWDOIMOPX-NRXISQOPSA-N 0 1 310.438 1.764 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000181955492 276597510 /nfs/dbraw/zinc/59/75/10/276597510.db2.gz FVYPIYMMJBIIJA-HNNXBMFYSA-N 0 1 324.396 1.501 10 0 DDAEMN CCS(=O)(=O)NCCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000151711237 280019386 /nfs/dbraw/zinc/01/93/86/280019386.db2.gz YQQYGHOYSCBCQD-ZDUSSCGKSA-N 0 1 300.428 1.266 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000248580697 290102162 /nfs/dbraw/zinc/10/21/62/290102162.db2.gz FIBGKOGCANPXAF-LEOABGAYSA-N 0 1 311.470 1.908 10 0 DDAEMN O=C1NCC[C@H]1N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000378190905 302289015 /nfs/dbraw/zinc/28/90/15/302289015.db2.gz QJEWUBJWABUIGR-PSASIEDQSA-N 0 1 302.300 1.496 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@@H]1O ZINC000375427679 307225674 /nfs/dbraw/zinc/22/56/74/307225674.db2.gz SBGDRRSGNKHISJ-WDMOLILDSA-N 0 1 306.410 1.165 10 0 DDAEMN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@@H]1O ZINC000375427679 307225675 /nfs/dbraw/zinc/22/56/75/307225675.db2.gz SBGDRRSGNKHISJ-WDMOLILDSA-N 0 1 306.410 1.165 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C[C@@H]3CCCCC(=O)N3)CCO2)n[nH]1 ZINC000328808926 534582528 /nfs/dbraw/zinc/58/25/28/534582528.db2.gz MIHJZQGWTKIHLT-RYUDHWBXSA-N 0 1 321.381 1.302 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)C[C@@H]2CSCCS2)C[C@H]1C ZINC000246858143 698356296 /nfs/dbraw/zinc/35/62/96/698356296.db2.gz VXFPUGJRTCFLSB-FRRDWIJNSA-N 0 1 318.508 1.139 10 0 DDAEMN O=[N+]([O-])c1cc(CN=Nc2nn[nH]n2)ccc1Br ZINC000250890160 698400230 /nfs/dbraw/zinc/40/02/30/698400230.db2.gz LIGGSOFMRPABKL-UHFFFAOYSA-N 0 1 312.087 1.316 10 0 DDAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000261737856 698435497 /nfs/dbraw/zinc/43/54/97/698435497.db2.gz NTDKLFHMMYRMNC-ISTRZQFTSA-N 0 1 315.417 1.705 10 0 DDAEMN CN(C[C@H]1CCCO1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000262017756 698451139 /nfs/dbraw/zinc/45/11/39/698451139.db2.gz XECOXFSBKDNJKU-HIFRSBDPSA-N 0 1 301.390 1.675 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Br)cc1C ZINC000262258599 698461859 /nfs/dbraw/zinc/46/18/59/698461859.db2.gz JFLNVAZNNPDYCF-LLVKDONJSA-N 0 1 301.184 1.347 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CC23CCCC3)C1 ZINC000263447423 698507563 /nfs/dbraw/zinc/50/75/63/698507563.db2.gz GFASHBMMVXEJPW-WXRRBKDZSA-N 0 1 309.410 1.556 10 0 DDAEMN CO[C@H]1CCN([C@H]2CCC[C@H]2NS(=O)(=O)c2ccccc2)C1 ZINC000886079356 708694191 /nfs/dbraw/zinc/69/41/91/708694191.db2.gz IOXAEPTVMDVANN-IMJJTQAJSA-N 0 1 324.446 1.607 10 0 DDAEMN COc1ccc(F)cc1CN[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886079575 708694283 /nfs/dbraw/zinc/69/42/83/708694283.db2.gz FZQPPSWVENFDGS-GOEBONIOSA-N 0 1 321.352 1.504 10 0 DDAEMN CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cc[nH]n3)C2)ccn1 ZINC000886094944 708697321 /nfs/dbraw/zinc/69/73/21/708697321.db2.gz IJIXKYAONAAQRN-AWEZNQCLSA-N 0 1 315.377 1.160 10 0 DDAEMN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2n[nH]c(CO)n2)cc1 ZINC000912941614 713129868 /nfs/dbraw/zinc/12/98/68/713129868.db2.gz PGQUOBRLRAVGFX-UONOGXRCSA-N 0 1 314.389 1.840 10 0 DDAEMN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2nnc(CO)[nH]2)cc1 ZINC000912941614 713129870 /nfs/dbraw/zinc/12/98/70/713129870.db2.gz PGQUOBRLRAVGFX-UONOGXRCSA-N 0 1 314.389 1.840 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000908092592 712684641 /nfs/dbraw/zinc/68/46/41/712684641.db2.gz NMBWLZZMGUHKOP-CRWXNKLISA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000908092592 712684645 /nfs/dbraw/zinc/68/46/45/712684645.db2.gz NMBWLZZMGUHKOP-CRWXNKLISA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000908092592 712684646 /nfs/dbraw/zinc/68/46/46/712684646.db2.gz NMBWLZZMGUHKOP-CRWXNKLISA-N 0 1 319.409 1.110 10 0 DDAEMN CC[C@H](CSC)NC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000248504909 282088021 /nfs/dbraw/zinc/08/80/21/282088021.db2.gz VSMGPVNJWYHIPH-MGPQQGTHSA-N 0 1 317.499 1.615 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2nccs2)CCN1C[C@H](C)O ZINC000248457593 282085038 /nfs/dbraw/zinc/08/50/38/282085038.db2.gz PCIHHXACZZATPF-NWDGAFQWSA-N 0 1 312.439 1.130 10 0 DDAEMN C[C@H](O)CN1CC[N@H+](CCCOCc2ccccc2)C[C@@H]1C ZINC000248544441 282089884 /nfs/dbraw/zinc/08/98/84/282089884.db2.gz CXNSLYNABWAQOH-IRXDYDNUSA-N 0 1 306.450 1.980 10 0 DDAEMN CCCN[C@@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944515 192346188 /nfs/dbraw/zinc/34/61/88/192346188.db2.gz RRZZIIRRQOZCDI-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN Nc1ccc(S(=O)(=O)NCCc2cnc[nH]2)c(Cl)c1 ZINC000087538009 185227899 /nfs/dbraw/zinc/22/78/99/185227899.db2.gz XNYIALKPGDTIAD-UHFFFAOYSA-N 0 1 300.771 1.166 10 0 DDAEMN CCc1nc(CC2CC2)[nH]c(=O)c1I ZINC000087580558 185229077 /nfs/dbraw/zinc/22/90/77/185229077.db2.gz AXSBFBWZXWEQFF-UHFFFAOYSA-N 0 1 304.131 1.889 10 0 DDAEMN CCCc1nsc(N2CCN([C@H](CC)C(N)=S)CC2)n1 ZINC000087639957 185229879 /nfs/dbraw/zinc/22/98/79/185229879.db2.gz CJGSASCFEQBFHV-SNVBAGLBSA-N 0 1 313.496 1.677 10 0 DDAEMN Cc1n[nH]c(C(=O)N(CC(C)C)CC(C)C)c1S(N)(=O)=O ZINC000087898468 185235813 /nfs/dbraw/zinc/23/58/13/185235813.db2.gz QRIJVAPNGQUFCK-UHFFFAOYSA-N 0 1 316.427 1.120 10 0 DDAEMN CC(C)COC[C@H](NC[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203398 539244062 /nfs/dbraw/zinc/24/40/62/539244062.db2.gz VNLCGGCOYCLZGU-GJZGRUSLSA-N 0 1 324.421 1.566 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NCC1(c2ccccc2)CC1)C(C)C ZINC000183634260 539242647 /nfs/dbraw/zinc/24/26/47/539242647.db2.gz GZFHXPJXILRPIC-MRXNPFEDSA-N 0 1 317.433 1.195 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)o1 ZINC000088543815 185256590 /nfs/dbraw/zinc/25/65/90/185256590.db2.gz QIYZAEHTKDFRRI-WDEREUQCSA-N 0 1 302.396 1.187 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccc(Br)cc1 ZINC000088752512 185264140 /nfs/dbraw/zinc/26/41/40/185264140.db2.gz FEJDXAGOGBZVEV-UHFFFAOYSA-N 0 1 316.180 1.651 10 0 DDAEMN CNS(=O)(=O)c1ccc(CNC[C@](C)(O)CC(C)C)o1 ZINC000090267507 185288511 /nfs/dbraw/zinc/28/85/11/185288511.db2.gz KRWMKBIITBPPCG-CYBMUJFWSA-N 0 1 304.412 1.074 10 0 DDAEMN CCc1nn(C)c(CN[C@@H](CO)C(C)C)c1Br ZINC000092394922 185315834 /nfs/dbraw/zinc/31/58/34/185315834.db2.gz WGMPRPUOBAXDKY-JTQLQIEISA-N 0 1 304.232 1.852 10 0 DDAEMN CC(C)C[N@H+]1CCO[C@@H](CN(CC(=O)[O-])CC(F)(F)F)C1 ZINC000092442834 185318702 /nfs/dbraw/zinc/31/87/02/185318702.db2.gz NDCKAUYHKRDNOK-LLVKDONJSA-N 0 1 312.332 1.292 10 0 DDAEMN CNCc1[nH]nc(C)c1S(=O)(=O)NCC1C(C)(C)C1(C)C ZINC000092833118 185344907 /nfs/dbraw/zinc/34/49/07/185344907.db2.gz OKQKTUCGLXBWAN-UHFFFAOYSA-N 0 1 314.455 1.398 10 0 DDAEMN COC(=O)c1ccc(F)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000181923534 199365105 /nfs/dbraw/zinc/36/51/05/199365105.db2.gz KDUIWJZCMBJSEN-QWHCGFSZSA-N 0 1 324.396 1.499 10 0 DDAEMN C[C@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NC(=O)CC1CC1 ZINC000725273009 539570932 /nfs/dbraw/zinc/57/09/32/539570932.db2.gz XDKRMRHNCLIZBR-GWCFXTLKSA-N 0 1 308.451 1.852 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000083551073 192372603 /nfs/dbraw/zinc/37/26/03/192372603.db2.gz MUYVOSSMFMSYPQ-GHMZBOCLSA-N 0 1 315.826 1.592 10 0 DDAEMN Cc1nc2nc(C)c3c(ccn(CCc4cnc[nH]4)c3=O)n2n1 ZINC000072449445 191170249 /nfs/dbraw/zinc/17/02/49/191170249.db2.gz LMUICMBZZPBEFR-UHFFFAOYSA-N 0 1 309.333 1.022 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(SC)o3)CCO2)n[nH]1 ZINC000173572102 198229188 /nfs/dbraw/zinc/22/91/88/198229188.db2.gz MDIYNPMIKMWHGW-SNVBAGLBSA-N 0 1 322.390 1.896 10 0 DDAEMN CCOc1ccc(OCCN2CCN(C[C@@H](O)CC)CC2)cc1 ZINC000174080234 198289024 /nfs/dbraw/zinc/28/90/24/198289024.db2.gz SXMJZBWMSJLUOB-INIZCTEOSA-N 0 1 322.449 1.853 10 0 DDAEMN CN1CCN(c2nc(N)nc3c2CCc2sccc2-3)CC1 ZINC000144110721 354152213 /nfs/dbraw/zinc/15/22/13/354152213.db2.gz ITUMQBVAYNFQPS-UHFFFAOYSA-N 0 1 301.419 1.638 10 0 DDAEMN NCC(=O)Nc1cc(I)ccc1Cl ZINC000300923701 354459099 /nfs/dbraw/zinc/45/90/99/354459099.db2.gz HFZSGINZIMZCBM-UHFFFAOYSA-N 0 1 310.522 1.842 10 0 DDAEMN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccc2[nH]nnc2c1 ZINC000328616072 354546614 /nfs/dbraw/zinc/54/66/14/354546614.db2.gz BIDAGVUDYBTEKE-NSHDSACASA-N 0 1 310.361 1.489 10 0 DDAEMN C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)N1CCCCC1 ZINC000074591414 299222921 /nfs/dbraw/zinc/22/29/21/299222921.db2.gz WMFSGMNCMNOFNX-GJZGRUSLSA-N 0 1 309.454 1.768 10 0 DDAEMN CCOC(=O)C[C@@]1(N2CCCCCC2)CCS(=O)(=O)C1 ZINC000080685738 192181950 /nfs/dbraw/zinc/18/19/50/192181950.db2.gz BIJHFYRXVYAAHX-AWEZNQCLSA-N 0 1 303.424 1.373 10 0 DDAEMN C[C@H](O)[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000080738554 192187351 /nfs/dbraw/zinc/18/73/51/192187351.db2.gz GRKNESVTAGTJQZ-WHFBIAKZSA-N 0 1 319.235 1.041 10 0 DDAEMN O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237714334 202336504 /nfs/dbraw/zinc/33/65/04/202336504.db2.gz LLWNWWRGBWDQNC-CSMHCCOUSA-N 0 1 303.288 1.683 10 0 DDAEMN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447845 201053296 /nfs/dbraw/zinc/05/32/96/201053296.db2.gz YXSJKVOFEPFMAZ-CPCISQLKSA-N 0 1 308.325 1.523 10 0 DDAEMN Cn1cnnc1CNC[C@H]1Cc2cc(Br)ccc2O1 ZINC000090904516 192943831 /nfs/dbraw/zinc/94/38/31/192943831.db2.gz WGJHQAGXCHXWMP-LLVKDONJSA-N 0 1 323.194 1.671 10 0 DDAEMN C[C@H](CO)CSC[C@@](NC1CC1)(C(N)=O)c1ccccc1 ZINC000091258753 193027885 /nfs/dbraw/zinc/02/78/85/193027885.db2.gz ONQXHRHOQNTTGL-WBMJQRKESA-N 0 1 308.447 1.481 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091491928 193063671 /nfs/dbraw/zinc/06/36/71/193063671.db2.gz ZQTWYNADIOFCLA-LLVKDONJSA-N 0 1 311.495 1.878 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000262507198 203314202 /nfs/dbraw/zinc/31/42/02/203314202.db2.gz JGIWWBCFWQARQP-ZACQAIPSSA-N 0 1 318.417 1.480 10 0 DDAEMN O=C([C@@H]1CNCCO1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262621656 203355187 /nfs/dbraw/zinc/35/51/87/203355187.db2.gz IZXUCZITMUTPDK-XQQFMLRXSA-N 0 1 310.419 1.151 10 0 DDAEMN CN1c2ccccc2[C@@H](NCC(C)(C)S(C)(=O)=O)CC1=O ZINC000093520431 193263318 /nfs/dbraw/zinc/26/33/18/193263318.db2.gz HGXPAEKNVINOBD-LBPRGKRZSA-N 0 1 310.419 1.507 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])cs1 ZINC000094746587 193394883 /nfs/dbraw/zinc/39/48/83/193394883.db2.gz ISRSRJLGIDSVLY-GUBZILKMSA-N 0 1 311.407 1.926 10 0 DDAEMN O=C(N[C@H]1COc2ccccc2C1)N1CCN2CCCC[C@H]2C1 ZINC000246562848 284256468 /nfs/dbraw/zinc/25/64/68/284256468.db2.gz ZMZHAFMNDKKUFF-CVEARBPZSA-N 0 1 315.417 1.870 10 0 DDAEMN O=C(NCc1cn2c(n1)SCC2)c1nc2ccc(F)cc2[nH]1 ZINC000019111397 182104591 /nfs/dbraw/zinc/10/45/91/182104591.db2.gz WZYPDWMTUQLIBZ-UHFFFAOYSA-N 0 1 317.349 1.934 10 0 DDAEMN COCCN1CCC[C@H](c2ncc(C(=O)N(C)C)c(C)n2)C1 ZINC000019753093 182143438 /nfs/dbraw/zinc/14/34/38/182143438.db2.gz FMSKHHMKAFTKLA-ZDUSSCGKSA-N 0 1 306.410 1.313 10 0 DDAEMN C[N@@H+]1CCc2c(sc(NC(=O)C(F)(F)F)c2C(=O)[O-])C1 ZINC000020335449 182209367 /nfs/dbraw/zinc/20/93/67/182209367.db2.gz YOKZMFLKLRZRCQ-UHFFFAOYSA-N 0 1 308.281 1.935 10 0 DDAEMN C[N@H+]1CCc2c(sc(NC(=O)C(F)(F)F)c2C(=O)[O-])C1 ZINC000020335449 182209369 /nfs/dbraw/zinc/20/93/69/182209369.db2.gz YOKZMFLKLRZRCQ-UHFFFAOYSA-N 0 1 308.281 1.935 10 0 DDAEMN CCCCCn1c2cc(C(=O)N3CCNCC3)ccc2oc1=O ZINC000036326020 182816575 /nfs/dbraw/zinc/81/65/75/182816575.db2.gz QNJJPPXKLQEGOV-UHFFFAOYSA-N 0 1 317.389 1.830 10 0 DDAEMN CN(Cc1cccc(Br)c1)C(=O)N1CCNCC1 ZINC000042440450 183270464 /nfs/dbraw/zinc/27/04/64/183270464.db2.gz ODKOAQGHGUPIAY-UHFFFAOYSA-N 0 1 312.211 1.906 10 0 DDAEMN CC(C)N(CCCO)CC(=O)Nc1ccccc1C(N)=S ZINC000042505959 183277724 /nfs/dbraw/zinc/27/77/24/183277724.db2.gz RPVZDFBMKHEEAY-UHFFFAOYSA-N 0 1 309.435 1.352 10 0 DDAEMN COC(=O)c1c2c(sc1N1C(=O)C[C@H](C)C1=O)CNCC2 ZINC000104427973 194007048 /nfs/dbraw/zinc/00/70/48/194007048.db2.gz SWSKLFIPYCAZNC-ZETCQYMHSA-N 0 1 308.359 1.080 10 0 DDAEMN CCOc1ccccc1OCC[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284809718 218187329 /nfs/dbraw/zinc/18/73/29/218187329.db2.gz NGASJJCIUNSHDE-INIZCTEOSA-N 0 1 318.377 1.176 10 0 DDAEMN CCOc1ccccc1OCCN1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284809718 218187336 /nfs/dbraw/zinc/18/73/36/218187336.db2.gz NGASJJCIUNSHDE-INIZCTEOSA-N 0 1 318.377 1.176 10 0 DDAEMN CC[C@H](C)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105818271 194136081 /nfs/dbraw/zinc/13/60/81/194136081.db2.gz SBNVKXLNKZRPPL-JKSUJKDBSA-N 0 1 311.470 1.286 10 0 DDAEMN CCCCNC(=O)[C@H](C)N1CCN(CCOCC)[C@H](CC)C1 ZINC000105838126 194143666 /nfs/dbraw/zinc/14/36/66/194143666.db2.gz RATZRSRXSWKZTM-JKSUJKDBSA-N 0 1 313.486 1.724 10 0 DDAEMN Cc1ncc(CN2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000105869961 194152340 /nfs/dbraw/zinc/15/23/40/194152340.db2.gz QBNKFNSGPUMITE-UHFFFAOYSA-N 0 1 305.451 1.893 10 0 DDAEMN CCCCCNC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909890 194167466 /nfs/dbraw/zinc/16/74/66/194167466.db2.gz OOLOJUVFBOVXBC-OAHLLOKOSA-N 0 1 319.453 1.684 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)CCN1CCOC ZINC000105914485 194169009 /nfs/dbraw/zinc/16/90/09/194169009.db2.gz AQHMFYUKOGGHIJ-JKSUJKDBSA-N 0 1 311.470 1.430 10 0 DDAEMN COCCN1CCN(Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000106106878 194185330 /nfs/dbraw/zinc/18/53/30/194185330.db2.gz HVYXFLCKFVENTM-CQSZACIVSA-N 0 1 306.406 1.610 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000109461422 194265399 /nfs/dbraw/zinc/26/53/99/194265399.db2.gz PPSUKUBOIYZVAB-ZDUSSCGKSA-N 0 1 306.435 1.213 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000109460452 194265523 /nfs/dbraw/zinc/26/55/23/194265523.db2.gz VDEIXCGVOQOQJK-CYBMUJFWSA-N 0 1 309.410 1.648 10 0 DDAEMN CCn1c(SCC(=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000110732946 194355104 /nfs/dbraw/zinc/35/51/04/194355104.db2.gz ILHRXSOLOWTKKO-UHFFFAOYSA-N 0 1 313.427 1.005 10 0 DDAEMN COCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C(N)=S ZINC000062031576 184202401 /nfs/dbraw/zinc/20/24/01/184202401.db2.gz GUMDELGHTKPCSS-NSHDSACASA-N 0 1 309.435 1.616 10 0 DDAEMN Nc1ccc2[nH]c(S(=O)(=O)CCc3cccnc3)nc2c1 ZINC000063224028 184279452 /nfs/dbraw/zinc/27/94/52/184279452.db2.gz HZSLAEVXCRRNJS-UHFFFAOYSA-N 0 1 302.359 1.557 10 0 DDAEMN Nc1ccc2nc(S(=O)(=O)CCc3cccnc3)[nH]c2c1 ZINC000063224028 184279454 /nfs/dbraw/zinc/27/94/54/184279454.db2.gz HZSLAEVXCRRNJS-UHFFFAOYSA-N 0 1 302.359 1.557 10 0 DDAEMN O=C([N-]C[C@H](O)C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000119754912 195030008 /nfs/dbraw/zinc/03/00/08/195030008.db2.gz BPYVSYWMHUNNJK-LBPRGKRZSA-N 0 1 302.296 1.084 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(OCC(=O)NC)cc1)N(C)C ZINC000152852911 196829209 /nfs/dbraw/zinc/82/92/09/196829209.db2.gz KYOQVPGSLVERLJ-CQSZACIVSA-N 0 1 307.394 1.480 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]1C ZINC000120871716 195254104 /nfs/dbraw/zinc/25/41/04/195254104.db2.gz HOAFEXSLBCONPB-AWEZNQCLSA-N 0 1 322.453 1.259 10 0 DDAEMN CN1[C@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000248041304 257111135 /nfs/dbraw/zinc/11/11/35/257111135.db2.gz OLYDEGYQTIHVBY-HRCADAONSA-N 0 1 303.406 1.310 10 0 DDAEMN Clc1cc(Br)cnc1NC[C@H]1COCCN1 ZINC000236052450 484178011 /nfs/dbraw/zinc/17/80/11/484178011.db2.gz OBNDEJJGHYPCQZ-QMMMGPOBSA-N 0 1 306.591 1.898 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCCC3=CCCC3)CCO2)n[nH]1 ZINC000152087123 407560279 /nfs/dbraw/zinc/56/02/79/407560279.db2.gz NGUOBINTAFLQET-ZDUSSCGKSA-N 0 1 305.382 1.696 10 0 DDAEMN CN1CCN(c2ccc(Nc3nc4[nH]ccc4c(=O)[nH]3)cc2)CC1 ZINC000071261332 406835071 /nfs/dbraw/zinc/83/50/71/406835071.db2.gz XYCZDOVXXKLQBB-UHFFFAOYSA-N 0 1 324.388 1.747 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000078684563 407040857 /nfs/dbraw/zinc/04/08/57/407040857.db2.gz AEYQTIUTPXRNAG-CHWSQXEVSA-N 0 1 322.405 1.650 10 0 DDAEMN COc1ccc(COC[C@@H](O)CN2[C@H](C)COC[C@@H]2C)cc1 ZINC000077367910 406986506 /nfs/dbraw/zinc/98/65/06/406986506.db2.gz INPPQVOVWWWXBV-LZWOXQAQSA-N 0 1 309.406 1.682 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1sccc1OC ZINC000122917738 407314565 /nfs/dbraw/zinc/31/45/65/407314565.db2.gz HPWXNQQWPNOVRX-NSHDSACASA-N 0 1 318.464 1.862 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(F)cn3)CCO2)n[nH]1 ZINC000123415776 407328183 /nfs/dbraw/zinc/32/81/83/407328183.db2.gz NYPPMFXJCXMPSW-SNVBAGLBSA-N 0 1 306.301 1.253 10 0 DDAEMN CC(C)(C)CCNC(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105884262 407356550 /nfs/dbraw/zinc/35/65/50/407356550.db2.gz NLAOCDXSSQJOGM-AWEZNQCLSA-N 0 1 307.442 1.543 10 0 DDAEMN CCc1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)n[nH]1 ZINC000110947051 407399448 /nfs/dbraw/zinc/39/94/48/407399448.db2.gz HEJDYQCRVVHZCE-UHFFFAOYSA-N 0 1 318.381 1.012 10 0 DDAEMN Cc1ccc(CCNC(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000111887227 407419413 /nfs/dbraw/zinc/41/94/13/407419413.db2.gz NQTCOFFMAJRGAH-INIZCTEOSA-N 0 1 302.422 1.812 10 0 DDAEMN COc1ccc([C@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240269 407440570 /nfs/dbraw/zinc/44/05/70/407440570.db2.gz JHXLBAGUPFUXKO-JQWIXIFHSA-N 0 1 300.362 1.796 10 0 DDAEMN COc1ccc([C@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240269 407440576 /nfs/dbraw/zinc/44/05/76/407440576.db2.gz JHXLBAGUPFUXKO-JQWIXIFHSA-N 0 1 300.362 1.796 10 0 DDAEMN CCOC(=O)[C@@H]1C(=O)COC12CCN(Cc1ccccc1)CC2 ZINC000222269512 407552473 /nfs/dbraw/zinc/55/24/73/407552473.db2.gz BKDLLVICVUNNEG-INIZCTEOSA-N 0 1 317.385 1.800 10 0 DDAEMN CCN(CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)C1CC1 ZINC000152164688 407576922 /nfs/dbraw/zinc/57/69/22/407576922.db2.gz ZFRNATSJOVAGJX-ZDUSSCGKSA-N 0 1 306.410 1.643 10 0 DDAEMN CCOC(=O)N1CC[C@H](NC(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000185922439 407539615 /nfs/dbraw/zinc/53/96/15/407539615.db2.gz AXIQYHBXCHEZBZ-UONOGXRCSA-N 0 1 324.425 1.097 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3ccc(OC)cc3)CCO2)n[nH]1 ZINC000129229210 407599470 /nfs/dbraw/zinc/59/94/70/407599470.db2.gz ZOGDLLPWWBHYPL-CQSZACIVSA-N 0 1 302.378 1.949 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000262241306 407773525 /nfs/dbraw/zinc/77/35/25/407773525.db2.gz HTAWWKKIWFKYLU-SMDDNHRTSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000262241306 407773532 /nfs/dbraw/zinc/77/35/32/407773532.db2.gz HTAWWKKIWFKYLU-SMDDNHRTSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262289203 407784182 /nfs/dbraw/zinc/78/41/82/407784182.db2.gz MUBVSIDJOBUPNU-KRWDZBQOSA-N 0 1 314.385 1.856 10 0 DDAEMN CC[S@](=O)c1ccccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116786291 407777382 /nfs/dbraw/zinc/77/73/82/407777382.db2.gz BLJLCBGCYQRPMP-MCMMXHMISA-N 0 1 324.446 1.217 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000262304387 407790378 /nfs/dbraw/zinc/79/03/78/407790378.db2.gz OHDPVAKQIXQMLB-DZGCQCFKSA-N 0 1 322.405 1.000 10 0 DDAEMN COCCSc1ccc([C@H](C)NC(=O)[C@H](N)COC)cc1 ZINC000262301372 407790421 /nfs/dbraw/zinc/79/04/21/407790421.db2.gz NYAFHEIOPYSIBA-SMDDNHRTSA-N 0 1 312.435 1.576 10 0 DDAEMN CC(C)[C@H]1C(=O)NCCN1CCN(C)Cc1ccc(F)cc1 ZINC000187010099 407812105 /nfs/dbraw/zinc/81/21/05/407812105.db2.gz YTGCIBUIWAYIEX-INIZCTEOSA-N 0 1 307.413 1.714 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCCOC)CCN1CCOC ZINC000117478561 407840392 /nfs/dbraw/zinc/84/03/92/407840392.db2.gz MLWXSWOUNHKNPX-CQSZACIVSA-N 0 1 301.431 1.165 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262549005 407863048 /nfs/dbraw/zinc/86/30/48/407863048.db2.gz UMISDXJNNGICIT-ZIAGYGMSSA-N 0 1 313.442 1.018 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC1(O)CCCC1 ZINC000153680495 407877781 /nfs/dbraw/zinc/87/77/81/407877781.db2.gz VNXLZVDRDZOLNP-INIZCTEOSA-N 0 1 304.434 1.923 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2nccs2)C1 ZINC000262699528 407905488 /nfs/dbraw/zinc/90/54/88/407905488.db2.gz HLEYWSCSJCYXNS-UHFFFAOYSA-N 0 1 311.407 1.129 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC000262712682 407906606 /nfs/dbraw/zinc/90/66/06/407906606.db2.gz MCCKTXGNOFAOJG-UHFFFAOYSA-N 0 1 308.353 1.422 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(OC)c2)C1 ZINC000187358226 407849674 /nfs/dbraw/zinc/84/96/74/407849674.db2.gz INPKEVLCCZOTMT-GFCCVEGCSA-N 0 1 323.368 1.373 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCC2CCCC2)CCO1 ZINC000262893432 407963919 /nfs/dbraw/zinc/96/39/19/407963919.db2.gz HFSXWPYNEJKYQR-CQSZACIVSA-N 0 1 312.410 1.201 10 0 DDAEMN CC(=O)N[C@H]1CCCN(Cc2cn(C)nc2-c2ccncc2)C1 ZINC000153926217 407933425 /nfs/dbraw/zinc/93/34/25/407933425.db2.gz SDWTUROLGACZDH-INIZCTEOSA-N 0 1 313.405 1.583 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262989616 407996618 /nfs/dbraw/zinc/99/66/18/407996618.db2.gz VKBWQXSDIIPZSC-CYBMUJFWSA-N 0 1 314.426 1.589 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1 ZINC000175394715 408118127 /nfs/dbraw/zinc/11/81/27/408118127.db2.gz VDUOKNRUGUQLTF-ZDUSSCGKSA-N 0 1 300.399 1.931 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC2(C3(C)CC3)CC2)C1 ZINC000263498087 408156022 /nfs/dbraw/zinc/15/60/22/408156022.db2.gz UJPQGSWDBFVRLZ-UHFFFAOYSA-N 0 1 309.410 1.556 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)cs2)CCO1 ZINC000263520222 408161997 /nfs/dbraw/zinc/16/19/97/408161997.db2.gz QNEPSXVMJBXUEP-LLVKDONJSA-N 0 1 318.826 1.619 10 0 DDAEMN Cc1ccc(F)c(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000263526753 408164640 /nfs/dbraw/zinc/16/46/40/408164640.db2.gz UJVHSXWBVJMHAY-AWEZNQCLSA-N 0 1 310.369 1.351 10 0 DDAEMN CCc1cccc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000263579477 408181371 /nfs/dbraw/zinc/18/13/71/408181371.db2.gz UUCHTCWYTWZCHK-INIZCTEOSA-N 0 1 306.406 1.466 10 0 DDAEMN C[C@@H]1CN(CC(=O)N(C)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246332365 408221859 /nfs/dbraw/zinc/22/18/59/408221859.db2.gz DUIPVGACJKIDOO-NVXWUHKLSA-N 0 1 317.433 1.302 10 0 DDAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccnc1 ZINC000190339357 408223294 /nfs/dbraw/zinc/22/32/94/408223294.db2.gz YBZJATHMLUZWPY-ZIAGYGMSSA-N 0 1 302.378 1.105 10 0 DDAEMN COc1ccnc(CN2CC[C@H](c3cnn(C)c3)C2)c1OC ZINC000190572759 408279043 /nfs/dbraw/zinc/27/90/43/408279043.db2.gz WYKVJIFMLDRWBD-LBPRGKRZSA-N 0 1 302.378 1.822 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)N1CC[C@@H](N2CCOCC2)C1)C(C)C ZINC000246798622 408341493 /nfs/dbraw/zinc/34/14/93/408341493.db2.gz AZLDDTCTTUOGBW-JKSUJKDBSA-N 0 1 311.470 1.427 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC(C)CC2)CCN1C[C@H](C)O ZINC000247098754 408405600 /nfs/dbraw/zinc/40/56/00/408405600.db2.gz ICXNOYIJZSTTLH-JKSUJKDBSA-N 0 1 311.470 1.022 10 0 DDAEMN COCC[N@H+]1CCN(C[C@@H](O)COCc2ccccc2)C[C@H]1C ZINC000247214929 408430024 /nfs/dbraw/zinc/43/00/24/408430024.db2.gz PZBXNKOHQSSCAB-SJLPKXTDSA-N 0 1 322.449 1.217 10 0 DDAEMN C[C@@H]1CN(CC[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)CCO1 ZINC000192834967 408660001 /nfs/dbraw/zinc/66/00/01/408660001.db2.gz OKROQURHZAXEDG-BMFZPTHFSA-N 0 1 310.463 1.477 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000177781109 408711417 /nfs/dbraw/zinc/71/14/17/408711417.db2.gz FGNPYVHIOVINIJ-QGZVFWFLSA-N 0 1 301.434 1.815 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3cccs3)CCO2)n[nH]1 ZINC000178075398 408769206 /nfs/dbraw/zinc/76/92/06/408769206.db2.gz IKSDFGPEAJMJNP-NSHDSACASA-N 0 1 321.406 1.712 10 0 DDAEMN CCc1onc(C)c1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000187399495 163017139 /nfs/dbraw/zinc/01/71/39/163017139.db2.gz YWZVKEIFCWZSSO-NSHDSACASA-N 0 1 305.338 1.186 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(Cl)n1 ZINC000190871943 163162323 /nfs/dbraw/zinc/16/23/23/163162323.db2.gz FKNGZVFIVOPFFD-LLVKDONJSA-N 0 1 315.826 1.512 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)c3nc(C)cc(=O)[nH]3)CCO2)n[nH]1 ZINC000192605018 163229604 /nfs/dbraw/zinc/22/96/04/163229604.db2.gz XNXZNASCBRIENV-ONGXEEELSA-N 0 1 304.354 1.052 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCN1C ZINC000280176352 409264876 /nfs/dbraw/zinc/26/48/76/409264876.db2.gz SSYNMBNJQDXNIL-IRXDYDNUSA-N 0 1 314.433 1.312 10 0 DDAEMN COc1cccc(C2=CCN(C(=O)[C@@H]3C[C@H](OC)CN3C)C2)c1 ZINC000346145877 409819554 /nfs/dbraw/zinc/81/95/54/409819554.db2.gz LEELNALPANVLMT-IRXDYDNUSA-N 0 1 316.401 1.640 10 0 DDAEMN C[C@H](N[C@@H](C)c1cccs1)C(=O)N(C)CC(=O)NC1CC1 ZINC000193222712 418530722 /nfs/dbraw/zinc/53/07/22/418530722.db2.gz QRMDGVNORXXTRS-QWRGUYRKSA-N 0 1 309.435 1.524 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616600849 422516085 /nfs/dbraw/zinc/51/60/85/422516085.db2.gz DYWFEOTWHUWGRL-NSHDSACASA-N 0 1 307.379 1.158 10 0 DDAEMN COC(=O)C1CCC(C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000179483075 263360519 /nfs/dbraw/zinc/36/05/19/263360519.db2.gz COYOHPSPQGWQJA-NRXISQOPSA-N 0 1 308.422 1.663 10 0 DDAEMN Cc1noc(CN2CCCC[C@@H](NCc3ccco3)C2=O)n1 ZINC000643736572 423301570 /nfs/dbraw/zinc/30/15/70/423301570.db2.gz HMNQMJDKFXSMDR-CYBMUJFWSA-N 0 1 304.350 1.642 10 0 DDAEMN CN1CCN(C[C@H](O)Cc2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000649520755 423991923 /nfs/dbraw/zinc/99/19/23/423991923.db2.gz JNSQBJYDYAUXDR-CVEARBPZSA-N 0 1 300.406 1.302 10 0 DDAEMN CO[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3c2cccc3C)N(C)C1 ZINC000345213321 272191838 /nfs/dbraw/zinc/19/18/38/272191838.db2.gz PNXSIDRZEWGGLN-HOCLYGCPSA-N 0 1 315.417 1.854 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000263005630 484273799 /nfs/dbraw/zinc/27/37/99/484273799.db2.gz NFVRUCRQCDKRQD-HIFPTAJRSA-N 0 1 323.393 1.886 10 0 DDAEMN Cc1cc(CN2CC[C@](O)(Cn3ccnn3)C2)ccc1Cl ZINC000671492185 485076738 /nfs/dbraw/zinc/07/67/38/485076738.db2.gz BYLIAQBAJJSGKO-OAHLLOKOSA-N 0 1 306.797 1.877 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(-n2ccc(=O)cc2)nc1)N(C)C ZINC000185202825 697515076 /nfs/dbraw/zinc/51/50/76/697515076.db2.gz BJTCKKAAHCUVSJ-OAHLLOKOSA-N 0 1 314.389 1.901 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246309505 698347558 /nfs/dbraw/zinc/34/75/58/698347558.db2.gz AGHYPNRUUOYZLJ-JYJNAYRXSA-N 0 1 313.486 1.458 10 0 DDAEMN O=S(=O)(C1=Cc2ccccc2OC1)N1CCN2CCC[C@H]2C1 ZINC000249062638 698385888 /nfs/dbraw/zinc/38/58/88/698385888.db2.gz JSHBWNKKCZYZGY-AWEZNQCLSA-N 0 1 320.414 1.530 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CC3CCC2CC3)C1 ZINC000263410218 698505954 /nfs/dbraw/zinc/50/59/54/698505954.db2.gz URTNBJKWYGIOJM-MWHZVNNOSA-N 0 1 323.437 1.802 10 0 DDAEMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000309688643 698665821 /nfs/dbraw/zinc/66/58/21/698665821.db2.gz UFLLYFLPYZIUKD-WMZOPIPTSA-N 0 1 321.417 1.997 10 0 DDAEMN C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1nccn1C ZINC000702765506 699232441 /nfs/dbraw/zinc/23/24/41/699232441.db2.gz LFMIKKKSGZEZEF-AVGNSLFASA-N 0 1 324.425 1.299 10 0 DDAEMN COCc1nc(CN[C@@H]2CCCN3CCSC[C@@H]23)cs1 ZINC000720458966 699306344 /nfs/dbraw/zinc/30/63/44/699306344.db2.gz MUUDBGPLKQOUKA-OLZOCXBDSA-N 0 1 313.492 1.959 10 0 DDAEMN O=C(N[C@H]1CCOc2ccccc21)C1CN([C@@H]2CCOC2)C1 ZINC000895484010 711523968 /nfs/dbraw/zinc/52/39/68/711523968.db2.gz WEKWHAQIWKXSPJ-HIFRSBDPSA-N 0 1 302.374 1.347 10 0 DDAEMN [NH3+][C@@H](CSc1nccc(=O)[n-]1)c1ccc2c(c1)OCCO2 ZINC000081775088 192322713 /nfs/dbraw/zinc/32/27/13/192322713.db2.gz YHQNFZKLAXKGTI-JTQLQIEISA-N 0 1 305.359 1.746 10 0 DDAEMN Cc1cccnc1/C=C/C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248750647 282106040 /nfs/dbraw/zinc/10/60/40/282106040.db2.gz UKXUDDWUYJNULP-KXLSMFKISA-N 0 1 303.406 1.317 10 0 DDAEMN C[C@H]1CN(C2CCN(C(=O)Nc3cccnc3)CC2)CCO1 ZINC000079427350 185171291 /nfs/dbraw/zinc/17/12/91/185171291.db2.gz WTOQYQRYFLANJS-ZDUSSCGKSA-N 0 1 304.394 1.799 10 0 DDAEMN O=c1[nH]c(-c2cncs2)ncc1I ZINC000087572360 185228564 /nfs/dbraw/zinc/22/85/64/185228564.db2.gz NIYCFGGJBUZULY-UHFFFAOYSA-N 0 1 305.100 1.910 10 0 DDAEMN COc1ccc(CN(CC(N)=O)CC(C)C)cc1C(N)=S ZINC000087832583 185232496 /nfs/dbraw/zinc/23/24/96/185232496.db2.gz PSWNVFRIQXVLQA-UHFFFAOYSA-N 0 1 309.435 1.273 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)C(C)C ZINC000183661923 539242931 /nfs/dbraw/zinc/24/29/31/539242931.db2.gz PZESDTKGARLCIP-BLLLJJGKSA-N 0 1 303.406 1.324 10 0 DDAEMN CN[C@@](CN(C)CCC(F)(F)F)(C(N)=O)c1ccccc1 ZINC000088434686 185250027 /nfs/dbraw/zinc/25/00/27/185250027.db2.gz LBMJDXFVJUSIGN-CYBMUJFWSA-N 0 1 303.328 1.471 10 0 DDAEMN C[C@H](NCCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000358140774 299086223 /nfs/dbraw/zinc/08/62/23/299086223.db2.gz YFVZXRLRQZGSLV-JTQLQIEISA-N 0 1 304.362 1.651 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000092663398 185332424 /nfs/dbraw/zinc/33/24/24/185332424.db2.gz FXQVEDIICVHFQC-NEPJUHHUSA-N 0 1 317.455 1.318 10 0 DDAEMN O=C(N[C@@H]1CCCc2sccc21)[C@H]1Cc2nc[nH]c2CN1 ZINC000092782489 185340476 /nfs/dbraw/zinc/34/04/76/185340476.db2.gz CAHKVKATZSSVKX-ZYHUDNBSSA-N 0 1 302.403 1.679 10 0 DDAEMN O=C(N[C@@H]1CCCc2sccc21)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092782485 185340561 /nfs/dbraw/zinc/34/05/61/185340561.db2.gz CAHKVKATZSSVKX-PWSUYJOCSA-N 0 1 302.403 1.679 10 0 DDAEMN CCOC(=O)N1CCNC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616635461 362764924 /nfs/dbraw/zinc/76/49/24/362764924.db2.gz DYCNMOVOZQYIPZ-NSHDSACASA-N 0 1 301.387 1.332 10 0 DDAEMN CCOC(=O)[C@@H]1CN[C@H](Cc2ccc(OC)cc2)C(C)(C)C1=O ZINC000039131002 352298524 /nfs/dbraw/zinc/29/85/24/352298524.db2.gz GMLGGPOLRNWDMB-HUUCEWRRSA-N 0 1 319.401 1.984 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccnc3C)CCO2)n[nH]1 ZINC000173564397 198228241 /nfs/dbraw/zinc/22/82/41/198228241.db2.gz VEFGKECEMWGLHH-LBPRGKRZSA-N 0 1 301.350 1.284 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC000174093853 198290174 /nfs/dbraw/zinc/29/01/74/198290174.db2.gz YUULTWGQELTLLP-INIZCTEOSA-N 0 1 305.422 1.322 10 0 DDAEMN CS(=O)(=O)c1ccccc1NC[C@@H](O)CN1CCCCC1 ZINC000174686337 198370031 /nfs/dbraw/zinc/37/00/31/198370031.db2.gz NUHVCSKXQUOLFH-CYBMUJFWSA-N 0 1 312.435 1.349 10 0 DDAEMN O=S(=O)(NCCc1nn[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000074803814 191364311 /nfs/dbraw/zinc/36/43/11/191364311.db2.gz MLORKCBMZKMGCE-UHFFFAOYSA-N 0 1 322.177 1.028 10 0 DDAEMN CCN(CC(=O)NC(C)C)C[C@H](C(N)=S)c1ccccc1 ZINC000080797233 192191966 /nfs/dbraw/zinc/19/19/66/192191966.db2.gz OTWTVAVNXDIOAP-AWEZNQCLSA-N 0 1 307.463 1.903 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCCC[C@@H]2C)n1 ZINC000080868650 192196007 /nfs/dbraw/zinc/19/60/07/192196007.db2.gz PMJDVUZXDFWMLW-VHSXEESVSA-N 0 1 318.468 1.955 10 0 DDAEMN N[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)CCOC1 ZINC000085868417 192536287 /nfs/dbraw/zinc/53/62/87/192536287.db2.gz CUEFOVAJPTWMRK-ZDUSSCGKSA-N 0 1 303.189 1.770 10 0 DDAEMN CN1C[C@]2(CCCN(c3nc(N)nc4c3CCCC4)C2)OC1=O ZINC000095392457 283252555 /nfs/dbraw/zinc/25/25/55/283252555.db2.gz FORRROUJZBIVPS-INIZCTEOSA-N 0 1 317.393 1.359 10 0 DDAEMN CCO[C@@H]1CCCN(S(=O)(=O)c2cc(CNC)oc2C)C1 ZINC000089003993 192691856 /nfs/dbraw/zinc/69/18/56/192691856.db2.gz IWASLOUBGFKXRI-GFCCVEGCSA-N 0 1 316.423 1.497 10 0 DDAEMN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447831 201053478 /nfs/dbraw/zinc/05/34/78/201053478.db2.gz YXSJKVOFEPFMAZ-HQJQHLMTSA-N 0 1 308.325 1.523 10 0 DDAEMN CCn1c(CN)nnc1SC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893441 192941240 /nfs/dbraw/zinc/94/12/40/192941240.db2.gz CRPNOUVBEIFULB-NSHDSACASA-N 0 1 308.382 1.992 10 0 DDAEMN CC(C)N[C@@](CSC[C@@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258882 193027562 /nfs/dbraw/zinc/02/75/62/193027562.db2.gz DLQHBHLOYLFSDH-XJKSGUPXSA-N 0 1 310.463 1.727 10 0 DDAEMN CC[N@@H+]1CCO[C@@H](CSc2nc(C)nc(C)c2C(=O)[O-])C1 ZINC000092050891 193148556 /nfs/dbraw/zinc/14/85/56/193148556.db2.gz JRILAHYUEVWXGZ-LLVKDONJSA-N 0 1 311.407 1.604 10 0 DDAEMN CC[N@H+]1CCO[C@@H](CSc2nc(C)nc(C)c2C(=O)[O-])C1 ZINC000092050891 193148558 /nfs/dbraw/zinc/14/85/58/193148558.db2.gz JRILAHYUEVWXGZ-LLVKDONJSA-N 0 1 311.407 1.604 10 0 DDAEMN O=C([O-])c1ccc(S(=O)(=O)CCC[NH+]2CCCC2)c(F)c1 ZINC000092114993 193162765 /nfs/dbraw/zinc/16/27/65/193162765.db2.gz TXPOJXWOBZVBMR-UHFFFAOYSA-N 0 1 315.366 1.784 10 0 DDAEMN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000245458822 284016937 /nfs/dbraw/zinc/01/69/37/284016937.db2.gz KSAUDMXDKCWVFI-KFWWJZLASA-N 0 1 308.422 1.663 10 0 DDAEMN COc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@@H]1COCCN1 ZINC000262037322 203181318 /nfs/dbraw/zinc/18/13/18/203181318.db2.gz FTYLIEZWGACCFL-CJNGLKHVSA-N 0 1 304.390 1.567 10 0 DDAEMN CCN[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ncccn1 ZINC000093700050 193294381 /nfs/dbraw/zinc/29/43/81/193294381.db2.gz YLJMLQPMYXCATK-CHWSQXEVSA-N 0 1 312.439 1.189 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N[C@@H](CN(C)C)C(C)C ZINC000093648605 193283020 /nfs/dbraw/zinc/28/30/20/193283020.db2.gz XRSNJTMNPFTKIC-AWEZNQCLSA-N 0 1 313.467 1.750 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000093853722 193319676 /nfs/dbraw/zinc/31/96/76/193319676.db2.gz LAYWQKBXLIKQPO-WRWORJQWSA-N 0 1 302.425 1.119 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000094177721 193347232 /nfs/dbraw/zinc/34/72/32/193347232.db2.gz NFVVRHZSBSFGIA-FRRDWIJNSA-N 0 1 313.467 1.010 10 0 DDAEMN CN(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[C@@H]1CCC[N@@H+](C)C1 ZINC000094226658 193351888 /nfs/dbraw/zinc/35/18/88/193351888.db2.gz AMUWXVZCEMBAOG-LDYMZIIASA-N 0 1 311.304 1.128 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)ccc1F ZINC000094457208 193372026 /nfs/dbraw/zinc/37/20/26/193372026.db2.gz VWYGGKFWCCNPIL-ZYHUDNBSSA-N 0 1 313.398 1.265 10 0 DDAEMN Cc1cc(C(=O)N[C@H](C)c2nn[nH]n2)sc1Br ZINC000094536849 193378428 /nfs/dbraw/zinc/37/84/28/193378428.db2.gz ZMMWOBNZIFPDMG-RXMQYKEDSA-N 0 1 316.184 1.823 10 0 DDAEMN CCc1n[nH]c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000095053600 193415817 /nfs/dbraw/zinc/41/58/17/193415817.db2.gz ZFHYYJVSUJDRLP-MNOVXSKESA-N 0 1 310.423 1.494 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N[C@@H](C)CN1CCCC1 ZINC000094779498 193396573 /nfs/dbraw/zinc/39/65/73/193396573.db2.gz CVRSTHIOJAGKNH-NSHDSACASA-N 0 1 315.414 1.479 10 0 DDAEMN O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)cc1O ZINC000019766925 182144558 /nfs/dbraw/zinc/14/45/58/182144558.db2.gz SLSUHSRQIJPPCF-LBPRGKRZSA-N 0 1 318.329 1.208 10 0 DDAEMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000038008393 182961163 /nfs/dbraw/zinc/96/11/63/182961163.db2.gz IXVIMAAEAVPUTR-UHFFFAOYSA-N 0 1 303.815 1.450 10 0 DDAEMN O=S(=O)([N-][C@@H]1CCCC[NH2+]C1)c1cc(F)c(F)cc1F ZINC000333669159 249063732 /nfs/dbraw/zinc/06/37/32/249063732.db2.gz MULADKJYBKJSPR-MRVPVSSYSA-N 0 1 308.325 1.524 10 0 DDAEMN C[C@H]1CCC[C@@](N)(c2nc3c(s2)CS(=O)(=O)CC3)C1 ZINC000042332500 183254983 /nfs/dbraw/zinc/25/49/83/183254983.db2.gz KUIKPJVJOMGVDI-ZANVPECISA-N 0 1 300.449 1.978 10 0 DDAEMN CCc1nn2c(nc(C[N@@H+](C)CCCC(=O)[O-])cc2=O)s1 ZINC000042717942 183301644 /nfs/dbraw/zinc/30/16/44/183301644.db2.gz IZIBUSLWFOIQHW-UHFFFAOYSA-N 0 1 310.379 1.010 10 0 DDAEMN C[N@@H+](CCCC(=O)[O-])CC(=O)NCCSc1ccccc1 ZINC000042717890 183301658 /nfs/dbraw/zinc/30/16/58/183301658.db2.gz MCZZBCVPTDHFSB-UHFFFAOYSA-N 0 1 310.419 1.692 10 0 DDAEMN COc1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)c2ccccc12 ZINC000284539533 218069875 /nfs/dbraw/zinc/06/98/75/218069875.db2.gz KNDCTFNQSBYBHA-BBRMVZONSA-N 0 1 314.385 1.923 10 0 DDAEMN C[C@H]1OCCN(Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1C(N)=O ZINC000284711243 218143083 /nfs/dbraw/zinc/14/30/83/218143083.db2.gz UXMJXHDBCNPBOU-RISCZKNCSA-N 0 1 300.362 1.151 10 0 DDAEMN COC(=O)c1cc(CN2CCC[C@H](Cn3cncn3)C2)oc1C ZINC000105882766 194155091 /nfs/dbraw/zinc/15/50/91/194155091.db2.gz PLOITCLNIHBHDY-ZDUSSCGKSA-N 0 1 318.377 1.878 10 0 DDAEMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000105932680 194173524 /nfs/dbraw/zinc/17/35/24/194173524.db2.gz OYEUFIYSTURNMB-FZMZJTMJSA-N 0 1 311.813 1.587 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCn1cccn1 ZINC000106430644 194213102 /nfs/dbraw/zinc/21/31/02/194213102.db2.gz CXCJEAGDAQEEOB-INIZCTEOSA-N 0 1 300.406 1.562 10 0 DDAEMN NC(=S)CN1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000109442955 194264188 /nfs/dbraw/zinc/26/41/88/194264188.db2.gz KWVZRGNLUSMDCZ-UHFFFAOYSA-N 0 1 304.341 1.509 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)c2ccccn2)CC1 ZINC000109463293 194266292 /nfs/dbraw/zinc/26/62/92/194266292.db2.gz WBNIAZVAXGOJJC-ZDUSSCGKSA-N 0 1 306.435 1.294 10 0 DDAEMN CC[C@H]1CN(c2nnc(SCC(=O)[O-])n2CC)CC[N@H+]1C ZINC000110732906 194354690 /nfs/dbraw/zinc/35/46/90/194354690.db2.gz GPIDRWODLRWDFH-JTQLQIEISA-N 0 1 313.427 1.005 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccc(N)cc2Cl)CCN1C ZINC000110703337 194352306 /nfs/dbraw/zinc/35/23/06/194352306.db2.gz WWEVSYAUUVPUMF-GFCCVEGCSA-N 0 1 310.829 1.887 10 0 DDAEMN COc1ccc([C@@H](NCC[NH+](C)C)C(=O)[O-])c(Cl)c1OC ZINC000110830494 194361739 /nfs/dbraw/zinc/36/17/39/194361739.db2.gz BNKHVKSAHJQINO-GFCCVEGCSA-N 0 1 316.785 1.634 10 0 DDAEMN NNc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2F)ccn1 ZINC000061094699 184161661 /nfs/dbraw/zinc/16/16/61/184161661.db2.gz SPYHJRPDEAVYCE-UHFFFAOYSA-N 0 1 318.280 1.585 10 0 DDAEMN CCCNc1ncccc1S(=O)(=O)NCCN(C)C1CC1 ZINC000062011818 184201247 /nfs/dbraw/zinc/20/12/47/184201247.db2.gz BOCIBTAMIDAAFP-UHFFFAOYSA-N 0 1 312.439 1.276 10 0 DDAEMN CN(Cc1ccsc1)C(=O)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062876499 184258086 /nfs/dbraw/zinc/25/80/86/184258086.db2.gz MZWCVYXRVCSGLG-OAHLLOKOSA-N 0 1 310.419 1.893 10 0 DDAEMN O=C([O-])c1c(Cl)cccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062981059 184264373 /nfs/dbraw/zinc/26/43/73/184264373.db2.gz RUQFYQRQOMJOOW-NSHDSACASA-N 0 1 310.781 1.949 10 0 DDAEMN O=C1NCCO[C@@H]2CN(Cc3ccc4ccccc4n3)CC[C@H]12 ZINC000247875876 257114931 /nfs/dbraw/zinc/11/49/31/257114931.db2.gz NWKRCRSBPOUWHL-DOTOQJQBSA-N 0 1 311.385 1.572 10 0 DDAEMN CC(C)[N@@H+](C)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@@H]12 ZINC000503716182 257209830 /nfs/dbraw/zinc/20/98/30/257209830.db2.gz DSCUMUKVCULUBS-NWANDNLSSA-N 0 1 308.401 1.940 10 0 DDAEMN CC(C)c1nnc(CN(C)CC(C)(C)CN2CCOCC2)n1C ZINC000178936640 306689998 /nfs/dbraw/zinc/68/99/98/306689998.db2.gz BJAJHSLZLWWUHM-UHFFFAOYSA-N 0 1 323.485 1.729 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(Cc2ccncc2)CC1 ZINC000033869896 406962697 /nfs/dbraw/zinc/96/26/97/406962697.db2.gz ZPDXIAHVHHWEEG-KRWDZBQOSA-N 0 1 307.438 1.377 10 0 DDAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CC[C@H](Oc2cccnc2)C1 ZINC000123171984 407322088 /nfs/dbraw/zinc/32/20/88/407322088.db2.gz MDXJTSISQTYJCU-UONOGXRCSA-N 0 1 312.373 1.905 10 0 DDAEMN CCCCNC(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105884717 407356768 /nfs/dbraw/zinc/35/67/68/407356768.db2.gz SSUATKKDNZQCHY-HNNXBMFYSA-N 0 1 307.442 1.523 10 0 DDAEMN COC[C@H](C)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000103385931 407337658 /nfs/dbraw/zinc/33/76/58/407337658.db2.gz NWWPZFOWPGCBQN-AWEZNQCLSA-N 0 1 305.422 1.655 10 0 DDAEMN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)cn1 ZINC000106903076 407365542 /nfs/dbraw/zinc/36/55/42/407365542.db2.gz SJSHOESZWYIMON-INIZCTEOSA-N 0 1 313.401 1.879 10 0 DDAEMN COc1cccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)n1 ZINC000106913453 407366363 /nfs/dbraw/zinc/36/63/63/407366363.db2.gz HOEPMGQJRAGRLY-INIZCTEOSA-N 0 1 313.401 1.879 10 0 DDAEMN CN(CC(=O)NCC1CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000108867218 407391495 /nfs/dbraw/zinc/39/14/95/407391495.db2.gz MBQDXCOBRBHXSE-HNNXBMFYSA-N 0 1 317.437 1.294 10 0 DDAEMN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000111635632 407412941 /nfs/dbraw/zinc/41/29/41/407412941.db2.gz SVORQXVOXNZCGE-HZPDHXFCSA-N 0 1 317.433 1.144 10 0 DDAEMN CCCC[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cc(C)on1 ZINC000112548642 407432191 /nfs/dbraw/zinc/43/21/91/407432191.db2.gz LSZWOXSSQKHWGC-UONOGXRCSA-N 0 1 324.425 1.401 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000195252691 407445008 /nfs/dbraw/zinc/44/50/08/407445008.db2.gz JGGDKMJBJKMGIY-KBPBESRZSA-N 0 1 324.446 1.861 10 0 DDAEMN C[C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000171112439 407601787 /nfs/dbraw/zinc/60/17/87/407601787.db2.gz XGHVWENNRCWRSB-SSDOTTSWSA-N 0 1 309.313 1.787 10 0 DDAEMN CCN(CC(=O)N1CCC[C@@H](c2nncn2CC)C1)C1CC1 ZINC000152332565 407612489 /nfs/dbraw/zinc/61/24/89/407612489.db2.gz PZBPKIYPUSPPJG-CYBMUJFWSA-N 0 1 305.426 1.488 10 0 DDAEMN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(F)cc1O)CC2 ZINC000179002978 407688446 /nfs/dbraw/zinc/68/84/46/407688446.db2.gz NPWWGUNFOKDHNH-NSHDSACASA-N 0 1 318.352 1.991 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000262038643 407719843 /nfs/dbraw/zinc/71/98/43/407719843.db2.gz FXYAUCZEDOBENV-IUODEOHRSA-N 0 1 308.378 1.245 10 0 DDAEMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H](N)COC ZINC000262288152 407783813 /nfs/dbraw/zinc/78/38/13/407783813.db2.gz MPYLWQDIZDXLNQ-CYBMUJFWSA-N 0 1 307.394 1.064 10 0 DDAEMN CCOCCN1CCN(Cc2cnn3ccccc23)C[C@@H]1C ZINC000179511451 407799752 /nfs/dbraw/zinc/79/97/52/407799752.db2.gz ZWNYYKITLGABPJ-HNNXBMFYSA-N 0 1 302.422 1.877 10 0 DDAEMN COC[C@H](N)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000262362001 407810821 /nfs/dbraw/zinc/81/08/21/407810821.db2.gz VRPKNQBBYINNFS-NSHDSACASA-N 0 1 319.174 1.520 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@@H]2CCCOC2)CCN1CCOC ZINC000172329226 407822596 /nfs/dbraw/zinc/82/25/96/407822596.db2.gz SFQZQLKOLJBOID-GJZGRUSLSA-N 0 1 313.442 1.165 10 0 DDAEMN CCOCCN1CCN([C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000117880052 407868608 /nfs/dbraw/zinc/86/86/08/407868608.db2.gz AMHBASHYMNXUPN-RDJZCZTQSA-N 0 1 320.433 1.943 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000262582427 407874200 /nfs/dbraw/zinc/87/42/00/407874200.db2.gz USDHDEPGMSINCH-QMMMGPOBSA-N 0 1 310.247 1.679 10 0 DDAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000262968246 407989135 /nfs/dbraw/zinc/98/91/35/407989135.db2.gz RHGIUQGOGAOUJB-OAHLLOKOSA-N 0 1 322.380 1.766 10 0 DDAEMN FC(F)C(F)(F)COCCN1CCC[C@@H](n2cncn2)C1 ZINC000189219233 408002744 /nfs/dbraw/zinc/00/27/44/408002744.db2.gz DZSKURJNLXSCPO-SNVBAGLBSA-N 0 1 310.295 1.832 10 0 DDAEMN CCN(C)[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189445819 408022279 /nfs/dbraw/zinc/02/22/79/408022279.db2.gz FQQDXPQRPGHWSH-INIZCTEOSA-N 0 1 315.417 1.416 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NC3CCCCCC3)CCO2)n[nH]1 ZINC000175292406 408096533 /nfs/dbraw/zinc/09/65/33/408096533.db2.gz IKKJHGMGHARPFN-CYBMUJFWSA-N 0 1 307.398 1.919 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccccc3F)CCO2)n[nH]1 ZINC000175297996 408100796 /nfs/dbraw/zinc/10/07/96/408100796.db2.gz ZBUNNDUYUHDERO-CYBMUJFWSA-N 0 1 319.340 1.535 10 0 DDAEMN CCCn1nc(C)c(CNC2CC([N@@H+](CC)CC(=O)[O-])C2)c1C ZINC000263508247 408159116 /nfs/dbraw/zinc/15/91/16/408159116.db2.gz MNSAEDIGMSGFAK-UHFFFAOYSA-N 0 1 322.453 1.937 10 0 DDAEMN Cc1ccc(O)c(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263526908 408164143 /nfs/dbraw/zinc/16/41/43/408164143.db2.gz UKSWSPIEWYDQQD-UHFFFAOYSA-N 0 1 319.405 1.513 10 0 DDAEMN COC(=O)[C@H](C)CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000246287514 408203419 /nfs/dbraw/zinc/20/34/19/408203419.db2.gz CUJMLXHGPGVQKP-HZSPNIEDSA-N 0 1 306.406 1.993 10 0 DDAEMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCN2CCCC[C@@H]2C1 ZINC000246350200 408228230 /nfs/dbraw/zinc/22/82/30/408228230.db2.gz IZBFIGSHYQYCHI-FPCVCCKLSA-N 0 1 307.438 1.824 10 0 DDAEMN COc1ccccc1NCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246613958 408302712 /nfs/dbraw/zinc/30/27/12/408302712.db2.gz COCKZZPQBZALME-KBPBESRZSA-N 0 1 321.421 1.021 10 0 DDAEMN CCOC(=O)c1cccnc1N1CCN(CCOC)[C@H](CC)C1 ZINC000183148865 408337149 /nfs/dbraw/zinc/33/71/49/408337149.db2.gz ZWTCPWYAKCHDHG-CQSZACIVSA-N 0 1 321.421 1.805 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n[nH]1 ZINC000136435022 162119253 /nfs/dbraw/zinc/11/92/53/162119253.db2.gz PLVVKJMNWHWBDF-LLVKDONJSA-N 0 1 314.336 1.839 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCCCSC)CCO2)n[nH]1 ZINC000141329928 162134652 /nfs/dbraw/zinc/13/46/52/162134652.db2.gz XLFYYSHHMJJIJQ-JTQLQIEISA-N 0 1 313.427 1.203 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c(OC)c1 ZINC000170240664 162185075 /nfs/dbraw/zinc/18/50/75/162185075.db2.gz UPYLXFPQGRKVIX-SECBINFHSA-N 0 1 302.334 1.566 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)c(OC)c1 ZINC000170240664 162185077 /nfs/dbraw/zinc/18/50/77/162185077.db2.gz UPYLXFPQGRKVIX-SECBINFHSA-N 0 1 302.334 1.566 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000171552663 162224144 /nfs/dbraw/zinc/22/41/44/162224144.db2.gz OURVPSFBEULOCJ-CHWSQXEVSA-N 0 1 305.426 1.656 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)n[nH]1 ZINC000173544391 162347212 /nfs/dbraw/zinc/34/72/12/162347212.db2.gz WRROWFMJZNQEOM-LBPRGKRZSA-N 0 1 308.288 1.605 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CC3CCOCC3)CCO2)n[nH]1 ZINC000173573671 162349649 /nfs/dbraw/zinc/34/96/49/162349649.db2.gz QHUYWAOWBMWBQQ-LBPRGKRZSA-N 0 1 308.382 1.084 10 0 DDAEMN COc1ccc(CCN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173676241 162355057 /nfs/dbraw/zinc/35/50/57/162355057.db2.gz MTNOCYIBLPKCSL-HNNXBMFYSA-N 0 1 302.378 1.738 10 0 DDAEMN COc1ccc([C@@H](C)NC(=O)CCc2nc[nH]n2)cc1OC ZINC000176831566 408455580 /nfs/dbraw/zinc/45/55/80/408455580.db2.gz VRYQVMYXUGLPSJ-SNVBAGLBSA-N 0 1 304.350 1.632 10 0 DDAEMN CCOCCN1CCN(C(=O)CC[C@@H](C)OC)C[C@H]1CC ZINC000183620807 408456271 /nfs/dbraw/zinc/45/62/71/408456271.db2.gz GTHSYKTVQNMNEY-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN CCOCCN1CCN(Cc2cn3ccccc3n2)C[C@H]1C ZINC000247126556 408412455 /nfs/dbraw/zinc/41/24/55/408412455.db2.gz JZOWGURPZAHIFJ-OAHLLOKOSA-N 0 1 302.422 1.877 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247515505 408485567 /nfs/dbraw/zinc/48/55/67/408485567.db2.gz KFCYCYHLVUJCLV-VYDXJSESSA-N 0 1 320.433 1.678 10 0 DDAEMN COC(=O)c1ccc(N2CCN3CCCC[C@H]3C2)nc1OC ZINC000274707380 408501907 /nfs/dbraw/zinc/50/19/07/408501907.db2.gz WSJLBQWYCCBPRV-LBPRGKRZSA-N 0 1 305.378 1.551 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccncc3F)CCO2)n[nH]1 ZINC000184208229 408572163 /nfs/dbraw/zinc/57/21/63/408572163.db2.gz YOULQIDQPOARLV-LLVKDONJSA-N 0 1 306.301 1.253 10 0 DDAEMN C[C@H](C[S@@](C)=O)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000161870807 408648185 /nfs/dbraw/zinc/64/81/85/408648185.db2.gz RFOKTUVDSJLHQV-XCLFUZPHSA-N 0 1 300.443 1.956 10 0 DDAEMN C[C@@H]1CC[C@@H](CN2CCN(C[C@@H](O)c3ccccc3)CC2)O1 ZINC000248887780 408654073 /nfs/dbraw/zinc/65/40/73/408654073.db2.gz HOTCHTVTPKZCAU-BPQIPLTHSA-N 0 1 304.434 1.905 10 0 DDAEMN Cc1ccccc1OC[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177769757 408707977 /nfs/dbraw/zinc/70/79/77/408707977.db2.gz ZCUKYCVFTJNCKQ-SJORKVTESA-N 0 1 304.434 1.905 10 0 DDAEMN C[C@@H]1CC[C@@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000162906999 408743458 /nfs/dbraw/zinc/74/34/58/408743458.db2.gz ILBYCECYBDWBBR-RNFRBKRXSA-N 0 1 319.146 1.975 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cccc(C)n2)CCN1C[C@@H](C)O ZINC000184910805 408715112 /nfs/dbraw/zinc/71/51/12/408715112.db2.gz ONEWSAQJXJWTPB-ZBFHGGJFSA-N 0 1 320.437 1.377 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(O)c2)CCN1C[C@@H](C)O ZINC000184925022 408720200 /nfs/dbraw/zinc/72/02/00/408720200.db2.gz RFSUVEXOLKYEBI-UKRRQHHQSA-N 0 1 321.421 1.379 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2C)CCN1C[C@@H](C)O ZINC000184723787 408675414 /nfs/dbraw/zinc/67/54/14/408675414.db2.gz SGVOFPZHTHVYID-WBVHZDCISA-N 0 1 319.449 1.982 10 0 DDAEMN NC(=O)[C@H](c1ccccc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249576219 408742625 /nfs/dbraw/zinc/74/26/25/408742625.db2.gz PPAMMEAVJCOLTB-JYJNAYRXSA-N 0 1 316.426 1.982 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3nnc(C)s3)CCO2)n[nH]1 ZINC000178012546 408757738 /nfs/dbraw/zinc/75/77/38/408757738.db2.gz KRAXEUYNALDVRC-QMMMGPOBSA-N 0 1 323.382 1.132 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000188577834 163059239 /nfs/dbraw/zinc/05/92/39/163059239.db2.gz KBXZHVNNCIKVRL-CJNGLKHVSA-N 0 1 306.454 1.722 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195504852 163325160 /nfs/dbraw/zinc/32/51/60/163325160.db2.gz JMGFMPRYZZWRMV-CYBMUJFWSA-N 0 1 308.426 1.141 10 0 DDAEMN O=C(CN1CC[C@@H](CNc2ccccn2)C1)NC1CCCC1 ZINC000195515695 163326472 /nfs/dbraw/zinc/32/64/72/163326472.db2.gz YBIGTKBKSYWZJP-AWEZNQCLSA-N 0 1 302.422 1.874 10 0 DDAEMN C[C@@H](COCc1ccccc1)NC(=O)c1cnc(CN)nc1 ZINC000638021027 422563649 /nfs/dbraw/zinc/56/36/49/422563649.db2.gz KWPNSIJLIVEYPW-LBPRGKRZSA-N 0 1 300.362 1.270 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000191346584 276445722 /nfs/dbraw/zinc/44/57/22/276445722.db2.gz BZKGIAIWMGJFEX-QGZVFWFLSA-N 0 1 314.433 1.761 10 0 DDAEMN CC(C)[C@H](C(=O)N1CCN2CCCC[C@H]2C1)N1CCCC1=O ZINC000250289037 280151892 /nfs/dbraw/zinc/15/18/92/280151892.db2.gz OKQGBNZRIJJOBH-GOEBONIOSA-N 0 1 307.438 1.330 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2cccc(F)c2)C[C@H]1C ZINC000246646733 282004077 /nfs/dbraw/zinc/00/40/77/282004077.db2.gz GCBOBXQJSVLVSL-AFJNRPGYSA-N 0 1 306.381 1.752 10 0 DDAEMN C[NH+](C)[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)c1ccc(F)cc1 ZINC000095525504 289272740 /nfs/dbraw/zinc/27/27/40/289272740.db2.gz SZQSPOJUSUFXGU-CYBMUJFWSA-N 0 1 324.352 1.178 10 0 DDAEMN O=C(C[C@H]1COCCN1)Nc1nc(CN2CCCCC2)cs1 ZINC000262359953 295548990 /nfs/dbraw/zinc/54/89/90/295548990.db2.gz KEXRBDLRYPINEY-LBPRGKRZSA-N 0 1 324.450 1.446 10 0 DDAEMN Cc1ccc(O)c(C(=O)NCc2n[nH]c(-c3ccncc3)n2)c1 ZINC000584654323 337377796 /nfs/dbraw/zinc/37/77/96/337377796.db2.gz ASQDRVFXSASLFV-UHFFFAOYSA-N 0 1 309.329 1.811 10 0 DDAEMN NC(=O)c1cnccc1NC[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000302211348 534510151 /nfs/dbraw/zinc/51/01/51/534510151.db2.gz GSQXVLUVFWKJQD-CYBMUJFWSA-N 0 1 323.299 1.927 10 0 DDAEMN O=C(NCCN1CCN(Cc2ccccc2)CC1)n1ccnc1 ZINC000114163229 696660123 /nfs/dbraw/zinc/66/01/23/696660123.db2.gz VJFAWMCAAGXVSR-UHFFFAOYSA-N 0 1 313.405 1.259 10 0 DDAEMN CC(=O)OC1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000133929528 696831385 /nfs/dbraw/zinc/83/13/85/696831385.db2.gz QNJBATFFECDEJN-QGZVFWFLSA-N 0 1 318.417 1.713 10 0 DDAEMN O[C@@H](CN1CCN(CCc2cccnc2)CC1)c1ccccc1 ZINC000172162212 697365189 /nfs/dbraw/zinc/36/51/89/697365189.db2.gz RGYBHJSSNPKZFO-IBGZPJMESA-N 0 1 311.429 1.975 10 0 DDAEMN CCOCC[N@H+]1CCN(C[C@@H](O)c2ccccc2F)C[C@@H]1C ZINC000247112730 698361979 /nfs/dbraw/zinc/36/19/79/698361979.db2.gz IZZUEOOWYCOFGH-WMLDXEAASA-N 0 1 310.413 1.902 10 0 DDAEMN CCOCCN1CCN(C[C@@H](O)c2ccccc2F)C[C@@H]1C ZINC000247112730 698361983 /nfs/dbraw/zinc/36/19/83/698361983.db2.gz IZZUEOOWYCOFGH-WMLDXEAASA-N 0 1 310.413 1.902 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc3occc3c2)CCO1 ZINC000263470019 698508968 /nfs/dbraw/zinc/50/89/68/698508968.db2.gz DLGWPXFFPZZALX-HNNXBMFYSA-N 0 1 318.373 1.650 10 0 DDAEMN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NCc2cnc(C(C)(C)C)nc2)c1 ZINC000888077116 709209682 /nfs/dbraw/zinc/20/96/82/709209682.db2.gz KVHWMYAFZGPABG-RRFJBIMHSA-N 0 1 315.421 1.743 10 0 DDAEMN CC[C@@H](O)[C@H](C)C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000908094358 712685289 /nfs/dbraw/zinc/68/52/89/712685289.db2.gz WQSIQFUHBXBDBO-ZBAXXZLZSA-N 0 1 322.409 1.378 10 0 DDAEMN Cc1n[nH]nc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000074703047 185010398 /nfs/dbraw/zinc/01/03/98/185010398.db2.gz MVTJUUBWZROKIF-UHFFFAOYSA-N 0 1 300.366 1.117 10 0 DDAEMN Cc1cccnc1/C=C/C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248750645 282106252 /nfs/dbraw/zinc/10/62/52/282106252.db2.gz UKXUDDWUYJNULP-CNBITHIKSA-N 0 1 303.406 1.317 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCOC)c1ccc(OCC)cc1 ZINC000081944976 192345670 /nfs/dbraw/zinc/34/56/70/192345670.db2.gz KHWQGWVNXCQQHB-HNNXBMFYSA-N 0 1 315.435 1.797 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)CCc2cncn2C)n[nH]1 ZINC000328670290 231299135 /nfs/dbraw/zinc/29/91/35/231299135.db2.gz GIXYOKZZSGSMHU-CYBMUJFWSA-N 0 1 302.382 1.533 10 0 DDAEMN Cc1nc([C@H]2CCCCN2C(=O)c2cn(C(C)(C)C)nn2)n[nH]1 ZINC000328728042 231323350 /nfs/dbraw/zinc/32/33/50/231323350.db2.gz GPHSHJYRVDDFLP-GFCCVEGCSA-N 0 1 317.397 1.827 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087639978 185229674 /nfs/dbraw/zinc/22/96/74/185229674.db2.gz VQXTVQFJNOQENG-UHFFFAOYSA-N 0 1 311.480 1.602 10 0 DDAEMN NN=c1cc(NCc2sccc2Br)[nH]c(N)n1 ZINC000087896046 185235604 /nfs/dbraw/zinc/23/56/04/185235604.db2.gz VTGPTDULABBIKJ-UHFFFAOYSA-N 0 1 315.200 1.781 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(C)CC(C)(C)C)c1S(N)(=O)=O ZINC000087899240 185236129 /nfs/dbraw/zinc/23/61/29/185236129.db2.gz VUMOJGCHGKRCFY-UHFFFAOYSA-N 0 1 316.427 1.128 10 0 DDAEMN Nc1nc2ccc(Br)cc2n1CC(=O)NC1CC1 ZINC000087836969 185233207 /nfs/dbraw/zinc/23/32/07/185233207.db2.gz YFDILOCKKQQCFB-UHFFFAOYSA-N 0 1 309.167 1.660 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)o1 ZINC000180752257 539236206 /nfs/dbraw/zinc/23/62/06/539236206.db2.gz XOWDGKOAJJFOKS-BZPMIXESSA-N 0 1 309.410 1.746 10 0 DDAEMN CCc1ccc([C@@H](COC)NC[C@@H](O)CN2CCCC2=O)o1 ZINC000184840931 539244881 /nfs/dbraw/zinc/24/48/81/539244881.db2.gz ZYBOAQQUXRRVNV-TZMCWYRMSA-N 0 1 310.394 1.102 10 0 DDAEMN Nc1c2nccnc2sc1C(=O)N[C@@H]1CN2CCC1CC2 ZINC000088639552 185260449 /nfs/dbraw/zinc/26/04/49/185260449.db2.gz ZDRIDWYMAZLAJW-SECBINFHSA-N 0 1 303.391 1.098 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000088875633 185267956 /nfs/dbraw/zinc/26/79/56/185267956.db2.gz AHYDTICFFFISAN-VIFPVBQESA-N 0 1 307.375 1.350 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1cc(CO)cs1 ZINC000088892471 185269888 /nfs/dbraw/zinc/26/98/88/185269888.db2.gz VLJYDKTWFMYORN-UHFFFAOYSA-N 0 1 320.480 1.449 10 0 DDAEMN C[N@H+](Cc1ccccc1Br)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388834 185294142 /nfs/dbraw/zinc/29/41/42/185294142.db2.gz WPQBJSFLMHXKJO-JQWIXIFHSA-N 0 1 314.179 1.981 10 0 DDAEMN C[N@@H+](Cc1ccccc1Br)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090388834 185294143 /nfs/dbraw/zinc/29/41/43/185294143.db2.gz WPQBJSFLMHXKJO-JQWIXIFHSA-N 0 1 314.179 1.981 10 0 DDAEMN NC(=S)CN1CCN(Cc2ccnc3ccccc23)CC1 ZINC000092347822 185313500 /nfs/dbraw/zinc/31/35/00/185313500.db2.gz APEBPNJMPRIJJE-UHFFFAOYSA-N 0 1 300.431 1.639 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1sc(N)nc1C ZINC000092634012 185330388 /nfs/dbraw/zinc/33/03/88/185330388.db2.gz SNFBTYBMHZPESK-SNVBAGLBSA-N 0 1 318.468 1.139 10 0 DDAEMN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780828 185340051 /nfs/dbraw/zinc/34/00/51/185340051.db2.gz VTURNMFDRWZNEY-SKDRFNHKSA-N 0 1 302.403 1.631 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC[C@H](C(F)(F)F)C1 ZINC000092780372 185340441 /nfs/dbraw/zinc/34/04/41/185340441.db2.gz NKDAVGVUSUCMFD-WCBMZHEXSA-N 0 1 302.300 1.225 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616629822 362763551 /nfs/dbraw/zinc/76/35/51/362763551.db2.gz QRFSFPXWKAZUHL-GFCCVEGCSA-N 0 1 309.414 1.899 10 0 DDAEMN CC(C)[N@@H+]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000173884703 198263664 /nfs/dbraw/zinc/26/36/64/198263664.db2.gz LZSHVQCFAQBNBP-GWCFXTLKSA-N 0 1 318.389 1.972 10 0 DDAEMN CCOC(=O)CCCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000081545432 192287439 /nfs/dbraw/zinc/28/74/39/192287439.db2.gz APCQIUHGYOTHPO-CYBMUJFWSA-N 0 1 311.403 1.838 10 0 DDAEMN C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328975532 295924185 /nfs/dbraw/zinc/92/41/85/295924185.db2.gz CRQPLKSXJJYIGG-GJZGRUSLSA-N 0 1 306.410 1.015 10 0 DDAEMN Nc1cc(F)c(F)c(S(=O)(=O)NCCC(F)(F)F)c1 ZINC000086583084 192585604 /nfs/dbraw/zinc/58/56/04/192585604.db2.gz JODUIFYWCAODAH-UHFFFAOYSA-N 0 1 304.240 1.778 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCc3ccccc3)CCO2)n[nH]1 ZINC000178012330 198804348 /nfs/dbraw/zinc/80/43/48/198804348.db2.gz ZOQNQCNXBBUYRG-ZDUSSCGKSA-N 0 1 315.377 1.650 10 0 DDAEMN C[C@@H](N)c1nc(CN2CCN(c3ccccn3)CC2)cs1 ZINC000090957949 192964718 /nfs/dbraw/zinc/96/47/18/192964718.db2.gz ADTMYOFTSXCNDP-GFCCVEGCSA-N 0 1 303.435 1.880 10 0 DDAEMN Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)[n-]c(=O)c1Br ZINC000091687348 193091103 /nfs/dbraw/zinc/09/11/03/193091103.db2.gz SJIIWWYDYMWWQI-RKDXNWHRSA-N 0 1 314.183 1.377 10 0 DDAEMN Cc1ccc(O)c(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000091996700 193138673 /nfs/dbraw/zinc/13/86/73/193138673.db2.gz BGUWQOIOQVYQCG-GFCCVEGCSA-N 0 1 304.268 1.935 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093850548 193317425 /nfs/dbraw/zinc/31/74/25/193317425.db2.gz MEQZVOPEJCJCTM-QMTHXVAHSA-N 0 1 310.423 1.520 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093852127 193318833 /nfs/dbraw/zinc/31/88/33/193318833.db2.gz ZVFQXAZZQQIFQD-OQPBUACISA-N 0 1 307.379 1.258 10 0 DDAEMN CCN1CCO[C@@H](c2nc(C)c(Br)c(=O)[nH]2)C1 ZINC000093897501 193324522 /nfs/dbraw/zinc/32/45/22/193324522.db2.gz UYGUBQYSDNSSTE-MRVPVSSYSA-N 0 1 302.172 1.234 10 0 DDAEMN CC1(C)CSC[C@H]([N@@H+](CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)C1 ZINC000094491570 193373374 /nfs/dbraw/zinc/37/33/74/193373374.db2.gz YUXXWIRDJRIRDU-GHMZBOCLSA-N 0 1 321.464 1.092 10 0 DDAEMN NNc1c(C(=O)NCc2nnc[nH]2)cccc1C(F)(F)F ZINC000094599617 193382836 /nfs/dbraw/zinc/38/28/36/193382836.db2.gz BTNHAUJOFHPSRA-UHFFFAOYSA-N 0 1 300.244 1.039 10 0 DDAEMN Brc1ccc2nc(NCCc3nc[nH]n3)nn2c1 ZINC000094606420 193384436 /nfs/dbraw/zinc/38/44/36/193384436.db2.gz ZWQKROMJEZHWFP-UHFFFAOYSA-N 0 1 308.143 1.265 10 0 DDAEMN Cc1ccc(NS(=O)(=O)c2ccc(C(N)=S)cc2)nc1 ZINC000021500555 182274805 /nfs/dbraw/zinc/27/48/05/182274805.db2.gz AEGBYORMQOBWTI-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN CN1CCC[C@@H](NC(=O)c2ccc(Br)c(N)c2)C1 ZINC000040671593 183115416 /nfs/dbraw/zinc/11/54/16/183115416.db2.gz AZNMVFDQXDLFLG-SNVBAGLBSA-N 0 1 312.211 1.855 10 0 DDAEMN Nc1c(Nc2ccncc2)ncnc1-n1nnc2ccccc21 ZINC000040687705 183117732 /nfs/dbraw/zinc/11/77/32/183117732.db2.gz MUSLGBFBTUIUSS-UHFFFAOYSA-N 0 1 304.317 1.931 10 0 DDAEMN [NH3+]Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCO)cc1 ZINC000040739071 183127331 /nfs/dbraw/zinc/12/73/31/183127331.db2.gz XCNJTDSCGQSKMJ-UHFFFAOYSA-N 0 1 306.387 1.481 10 0 DDAEMN CSc1ccc(NS(=O)(=O)c2cnc(NN)nc2)cc1 ZINC000041071048 183162603 /nfs/dbraw/zinc/16/26/03/183162603.db2.gz MRJVWQDEHLDDDE-UHFFFAOYSA-N 0 1 311.392 1.285 10 0 DDAEMN COCCNC(=O)[C@H](C)NCc1ccc(Br)cc1 ZINC000042240123 183245520 /nfs/dbraw/zinc/24/55/20/183245520.db2.gz QJQIVWMEQRKFTH-JTQLQIEISA-N 0 1 315.211 1.690 10 0 DDAEMN O=C([O-])C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000042162983 183237337 /nfs/dbraw/zinc/23/73/37/183237337.db2.gz BZRRXLQPQQBXHT-LBPRGKRZSA-N 0 1 308.403 1.572 10 0 DDAEMN CNC(=O)[C@@H](C)NCc1cc(Br)c(O)c(OC)c1 ZINC000042341808 183256621 /nfs/dbraw/zinc/25/66/21/183256621.db2.gz IBLYNVRWTTYFAD-SSDOTTSWSA-N 0 1 317.183 1.387 10 0 DDAEMN CCc1nc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n[nH]1 ZINC000284713950 218144824 /nfs/dbraw/zinc/14/48/24/218144824.db2.gz UITHTQVWPVWOGZ-HNNXBMFYSA-N 0 1 319.413 1.023 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105801390 194131931 /nfs/dbraw/zinc/13/19/31/194131931.db2.gz SYDSLLYDSDBXGU-HNNXBMFYSA-N 0 1 319.453 1.554 10 0 DDAEMN Cc1cnn(C[C@@H]2CN(CCCOCC(F)(F)F)CCO2)c1 ZINC000105892835 194160770 /nfs/dbraw/zinc/16/07/70/194160770.db2.gz WDPUBDHZNMXWJS-ZDUSSCGKSA-N 0 1 321.343 1.861 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932905 194173636 /nfs/dbraw/zinc/17/36/36/194173636.db2.gz FRIBTISCGBOFFW-GDBMZVCRSA-N 0 1 317.433 1.275 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1cccc(Cl)c1 ZINC000105932683 194173710 /nfs/dbraw/zinc/17/37/10/194173710.db2.gz OYEUFIYSTURNMB-RISCZKNCSA-N 0 1 311.813 1.587 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000109465021 194265869 /nfs/dbraw/zinc/26/58/69/194265869.db2.gz RTOSGVVNIVCYPM-STQMWFEESA-N 0 1 313.467 1.012 10 0 DDAEMN C[C@H](NC(=O)c1cc(Cl)c2ccccc2n1)c1nn[nH]n1 ZINC000109596384 194276020 /nfs/dbraw/zinc/27/60/20/194276020.db2.gz USXJDKJKAQDMGU-ZETCQYMHSA-N 0 1 302.725 1.892 10 0 DDAEMN COCCNC(=O)[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000059514842 184139402 /nfs/dbraw/zinc/13/94/02/184139402.db2.gz NYZFRMRYPGWLDX-SNVBAGLBSA-N 0 1 304.312 1.946 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1c(N)cccc1F ZINC000061642666 184180382 /nfs/dbraw/zinc/18/03/82/184180382.db2.gz ZZPBSIVVHHOGPN-SNVBAGLBSA-N 0 1 301.387 1.123 10 0 DDAEMN CCOc1ccc(S(=O)(=O)N2[C@@H](C)CNC[C@@H]2C)cc1C ZINC000069133709 184500040 /nfs/dbraw/zinc/50/00/40/184500040.db2.gz YMHZLNDQWCEZBJ-STQMWFEESA-N 0 1 312.435 1.765 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000120673467 195212580 /nfs/dbraw/zinc/21/25/80/195212580.db2.gz LOUBQSOLUKDLEZ-LSDHHAIUSA-N 0 1 314.433 1.964 10 0 DDAEMN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccoc2)O1 ZINC000248066767 257111165 /nfs/dbraw/zinc/11/11/65/257111165.db2.gz ZXFZVTWDXBDWQF-JYJNAYRXSA-N 0 1 322.405 1.506 10 0 DDAEMN O=C([C@@H]1CC[C@H]2[C@H](CCN2Cc2cccnc2)O1)N1CCCO1 ZINC000247770130 257117391 /nfs/dbraw/zinc/11/73/91/257117391.db2.gz NYJAGDRTWVAAIL-JYJNAYRXSA-N 0 1 317.389 1.367 10 0 DDAEMN CCNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186023039 407566032 /nfs/dbraw/zinc/56/60/32/407566032.db2.gz YVRACACHEVZOIM-XQQFMLRXSA-N 0 1 311.426 1.358 10 0 DDAEMN Cc1ccc(C(=O)[O-])c(N2CCC[C@]3(CN(C)C(=O)O3)C2)[nH+]1 ZINC000072420094 406881565 /nfs/dbraw/zinc/88/15/65/406881565.db2.gz JROFDKOJXHDWMF-HNNXBMFYSA-N 0 1 305.334 1.509 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000075981791 406948344 /nfs/dbraw/zinc/94/83/44/406948344.db2.gz XPWJIQYPQACHRX-OCCSQVGLSA-N 0 1 303.410 1.041 10 0 DDAEMN O=S(=O)(c1ccccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000036520851 406980742 /nfs/dbraw/zinc/98/07/42/406980742.db2.gz PBALDNXUTOWTCG-LLVKDONJSA-N 0 1 300.811 1.809 10 0 DDAEMN CC[C@](C)(O)CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000123499295 407330270 /nfs/dbraw/zinc/33/02/70/407330270.db2.gz XEZCWKAKPIOFNW-SFHVURJKSA-N 0 1 304.434 1.843 10 0 DDAEMN CCOc1cc(CN2CCN(C[C@@H](O)CC)CC2)ccc1OC ZINC000123530629 407331326 /nfs/dbraw/zinc/33/13/26/407331326.db2.gz IYRBRZWALBTFEL-INIZCTEOSA-N 0 1 322.449 1.982 10 0 DDAEMN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000105317790 407353854 /nfs/dbraw/zinc/35/38/54/407353854.db2.gz QYAYUASIURPRSG-ZDUSSCGKSA-N 0 1 313.442 1.844 10 0 DDAEMN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C)CC1 ZINC000105317790 407353855 /nfs/dbraw/zinc/35/38/55/407353855.db2.gz QYAYUASIURPRSG-ZDUSSCGKSA-N 0 1 313.442 1.844 10 0 DDAEMN CCCC[C@@H](C(=O)OC)N1CCN(CCOC)[C@H](CC)C1 ZINC000105914385 407357501 /nfs/dbraw/zinc/35/75/01/407357501.db2.gz YHZPLFIBILROJO-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2OC)C1 ZINC000127115711 407428481 /nfs/dbraw/zinc/42/84/81/407428481.db2.gz JZVQOIAQTWTPDX-GFCCVEGCSA-N 0 1 323.368 1.373 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185678270 407476656 /nfs/dbraw/zinc/47/66/56/407476656.db2.gz DPERADVVDIWOOW-SWLSCSKDSA-N 0 1 311.389 1.780 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@@H](C(=O)[O-])c2ccsc2)[C@@H]1[NH3+] ZINC000256000214 407478313 /nfs/dbraw/zinc/47/83/13/407478313.db2.gz RUAXIWPBNOJHME-MXWKQRLJSA-N 0 1 312.391 1.432 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)[C@H]1[NH3+] ZINC000256000215 407478675 /nfs/dbraw/zinc/47/86/75/407478675.db2.gz RUAXIWPBNOJHME-OUAUKWLOSA-N 0 1 312.391 1.432 10 0 DDAEMN CSCc1noc(CCC(=O)N2CCN3CCCC[C@@H]3C2)n1 ZINC000178521883 407482395 /nfs/dbraw/zinc/48/23/95/407482395.db2.gz NWHNZNRWKKBYDE-GFCCVEGCSA-N 0 1 324.450 1.562 10 0 DDAEMN CN(C)C(=O)[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1CO ZINC000257187830 407483259 /nfs/dbraw/zinc/48/32/59/407483259.db2.gz CIKVAERAYSUVBA-NWDGAFQWSA-N 0 1 314.788 1.608 10 0 DDAEMN CCO[C@H]1C[C@H](NC(=O)Cc2cc(C)n[nH]2)C12CCOCC2 ZINC000186454764 407672121 /nfs/dbraw/zinc/67/21/21/407672121.db2.gz LZQMVHPWHLMLEV-KBPBESRZSA-N 0 1 307.394 1.351 10 0 DDAEMN CCO[C@@H]1C[C@H](NCc2nnc3n2CCCC3)C12CCOCC2 ZINC000186504435 407686634 /nfs/dbraw/zinc/68/66/34/407686634.db2.gz FVKJEGNXWIBXFQ-UONOGXRCSA-N 0 1 320.437 1.678 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOC1=O ZINC000171617985 407719044 /nfs/dbraw/zinc/71/90/44/407719044.db2.gz NQULMVZYMYRODW-HNNXBMFYSA-N 0 1 319.405 1.118 10 0 DDAEMN O[C@@H](CN1CCC[C@H](n2cncn2)C1)c1c(F)cccc1F ZINC000171619453 407720760 /nfs/dbraw/zinc/72/07/60/407720760.db2.gz JRUUZSJBNDJPCZ-FZMZJTMJSA-N 0 1 308.332 1.927 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000186639867 407727081 /nfs/dbraw/zinc/72/70/81/407727081.db2.gz IOORACQBXLHATQ-UHFFFAOYSA-N 0 1 318.417 1.935 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)[nH]1 ZINC000171804029 407769581 /nfs/dbraw/zinc/76/95/81/407769581.db2.gz XDNIFBROGPAIEE-JSGCOSHPSA-N 0 1 313.361 1.661 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000262275402 407782488 /nfs/dbraw/zinc/78/24/88/407782488.db2.gz KZRSMGDOWZKDFB-WFASDCNBSA-N 0 1 308.422 1.841 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000262324873 407799641 /nfs/dbraw/zinc/79/96/41/407799641.db2.gz QWIVMJXVKMPQDX-JTQLQIEISA-N 0 1 317.183 1.048 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000262328183 407800967 /nfs/dbraw/zinc/80/09/67/407800967.db2.gz RIEYLLCFUSGXKZ-IAGOWNOFSA-N 0 1 314.385 1.897 10 0 DDAEMN CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2)CCN1C[C@@H](C)O ZINC000117879953 407866644 /nfs/dbraw/zinc/86/66/44/407866644.db2.gz IZCBTYGRAWXFOW-OIISXLGYSA-N 0 1 320.433 1.678 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)[nH]n1 ZINC000173558457 407887630 /nfs/dbraw/zinc/88/76/30/407887630.db2.gz JKNQRGHVCSHFHL-GFCCVEGCSA-N 0 1 318.381 1.256 10 0 DDAEMN O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262655389 407890731 /nfs/dbraw/zinc/89/07/31/407890731.db2.gz LLWNWWRGBWDQNC-RNJXMRFFSA-N 0 1 303.288 1.683 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CSCCC(C)C)C1 ZINC000262723270 407910217 /nfs/dbraw/zinc/91/02/17/407910217.db2.gz QXPFPHXNKGCRGB-UHFFFAOYSA-N 0 1 316.467 1.819 10 0 DDAEMN CNC(=O)Cn1ccc2ccc(NC(=O)[C@H]3C[C@H](F)CN3)cc21 ZINC000188488310 407949238 /nfs/dbraw/zinc/94/92/38/407949238.db2.gz OPYKYFOXXZBIMU-WCQYABFASA-N 0 1 318.352 1.026 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2cnn(C)c2C)CCN1CCOC ZINC000135102409 407974396 /nfs/dbraw/zinc/97/43/96/407974396.db2.gz ILZWXYVRVWRGCV-MRXNPFEDSA-N 0 1 322.453 1.230 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC000262761922 407919110 /nfs/dbraw/zinc/91/91/10/407919110.db2.gz ZTVCLACHXSVYQL-PKSQDBQZSA-N 0 1 310.419 1.905 10 0 DDAEMN COCCOc1ccc(CN2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000153928677 407931908 /nfs/dbraw/zinc/93/19/08/407931908.db2.gz AICJBLQLJIJIQO-MRXNPFEDSA-N 0 1 306.406 1.812 10 0 DDAEMN C[C@@H](C(=O)[O-])[N@@H+](CCC(=O)N1CCc2ccccc21)C1CC1 ZINC000263178886 408048156 /nfs/dbraw/zinc/04/81/56/408048156.db2.gz TXQFVSSGCGUSTA-LBPRGKRZSA-N 0 1 302.374 1.903 10 0 DDAEMN CCC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nnc[nH]2)C1 ZINC000181364341 407984366 /nfs/dbraw/zinc/98/43/66/407984366.db2.gz BCMGGNJHJPIKLT-QWHCGFSZSA-N 0 1 319.409 1.507 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCN(CCOC)[C@H](C)C1 ZINC000182137777 408078217 /nfs/dbraw/zinc/07/82/17/408078217.db2.gz DDYBXSAWBDNBJL-HUUCEWRRSA-N 0 1 300.443 1.617 10 0 DDAEMN COCCCCCNC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175466329 408137037 /nfs/dbraw/zinc/13/70/37/408137037.db2.gz CQORJZSIFRFJKG-GFCCVEGCSA-N 0 1 311.386 1.013 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H]3CCC[C@H]32)C1 ZINC000263465660 408146295 /nfs/dbraw/zinc/14/62/95/408146295.db2.gz JZMJFTPIHFGTBA-VXGQWTEUSA-N 0 1 323.437 1.898 10 0 DDAEMN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@H+](C[C@H](C)Cc1ccccc1)C2 ZINC000263532474 408163626 /nfs/dbraw/zinc/16/36/26/408163626.db2.gz XGVZOAMOKWHDKU-DOMZBBRYSA-N 0 1 314.389 1.734 10 0 DDAEMN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@@H+](C[C@H](C)Cc1ccccc1)C2 ZINC000263532474 408163630 /nfs/dbraw/zinc/16/36/30/408163630.db2.gz XGVZOAMOKWHDKU-DOMZBBRYSA-N 0 1 314.389 1.734 10 0 DDAEMN CCc1ccc(CC[N@@H+]2Cc3nnc(C)n3C[C@H]2C(=O)[O-])cc1 ZINC000263581812 408183746 /nfs/dbraw/zinc/18/37/46/408183746.db2.gz XRURXSBUCZCZGC-HNNXBMFYSA-N 0 1 314.389 1.660 10 0 DDAEMN CCc1ccc(CC[N@H+]2Cc3nnc(C)n3C[C@H]2C(=O)[O-])cc1 ZINC000263581812 408183750 /nfs/dbraw/zinc/18/37/50/408183750.db2.gz XRURXSBUCZCZGC-HNNXBMFYSA-N 0 1 314.389 1.660 10 0 DDAEMN C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246557649 408291265 /nfs/dbraw/zinc/29/12/65/408291265.db2.gz UQPFPXGHRCGGDI-GDBMZVCRSA-N 0 1 300.406 1.487 10 0 DDAEMN COCCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190651734 408295031 /nfs/dbraw/zinc/29/50/31/408295031.db2.gz QKRZSONWPJZKSE-MRXNPFEDSA-N 0 1 305.422 1.789 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1nnc2n1CCCC2 ZINC000135278659 162097660 /nfs/dbraw/zinc/09/76/60/162097660.db2.gz RTLJAZPPFHZKAE-MNOVXSKESA-N 0 1 314.393 1.635 10 0 DDAEMN CCCCO[C@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000246809183 408346071 /nfs/dbraw/zinc/34/60/71/408346071.db2.gz KLOPAWSQEFDTBF-KFWWJZLASA-N 0 1 300.443 1.495 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CCc3ccccc3O)CCO2)n[nH]1 ZINC000173605807 162350915 /nfs/dbraw/zinc/35/09/15/162350915.db2.gz OVAOQYJCLXEETA-AWEZNQCLSA-N 0 1 316.361 1.351 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nc(C(C)(C)C)no3)CCO2)n[nH]1 ZINC000173660398 162353407 /nfs/dbraw/zinc/35/34/07/162353407.db2.gz YXNFFRLEXIFSBP-JTQLQIEISA-N 0 1 306.370 1.367 10 0 DDAEMN O[C@H](CN1CC[C@H](N2CCOCC2)C1)c1ccc(F)cc1F ZINC000173945243 162379851 /nfs/dbraw/zinc/37/98/51/162379851.db2.gz JCTBGLISPTWZRS-XJKSGUPXSA-N 0 1 312.360 1.405 10 0 DDAEMN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173943976 162381018 /nfs/dbraw/zinc/38/10/18/162381018.db2.gz YDOMHLAMDRYPSI-WBVHZDCISA-N 0 1 323.481 1.478 10 0 DDAEMN CCOCCN1CCN(Cc2nccn2C(F)F)C[C@H]1C ZINC000247377707 408458716 /nfs/dbraw/zinc/45/87/16/408458716.db2.gz VLMWLGJYLITISS-GFCCVEGCSA-N 0 1 302.369 1.821 10 0 DDAEMN O=S(=O)(c1cc(F)c(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000247235264 408433619 /nfs/dbraw/zinc/43/36/19/408433619.db2.gz DHOVQXWSJFVLOL-VIFPVBQESA-N 0 1 320.336 1.573 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000176762513 408436122 /nfs/dbraw/zinc/43/61/22/408436122.db2.gz UAIFHYHYDSIZQD-GDBMZVCRSA-N 0 1 315.417 1.039 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccccc3F)CCO2)n[nH]1 ZINC000176945222 408482463 /nfs/dbraw/zinc/48/24/63/408482463.db2.gz YEOWNIWMXJKVOJ-GFCCVEGCSA-N 0 1 305.313 1.858 10 0 DDAEMN CCCC[C@@H](C(=O)OC)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247400336 408464517 /nfs/dbraw/zinc/46/45/17/408464517.db2.gz YHZPLFIBILROJO-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000177754463 408704118 /nfs/dbraw/zinc/70/41/18/408704118.db2.gz HVLFEIGUNZIQEN-OAHLLOKOSA-N 0 1 319.474 1.803 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C(C)(C)CCOC)CCO2)n[nH]1 ZINC000184988096 408732939 /nfs/dbraw/zinc/73/29/39/408732939.db2.gz VFWOFPNRAMTPAV-NSHDSACASA-N 0 1 310.398 1.330 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246806428 163518593 /nfs/dbraw/zinc/51/85/93/163518593.db2.gz BMDMJIMBKFZIBQ-GXTWGEPZSA-N 0 1 323.441 1.571 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000261766765 163699219 /nfs/dbraw/zinc/69/92/19/163699219.db2.gz QHRUUORIFJKNOX-CYBMUJFWSA-N 0 1 317.345 1.122 10 0 DDAEMN CN(C)[C@H]1CCN(c2ncnc3ccc(S(C)(=O)=O)cc32)C1 ZINC000302920682 409523455 /nfs/dbraw/zinc/52/34/55/409523455.db2.gz ZKZBXDYWYWWCDY-NSHDSACASA-N 0 1 320.418 1.174 10 0 DDAEMN Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)ccc1F ZINC000527562332 421413837 /nfs/dbraw/zinc/41/38/37/421413837.db2.gz RXXWKEQIVLSIFH-DYEKYZERSA-N 0 1 318.352 1.537 10 0 DDAEMN Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccon2)CCCN1C ZINC000583621142 422208319 /nfs/dbraw/zinc/20/83/19/422208319.db2.gz BVEMMGKYQPIGHI-SMDDNHRTSA-N 0 1 303.366 1.221 10 0 DDAEMN CCC1=C(C(=O)N2C[C@H](OC)C[C@H]2c2nnc[nH]2)CCCO1 ZINC000583621119 422208340 /nfs/dbraw/zinc/20/83/40/422208340.db2.gz VBVYJZUWTSQOMK-PWSUYJOCSA-N 0 1 306.366 1.568 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC000262711878 276087385 /nfs/dbraw/zinc/08/73/85/276087385.db2.gz LWZWUMWYGFGLFG-SSDMNJCBSA-N 0 1 302.374 1.380 10 0 DDAEMN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(O)c1Br ZINC000315452980 280040568 /nfs/dbraw/zinc/04/05/68/280040568.db2.gz QYUNXZFOGLREET-SCZZXKLOSA-N 0 1 313.195 1.911 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cnc1Cl ZINC000117363452 281082536 /nfs/dbraw/zinc/08/25/36/281082536.db2.gz BYUQWSFESNXSGO-JTQLQIEISA-N 0 1 303.815 1.368 10 0 DDAEMN Cn1cc(N2CCC[C@H](N3CCN4CCCC[C@H]4C3)C2=O)cn1 ZINC000248366854 294247572 /nfs/dbraw/zinc/24/75/72/294247572.db2.gz SPVCRYIDSZQRSZ-HOCLYGCPSA-N 0 1 317.437 1.086 10 0 DDAEMN Cc1c(CCS(C)(=O)=O)cccc1-c1cnnc(O)c1O ZINC000584630501 337376646 /nfs/dbraw/zinc/37/66/46/337376646.db2.gz JGVGOFYXWSCATL-UHFFFAOYSA-N 0 1 308.359 1.450 10 0 DDAEMN CCn1cc(C2CCN(C[C@H](C)CS(C)(=O)=O)CC2)cn1 ZINC000163343986 523356364 /nfs/dbraw/zinc/35/63/64/523356364.db2.gz FWBGZDALAJEBEC-ZDUSSCGKSA-N 0 1 313.467 1.763 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000189329885 697574911 /nfs/dbraw/zinc/57/49/11/697574911.db2.gz BUKMQNBIQPGKTM-OLZOCXBDSA-N 0 1 311.426 1.454 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c(Cl)n1 ZINC000189588145 697577508 /nfs/dbraw/zinc/57/75/08/697577508.db2.gz DBZJNIRRINEFHN-JTQLQIEISA-N 0 1 303.815 1.368 10 0 DDAEMN C[C@H](N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nnnn1C ZINC000189846672 697581251 /nfs/dbraw/zinc/58/12/51/697581251.db2.gz VHBMMWIAOOUVRL-TUAOUCFPSA-N 0 1 324.429 1.554 10 0 DDAEMN CCCOC(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000246599076 698352253 /nfs/dbraw/zinc/35/22/53/698352253.db2.gz GCZIHTXNMZYUNJ-CABCVRRESA-N 0 1 300.443 1.761 10 0 DDAEMN COCCN1[C@H](C)CN(C(=O)N[C@H](C)[C@@H]2CCCO2)C[C@@H]1C ZINC000246577078 698352439 /nfs/dbraw/zinc/35/24/39/698352439.db2.gz NBIAQBKPTPZCQC-BARDWOONSA-N 0 1 313.442 1.305 10 0 DDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CN3C[C@@H](C)CC3=O)C2)n1 ZINC000246949869 698358082 /nfs/dbraw/zinc/35/80/82/698358082.db2.gz FMHKIMRJWWKSST-SWLSCSKDSA-N 0 1 305.426 1.433 10 0 DDAEMN COCCN1CCN(Cn2nc(C)sc2=S)C[C@@H]1C ZINC000247035421 698360101 /nfs/dbraw/zinc/36/01/01/698360101.db2.gz IPLZFQWYISCGHB-JTQLQIEISA-N 0 1 302.469 1.593 10 0 DDAEMN Cc1nc(C)c(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)o1 ZINC000262727580 698479111 /nfs/dbraw/zinc/47/91/11/698479111.db2.gz TYCXAEZNNOBVHD-UHFFFAOYSA-N 0 1 321.377 1.349 10 0 DDAEMN Cc1occc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262761875 698479344 /nfs/dbraw/zinc/47/93/44/698479344.db2.gz ZSWYVKCQGYRADL-UHFFFAOYSA-N 0 1 306.362 1.645 10 0 DDAEMN Cc1ccc2nc(CN3CCC([N@@H+](C)CC(=O)[O-])CC3)cn2c1 ZINC000262863905 698482114 /nfs/dbraw/zinc/48/21/14/698482114.db2.gz BQKGWQBZLMHGKQ-UHFFFAOYSA-N 0 1 316.405 1.624 10 0 DDAEMN CCSCCCNC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263409348 698505289 /nfs/dbraw/zinc/50/52/89/698505289.db2.gz ULMVESMDWGQSSZ-UHFFFAOYSA-N 0 1 317.455 1.366 10 0 DDAEMN O=C(N1CCCC1)[C@]1(O)CCCN(Cc2ccc(O)c(F)c2)C1 ZINC000894367773 711090363 /nfs/dbraw/zinc/09/03/63/711090363.db2.gz VNXXKWYXTUAJME-KRWDZBQOSA-N 0 1 322.380 1.481 10 0 DDAEMN CC[NH2+][C@H]1CCC2(C[C@H]1Sc1nccc(=O)[n-]1)OCCO2 ZINC000081774311 192322628 /nfs/dbraw/zinc/32/26/28/192322628.db2.gz WZNREXPORFONMU-WDEREUQCSA-N 0 1 311.407 1.548 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248607316 282093573 /nfs/dbraw/zinc/09/35/73/282093573.db2.gz KEFREVPAFIZUCA-XUXIUFHCSA-N 0 1 313.442 1.039 10 0 DDAEMN Cc1ncsc1C[N@H+](C)C[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000248645230 282095672 /nfs/dbraw/zinc/09/56/72/282095672.db2.gz GBELWMHRGKISGN-KGLIPLIRSA-N 0 1 322.478 1.436 10 0 DDAEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)no1 ZINC000079427322 185171021 /nfs/dbraw/zinc/17/10/21/185171021.db2.gz GDWNHJIACBQGGL-GFCCVEGCSA-N 0 1 308.382 1.700 10 0 DDAEMN CCN[C@@H](CS(=O)(=O)CCOC)c1ccc2c(c1)OCO2 ZINC000081944417 192345448 /nfs/dbraw/zinc/34/54/48/192345448.db2.gz MPJLMQSVCBFRTL-LBPRGKRZSA-N 0 1 315.391 1.127 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(CC)[C@H](C)CC)c1S(N)(=O)=O ZINC000087895426 185235351 /nfs/dbraw/zinc/23/53/51/185235351.db2.gz FACRTDZLUCROCL-SECBINFHSA-N 0 1 316.427 1.270 10 0 DDAEMN CC[C@H](C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895619 185235494 /nfs/dbraw/zinc/23/54/94/185235494.db2.gz NDEPKKSLVMZTDW-VIFPVBQESA-N 0 1 316.427 1.299 10 0 DDAEMN O=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCNCC1 ZINC000088172177 185241045 /nfs/dbraw/zinc/24/10/45/185241045.db2.gz KQZHNKONDFTQIV-UHFFFAOYSA-N 0 1 302.161 1.364 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178809271 539233127 /nfs/dbraw/zinc/23/31/27/539233127.db2.gz LINKWUCAXARKRS-LBPRGKRZSA-N 0 1 321.425 1.177 10 0 DDAEMN COc1ccc([C@@H](C)NCC(=O)Nc2nncs2)cc1OC ZINC000180875325 539236355 /nfs/dbraw/zinc/23/63/55/539236355.db2.gz MAWJBFQZJUZQRY-SECBINFHSA-N 0 1 322.390 1.845 10 0 DDAEMN COc1ccc(Br)c(NC(=O)[C@@]2(N)CCOC2)c1 ZINC000088321191 185245495 /nfs/dbraw/zinc/24/54/95/185245495.db2.gz GVUYJRJLWNFLNJ-GFCCVEGCSA-N 0 1 315.167 1.514 10 0 DDAEMN Cc1ncc(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)[nH]1 ZINC000623173414 365697300 /nfs/dbraw/zinc/69/73/00/365697300.db2.gz BRFFYHKHLLHGNV-PRHODGIISA-N 0 1 317.349 1.581 10 0 DDAEMN CCN(c1cccc(C)c1)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088884816 185268722 /nfs/dbraw/zinc/26/87/22/185268722.db2.gz HJKFCKHKFCPHCJ-UHFFFAOYSA-N 0 1 309.391 1.734 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1ccccc1F ZINC000088886043 185268949 /nfs/dbraw/zinc/26/89/49/185268949.db2.gz AYKSIUYMVUIADW-UHFFFAOYSA-N 0 1 313.354 1.170 10 0 DDAEMN CCN1CCC(N(C)S(=O)(=O)c2csc(CO)c2)CC1 ZINC000088891788 185269745 /nfs/dbraw/zinc/26/97/45/185269745.db2.gz XZCCSSXEJDBTAO-UHFFFAOYSA-N 0 1 318.464 1.345 10 0 DDAEMN CN[C@@H](CS(=O)(=O)C1CCOCC1)c1cccc(OC)c1 ZINC000081990220 192351048 /nfs/dbraw/zinc/35/10/48/192351048.db2.gz HANSJTKGVMEOHP-HNNXBMFYSA-N 0 1 313.419 1.550 10 0 DDAEMN C[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388923 185294026 /nfs/dbraw/zinc/29/40/26/185294026.db2.gz MOXXLGDGAFLFGM-JOYOIKCWSA-N 0 1 312.753 1.310 10 0 DDAEMN C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388923 185294027 /nfs/dbraw/zinc/29/40/27/185294027.db2.gz MOXXLGDGAFLFGM-JOYOIKCWSA-N 0 1 312.753 1.310 10 0 DDAEMN CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1cccnc1 ZINC000090700307 185310453 /nfs/dbraw/zinc/31/04/53/185310453.db2.gz ARNYFJUUWNQYQX-LBPRGKRZSA-N 0 1 315.464 1.139 10 0 DDAEMN CCNc1ccncc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092672240 185332979 /nfs/dbraw/zinc/33/29/79/185332979.db2.gz MMUDYOSEAIPGHO-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000092622051 185329946 /nfs/dbraw/zinc/32/99/46/185329946.db2.gz GQGTUAHNEAGJNO-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN COc1ccc([C@@H](N)C[S@](=O)C2CCOCC2)c(OC)c1 ZINC000084053263 192397422 /nfs/dbraw/zinc/39/74/22/192397422.db2.gz FKNMHTYCIQQKJC-LHSJRXKWSA-N 0 1 313.419 1.631 10 0 DDAEMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC000139458606 186022676 /nfs/dbraw/zinc/02/26/76/186022676.db2.gz UYDXREHBQXMXQS-OAHLLOKOSA-N 0 1 316.409 1.714 10 0 DDAEMN C[C@H](C(=O)NCc1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000172803552 198151474 /nfs/dbraw/zinc/15/14/74/198151474.db2.gz BMFFYIPBTNZVQY-NVXWUHKLSA-N 0 1 301.434 1.861 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(F)cc2F)CCN1C[C@@H](C)O ZINC000174639975 198364035 /nfs/dbraw/zinc/36/40/35/198364035.db2.gz CJBDIJFRIFFBRM-YPMHNXCESA-N 0 1 312.360 1.882 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833233 353936781 /nfs/dbraw/zinc/93/67/81/353936781.db2.gz RACAEAXQIUUBFV-IAGOWNOFSA-N 0 1 322.449 1.387 10 0 DDAEMN COc1ccc(C(=O)Nc2cnc(-n3cccn3)[nH]c2=O)cc1 ZINC000199800632 354305927 /nfs/dbraw/zinc/30/59/27/354305927.db2.gz DQDHTJTWTAEHJT-UHFFFAOYSA-N 0 1 311.301 1.217 10 0 DDAEMN NS(=O)(=O)N[C@H]1c2c(cc(F)cc2Cl)CC1(F)F ZINC000210733576 354309261 /nfs/dbraw/zinc/30/92/61/354309261.db2.gz DXQPYCNDFRDILH-QMMMGPOBSA-N 0 1 300.689 1.505 10 0 DDAEMN CN1CCN(C(=O)c2[nH]nc3ccccc32)C[C@H]1c1ncc[nH]1 ZINC000328616612 354546582 /nfs/dbraw/zinc/54/65/82/354546582.db2.gz BVXKOEUNDRPZSA-ZDUSSCGKSA-N 0 1 310.361 1.415 10 0 DDAEMN CC(C)(C)CS(=O)(=O)Nc1ccccc1S(N)(=O)=O ZINC000080193532 192010905 /nfs/dbraw/zinc/01/09/05/192010905.db2.gz RWGWEEDDPRIDIH-UHFFFAOYSA-N 0 1 306.409 1.122 10 0 DDAEMN CCOC(=O)c1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000180235393 199134123 /nfs/dbraw/zinc/13/41/23/199134123.db2.gz HRKBAUJOBAEKBP-DZGCQCFKSA-N 0 1 322.405 1.609 10 0 DDAEMN CCOCCN1CCN(C(=O)c2coc(CN)c2)C[C@H]1CC ZINC000188188741 200206764 /nfs/dbraw/zinc/20/67/64/200206764.db2.gz HDUQOZMKMHUMJL-CQSZACIVSA-N 0 1 309.410 1.311 10 0 DDAEMN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193396714 201044714 /nfs/dbraw/zinc/04/47/14/201044714.db2.gz VLYCZPNSQPSUIM-RDDDGLTNSA-N 0 1 308.325 1.380 10 0 DDAEMN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193447807 201053640 /nfs/dbraw/zinc/05/36/40/201053640.db2.gz YXSJKVOFEPFMAZ-RDDDGLTNSA-N 0 1 308.325 1.523 10 0 DDAEMN O=C1N(Cc2sccc2Br)C[C@H]2CNCCN12 ZINC000091751127 193102188 /nfs/dbraw/zinc/10/21/88/193102188.db2.gz CHGVYWTWQWJRIQ-MRVPVSSYSA-N 0 1 316.224 1.720 10 0 DDAEMN CCNCc1cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(C)o1 ZINC000092113913 193161723 /nfs/dbraw/zinc/16/17/23/193161723.db2.gz DRGJHFSSYBZDRX-PHIMTYICSA-N 0 1 300.424 1.974 10 0 DDAEMN CCCN1CCO[C@H](c2nc(C)c(Br)c(=O)[nH]2)C1 ZINC000093917376 193328012 /nfs/dbraw/zinc/32/80/12/193328012.db2.gz NQEXZSKABICMBM-VIFPVBQESA-N 0 1 316.199 1.624 10 0 DDAEMN CCCN1CCO[C@@H](c2ncc(Br)c(=O)[nH]2)C1 ZINC000093917405 193328476 /nfs/dbraw/zinc/32/84/76/193328476.db2.gz QUNUELYJCSKCHI-SECBINFHSA-N 0 1 302.172 1.316 10 0 DDAEMN CCCN[C@H](C)c1csc(N(C)CCS(C)(=O)=O)n1 ZINC000094301114 193358908 /nfs/dbraw/zinc/35/89/08/193358908.db2.gz RFZOTSKHZBFWAM-SNVBAGLBSA-N 0 1 305.469 1.685 10 0 DDAEMN CCC[C@H](C(=O)Nc1cc(Br)c[nH]c1=O)N(C)C ZINC000094056688 193341428 /nfs/dbraw/zinc/34/14/28/193341428.db2.gz VFKRCZZNCCFLOU-SNVBAGLBSA-N 0 1 316.199 1.806 10 0 DDAEMN C[N@H+]1CCC[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)C1 ZINC000094226215 193351337 /nfs/dbraw/zinc/35/13/37/193351337.db2.gz MZHWQBJZIKKJNL-KCJUWKMLSA-N 0 1 311.304 1.033 10 0 DDAEMN Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)Cc1nnc[nH]1 ZINC000094832771 193402553 /nfs/dbraw/zinc/40/25/53/193402553.db2.gz JKOCUBUWUXEQGP-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN C[C@@H](CNS(=O)(=O)c1cccc2cc(N)ccc21)N(C)C ZINC000094787202 193398656 /nfs/dbraw/zinc/39/86/56/193398656.db2.gz YJZQHRKINWSMFI-NSHDSACASA-N 0 1 307.419 1.650 10 0 DDAEMN C[C@H]1NC(=O)CC[C@H]1NCc1cc(O)ccc1Br ZINC000282462085 217014274 /nfs/dbraw/zinc/01/42/74/217014274.db2.gz UAOGRTSCJNORAS-PRHODGIISA-N 0 1 313.195 1.911 10 0 DDAEMN COc1cc(N)ccc1NC(=O)[C@H](C)Sc1nnc(C)[nH]1 ZINC000041632559 183212400 /nfs/dbraw/zinc/21/24/00/183212400.db2.gz SKASSVZRHUOVSW-ZETCQYMHSA-N 0 1 307.379 1.823 10 0 DDAEMN COc1cc(N)ccc1NC(=O)[C@H](C)Sc1nc(C)n[nH]1 ZINC000041632559 183212401 /nfs/dbraw/zinc/21/24/01/183212401.db2.gz SKASSVZRHUOVSW-ZETCQYMHSA-N 0 1 307.379 1.823 10 0 DDAEMN CC(C)n1cc([C@]2(O)CCN(CCOc3ccccc3)C2)nn1 ZINC000284538342 218068999 /nfs/dbraw/zinc/06/89/99/218068999.db2.gz DSHVSBRUOLBSNH-KRWDZBQOSA-N 0 1 316.405 1.831 10 0 DDAEMN COc1cc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)ccn1 ZINC000106428655 194212451 /nfs/dbraw/zinc/21/24/51/194212451.db2.gz OSJLKENIWMTJBE-MRXNPFEDSA-N 0 1 313.401 1.879 10 0 DDAEMN CCCOCCC(=O)N1CCN([C@@H](CC)C(N)=S)CC1 ZINC000109462069 194265390 /nfs/dbraw/zinc/26/53/90/194265390.db2.gz LFVACCUJEKSYLW-LBPRGKRZSA-N 0 1 301.456 1.012 10 0 DDAEMN Nc1ccc(S(=O)(=O)NCCN2CCCC2)c(Cl)c1 ZINC000054111695 183924261 /nfs/dbraw/zinc/92/42/61/183924261.db2.gz ZFCHCFBFSRSFJM-UHFFFAOYSA-N 0 1 303.815 1.296 10 0 DDAEMN CCN[C@](CSc1cnccn1)(C(N)=O)c1ccccc1 ZINC000110914686 194369365 /nfs/dbraw/zinc/36/93/65/194369365.db2.gz FHMIVXMBDHPFHP-HNNXBMFYSA-N 0 1 302.403 1.559 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000061642502 184180510 /nfs/dbraw/zinc/18/05/10/184180510.db2.gz RMZMRSFPONYBRC-SNVBAGLBSA-N 0 1 317.842 1.637 10 0 DDAEMN CCNc1ncccc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000061655958 184181435 /nfs/dbraw/zinc/18/14/35/184181435.db2.gz UTWKLRIVBYIMMS-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062037596 184203152 /nfs/dbraw/zinc/20/31/52/184203152.db2.gz HEOGKYFQFWQIDX-NXEZZACHSA-N 0 1 304.362 1.631 10 0 DDAEMN CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000062752817 184252433 /nfs/dbraw/zinc/25/24/33/184252433.db2.gz JHYRCHILGUUUDA-REWJHTLYSA-N 0 1 317.451 1.775 10 0 DDAEMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000062877021 184258041 /nfs/dbraw/zinc/25/80/41/184258041.db2.gz TURSFQDFNMIHBF-CQSZACIVSA-N 0 1 307.375 1.443 10 0 DDAEMN [NH3+][C@@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000063213870 184278933 /nfs/dbraw/zinc/27/89/33/184278933.db2.gz IXQWRDUAACVYIF-VXGBXAGGSA-N 0 1 304.362 1.903 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000062975735 184264214 /nfs/dbraw/zinc/26/42/14/184264214.db2.gz VXGZIJFUOHOQSZ-AWEZNQCLSA-N 0 1 309.435 1.436 10 0 DDAEMN CCOCCN1CCN(C(=O)Nc2ccn(C)n2)C[C@@H]1CC ZINC000120031849 195084224 /nfs/dbraw/zinc/08/42/24/195084224.db2.gz RPDUMNRGKSVHMI-ZDUSSCGKSA-N 0 1 309.414 1.385 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC000157733258 197211006 /nfs/dbraw/zinc/21/10/06/197211006.db2.gz XATDEHVDRRTRLG-AWEZNQCLSA-N 0 1 321.425 1.425 10 0 DDAEMN CCC[C@H](C(=O)Nc1ccc(C(=O)N(C)OC)cc1)N(C)C ZINC000155507277 197061354 /nfs/dbraw/zinc/06/13/54/197061354.db2.gz LBWNWTIPUVECNB-CQSZACIVSA-N 0 1 307.394 1.989 10 0 DDAEMN COCCN1CCN(Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000120820172 195244070 /nfs/dbraw/zinc/24/40/70/195244070.db2.gz LHLKOFMCDLKSSW-AWEZNQCLSA-N 0 1 308.422 1.856 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(CCOC)[C@H](C)C2)o1 ZINC000120848613 195250313 /nfs/dbraw/zinc/25/03/13/195250313.db2.gz ZIHHUTSXQWSXIQ-CYBMUJFWSA-N 0 1 310.394 1.609 10 0 DDAEMN Cn1cc(CN2CC[C@H]3[C@H]2CCN3c2ncc(F)cn2)cn1 ZINC000503719148 257208671 /nfs/dbraw/zinc/20/86/71/257208671.db2.gz ZLUWAPWLZMYIAH-KGLIPLIRSA-N 0 1 302.357 1.202 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000262332236 285382530 /nfs/dbraw/zinc/38/25/30/285382530.db2.gz RTMNTCARMKQARJ-LURJTMIESA-N 0 1 308.222 1.303 10 0 DDAEMN COc1ccc(CN(C)c2nc3[nH]ncc3c(=O)[nH]2)cc1F ZINC000302308819 533546943 /nfs/dbraw/zinc/54/69/43/533546943.db2.gz OMMJVPCYHPMIJM-UHFFFAOYSA-N 0 1 303.297 1.843 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCCC3=CCCC3)CCO2)n[nH]1 ZINC000152087227 407560189 /nfs/dbraw/zinc/56/01/89/407560189.db2.gz NGUOBINTAFLQET-CYBMUJFWSA-N 0 1 305.382 1.696 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000073706102 406892840 /nfs/dbraw/zinc/89/28/40/406892840.db2.gz VLVZUURSOZUCMG-NWDGAFQWSA-N 0 1 310.423 1.765 10 0 DDAEMN Cc1ccccc1[C@H](C)NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000077656361 407000598 /nfs/dbraw/zinc/00/05/98/407000598.db2.gz UKXDTXZQBCVVSW-LBPRGKRZSA-N 0 1 324.388 1.975 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000083551074 407082588 /nfs/dbraw/zinc/08/25/88/407082588.db2.gz MUYVOSSMFMSYPQ-WDEREUQCSA-N 0 1 315.826 1.592 10 0 DDAEMN COc1nccnc1CNC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095076487 407206036 /nfs/dbraw/zinc/20/60/36/407206036.db2.gz YXMSNFQKWCNMGJ-GFCCVEGCSA-N 0 1 322.409 1.832 10 0 DDAEMN Cc1ccc(OC[C@H](O)C[N@@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000105823324 407355789 /nfs/dbraw/zinc/35/57/89/407355789.db2.gz YBQWUDMGBNKZDK-BRWVUGGUSA-N 0 1 322.449 1.122 10 0 DDAEMN CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000105817947 407355966 /nfs/dbraw/zinc/35/59/66/407355966.db2.gz HURSLXVJAPQXOA-MRXNPFEDSA-N 0 1 309.454 1.040 10 0 DDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000105817947 407355967 /nfs/dbraw/zinc/35/59/67/407355967.db2.gz HURSLXVJAPQXOA-MRXNPFEDSA-N 0 1 309.454 1.040 10 0 DDAEMN COc1ccccc1CN(CCO)C[C@H](O)COC(C)(C)C ZINC000103228551 407334007 /nfs/dbraw/zinc/33/40/07/407334007.db2.gz XTABZFYLFDMKOQ-HNNXBMFYSA-N 0 1 311.422 1.666 10 0 DDAEMN CCn1c(C)nnc1CN(C)CC(C)(C)CN1CCOCC1 ZINC000123643812 407335282 /nfs/dbraw/zinc/33/52/82/407335282.db2.gz JROVLIPYMHRQFX-UHFFFAOYSA-N 0 1 309.458 1.397 10 0 DDAEMN Cn1cc([C@H]2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C2)cn1 ZINC000185746140 407491887 /nfs/dbraw/zinc/49/18/87/407491887.db2.gz LGXMEVLMVHAYJB-AWEZNQCLSA-N 0 1 322.372 1.835 10 0 DDAEMN C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152390126 407629631 /nfs/dbraw/zinc/62/96/31/407629631.db2.gz AZRNIWXOZIYRCH-HOCLYGCPSA-N 0 1 303.406 1.936 10 0 DDAEMN CCOC(=O)C[C@H](C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000129923792 407636806 /nfs/dbraw/zinc/63/68/06/407636806.db2.gz KVMJREUPCGBMEC-HOCLYGCPSA-N 0 1 320.433 1.865 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000262161894 407755293 /nfs/dbraw/zinc/75/52/93/407755293.db2.gz AAJOUHVXKAFJOC-ZDUSSCGKSA-N 0 1 313.357 1.596 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000262223831 407768628 /nfs/dbraw/zinc/76/86/28/407768628.db2.gz PKXKEAWWHRMVQO-JTQLQIEISA-N 0 1 310.404 1.602 10 0 DDAEMN CCOCCN1CCN(c2ccc(C(=O)OC)nn2)C[C@@H]1CC ZINC000116871388 407787370 /nfs/dbraw/zinc/78/73/70/407787370.db2.gz BEZBBMKWKBOGDQ-ZDUSSCGKSA-N 0 1 322.409 1.200 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)CC3CCC3)CC2)C1 ZINC000173093335 407863117 /nfs/dbraw/zinc/86/31/17/407863117.db2.gz CLULOYHZJKPGCY-KRWDZBQOSA-N 0 1 323.481 1.430 10 0 DDAEMN CCOc1cc(C)nc(N2CCN(CCCCOC)CC2)n1 ZINC000117880351 407866398 /nfs/dbraw/zinc/86/63/98/407866398.db2.gz FYCUIJIKHGFKBH-UHFFFAOYSA-N 0 1 308.426 1.732 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000262585197 407874057 /nfs/dbraw/zinc/87/40/57/407874057.db2.gz VHVBMQZFVNGBSO-CHWSQXEVSA-N 0 1 308.378 1.465 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CCO2)n[nH]1 ZINC000173662397 407893349 /nfs/dbraw/zinc/89/33/49/407893349.db2.gz LEWVVSVWEAQVEQ-INIZCTEOSA-N 0 1 324.388 1.872 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)cc2F)C1 ZINC000262719611 407905976 /nfs/dbraw/zinc/90/59/76/407905976.db2.gz PCARKYVBVLMAPX-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cccc(OC)c2)C1 ZINC000262849084 407955563 /nfs/dbraw/zinc/95/55/63/407955563.db2.gz WJKFDLYEJIUISU-UHFFFAOYSA-N 0 1 320.389 1.291 10 0 DDAEMN Cc1c(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)cnn1C ZINC000118947191 407965297 /nfs/dbraw/zinc/96/52/97/407965297.db2.gz NVGAKFBDQMCTES-MRXNPFEDSA-N 0 1 300.406 1.518 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nc(CCC(C)C)no2)CC1 ZINC000174071233 407914722 /nfs/dbraw/zinc/91/47/22/407914722.db2.gz NPRBSIQJLJTQNA-CQSZACIVSA-N 0 1 310.442 1.547 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(O)CCCCC1 ZINC000174738581 407986306 /nfs/dbraw/zinc/98/63/06/407986306.db2.gz VQXMNGKHHUYIEM-INIZCTEOSA-N 0 1 304.434 1.971 10 0 DDAEMN COC(=O)CC(C)(C)CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181384036 407990214 /nfs/dbraw/zinc/99/02/14/407990214.db2.gz XTGGRRJIVFXALX-NSHDSACASA-N 0 1 308.382 1.838 10 0 DDAEMN CCc1noc([C@H](C)N2CCN(CC[C@H]3CCCO3)CC2)n1 ZINC000189189666 408002785 /nfs/dbraw/zinc/00/27/85/408002785.db2.gz LJLZSXKPKFXNLT-UONOGXRCSA-N 0 1 308.426 1.880 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000245530710 408010000 /nfs/dbraw/zinc/01/00/00/408010000.db2.gz GRSMVBAZYYKRKG-HOCLYGCPSA-N 0 1 303.406 1.403 10 0 DDAEMN CCOCC[N@H+]1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1C ZINC000245718890 408053094 /nfs/dbraw/zinc/05/30/94/408053094.db2.gz HOAFEXSLBCONPB-CQSZACIVSA-N 0 1 322.453 1.259 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1C ZINC000245718890 408053102 /nfs/dbraw/zinc/05/31/02/408053102.db2.gz HOAFEXSLBCONPB-CQSZACIVSA-N 0 1 322.453 1.259 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000263249457 408076619 /nfs/dbraw/zinc/07/66/19/408076619.db2.gz OEFFZAYETOTPED-KGLIPLIRSA-N 0 1 308.378 1.159 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000245914113 408098795 /nfs/dbraw/zinc/09/87/95/408098795.db2.gz QJOJAPSXZIFSCK-UONOGXRCSA-N 0 1 319.453 1.707 10 0 DDAEMN COc1ccc([C@H](C)C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000263443102 408141316 /nfs/dbraw/zinc/14/13/16/408141316.db2.gz XCGLAOKWGJMXRA-OLZOCXBDSA-N 0 1 322.405 1.710 10 0 DDAEMN CC[N@H+](CC(=O)[O-])C1CC(NCCC(C)(C)C(=O)OC)C1 ZINC000263526760 408164347 /nfs/dbraw/zinc/16/43/47/408164347.db2.gz UJZXHXTUBOORDL-UHFFFAOYSA-N 0 1 300.399 1.103 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCCC(C)(C)C(=O)OC)C1 ZINC000263526760 408164350 /nfs/dbraw/zinc/16/43/50/408164350.db2.gz UJZXHXTUBOORDL-UHFFFAOYSA-N 0 1 300.399 1.103 10 0 DDAEMN C[C@@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246359007 408230898 /nfs/dbraw/zinc/23/08/98/408230898.db2.gz GORSGCIKCRMCLP-HLLBOEOZSA-N 0 1 323.481 1.476 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246495755 408273458 /nfs/dbraw/zinc/27/34/58/408273458.db2.gz PPBDNCDXCHCOTB-YCPHGPKFSA-N 0 1 311.470 1.332 10 0 DDAEMN C[C@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H]1N1CCOCC1 ZINC000246515777 408280855 /nfs/dbraw/zinc/28/08/55/408280855.db2.gz QYPJPJUWVLXPSP-DOTOQJQBSA-N 0 1 323.481 1.430 10 0 DDAEMN Cc1cc(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)[nH]n1 ZINC000151342324 408299089 /nfs/dbraw/zinc/29/90/89/408299089.db2.gz ITVPOVBHFGGRLQ-LLVKDONJSA-N 0 1 301.346 1.909 10 0 DDAEMN CCOCCN1CCN([C@@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000246611029 408304458 /nfs/dbraw/zinc/30/44/58/408304458.db2.gz AMHBASHYMNXUPN-NVXWUHKLSA-N 0 1 320.433 1.943 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246831426 408350562 /nfs/dbraw/zinc/35/05/62/408350562.db2.gz CXNAICWGHSQHDW-GXFFZTMASA-N 0 1 309.414 1.180 10 0 DDAEMN COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173516501 162345613 /nfs/dbraw/zinc/34/56/13/162345613.db2.gz APBKZAWNAORVNO-CYBMUJFWSA-N 0 1 320.324 1.475 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CSc3ccncc3)CCO2)n[nH]1 ZINC000173537805 162347582 /nfs/dbraw/zinc/34/75/82/162347582.db2.gz XPIYQARMAOZGMR-GFCCVEGCSA-N 0 1 319.390 1.200 10 0 DDAEMN CC[C@H]1CN(C(=O)CCC2CCOCC2)CCN1CCOC ZINC000173550821 162349674 /nfs/dbraw/zinc/34/96/74/162349674.db2.gz FKMAOEOZCMEQFX-INIZCTEOSA-N 0 1 312.454 1.762 10 0 DDAEMN COC(=O)c1occc1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173655131 162353040 /nfs/dbraw/zinc/35/30/40/162353040.db2.gz RKVGWRFCVLPPNQ-NSHDSACASA-N 0 1 306.322 1.066 10 0 DDAEMN Cc1cc(N2CCC[C@H](NCc3cccnc3C)C2=O)n(C)n1 ZINC000173855148 162369971 /nfs/dbraw/zinc/36/99/71/162369971.db2.gz KAJNXKBKGFSGJG-HNNXBMFYSA-N 0 1 313.405 1.717 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191346406 408409910 /nfs/dbraw/zinc/40/99/10/408409910.db2.gz MISXCKFCLJPZNS-KRWDZBQOSA-N 0 1 320.481 1.815 10 0 DDAEMN COCCN1CCN(C[C@@H](O)COc2ccccc2)C[C@@H]1C ZINC000247169660 408419688 /nfs/dbraw/zinc/41/96/88/408419688.db2.gz MWIDTHYIFGSDAV-JKSUJKDBSA-N 0 1 308.422 1.079 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)NCCC(C)C)CCN1CCOC ZINC000247175678 408421305 /nfs/dbraw/zinc/42/13/05/408421305.db2.gz NEMIDDYSMVUDKM-HZPDHXFCSA-N 0 1 313.486 1.580 10 0 DDAEMN CCOC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247515503 408486067 /nfs/dbraw/zinc/48/60/67/408486067.db2.gz KFCYCYHLVUJCLV-UXLLHSPISA-N 0 1 320.433 1.678 10 0 DDAEMN C[C@@H]1CN(CC(=O)NCC2CCCCC2)C[C@@H]1N1CCOCC1 ZINC000177232103 408556580 /nfs/dbraw/zinc/55/65/80/408556580.db2.gz CAOOLFXUBPPCDH-WBVHZDCISA-N 0 1 323.481 1.335 10 0 DDAEMN C[C@@H]1CN(CC(=O)NC2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000177240332 408560117 /nfs/dbraw/zinc/56/01/17/408560117.db2.gz HBTYWFZWXROFLM-MNAZLIDISA-N 0 1 323.481 1.334 10 0 DDAEMN COCc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CN2CCCC2=O)o1 ZINC000248610232 408598369 /nfs/dbraw/zinc/59/83/69/408598369.db2.gz HOXCDEJGTBPZFU-HIFRSBDPSA-N 0 1 322.405 1.546 10 0 DDAEMN COCc1ccc([C@@H]2CCCN2C[C@@H](O)CN2CCCC2=O)o1 ZINC000248610232 408598374 /nfs/dbraw/zinc/59/83/74/408598374.db2.gz HOXCDEJGTBPZFU-HIFRSBDPSA-N 0 1 322.405 1.546 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)C3(CCOC)CC3)CCO2)n[nH]1 ZINC000162120416 408672040 /nfs/dbraw/zinc/67/20/40/408672040.db2.gz YZCRCVWEACZWLZ-NSHDSACASA-N 0 1 308.382 1.084 10 0 DDAEMN Cc1cc(N2CC[C@@H](N3CCN4CCCC[C@@H]4C3)C2=O)n(C)n1 ZINC000177778705 408711048 /nfs/dbraw/zinc/71/10/48/408711048.db2.gz YZESRFQELPQBNJ-HUUCEWRRSA-N 0 1 317.437 1.004 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000177912074 408736702 /nfs/dbraw/zinc/73/67/02/408736702.db2.gz HDTLUBFWGFIGEI-LBPRGKRZSA-N 0 1 319.409 1.639 10 0 DDAEMN CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1 ZINC000251579375 408782501 /nfs/dbraw/zinc/78/25/01/408782501.db2.gz CIEWURNBXKFPFU-IAQYHMDHSA-N 0 1 310.419 1.460 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000194152431 408767645 /nfs/dbraw/zinc/76/76/45/408767645.db2.gz AGUBMNKFYPOZNV-GFCCVEGCSA-N 0 1 323.368 1.373 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000194159801 408768224 /nfs/dbraw/zinc/76/82/24/408768224.db2.gz PQVUJSRMAUKZQN-AWEZNQCLSA-N 0 1 317.389 1.161 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccncc3C)CCO2)n[nH]1 ZINC000188282193 163046835 /nfs/dbraw/zinc/04/68/35/163046835.db2.gz MSCCWAVBQUQRGE-CYBMUJFWSA-N 0 1 316.365 1.100 10 0 DDAEMN NC(=O)[C@@]1(O)CCCN(CCOc2ccc(F)cc2Cl)C1 ZINC000286336988 408966662 /nfs/dbraw/zinc/96/66/62/408966662.db2.gz WTNRGNWFEWVBOA-CQSZACIVSA-N 0 1 316.760 1.170 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000262303706 163802557 /nfs/dbraw/zinc/80/25/57/163802557.db2.gz OEUVICXTWOSCFY-RDJZCZTQSA-N 0 1 314.385 1.875 10 0 DDAEMN O=C(c1occc1Br)N1CC[C@H]2OCCN[C@H]2C1 ZINC000573848894 422025340 /nfs/dbraw/zinc/02/53/40/422025340.db2.gz KNIIVYYNHPNDDN-VHSXEESVSA-N 0 1 315.167 1.245 10 0 DDAEMN Cc1cc(C(F)(F)F)nc(N2CC[C@](O)(c3c[nH]nn3)C2)n1 ZINC000583616526 422199370 /nfs/dbraw/zinc/19/93/70/422199370.db2.gz GNALTFUGHBYDSV-LLVKDONJSA-N 0 1 314.271 1.020 10 0 DDAEMN Cc1ccccc1OCCN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617965 422200828 /nfs/dbraw/zinc/20/08/28/422200828.db2.gz OCXDZODENBZXFA-MRXNPFEDSA-N 0 1 302.378 1.476 10 0 DDAEMN Cc1noc(C)c1CN[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583620158 422205617 /nfs/dbraw/zinc/20/56/17/422205617.db2.gz JHLFQYHEJCDJFU-ZBFHGGJFSA-N 0 1 300.362 1.748 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC2)[N@@H+]1Cc1ccccc1 ZINC000630649061 422239754 /nfs/dbraw/zinc/23/97/54/422239754.db2.gz HUUSSMFHNYTMIP-HUUCEWRRSA-N 0 1 302.374 1.727 10 0 DDAEMN O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC2)[N@H+]1Cc1ccccc1 ZINC000630649061 422239757 /nfs/dbraw/zinc/23/97/57/422239757.db2.gz HUUSSMFHNYTMIP-HUUCEWRRSA-N 0 1 302.374 1.727 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630673845 422261693 /nfs/dbraw/zinc/26/16/93/422261693.db2.gz WUEYGYACCIBEON-REBRKWNGSA-N 0 1 302.374 1.629 10 0 DDAEMN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630673845 422261697 /nfs/dbraw/zinc/26/16/97/422261697.db2.gz WUEYGYACCIBEON-REBRKWNGSA-N 0 1 302.374 1.629 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185585708 263393180 /nfs/dbraw/zinc/39/31/80/263393180.db2.gz DNJAXGPBVNYIRN-GFCCVEGCSA-N 0 1 319.380 1.315 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185585681 263393426 /nfs/dbraw/zinc/39/34/26/263393426.db2.gz DNJAXGPBVNYIRN-LBPRGKRZSA-N 0 1 319.380 1.315 10 0 DDAEMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(F)cc1F ZINC000105932563 274249447 /nfs/dbraw/zinc/24/94/47/274249447.db2.gz GDIDPAASQTVHBW-ZYHUDNBSSA-N 0 1 313.348 1.212 10 0 DDAEMN CCOC(=O)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250121494 276282971 /nfs/dbraw/zinc/28/29/71/276282971.db2.gz HGVRJEMWHPSYOU-CABCVRRESA-N 0 1 323.437 1.552 10 0 DDAEMN Cc1nc([C@@H]2CN(c3nc(C)nc4c3CCCC4)CCO2)n[nH]1 ZINC000302102462 293125719 /nfs/dbraw/zinc/12/57/19/293125719.db2.gz QLQRVDFVBZWUHG-AWEZNQCLSA-N 0 1 314.393 1.668 10 0 DDAEMN Cc1cc[nH+]c(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC000095089784 302271805 /nfs/dbraw/zinc/27/18/05/302271805.db2.gz JRUQCFJTECYCTH-GFCCVEGCSA-N 0 1 321.377 1.900 10 0 DDAEMN Cc1ccc(-c2cnnc(O)c2O)c(C)c1CS(C)(=O)=O ZINC000584630565 337376715 /nfs/dbraw/zinc/37/67/15/337376715.db2.gz VTGMMBLWMXWDCK-UHFFFAOYSA-N 0 1 308.359 1.716 10 0 DDAEMN O=C([O-])[C@@H]1CSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000227380515 484161518 /nfs/dbraw/zinc/16/15/18/484161518.db2.gz XTVIJDDIJCTYTK-KGLIPLIRSA-N 0 1 311.403 1.066 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000262995162 520380029 /nfs/dbraw/zinc/38/00/29/520380029.db2.gz WDJYPTARJNQIEI-UHFFFAOYSA-N 0 1 324.446 1.997 10 0 DDAEMN c1nnc([C@@H]2COCCN2Cc2nc3cccnc3s2)[nH]1 ZINC000328912065 534534879 /nfs/dbraw/zinc/53/48/79/534534879.db2.gz OSHWMUHSDMRGFY-JTQLQIEISA-N 0 1 302.363 1.383 10 0 DDAEMN CO[C@@H]1COC[C@H]1N1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000333509464 536756980 /nfs/dbraw/zinc/75/69/80/536756980.db2.gz DWJGQVIUTYEALZ-HUUCEWRRSA-N 0 1 306.410 1.099 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCO[C@H]2CCCC[C@H]21 ZINC000109954261 696638984 /nfs/dbraw/zinc/63/89/84/696638984.db2.gz XTWVQUQGJXVXKC-KGLIPLIRSA-N 0 1 313.357 1.707 10 0 DDAEMN C[C@H]1CC[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)O1 ZINC000123791373 696735234 /nfs/dbraw/zinc/73/52/34/696735234.db2.gz CXBCPQLATYPPAW-XJKSGUPXSA-N 0 1 303.406 1.944 10 0 DDAEMN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000171189196 697355489 /nfs/dbraw/zinc/35/54/89/697355489.db2.gz YTCKBYXAUKEMAO-GJZGRUSLSA-N 0 1 317.389 1.186 10 0 DDAEMN CCc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000173532438 697379581 /nfs/dbraw/zinc/37/95/81/697379581.db2.gz DBMMXGYPLYILDS-LLVKDONJSA-N 0 1 306.391 1.951 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000174083807 697384110 /nfs/dbraw/zinc/38/41/10/697384110.db2.gz BPCKCKMNVZXZDW-HOTGVXAUSA-N 0 1 312.841 1.762 10 0 DDAEMN CNC(=O)[C@H](NCc1cc(=O)oc2cc(C)ccc12)C(C)C ZINC000183659212 697491446 /nfs/dbraw/zinc/49/14/46/697491446.db2.gz QDWULGIBOVVGIB-MRXNPFEDSA-N 0 1 302.374 1.962 10 0 DDAEMN CCOC1CC(CC(=O)N2CCN(CCOC)[C@H](CC)C2)C1 ZINC000191739199 697613392 /nfs/dbraw/zinc/61/33/92/697613392.db2.gz XMFTUBDDEORAKG-HWOWSKLDSA-N 0 1 312.454 1.761 10 0 DDAEMN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](N)COC)cs1 ZINC000262307036 698463856 /nfs/dbraw/zinc/46/38/56/698463856.db2.gz OOCVTJFHUDQJIU-ONGXEEELSA-N 0 1 301.412 1.173 10 0 DDAEMN Cc1ccc(NC(=O)CN2CCC([N@@H+](C)CC(=O)[O-])CC2)cc1 ZINC000262979970 698486174 /nfs/dbraw/zinc/48/61/74/698486174.db2.gz TZHDOGRUBPRHHY-UHFFFAOYSA-N 0 1 319.405 1.414 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C2CC(C)(C)C2)C1 ZINC000263472746 698508980 /nfs/dbraw/zinc/50/89/80/698508980.db2.gz LTBIRORGDVLPRJ-UHFFFAOYSA-N 0 1 311.426 1.754 10 0 DDAEMN CCn1nc(C)c(CNC2CC([N@@H+](CC)CC(=O)[O-])C2)c1C ZINC000263518772 698511456 /nfs/dbraw/zinc/51/14/56/698511456.db2.gz PWQDZZILLINQOU-UHFFFAOYSA-N 0 1 308.426 1.547 10 0 DDAEMN O=C(CC(F)(F)C(F)(F)F)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000713191930 699265251 /nfs/dbraw/zinc/26/52/51/699265251.db2.gz CFPUWYKCMKSDLY-SFYZADRCSA-N 0 1 302.243 1.163 10 0 DDAEMN CCc1noc(C)c1CN1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886091704 708696399 /nfs/dbraw/zinc/69/63/99/708696399.db2.gz MNMDOFIJEJJQGL-INIZCTEOSA-N 0 1 320.393 1.806 10 0 DDAEMN Cc1nn(-c2ccccc2)cc1CN[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888077109 709209728 /nfs/dbraw/zinc/20/97/28/709209728.db2.gz KGTNKOAMFWOBJF-RCCFBDPRSA-N 0 1 323.400 1.841 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000900870238 709800099 /nfs/dbraw/zinc/80/00/99/709800099.db2.gz KAVIVSAAXAPDRM-UNEWFSDZSA-N 0 1 306.406 1.163 10 0 DDAEMN CO[C@@H]1CN(C(=O)C(C)(C)c2nccs2)C[C@H]1c1c[nH]nn1 ZINC000911356653 710761946 /nfs/dbraw/zinc/76/19/46/710761946.db2.gz XXXVITXXWTXMLJ-GXSJLCMTSA-N 0 1 321.406 1.180 10 0 DDAEMN CO[C@@H]1CN(C(=O)C(C)(C)c2nccs2)C[C@H]1c1cnn[nH]1 ZINC000911356653 710761947 /nfs/dbraw/zinc/76/19/47/710761947.db2.gz XXXVITXXWTXMLJ-GXSJLCMTSA-N 0 1 321.406 1.180 10 0 DDAEMN CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1nccc(=O)[n-]1)OCCO2 ZINC000081774305 192322823 /nfs/dbraw/zinc/32/28/23/192322823.db2.gz WZNREXPORFONMU-MNOVXSKESA-N 0 1 311.407 1.548 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CCOC)c1cccc(OC)c1 ZINC000081944083 192344430 /nfs/dbraw/zinc/34/44/30/192344430.db2.gz BYEIJRVZOYDDJJ-CQSZACIVSA-N 0 1 301.408 1.407 10 0 DDAEMN COCCS(=O)(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000081944816 192345139 /nfs/dbraw/zinc/34/51/39/192345139.db2.gz PUTNLOHBIZEUSD-NSHDSACASA-N 0 1 311.325 1.766 10 0 DDAEMN CC[C@@H](C)N(CC)C(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O ZINC000087895378 185235513 /nfs/dbraw/zinc/23/55/13/185235513.db2.gz LFAOPMXWUKJFAB-SECBINFHSA-N 0 1 316.427 1.441 10 0 DDAEMN CCCCN(C(=O)c1n[nH]c(CC)c1S(N)(=O)=O)C1CC1 ZINC000087898579 185235850 /nfs/dbraw/zinc/23/58/50/185235850.db2.gz QWUXVBGRMOAVAG-UHFFFAOYSA-N 0 1 314.411 1.024 10 0 DDAEMN Cn1cnnc1Cn1c(N)nc2ccc(Br)cc21 ZINC000087837415 185233041 /nfs/dbraw/zinc/23/30/41/185233041.db2.gz BOTGWNHUSJQHLR-UHFFFAOYSA-N 0 1 307.155 1.558 10 0 DDAEMN C[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(C(=O)[O-])cc3s2)C1 ZINC000087848439 185233318 /nfs/dbraw/zinc/23/33/18/185233318.db2.gz LENQILYPIFGNSC-SECBINFHSA-N 0 1 305.359 1.885 10 0 DDAEMN NNc1ncc(Br)c(Oc2ccc(CO)cc2)n1 ZINC000087885503 185234302 /nfs/dbraw/zinc/23/43/02/185234302.db2.gz BKHYIAZHVINGDO-UHFFFAOYSA-N 0 1 311.139 1.809 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C[C@@H]3CCCCNC3=O)CCO2)n[nH]1 ZINC000328876443 231375250 /nfs/dbraw/zinc/37/52/50/231375250.db2.gz SODKEVJFFFPCPW-NWDGAFQWSA-N 0 1 321.381 1.160 10 0 DDAEMN COCCCS(=O)(=O)[C@@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000081985711 192350002 /nfs/dbraw/zinc/35/00/02/192350002.db2.gz BJUAPIIYFAVTFW-CABCVRRESA-N 0 1 313.419 1.461 10 0 DDAEMN CN[C@@H]1c2ccccc2CC[C@@H]1S(=O)(=O)C1CCOCC1 ZINC000081989683 192350311 /nfs/dbraw/zinc/35/03/11/192350311.db2.gz YSQFLPSWARGAAT-JKSUJKDBSA-N 0 1 309.431 1.856 10 0 DDAEMN COc1cc([C@@H]2NC[C@@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341146 185292047 /nfs/dbraw/zinc/29/20/47/185292047.db2.gz QAGMVVVKBSOYRJ-FUXBKTLASA-N 0 1 316.810 1.936 10 0 DDAEMN CN(Cc1ccccc1Cl)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780413 185340214 /nfs/dbraw/zinc/34/02/14/185340214.db2.gz GQKOMODANVLAKV-CYBMUJFWSA-N 0 1 304.781 1.736 10 0 DDAEMN O=C([C@H]1Cc2nc[nH]c2CN1)N1CCC(C(F)(F)F)CC1 ZINC000092783656 185340965 /nfs/dbraw/zinc/34/09/65/185340965.db2.gz IMBRMGAMLSMWIE-SNVBAGLBSA-N 0 1 302.300 1.225 10 0 DDAEMN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cnc(NN)nc1 ZINC000049527072 190677777 /nfs/dbraw/zinc/67/77/77/190677777.db2.gz PZQLDBSCGWWJOW-SNVBAGLBSA-N 0 1 307.379 1.110 10 0 DDAEMN O=C([O-])c1cccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(F)(F)F)c1 ZINC000616570553 539559917 /nfs/dbraw/zinc/55/99/17/539559917.db2.gz NBCLXRSOXNCFRJ-WDEREUQCSA-N 0 1 316.279 1.509 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000148110710 186042993 /nfs/dbraw/zinc/04/29/93/186042993.db2.gz CMZBOPYTEAHKAO-LDYMZIIASA-N 0 1 301.184 1.600 10 0 DDAEMN Cc1cc2nc(C)cc(N3CCN(C[C@H]4CCCO4)CC3)n2n1 ZINC000072432020 191164558 /nfs/dbraw/zinc/16/45/58/191164558.db2.gz JVRAAHYGJJUFDO-OAHLLOKOSA-N 0 1 315.421 1.647 10 0 DDAEMN C[C@H](C(=O)NCc1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000172802001 198151547 /nfs/dbraw/zinc/15/15/47/198151547.db2.gz QALLLYIDTFWSQW-ZIAGYGMSSA-N 0 1 307.463 1.923 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCc2ccccc2)C[C@H]1C ZINC000174298196 198316756 /nfs/dbraw/zinc/31/67/56/198316756.db2.gz HUFQTUITMMQNBL-HZPDHXFCSA-N 0 1 304.434 1.923 10 0 DDAEMN CN(C)C(=O)[C@H]1CCCN1C[C@H](O)COc1ccc(F)cc1 ZINC000073123903 191281483 /nfs/dbraw/zinc/28/14/83/191281483.db2.gz JKVHRXRWXCIVOD-DZGCQCFKSA-N 0 1 310.369 1.118 10 0 DDAEMN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n[nH]1 ZINC000097941188 353920402 /nfs/dbraw/zinc/92/04/02/353920402.db2.gz AFWJAKNJZSHZBU-JTQLQIEISA-N 0 1 311.367 1.244 10 0 DDAEMN CCOCCN1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)C[C@H]1C ZINC000248709925 354370536 /nfs/dbraw/zinc/37/05/36/354370536.db2.gz BYONLTAUQLUXTD-ZIAGYGMSSA-N 0 1 308.426 1.594 10 0 DDAEMN CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCOC1=O ZINC000328646878 354558270 /nfs/dbraw/zinc/55/82/70/354558270.db2.gz SVMRNIJCQJSNTF-NXEZZACHSA-N 0 1 317.311 1.712 10 0 DDAEMN Cc1csc(C(=O)N2CC[C@@H]3OCCN[C@@H]3C2)c1Cl ZINC000403980274 354671589 /nfs/dbraw/zinc/67/15/89/354671589.db2.gz ATHMFCZZACTJAY-ZJUUUORDSA-N 0 1 300.811 1.913 10 0 DDAEMN Cc1csc(C(=O)N2CC[C@@H]3OCCN[C@H]3C2)c1Cl ZINC000403980266 354671679 /nfs/dbraw/zinc/67/16/79/354671679.db2.gz ATHMFCZZACTJAY-UWVGGRQHSA-N 0 1 300.811 1.913 10 0 DDAEMN C[C@@H]1CCCC[N@H+]1CCCn1c(N)nnc1SCC(=O)[O-] ZINC000080845289 192195699 /nfs/dbraw/zinc/19/56/99/192195699.db2.gz ZMENSLAMWCOZIP-SNVBAGLBSA-N 0 1 313.427 1.302 10 0 DDAEMN O=c1[nH]cc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1Cl ZINC000081677176 192312331 /nfs/dbraw/zinc/31/23/31/192312331.db2.gz CYBFJBJZSRKTRH-UHFFFAOYSA-N 0 1 324.749 1.705 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000193245552 201011629 /nfs/dbraw/zinc/01/16/29/201011629.db2.gz PUPPXGPAOVSXFK-GOSISDBHSA-N 0 1 306.450 1.982 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@H]2CCC=CO2)CC1 ZINC000193906105 201142085 /nfs/dbraw/zinc/14/20/85/201142085.db2.gz GJMURUJKZOHJGG-MRXNPFEDSA-N 0 1 304.438 1.847 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000091219105 193021511 /nfs/dbraw/zinc/02/15/11/193021511.db2.gz VCXYTYKOMWSVEZ-IMTBSYHQSA-N 0 1 308.288 1.964 10 0 DDAEMN CN1CCO[C@H](c2nc(C3CC3)c(Br)c(=O)[nH]2)C1 ZINC000091687452 193091924 /nfs/dbraw/zinc/09/19/24/193091924.db2.gz YZGZMDMQFYBUIH-QMMMGPOBSA-N 0 1 314.183 1.413 10 0 DDAEMN O=C1N(Cc2ccc(Br)cc2)C[C@@H]2CNCCN12 ZINC000091751046 193102205 /nfs/dbraw/zinc/10/22/05/193102205.db2.gz XUNKFNWFPUKQRZ-LBPRGKRZSA-N 0 1 310.195 1.659 10 0 DDAEMN CCC[C@@H](C(N)=S)N1CCN(C(=O)N(CC)CC)CC1 ZINC000091961876 193132216 /nfs/dbraw/zinc/13/22/16/193132216.db2.gz FVMAOLYXPXIUPY-LBPRGKRZSA-N 0 1 300.472 1.521 10 0 DDAEMN C[C@H](C(=O)Nc1ccccc1C(N)=S)N(C)CC(C)(C)O ZINC000092966978 193189830 /nfs/dbraw/zinc/18/98/30/193189830.db2.gz FCKZTVZSOBNRHZ-SNVBAGLBSA-N 0 1 309.435 1.351 10 0 DDAEMN CC(C)(C)NCc1cn([C@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645178 193389757 /nfs/dbraw/zinc/38/97/57/193389757.db2.gz WIUIUHPNSZQJCN-QWHCGFSZSA-N 0 1 314.455 1.695 10 0 DDAEMN CS(=O)(=O)[C@H]1CCC[C@@H](N(CCO)Cc2ccccc2)C1 ZINC000094643698 193389879 /nfs/dbraw/zinc/38/98/79/193389879.db2.gz FQRKTIHUAWXWTE-CVEARBPZSA-N 0 1 311.447 1.837 10 0 DDAEMN CCN[C@H](c1cc(Cl)ccc1OC)[C@@H]1CN2CCN1CC2 ZINC000094510025 193376071 /nfs/dbraw/zinc/37/60/71/193376071.db2.gz VYGRQQGSWMZQCQ-GOEBONIOSA-N 0 1 309.841 1.999 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000094779926 193397261 /nfs/dbraw/zinc/39/72/61/193397261.db2.gz AKQLPMDTOOBXHO-LLVKDONJSA-N 0 1 315.414 1.431 10 0 DDAEMN CCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000019232616 182110266 /nfs/dbraw/zinc/11/02/66/182110266.db2.gz VBHSWRRMILGBBE-LLVKDONJSA-N 0 1 310.829 1.887 10 0 DDAEMN C[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1cccc(O)c1 ZINC000021019783 182261539 /nfs/dbraw/zinc/26/15/39/182261539.db2.gz MZTDIASXNOOGIW-NSHDSACASA-N 0 1 306.387 1.890 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2nnc(C)s2)CCN1C[C@@H](C)O ZINC000173273165 248333041 /nfs/dbraw/zinc/33/30/41/248333041.db2.gz QCDCZWGFTKZNDC-MWLCHTKSSA-N 0 1 313.427 1.155 10 0 DDAEMN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cccnc2)cc1 ZINC000038709731 183007319 /nfs/dbraw/zinc/00/73/19/183007319.db2.gz HDOMBDROHPYXBO-UHFFFAOYSA-N 0 1 319.386 1.513 10 0 DDAEMN O=C([C@H]1CCCN1Cc1ccc(Cl)s1)N1CCNCC1 ZINC000040508030 183085467 /nfs/dbraw/zinc/08/54/67/183085467.db2.gz ZXNUQRQBFDGCIT-GFCCVEGCSA-N 0 1 313.854 1.798 10 0 DDAEMN C[NH+]1CCN(C(=O)N(CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000040524846 183091536 /nfs/dbraw/zinc/09/15/36/183091536.db2.gz FVVJQNNEFBKXNI-UHFFFAOYSA-N 0 1 311.769 1.598 10 0 DDAEMN COC(=O)CCS(=O)(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000042301760 183251311 /nfs/dbraw/zinc/25/13/11/183251311.db2.gz MVBNDEIPSHGGMR-UHFFFAOYSA-N 0 1 315.391 1.995 10 0 DDAEMN COc1ccccc1[C@@H](Sc1nc(N)cc(=O)[n-]1)[C@@H](C)[NH3+] ZINC000043101995 183338145 /nfs/dbraw/zinc/33/81/45/183338145.db2.gz XLSFYJPBGHVZCR-OQPBUACISA-N 0 1 306.391 1.541 10 0 DDAEMN O=C(N[C@H](c1cccs1)c1ccccc1)[C@H]1CNCCO1 ZINC000043708923 183382756 /nfs/dbraw/zinc/38/27/56/183382756.db2.gz IVUNGSOURMBFJS-HIFRSBDPSA-N 0 1 302.399 1.942 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(c2ccnc3c2cnn3C)C1 ZINC000284628740 218107370 /nfs/dbraw/zinc/10/73/70/218107370.db2.gz ULLWSENMTHBVQB-MFKMUULPSA-N 0 1 313.365 1.361 10 0 DDAEMN Cc1cc(N2CC[C@@](O)(c3cn[nH]n3)C2)c2cc(F)ccc2n1 ZINC000284668806 218125404 /nfs/dbraw/zinc/12/54/04/218125404.db2.gz WIQUTGJWWUAJOW-INIZCTEOSA-N 0 1 313.336 1.898 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000105264090 194089306 /nfs/dbraw/zinc/08/93/06/194089306.db2.gz CYQUQACJDOIVHJ-ZIAGYGMSSA-N 0 1 324.469 1.559 10 0 DDAEMN COCCCNC(=O)[C@H](C)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901050 194164352 /nfs/dbraw/zinc/16/43/52/194164352.db2.gz IXRBOKIMELEUCI-GJZGRUSLSA-N 0 1 308.426 1.370 10 0 DDAEMN O=S1(=O)CC[C@@H](NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000053585073 183906656 /nfs/dbraw/zinc/90/66/56/183906656.db2.gz WRMZAELUYZRXOH-LLVKDONJSA-N 0 1 323.336 1.861 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2N)CCN1C ZINC000110703241 194352011 /nfs/dbraw/zinc/35/20/11/194352011.db2.gz DXGYHAVSMSQKDW-LBPRGKRZSA-N 0 1 310.829 1.887 10 0 DDAEMN CN1CCN(C(=O)Cc2ccc(C(N)=S)cc2)CC1(C)C ZINC000110753336 194357321 /nfs/dbraw/zinc/35/73/21/194357321.db2.gz HPMOUHCKEGIDPR-UHFFFAOYSA-N 0 1 305.447 1.416 10 0 DDAEMN O=C(CNCc1ccc(F)cc1)N1CCC2(CC1)OCCO2 ZINC000057711908 184049062 /nfs/dbraw/zinc/04/90/62/184049062.db2.gz UFSXEPPLOFAQBL-UHFFFAOYSA-N 0 1 308.353 1.281 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)s1 ZINC000061644678 184180305 /nfs/dbraw/zinc/18/03/05/184180305.db2.gz ZGBBHCFEIDMJQE-MRVPVSSYSA-N 0 1 309.844 1.511 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2cc(N)c(F)cc2Cl)C1 ZINC000062965424 184262763 /nfs/dbraw/zinc/26/27/63/184262763.db2.gz KQBSTDSPBNFALQ-QMMMGPOBSA-N 0 1 321.805 1.386 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(N)c2)C1 ZINC000062965304 184262833 /nfs/dbraw/zinc/26/28/33/184262833.db2.gz CJHAXHRUSIESCH-VIFPVBQESA-N 0 1 303.815 1.247 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2N)C1 ZINC000062965253 184263222 /nfs/dbraw/zinc/26/32/22/184263222.db2.gz HFAPKKSWTWVYCJ-SNVBAGLBSA-N 0 1 303.815 1.247 10 0 DDAEMN O[C@@H](Cc1ccccc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247401194 285308413 /nfs/dbraw/zinc/30/84/13/285308413.db2.gz YMFRODUIIFHVHV-DLBZAZTESA-N 0 1 301.390 1.188 10 0 DDAEMN CN(C)C(=O)CO[C@H]1CO[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000247997913 257112189 /nfs/dbraw/zinc/11/21/89/257112189.db2.gz MZHOEIXYHJIIIA-GDBMZVCRSA-N 0 1 308.378 1.118 10 0 DDAEMN COCC[N@@H+]1C[C@H]2CN(Cc3ccco3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247831730 257116246 /nfs/dbraw/zinc/11/62/46/257116246.db2.gz HRTQGSPONCIJFP-RHSMWYFYSA-N 0 1 322.405 1.525 10 0 DDAEMN COCC[N@H+]1C[C@H]2CN(Cc3ccco3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247831730 257116247 /nfs/dbraw/zinc/11/62/47/257116247.db2.gz HRTQGSPONCIJFP-RHSMWYFYSA-N 0 1 322.405 1.525 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(CCOC)[C@@H](CC)C2)o1 ZINC000120970016 195273079 /nfs/dbraw/zinc/27/30/79/195273079.db2.gz PGOVEUHRUCWTDS-AWEZNQCLSA-N 0 1 324.421 1.999 10 0 DDAEMN CC(C)N1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1 ZINC000061537970 134801148 /nfs/dbraw/zinc/80/11/48/134801148.db2.gz DULFHNBYIYTTAX-UHFFFAOYSA-N 0 1 307.789 1.241 10 0 DDAEMN CCO[C@@H]1C[C@@H](NC(=O)CN(CC)C2CC2)C12CCOCC2 ZINC000248630093 286255547 /nfs/dbraw/zinc/25/55/47/286255547.db2.gz GWGCXEBYEHNCEL-HUUCEWRRSA-N 0 1 310.438 1.561 10 0 DDAEMN Clc1nc2ccccn2c1CNC[C@H]1CN(C2CC2)CCO1 ZINC000071880875 406861603 /nfs/dbraw/zinc/86/16/03/406861603.db2.gz BCXHZBBIRLEQMQ-ZDUSSCGKSA-N 0 1 320.824 1.941 10 0 DDAEMN Cc1cccc2c(O)c(C(=O)N3CCc4nc[nH]c4C3)cnc12 ZINC000096139598 407240895 /nfs/dbraw/zinc/24/08/95/407240895.db2.gz PSMGHFNCLVYRPS-UHFFFAOYSA-N 0 1 308.341 1.758 10 0 DDAEMN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106908226 407366683 /nfs/dbraw/zinc/36/66/83/407366683.db2.gz VOHWSOFLDCNPGQ-DLBZAZTESA-N 0 1 317.433 1.286 10 0 DDAEMN Cc1cnn([C@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)c1 ZINC000108867996 407391707 /nfs/dbraw/zinc/39/17/07/407391707.db2.gz NXLOZTITKPFBSD-AWEZNQCLSA-N 0 1 312.377 1.365 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)c1ccccc1OC ZINC000186095154 407574537 /nfs/dbraw/zinc/57/45/37/407574537.db2.gz IEOLBBILOIRIOU-CYBMUJFWSA-N 0 1 304.390 1.821 10 0 DDAEMN COc1c(CN2CCC[C@H](Cn3cncn3)C2)c(C)nn1C ZINC000128471920 407539222 /nfs/dbraw/zinc/53/92/22/407539222.db2.gz DRLWYGOQNGBSPC-ZDUSSCGKSA-N 0 1 304.398 1.241 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171531059 407697830 /nfs/dbraw/zinc/69/78/30/407697830.db2.gz MIYMETNMYOWEJB-HNNXBMFYSA-N 0 1 316.409 1.931 10 0 DDAEMN CCOC(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171629485 407726589 /nfs/dbraw/zinc/72/65/89/407726589.db2.gz UOWIKOUKBVRESN-MRXNPFEDSA-N 0 1 306.406 1.291 10 0 DDAEMN CN(C)C(=O)c1cccc(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171706033 407746344 /nfs/dbraw/zinc/74/63/44/407746344.db2.gz SDHAYUBHCMJFEQ-MRXNPFEDSA-N 0 1 313.405 1.817 10 0 DDAEMN COCc1cccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000179224248 407759046 /nfs/dbraw/zinc/75/90/46/407759046.db2.gz SDSNZYXMSKFBKY-HNNXBMFYSA-N 0 1 302.378 1.833 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000262203456 407763906 /nfs/dbraw/zinc/76/39/06/407763906.db2.gz NHTDHNOMROIAMF-QWHCGFSZSA-N 0 1 308.378 1.547 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2ncn(-c3ccccc3)n2)CC1 ZINC000179355714 407775510 /nfs/dbraw/zinc/77/55/10/407775510.db2.gz BZWZURODJSXHRZ-INIZCTEOSA-N 0 1 315.421 1.156 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000262369630 407813600 /nfs/dbraw/zinc/81/36/00/407813600.db2.gz WNRQJHUKJZQJBP-GWCFXTLKSA-N 0 1 306.362 1.901 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2ccccc2F)CCN1CCOC ZINC000117306892 407826634 /nfs/dbraw/zinc/82/66/34/407826634.db2.gz GZGSTIVMQJHFEB-OAHLLOKOSA-N 0 1 308.397 1.937 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000262447295 407836822 /nfs/dbraw/zinc/83/68/22/407836822.db2.gz GTYQOBUAYQJACY-STQMWFEESA-N 0 1 313.442 1.161 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262439646 407837231 /nfs/dbraw/zinc/83/72/31/407837231.db2.gz AKPGXUPLNZLYFT-ZDUSSCGKSA-N 0 1 313.442 1.162 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCCn2cccn2)CCN1CCOC ZINC000117475624 407837638 /nfs/dbraw/zinc/83/76/38/407837638.db2.gz NSFOHUVLLHZGND-OAHLLOKOSA-N 0 1 323.441 1.025 10 0 DDAEMN CCOc1cnc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cn1 ZINC000187474402 407860798 /nfs/dbraw/zinc/86/07/98/407860798.db2.gz KIBBFHAQTWBBGE-NSHDSACASA-N 0 1 302.338 1.361 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@@H](C)SC)C[C@@H]1CC ZINC000134019072 407880659 /nfs/dbraw/zinc/88/06/59/407880659.db2.gz ZDCNYTNVNFFUEQ-KGLIPLIRSA-N 0 1 317.499 1.880 10 0 DDAEMN CCC(C)(C)NC(=O)CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262476907 407844116 /nfs/dbraw/zinc/84/41/16/407844116.db2.gz JZWJJPICIWMLEQ-ZDUSSCGKSA-N 0 1 313.442 1.162 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)noc2C)CCN1C[C@@H](C)O ZINC000174644936 407972305 /nfs/dbraw/zinc/97/23/05/407972305.db2.gz MVMBFHSXUFLDHN-TYNCELHUSA-N 0 1 323.437 1.699 10 0 DDAEMN CC[C@@H](O)CN1CCN(CCOc2ccccc2OC)CC1 ZINC000174083041 407914954 /nfs/dbraw/zinc/91/49/54/407914954.db2.gz UQIIDYQXBJIRCD-OAHLLOKOSA-N 0 1 308.422 1.463 10 0 DDAEMN C[C@H]1NCCN(S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]1C ZINC000262761351 407919998 /nfs/dbraw/zinc/91/99/98/407919998.db2.gz JMFGDGQHTWMTFR-SFYZADRCSA-N 0 1 308.325 1.475 10 0 DDAEMN CCC[C@@H](C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262963080 407986396 /nfs/dbraw/zinc/98/63/96/407986396.db2.gz QMYPDAQKWIDHAQ-OLZOCXBDSA-N 0 1 300.399 1.057 10 0 DDAEMN CO[C@H](C)c1nc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cs1 ZINC000245454691 407987098 /nfs/dbraw/zinc/98/70/98/407987098.db2.gz ADYLXRKHYFSSNO-FRRDWIJNSA-N 0 1 313.467 1.737 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2cccc(C3CC3)c2)CCO1 ZINC000263351763 408114217 /nfs/dbraw/zinc/11/42/17/408114217.db2.gz PYUFJGMWYQMVCX-KRWDZBQOSA-N 0 1 318.417 1.781 10 0 DDAEMN C[C@@H](O)CN1CCN(Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000120662027 408139671 /nfs/dbraw/zinc/13/96/71/408139671.db2.gz RDBCACHFRGVOLN-WDEREUQCSA-N 0 1 302.340 1.991 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@](C)(CC)C2)C1 ZINC000263447933 408142956 /nfs/dbraw/zinc/14/29/56/408142956.db2.gz GKHOSMMWERNLTH-ZUEPYMLJSA-N 0 1 311.426 1.756 10 0 DDAEMN Cc1cccc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1C ZINC000263510234 408158714 /nfs/dbraw/zinc/15/87/14/408158714.db2.gz NDANGIPXFOQKDF-INIZCTEOSA-N 0 1 306.406 1.521 10 0 DDAEMN CC[C@H]1CN(Cc2ncnn2CC(C)C)CCN1CCOC ZINC000182751876 408238399 /nfs/dbraw/zinc/23/83/99/408238399.db2.gz RPCOPLIORIRRCF-HNNXBMFYSA-N 0 1 309.458 1.477 10 0 DDAEMN Cc1nc([C@H]2CN(c3cc(C)nc(C4CC4)n3)CCO2)n[nH]1 ZINC000175778218 408205504 /nfs/dbraw/zinc/20/55/04/408205504.db2.gz ZBGNUNINXGJQTJ-GFCCVEGCSA-N 0 1 300.366 1.667 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCOCC(F)F)CCN1CCOC ZINC000190289137 408212916 /nfs/dbraw/zinc/21/29/16/408212916.db2.gz YSXXOXOTCRYSSQ-GFCCVEGCSA-N 0 1 323.384 1.020 10 0 DDAEMN Cc1ccc(C)c(CC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246724815 408325824 /nfs/dbraw/zinc/32/58/24/408325824.db2.gz LRPDHCZSPUCSSK-CVEARBPZSA-N 0 1 304.434 1.759 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CCN1C[C@H](C)O ZINC000246749340 408329449 /nfs/dbraw/zinc/32/94/49/408329449.db2.gz GSHYQLOHMQFQMO-WCQYABFASA-N 0 1 313.829 1.596 10 0 DDAEMN COc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246805608 408345612 /nfs/dbraw/zinc/34/56/12/408345612.db2.gz BYPRHHZAXFJOBU-OLZOCXBDSA-N 0 1 310.419 1.552 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)CSCC(=O)OC(C)(C)C)C1 ZINC000172843130 162307852 /nfs/dbraw/zinc/30/78/52/162307852.db2.gz SVAJZGMFZFUGNM-GFCCVEGCSA-N 0 1 316.467 1.662 10 0 DDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)NCCC(C)C)CCO2)n[nH]1 ZINC000173353888 162334005 /nfs/dbraw/zinc/33/40/05/162334005.db2.gz XUTUYAZAVFUBFM-AAEUAGOBSA-N 0 1 309.414 1.037 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(F)ccc3C)CCO2)n[nH]1 ZINC000173516344 162344649 /nfs/dbraw/zinc/34/46/49/162344649.db2.gz MSRWTPVWOXNODN-ZDUSSCGKSA-N 0 1 304.325 1.774 10 0 DDAEMN COC(=O)c1oc(CN2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000173953181 162379662 /nfs/dbraw/zinc/37/96/62/162379662.db2.gz YXKKMKQYMMNKDO-CYBMUJFWSA-N 0 1 308.378 1.281 10 0 DDAEMN CN(CCN1CCOCC1)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000159220408 408392071 /nfs/dbraw/zinc/39/20/71/408392071.db2.gz JKONLKQLZXABGX-UHFFFAOYSA-N 0 1 309.429 1.522 10 0 DDAEMN C[C@H](O)CN1CCN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000247073335 408402957 /nfs/dbraw/zinc/40/29/57/408402957.db2.gz GQSFORPLYCUPPA-JYJNAYRXSA-N 0 1 311.470 1.020 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247174591 408420939 /nfs/dbraw/zinc/42/09/39/408420939.db2.gz NBOUGNIEHYNZJP-HOTGVXAUSA-N 0 1 313.486 1.724 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@H](C)CCOC)C[C@H]1CC ZINC000247230874 408433083 /nfs/dbraw/zinc/43/30/83/408433083.db2.gz WGWNTNCIUYHMAK-HUUCEWRRSA-N 0 1 315.458 1.554 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)NCCC(C)C)CCO2)n[nH]1 ZINC000247240006 408435580 /nfs/dbraw/zinc/43/55/80/408435580.db2.gz XUTUYAZAVFUBFM-DGCLKSJQSA-N 0 1 309.414 1.037 10 0 DDAEMN CC(C)OCCCCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248623319 408601441 /nfs/dbraw/zinc/60/14/41/408601441.db2.gz NNKRXLVGIZNEAM-GJZGRUSLSA-N 0 1 315.458 1.288 10 0 DDAEMN CCOC(=O)[C@@H](CC(C)C)N1CCN(CCOC)[C@@H](C)C1 ZINC000248410346 408561082 /nfs/dbraw/zinc/56/10/82/408561082.db2.gz DDYBXSAWBDNBJL-LSDHHAIUSA-N 0 1 300.443 1.617 10 0 DDAEMN CCCCOCCCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248623918 408600868 /nfs/dbraw/zinc/60/08/68/408600868.db2.gz NPXNWRXKHOKOTC-CABCVRRESA-N 0 1 315.458 1.290 10 0 DDAEMN CN(Cc1nnc[nH]1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000177147167 408535297 /nfs/dbraw/zinc/53/52/97/408535297.db2.gz GKHISERWSNUBHP-CYBMUJFWSA-N 0 1 310.785 1.468 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C)[nH]n1 ZINC000161512386 408609822 /nfs/dbraw/zinc/60/98/22/408609822.db2.gz ZERNJLGCLZEIJT-CXAGYDPISA-N 0 1 314.433 1.938 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C)[nH]n1 ZINC000161512468 408611238 /nfs/dbraw/zinc/61/12/38/408611238.db2.gz ZERNJLGCLZEIJT-SUMWQHHRSA-N 0 1 314.433 1.938 10 0 DDAEMN CCC[C@H](C(=O)Nc1nc(CC(=O)OCC)cs1)N(C)C ZINC000161670875 408625426 /nfs/dbraw/zinc/62/54/26/408625426.db2.gz BHEIDEPXMKVOFU-LLVKDONJSA-N 0 1 313.423 1.918 10 0 DDAEMN O=C1O[C@@H](C[N@H+]2CCC[C@H](Cn3cncn3)C2)CC12CCC2 ZINC000248831990 408642149 /nfs/dbraw/zinc/64/21/49/408642149.db2.gz IOQGASQTLXRDTK-UONOGXRCSA-N 0 1 304.394 1.476 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(F)c(-n2nnnc2C)c1)N(C)C ZINC000161981341 408656798 /nfs/dbraw/zinc/65/67/98/408656798.db2.gz VGFHGTAIOPEHRM-ZDUSSCGKSA-N 0 1 320.372 1.779 10 0 DDAEMN C[C@@H]1CC[C@H](Nc2nc[nH]c(=O)c2I)C1 ZINC000162906764 408743365 /nfs/dbraw/zinc/74/33/65/408743365.db2.gz ILBYCECYBDWBBR-RQJHMYQMSA-N 0 1 319.146 1.975 10 0 DDAEMN Cc1ccc(N2CCCN(C[C@@H](O)CC(F)(F)F)CC2)nn1 ZINC000249256521 408707819 /nfs/dbraw/zinc/70/78/19/408707819.db2.gz HKXVUPOXEXSXTR-LBPRGKRZSA-N 0 1 318.343 1.610 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249857031 408769886 /nfs/dbraw/zinc/76/98/86/408769886.db2.gz DPSYGPSBUPDVFY-GJZGRUSLSA-N 0 1 304.438 1.976 10 0 DDAEMN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250154374 408777296 /nfs/dbraw/zinc/77/72/96/408777296.db2.gz MVSHCMRBKOIYIW-CVEARBPZSA-N 0 1 321.465 1.722 10 0 DDAEMN CC(C)N1CC[C@H](N2C[C@H](CO)[C@H](c3ccsc3)C2)C1=O ZINC000188151783 163042934 /nfs/dbraw/zinc/04/29/34/163042934.db2.gz KVGZVGGBPBEHQH-ILXRZTDVSA-N 0 1 308.447 1.765 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000189486273 163103144 /nfs/dbraw/zinc/10/31/44/163103144.db2.gz VXSZJOJXXJGVGU-LBPRGKRZSA-N 0 1 323.360 1.637 10 0 DDAEMN O=C(Cc1ccc2c(c1)OCO2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195047985 163304870 /nfs/dbraw/zinc/30/48/70/163304870.db2.gz OZWUVQGENXQIPI-CQSZACIVSA-N 0 1 302.374 1.655 10 0 DDAEMN O=C(Cc1ccc2c(c1)OCO2)N1CCN2CCCC[C@@H]2C1 ZINC000195047985 163304873 /nfs/dbraw/zinc/30/48/73/163304873.db2.gz OZWUVQGENXQIPI-CQSZACIVSA-N 0 1 302.374 1.655 10 0 DDAEMN CC1(C)CN(C[C@H](O)COCc2ccccc2)C[C@H](CO)O1 ZINC000309793082 164005442 /nfs/dbraw/zinc/00/54/42/164005442.db2.gz GEFIMRYOJZGDCL-JKSUJKDBSA-N 0 1 309.406 1.036 10 0 DDAEMN CCc1nc([C@@H]2CN(c3cnc4ccccc4n3)CCO2)n[nH]1 ZINC000131623865 196185725 /nfs/dbraw/zinc/18/57/25/196185725.db2.gz NKFXSFBPLWJEKQ-ZDUSSCGKSA-N 0 1 310.361 1.888 10 0 DDAEMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192506865 418523449 /nfs/dbraw/zinc/52/34/49/418523449.db2.gz OXWIDVKJOPPGSV-NEPJUHHUSA-N 0 1 312.435 1.655 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)cc2)C[C@@H]1C ZINC000492488561 420573402 /nfs/dbraw/zinc/57/34/02/420573402.db2.gz JYUCBDBPVJSAQJ-QDDHOEGMSA-N 0 1 304.390 1.319 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCCF)[N@@H+]1Cc1ccccc1 ZINC000630650327 422239131 /nfs/dbraw/zinc/23/91/31/422239131.db2.gz OCYXWFDKQXSLRU-LSDHHAIUSA-N 0 1 322.380 1.970 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCCF)[N@H+]1Cc1ccccc1 ZINC000630650327 422239138 /nfs/dbraw/zinc/23/91/38/422239138.db2.gz OCYXWFDKQXSLRU-LSDHHAIUSA-N 0 1 322.380 1.970 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)NC2CCC2)[N@@H+]1Cc1ccccc1 ZINC000630647823 422240237 /nfs/dbraw/zinc/24/02/37/422240237.db2.gz CMKMGPWSFVIYLI-LSDHHAIUSA-N 0 1 302.374 1.773 10 0 DDAEMN O=C([O-])[C@H]1CC[C@@H](C(=O)NC2CCC2)[N@H+]1Cc1ccccc1 ZINC000630647823 422240241 /nfs/dbraw/zinc/24/02/41/422240241.db2.gz CMKMGPWSFVIYLI-LSDHHAIUSA-N 0 1 302.374 1.773 10 0 DDAEMN CCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653424 422244171 /nfs/dbraw/zinc/24/41/71/422244171.db2.gz DCNIAEUWQHEKJM-CABCVRRESA-N 0 1 304.390 1.973 10 0 DDAEMN CCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653424 422244176 /nfs/dbraw/zinc/24/41/76/422244176.db2.gz DCNIAEUWQHEKJM-CABCVRRESA-N 0 1 304.390 1.973 10 0 DDAEMN O[C@@H]1C[C@H](NCc2cc(Cl)cc3c2OCC3)[C@H]1n1cccn1 ZINC000657515713 424392083 /nfs/dbraw/zinc/39/20/83/424392083.db2.gz MVTNPIFMBGXFFT-RRFJBIMHSA-N 0 1 319.792 1.936 10 0 DDAEMN CN1C[C@H](CNCc2ncc(Br)s2)CC1=O ZINC000657696474 424479447 /nfs/dbraw/zinc/47/94/47/424479447.db2.gz UXAYCPHZWJWNHW-ZETCQYMHSA-N 0 1 304.213 1.474 10 0 DDAEMN Cc1nccn2c(N3CCN(C)CC3)nc(Br)c12 ZINC000089195587 274862627 /nfs/dbraw/zinc/86/26/27/274862627.db2.gz AWKMZDIRUFGVPH-UHFFFAOYSA-N 0 1 310.199 1.552 10 0 DDAEMN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000193586279 278561151 /nfs/dbraw/zinc/56/11/51/278561151.db2.gz OWNDNIVHBLJDCC-RIEGTJTDSA-N 0 1 321.808 1.947 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[nH]1 ZINC000187761143 293334677 /nfs/dbraw/zinc/33/46/77/293334677.db2.gz IJXUKDHYFBSKKR-DTWKUNHWSA-N 0 1 313.333 1.399 10 0 DDAEMN Cc1n[nH]c(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)n1 ZINC000187761143 293334679 /nfs/dbraw/zinc/33/46/79/293334679.db2.gz IJXUKDHYFBSKKR-DTWKUNHWSA-N 0 1 313.333 1.399 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369086429 307115648 /nfs/dbraw/zinc/11/56/48/307115648.db2.gz WQSVQMVSODWWPV-VHSXEESVSA-N 0 1 300.309 1.448 10 0 DDAEMN COC1(CNC(=O)N2CCN3CCCC[C@H]3C2)CCOCC1 ZINC000126594194 490658487 /nfs/dbraw/zinc/65/84/87/490658487.db2.gz FKYXQGWRCOEJSD-AWEZNQCLSA-N 0 1 311.426 1.062 10 0 DDAEMN Cc1cc(C[C@H](C)NC(=O)N2CCC(c3cc[nH]n3)CC2)n[nH]1 ZINC000158023405 524832092 /nfs/dbraw/zinc/83/20/92/524832092.db2.gz OISJUJUOQRSAGY-NSHDSACASA-N 0 1 316.409 1.961 10 0 DDAEMN COc1cccc(OCCN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000154484349 526232292 /nfs/dbraw/zinc/23/22/92/526232292.db2.gz XILIEBFWENMVIC-OAHLLOKOSA-N 0 1 318.377 1.574 10 0 DDAEMN CC(C)CC(=O)N1CCC(CN2CCn3c(n[nH]c3=O)C2)CC1 ZINC000328698994 527654978 /nfs/dbraw/zinc/65/49/78/527654978.db2.gz MAIFLDVKVZKXSI-UHFFFAOYSA-N 0 1 321.425 1.084 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000222555917 697757524 /nfs/dbraw/zinc/75/75/24/697757524.db2.gz WYRXLWGVRXMSNV-HOCLYGCPSA-N 0 1 313.401 1.250 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)c1cc(-c2cccs2)n[nH]1 ZINC000222550319 697758056 /nfs/dbraw/zinc/75/80/56/697758056.db2.gz WHNJNYHXVLJMGG-ZDUSSCGKSA-N 0 1 302.403 1.962 10 0 DDAEMN COCCN1CCN(C(=O)[C@@](C)(N)c2ccccc2)C[C@@H]1C ZINC000248874209 698382283 /nfs/dbraw/zinc/38/22/83/698382283.db2.gz IVDHWDHHGYRPMF-YOEHRIQHSA-N 0 1 305.422 1.040 10 0 DDAEMN CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](N)COC)cs1 ZINC000262307030 698463653 /nfs/dbraw/zinc/46/36/53/698463653.db2.gz OOCVTJFHUDQJIU-KOLCDFICSA-N 0 1 301.412 1.173 10 0 DDAEMN C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379617016 699059510 /nfs/dbraw/zinc/05/95/10/699059510.db2.gz MVYOTZMSHXCUBJ-DZGCQCFKSA-N 0 1 319.405 1.813 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(Cc3csnn3)C2)ccn1 ZINC000886041109 708687303 /nfs/dbraw/zinc/68/73/03/708687303.db2.gz QGELNLNYEXRKQX-OAHLLOKOSA-N 0 1 319.434 1.648 10 0 DDAEMN CCn1[nH]c(C)nc1=NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000888524044 709331659 /nfs/dbraw/zinc/33/16/59/709331659.db2.gz GPJSJQHYZPLTKJ-CQSZACIVSA-N 0 1 316.409 1.453 10 0 DDAEMN COc1cccc(CC(=O)N2CCC[C@@H]2c2nn[nH]n2)c1Cl ZINC000900390487 709570505 /nfs/dbraw/zinc/57/05/05/709570505.db2.gz OIXLRKCTEWJVST-SNVBAGLBSA-N 0 1 321.768 1.768 10 0 DDAEMN CCN(CC(=O)N1CCC[C@@H]1c1nn[nH]n1)c1ccccc1 ZINC000900397264 709576941 /nfs/dbraw/zinc/57/69/41/709576941.db2.gz YHKRYAXQUPLMPG-CYBMUJFWSA-N 0 1 300.366 1.390 10 0 DDAEMN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2n[nH]c(CO)n2)cc1 ZINC000912941620 713129649 /nfs/dbraw/zinc/12/96/49/713129649.db2.gz PGQUOBRLRAVGFX-ZIAGYGMSSA-N 0 1 314.389 1.840 10 0 DDAEMN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2nnc(CO)[nH]2)cc1 ZINC000912941620 713129651 /nfs/dbraw/zinc/12/96/51/713129651.db2.gz PGQUOBRLRAVGFX-ZIAGYGMSSA-N 0 1 314.389 1.840 10 0 DDAEMN C[C@H]1[C@@H](O)CCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC000908697059 712837096 /nfs/dbraw/zinc/83/70/96/712837096.db2.gz KQLBDEVMSIRZQB-LBDPXKHJSA-N 0 1 310.438 1.249 10 0 DDAEMN O=C([O-])CC[C@@H](NC(=O)[C@H]1CSC[NH2+]1)c1ccc(F)cc1 ZINC000074599547 185001318 /nfs/dbraw/zinc/00/13/18/185001318.db2.gz CJQQKMCYDKDZKQ-VXGBXAGGSA-N 0 1 312.366 1.510 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnccc1N(C)C ZINC000183864154 282100641 /nfs/dbraw/zinc/10/06/41/282100641.db2.gz OMPJFDLMMSOBHL-LBPRGKRZSA-N 0 1 300.366 1.312 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ccc(F)nc2)CCN1C[C@@H](C)O ZINC000181242584 199269844 /nfs/dbraw/zinc/26/98/44/199269844.db2.gz AHOSJXUNJAKTMI-YPMHNXCESA-N 0 1 310.373 1.530 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000249049262 282128900 /nfs/dbraw/zinc/12/89/00/282128900.db2.gz AAXQBOJFELCBNU-UONOGXRCSA-N 0 1 315.458 1.288 10 0 DDAEMN CC[N@@H+](C)CCNC(=O)NCC[C@H](CCC(=O)[O-])C(C)C ZINC000079252924 185162626 /nfs/dbraw/zinc/16/26/26/185162626.db2.gz YMQXXEMTOLMDGO-ZDUSSCGKSA-N 0 1 301.431 1.764 10 0 DDAEMN CN1CCO[C@@H](CNCc2sccc2Br)C1 ZINC000082462984 185185141 /nfs/dbraw/zinc/18/51/41/185185141.db2.gz MOCIXERPYNZPOO-VIFPVBQESA-N 0 1 305.241 1.931 10 0 DDAEMN COc1ccc(C)cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249528914 282166790 /nfs/dbraw/zinc/16/67/90/282166790.db2.gz JGGDKMJBJKMGIY-ZIAGYGMSSA-N 0 1 324.446 1.861 10 0 DDAEMN CNCc1nnc(-n2nc(C)c(Br)c2C)s1 ZINC000087698466 185230830 /nfs/dbraw/zinc/23/08/30/185230830.db2.gz UXEHYZUQOQBYST-UHFFFAOYSA-N 0 1 302.201 1.823 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000183643942 539242603 /nfs/dbraw/zinc/24/26/03/539242603.db2.gz UKVDDQANLPDICQ-CQSZACIVSA-N 0 1 311.813 1.947 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(Cc1ccccc1)C(C)C)C(C)C ZINC000183639471 539242635 /nfs/dbraw/zinc/24/26/35/539242635.db2.gz BKFZOUISJHEKTO-QGZVFWFLSA-N 0 1 319.449 1.784 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)Cc1ccc(OC)cc1)C(C)C ZINC000183655908 539242673 /nfs/dbraw/zinc/24/26/73/539242673.db2.gz DNWVKGBVCWBCKZ-MRXNPFEDSA-N 0 1 321.421 1.014 10 0 DDAEMN CNCc1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)C)o1 ZINC000088544052 185256619 /nfs/dbraw/zinc/25/66/19/185256619.db2.gz GSRZYPFHKZLAMQ-UHFFFAOYSA-N 0 1 314.329 1.960 10 0 DDAEMN Cc1nn(C)c2sc(C(=O)N3CCCN(C)CC3)c(N)c12 ZINC000088639828 185260844 /nfs/dbraw/zinc/26/08/44/185260844.db2.gz GLYHVDVYAWFRPJ-UHFFFAOYSA-N 0 1 307.423 1.303 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccn(C)c2C)C[C@H]1CC ZINC000195266956 539263660 /nfs/dbraw/zinc/26/36/60/539263660.db2.gz ZPFJCDZQCVPNHJ-OAHLLOKOSA-N 0 1 307.438 1.906 10 0 DDAEMN CNCc1cn(Cc2ccc(OC)c(Br)c2)nn1 ZINC000090295910 185289925 /nfs/dbraw/zinc/28/99/25/185289925.db2.gz PQKBIBXYTTZBOF-UHFFFAOYSA-N 0 1 311.183 1.817 10 0 DDAEMN CCc1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN2C)cc1N ZINC000092622559 185329589 /nfs/dbraw/zinc/32/95/89/185329589.db2.gz MZSMXVIEJDEZFV-ZDUSSCGKSA-N 0 1 311.451 1.546 10 0 DDAEMN Cc1ccc(N)c(S(=O)(=O)N(C)C[C@@H]2CCCN2C)c1C ZINC000092622367 185329684 /nfs/dbraw/zinc/32/96/84/185329684.db2.gz QEVFMWRWUGVOSQ-ZDUSSCGKSA-N 0 1 311.451 1.600 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c(C)c1F ZINC000181674777 199337022 /nfs/dbraw/zinc/33/70/22/199337022.db2.gz CFAPDBJAZRPCFV-NSHDSACASA-N 0 1 316.398 1.467 10 0 DDAEMN CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2c[nH]c(=O)cc2C(=O)[O-])C1 ZINC000675055258 539562587 /nfs/dbraw/zinc/56/25/87/539562587.db2.gz OXAKUCVOENRXIH-LLVKDONJSA-N 0 1 323.349 1.367 10 0 DDAEMN O=C(NCc1ccccc1CO)c1c[nH]nc1[C@H]1CCCCN1 ZINC000685942802 539566611 /nfs/dbraw/zinc/56/66/11/539566611.db2.gz QSKHFTNAHKQQKJ-OAHLLOKOSA-N 0 1 314.389 1.647 10 0 DDAEMN O=C(OCc1ccccc1)N1CCc2c(=O)[nH][nH]c2[C@H](F)C1 ZINC000725261876 539570524 /nfs/dbraw/zinc/57/05/24/539570524.db2.gz LRLHRTVXSOQLJC-NWDGAFQWSA-N 0 1 305.309 1.469 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2cnn(C)c2)C[C@@H]1CC ZINC000172127330 198043303 /nfs/dbraw/zinc/04/33/03/198043303.db2.gz PUWWXEFAGBCKFB-HNNXBMFYSA-N 0 1 323.441 1.062 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2cccnc2OC)CCN1C[C@@H](C)O ZINC000173272075 198204047 /nfs/dbraw/zinc/20/40/47/198204047.db2.gz YOYXUJIXVHTADH-OLZOCXBDSA-N 0 1 322.409 1.399 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(OC)cc3)CCO2)n[nH]1 ZINC000173578486 198229601 /nfs/dbraw/zinc/22/96/01/198229601.db2.gz RZFHHDYDMUWBRG-ZDUSSCGKSA-N 0 1 316.361 1.589 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cn3cc(C)ccc3n2)CC1 ZINC000174087758 198290606 /nfs/dbraw/zinc/29/06/06/198290606.db2.gz QCQGXIMPZCVSBA-INIZCTEOSA-N 0 1 302.422 1.531 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CCN1CCOC ZINC000117482693 353994521 /nfs/dbraw/zinc/99/45/21/353994521.db2.gz GTSAPXRBZSWBSQ-MRXNPFEDSA-N 0 1 320.437 1.642 10 0 DDAEMN CO[C@@H](c1ncc(I)c(=O)[nH]1)C1CC1 ZINC000131486457 354100508 /nfs/dbraw/zinc/10/05/08/354100508.db2.gz JARMBSSMAPEDNT-SSDOTTSWSA-N 0 1 306.103 1.472 10 0 DDAEMN CCc1ccc([C@H](C)NCC(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000154940220 354209152 /nfs/dbraw/zinc/20/91/52/354209152.db2.gz WGNWJNQXYPCDCA-STQMWFEESA-N 0 1 305.422 1.493 10 0 DDAEMN C[C@H]1CCCN(c2nc[nH]c(=O)c2I)C1 ZINC000162143800 354245599 /nfs/dbraw/zinc/24/55/99/354245599.db2.gz MPPZXDQGDRPARE-ZETCQYMHSA-N 0 1 319.146 1.611 10 0 DDAEMN N[C@@H]1CN(c2cccc(F)c2I)C1=O ZINC000300922154 354459479 /nfs/dbraw/zinc/45/94/79/354459479.db2.gz ZFGOTCCJNNFZMO-ZCFIWIBFSA-N 0 1 306.078 1.104 10 0 DDAEMN CCNCc1cc(S(=O)(=O)N2CCOC[C@H]2CC)c(C)o1 ZINC000088970072 192674527 /nfs/dbraw/zinc/67/45/27/192674527.db2.gz RBEQZIRUORUBOF-GFCCVEGCSA-N 0 1 316.423 1.497 10 0 DDAEMN CCCCOC[C@H](O)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000195178705 201352899 /nfs/dbraw/zinc/35/28/99/201352899.db2.gz OFMPCWGRKSMNNO-FUHWJXTLSA-N 0 1 321.465 1.938 10 0 DDAEMN COc1ccc([C@H](O)CNC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000195246244 201364881 /nfs/dbraw/zinc/36/48/81/201364881.db2.gz UPWKXMAODIIAGE-AEFFLSMTSA-N 0 1 314.385 1.719 10 0 DDAEMN CCn1cc(O[C@@H]2CN(CCOCC3CCC3)C[C@H]2O)cn1 ZINC000625614272 367049435 /nfs/dbraw/zinc/04/94/35/367049435.db2.gz SSFQLOZIRXGAGK-HZPDHXFCSA-N 0 1 309.410 1.144 10 0 DDAEMN Cn1cc(O[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@H]2O)cn1 ZINC000625629022 367057958 /nfs/dbraw/zinc/05/79/58/367057958.db2.gz ONRKOYKHNYFPJP-QZTJIDSGSA-N 0 1 324.384 1.592 10 0 DDAEMN Cc1[nH]ncc1CNS(=O)(=O)c1ccc(CC(N)=S)cc1 ZINC000092131730 193166598 /nfs/dbraw/zinc/16/65/98/193166598.db2.gz BDUYQWJTXVWKHB-UHFFFAOYSA-N 0 1 324.431 1.025 10 0 DDAEMN O=C([C@@H]1CSc2ccccc21)N1CCCN(CCO)CC1 ZINC000092238877 193178129 /nfs/dbraw/zinc/17/81/29/193178129.db2.gz WWOQNRQNFAWEHH-CQSZACIVSA-N 0 1 306.431 1.403 10 0 DDAEMN COC(=O)[C@]1(N)CC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093850573 193318727 /nfs/dbraw/zinc/31/87/27/193318727.db2.gz JYUNHUVNIGVUKD-GWCFXTLKSA-N 0 1 311.411 1.303 10 0 DDAEMN CN(CCS(C)(=O)=O)Cc1csc(CNC(C)(C)C)n1 ZINC000094300810 193358366 /nfs/dbraw/zinc/35/83/66/193358366.db2.gz PXDPGWSMJDXPPK-UHFFFAOYSA-N 0 1 319.496 1.508 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H](CN(C)C)C(C)C ZINC000094360277 193365044 /nfs/dbraw/zinc/36/50/44/193365044.db2.gz NUZWJPMUOOHOKR-ZDUSSCGKSA-N 0 1 317.430 1.581 10 0 DDAEMN CN(C)[C@@H](CNC(=O)[C@@](C)(N)C(F)(F)F)c1cccs1 ZINC000094236635 193353584 /nfs/dbraw/zinc/35/35/84/193353584.db2.gz GTLILSWSBMFNKG-GZMMTYOYSA-N 0 1 309.357 1.747 10 0 DDAEMN CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(CN)o2)c1 ZINC000094566568 193380750 /nfs/dbraw/zinc/38/07/50/193380750.db2.gz NMPUZFLZOHCYII-UHFFFAOYSA-N 0 1 312.322 1.533 10 0 DDAEMN CS(=O)(=O)CC[C@H](N)C(=O)Nc1ccccc1C(F)(F)F ZINC000021021108 182261292 /nfs/dbraw/zinc/26/12/92/182261292.db2.gz ZTFWPLBOGWHSBX-VIFPVBQESA-N 0 1 324.324 1.406 10 0 DDAEMN c1c(CN2CC[C@H](N3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000121096930 248268570 /nfs/dbraw/zinc/26/85/70/248268570.db2.gz UQXPRVPAVDHJSQ-KRWDZBQOSA-N 0 1 312.417 1.983 10 0 DDAEMN Nc1cc(S(=O)(=O)NCCN2CCCCCC2)ccc1F ZINC000040767146 183131823 /nfs/dbraw/zinc/13/18/23/183131823.db2.gz SXHWVNQZPIUPAD-UHFFFAOYSA-N 0 1 315.414 1.562 10 0 DDAEMN COc1ccc(NC(=O)[C@H](C)Sc2nnc(C)[nH]2)c(N)c1 ZINC000041632571 183212534 /nfs/dbraw/zinc/21/25/34/183212534.db2.gz CEIYYBVBVBJVQA-ZETCQYMHSA-N 0 1 307.379 1.823 10 0 DDAEMN COc1ccc(NC(=O)[C@H](C)Sc2nc(C)n[nH]2)c(N)c1 ZINC000041632571 183212535 /nfs/dbraw/zinc/21/25/35/183212535.db2.gz CEIYYBVBVBJVQA-ZETCQYMHSA-N 0 1 307.379 1.823 10 0 DDAEMN CC[C@H](C)[C@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682514 183216666 /nfs/dbraw/zinc/21/66/66/183216666.db2.gz WFXQFGYORRENGA-STQMWFEESA-N 0 1 301.431 1.905 10 0 DDAEMN COc1ccccc1[C@H](Sc1nc(N)cc(=O)[n-]1)[C@H](C)[NH3+] ZINC000043101998 183338436 /nfs/dbraw/zinc/33/84/36/183338436.db2.gz XLSFYJPBGHVZCR-ISVAXAHUSA-N 0 1 306.391 1.541 10 0 DDAEMN COC[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000284712810 218145309 /nfs/dbraw/zinc/14/53/09/218145309.db2.gz YVWAILXIPZNRDH-KBPBESRZSA-N 0 1 316.361 1.348 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCCCC2)CCN1CCOC ZINC000105835957 194142010 /nfs/dbraw/zinc/14/20/10/194142010.db2.gz FFWHPPWZXLCVIN-MRXNPFEDSA-N 0 1 311.470 1.432 10 0 DDAEMN CCOCCN1CCN(CC(=O)N(C)CC2CC2)C[C@H]1CC ZINC000105838411 194144721 /nfs/dbraw/zinc/14/47/21/194144721.db2.gz MMVDXMHQKSYWKE-MRXNPFEDSA-N 0 1 311.470 1.288 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(CCOC(C)(C)C)CC1 ZINC000105865975 194149301 /nfs/dbraw/zinc/14/93/01/194149301.db2.gz BZEDACXDROZCGO-UHFFFAOYSA-N 0 1 308.470 1.970 10 0 DDAEMN Cc1cnn([C@H]2CCCN(CCN3C(=O)NC(C)(C)C3=O)C2)c1 ZINC000105901225 194164957 /nfs/dbraw/zinc/16/49/57/194164957.db2.gz HSZPBHIJLQRFDT-ZDUSSCGKSA-N 0 1 319.409 1.159 10 0 DDAEMN COc1ncccc1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106430201 194212831 /nfs/dbraw/zinc/21/28/31/194212831.db2.gz XHACDMUIUVOXPQ-MRXNPFEDSA-N 0 1 313.401 1.879 10 0 DDAEMN Cn1cnnc1CCn1c(N)nc2cc(Br)ccc21 ZINC000110443950 194330231 /nfs/dbraw/zinc/33/02/31/194330231.db2.gz UVMGOQPRJRIUIJ-UHFFFAOYSA-N 0 1 321.182 1.752 10 0 DDAEMN CN1CC[C@@H](NC(=O)c2cc(N)c(F)cc2Br)C1 ZINC000061088714 184161473 /nfs/dbraw/zinc/16/14/73/184161473.db2.gz PZLUTUZYAJXFHE-SSDOTTSWSA-N 0 1 316.174 1.604 10 0 DDAEMN NNc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cn1 ZINC000061120875 184162604 /nfs/dbraw/zinc/16/26/04/184162604.db2.gz SJBLTGSIROFAGX-UHFFFAOYSA-N 0 1 318.280 1.585 10 0 DDAEMN CCN(CC)c1nc(Cl)nc(N[C@H]2CN3CCC2CC3)n1 ZINC000061536722 184173162 /nfs/dbraw/zinc/17/31/62/184173162.db2.gz KQVRVOXIUJISHS-NSHDSACASA-N 0 1 310.833 1.877 10 0 DDAEMN COCCCN1[C@H](C)CN(C(=O)NC2CCOCC2)C[C@@H]1C ZINC000062221224 184223735 /nfs/dbraw/zinc/22/37/35/184223735.db2.gz IPMYMKUVHXRFPE-OKILXGFUSA-N 0 1 313.442 1.306 10 0 DDAEMN CCNS(=O)(=O)NC[C@H](c1ccc(OCC)cc1)N(C)C ZINC000062359013 184232726 /nfs/dbraw/zinc/23/27/26/184232726.db2.gz RBASOVLRORPSRY-CQSZACIVSA-N 0 1 315.439 1.132 10 0 DDAEMN CC(C)C[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(Cl)cc1 ZINC000062743475 184252048 /nfs/dbraw/zinc/25/20/48/184252048.db2.gz NAZWEJRXPKMXCG-UHFFFAOYSA-N 0 1 312.797 1.999 10 0 DDAEMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(Cl)cc1 ZINC000062743475 184252049 /nfs/dbraw/zinc/25/20/49/184252049.db2.gz NAZWEJRXPKMXCG-UHFFFAOYSA-N 0 1 312.797 1.999 10 0 DDAEMN CNCc1nc(N2CC[C@H](N3CCOCC3)C2)ccc1Cl ZINC000062983170 184264386 /nfs/dbraw/zinc/26/43/86/184264386.db2.gz SPXIPYYFPRUDBK-LBPRGKRZSA-N 0 1 310.829 1.365 10 0 DDAEMN Cc1[nH]c2ccccc2c1C(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000155261282 197037535 /nfs/dbraw/zinc/03/75/35/197037535.db2.gz GSNUQBVEPYWAIT-AWEZNQCLSA-N 0 1 315.417 1.921 10 0 DDAEMN COc1cccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1F ZINC000120516098 195181572 /nfs/dbraw/zinc/18/15/72/195181572.db2.gz MUTSDUHHQNUXKY-LBPRGKRZSA-N 0 1 320.324 1.475 10 0 DDAEMN COCC[N@H+]1CCN(Cc2ccc(N3CCCC3)nc2)C[C@@H]1C ZINC000120806605 195241558 /nfs/dbraw/zinc/24/15/58/195241558.db2.gz YCZQMEMTZRHUPB-INIZCTEOSA-N 0 1 318.465 1.834 10 0 DDAEMN COCCN1CCN(Cc2ccc(N3CCCC3)nc2)C[C@@H]1C ZINC000120806605 195241559 /nfs/dbraw/zinc/24/15/59/195241559.db2.gz YCZQMEMTZRHUPB-INIZCTEOSA-N 0 1 318.465 1.834 10 0 DDAEMN O=C(NC1CC1)[C@]12CCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000247723413 257119749 /nfs/dbraw/zinc/11/97/49/257119749.db2.gz BZWAGHJQRGVFMV-RDJZCZTQSA-N 0 1 301.390 1.341 10 0 DDAEMN CCOCCN1CCN(C(=O)Nc2cnn(C)c2)C[C@H]1CC ZINC000121826325 195356911 /nfs/dbraw/zinc/35/69/11/195356911.db2.gz TXKZYDGQJSQKSE-CQSZACIVSA-N 0 1 309.414 1.385 10 0 DDAEMN C[C@@H](Nc1nc2[nH]ncc2c(=O)[nH]1)c1ccc(-n2cncn2)cc1 ZINC000302265226 533564532 /nfs/dbraw/zinc/56/45/32/533564532.db2.gz FJTYHOSVLASCMZ-SECBINFHSA-N 0 1 322.332 1.812 10 0 DDAEMN CCOCCN1CCN(C(=O)N[C@@H](CC)COC)C[C@@H]1CC ZINC000163190697 286084867 /nfs/dbraw/zinc/08/48/67/286084867.db2.gz MZBIPACFTWPFBB-GJZGRUSLSA-N 0 1 315.458 1.554 10 0 DDAEMN O=C(c1cccnc1-n1cccn1)N1CCN2CCCC[C@@H]2C1 ZINC000071839838 406851333 /nfs/dbraw/zinc/85/13/33/406851333.db2.gz ZOCZETGQGMENHE-CQSZACIVSA-N 0 1 311.389 1.578 10 0 DDAEMN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1c(F)cc(F)cc1F ZINC000085987977 407107122 /nfs/dbraw/zinc/10/71/22/407107122.db2.gz KGICRYBPXHXKMW-UFBFGSQYSA-N 0 1 323.336 1.933 10 0 DDAEMN CCc1ccccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000122680424 407307820 /nfs/dbraw/zinc/30/78/20/407307820.db2.gz QWMVGUPHZSWREP-AWEZNQCLSA-N 0 1 300.362 1.889 10 0 DDAEMN CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCC2)CCN1C[C@@H](C)O ZINC000105912757 407357699 /nfs/dbraw/zinc/35/76/99/407357699.db2.gz LVGGLCPOQSUECK-OWCLPIDISA-N 0 1 311.470 1.164 10 0 DDAEMN COc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1 ZINC000170240266 407440903 /nfs/dbraw/zinc/44/09/03/407440903.db2.gz JHXLBAGUPFUXKO-CMPLNLGQSA-N 0 1 300.362 1.796 10 0 DDAEMN COc1ccc([C@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 ZINC000170240266 407440906 /nfs/dbraw/zinc/44/09/06/407440906.db2.gz JHXLBAGUPFUXKO-CMPLNLGQSA-N 0 1 300.362 1.796 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000151560872 407456741 /nfs/dbraw/zinc/45/67/41/407456741.db2.gz BGDRVNFFEDMEKN-CQSZACIVSA-N 0 1 324.396 1.501 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000261556060 407539760 /nfs/dbraw/zinc/53/97/60/407539760.db2.gz VQBZDVPZWCLJOE-INIZCTEOSA-N 0 1 314.385 1.856 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000178671050 407540303 /nfs/dbraw/zinc/54/03/03/407540303.db2.gz NFZRKEYFNRQSKP-SJORKVTESA-N 0 1 320.433 1.159 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000262314834 407794051 /nfs/dbraw/zinc/79/40/51/407794051.db2.gz POTIUNADLODRFS-SNVBAGLBSA-N 0 1 310.354 1.180 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000262359653 407811527 /nfs/dbraw/zinc/81/15/27/407811527.db2.gz VJWHHVNGKAZSJE-GFCCVEGCSA-N 0 1 309.366 1.785 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C)c(C)c2)C1 ZINC000262713882 407906399 /nfs/dbraw/zinc/90/63/99/407906399.db2.gz MPQACRCCJCENCS-UHFFFAOYSA-N 0 1 304.390 1.971 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000118857463 407952605 /nfs/dbraw/zinc/95/26/05/407952605.db2.gz ZPIFIHIPYVXFEC-OWCLPIDISA-N 0 1 311.470 1.164 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CCC(Cn2cccn2)CC1 ZINC000188088912 407916826 /nfs/dbraw/zinc/91/68/26/407916826.db2.gz JIDGQIMGRUWLQM-UHFFFAOYSA-N 0 1 310.361 1.707 10 0 DDAEMN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262790576 407934363 /nfs/dbraw/zinc/93/43/63/407934363.db2.gz RRKOEZDOZGMPKR-WRWORJQWSA-N 0 1 308.325 1.380 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cnn3ccccc23)C1 ZINC000262802570 407939536 /nfs/dbraw/zinc/93/95/36/407939536.db2.gz MUQWESBWGYWZOQ-UHFFFAOYSA-N 0 1 316.361 1.002 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@H]3CCCOCC3)CCO2)n[nH]1 ZINC000181827982 408045617 /nfs/dbraw/zinc/04/56/17/408045617.db2.gz DXUYHJGZBXPFJI-RYUDHWBXSA-N 0 1 323.397 1.019 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC000263074022 408018718 /nfs/dbraw/zinc/01/87/18/408018718.db2.gz GHXVNVHPZVURRN-WLYUNCDWSA-N 0 1 306.406 1.787 10 0 DDAEMN CO[C@@H](C)CN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000182147340 408081068 /nfs/dbraw/zinc/08/10/68/408081068.db2.gz OTUUGJXEYXMOCU-HOTGVXAUSA-N 0 1 308.422 1.079 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCCOC3CCCC3)CCO2)n[nH]1 ZINC000175420769 408126884 /nfs/dbraw/zinc/12/68/84/408126884.db2.gz IMVPJWKDSBLQLY-ZDUSSCGKSA-N 0 1 323.397 1.155 10 0 DDAEMN CC[C@H](C)[C@H](Nc1nc(N[C@H]2CCCOC2)cc[nH+]1)C(=O)[O-] ZINC000263434663 408138552 /nfs/dbraw/zinc/13/85/52/408138552.db2.gz UTPXKPJCVRAVQZ-GVXVVHGQSA-N 0 1 308.382 1.979 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)CCN1C[C@H](C)O ZINC000246113266 408144344 /nfs/dbraw/zinc/14/43/44/408144344.db2.gz QETSXMYQTXZUIO-MJBXVCDLSA-N 0 1 320.437 1.133 10 0 DDAEMN O=C(C[C@H]1CSCCS1)N1CCN2CCCC[C@@H]2C1 ZINC000246200728 408176080 /nfs/dbraw/zinc/17/60/80/408176080.db2.gz PNCFAFJOOWPIGU-OLZOCXBDSA-N 0 1 300.493 1.922 10 0 DDAEMN CCN(CC(=O)OC(C)(C)C)C1CCN(CC(=O)OC)CC1 ZINC000190354975 408226332 /nfs/dbraw/zinc/22/63/32/408226332.db2.gz FKGGAOMOCYMJBK-UHFFFAOYSA-N 0 1 314.426 1.287 10 0 DDAEMN Cc1ccc(C)c(CC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246724830 408325043 /nfs/dbraw/zinc/32/50/43/408325043.db2.gz LRPDHCZSPUCSSK-HOTGVXAUSA-N 0 1 304.434 1.759 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151231047 408279451 /nfs/dbraw/zinc/27/94/51/408279451.db2.gz KPQWPSNHZAXIKT-NVXWUHKLSA-N 0 1 320.437 1.987 10 0 DDAEMN C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H]1N1CCOCC1 ZINC000246515785 408280842 /nfs/dbraw/zinc/28/08/42/408280842.db2.gz QYPJPJUWVLXPSP-NVXWUHKLSA-N 0 1 323.481 1.430 10 0 DDAEMN CCc1cnc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000190623965 408290240 /nfs/dbraw/zinc/29/02/40/408290240.db2.gz ZJOKZFBDYBKCKD-JQWIXIFHSA-N 0 1 324.450 1.489 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(C)c2)CCN1C[C@H](C)O ZINC000246590774 408297811 /nfs/dbraw/zinc/29/78/11/408297811.db2.gz SVLHENJWRDITHF-QRBHQTINSA-N 0 1 317.433 1.707 10 0 DDAEMN CCc1ccccc1NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000171645904 162233551 /nfs/dbraw/zinc/23/35/51/162233551.db2.gz CUHPYWLQVZTBJQ-ZFWWWQNUSA-N 0 1 305.422 1.496 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(COC)o3)CCO2)n[nH]1 ZINC000173570312 162348806 /nfs/dbraw/zinc/34/88/06/162348806.db2.gz WKWINDXLXGBJRG-GFCCVEGCSA-N 0 1 320.349 1.320 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(C)nc3C)CCO2)n[nH]1 ZINC000173571119 162348949 /nfs/dbraw/zinc/34/89/49/162348949.db2.gz CGKVXDBOAAHEPK-ZDUSSCGKSA-N 0 1 315.377 1.593 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)CCO2)n[nH]1 ZINC000173612421 162350668 /nfs/dbraw/zinc/35/06/68/162350668.db2.gz AQQJAKVDQMCZIC-QWHCGFSZSA-N 0 1 321.425 1.141 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CCO2)n[nH]1 ZINC000173612421 162350670 /nfs/dbraw/zinc/35/06/70/162350670.db2.gz AQQJAKVDQMCZIC-QWHCGFSZSA-N 0 1 321.425 1.141 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cn4c(cccc4C)n3)CCO2)n[nH]1 ZINC000173665023 162355263 /nfs/dbraw/zinc/35/52/63/162355263.db2.gz BIGVHXPRCGRFDY-CQSZACIVSA-N 0 1 312.377 1.643 10 0 DDAEMN Cc1nc([C@H]2CN(C[C@H](O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173664795 162355482 /nfs/dbraw/zinc/35/54/82/162355482.db2.gz WPLYZDOZRZMHJR-UONOGXRCSA-N 0 1 324.331 1.498 10 0 DDAEMN CC(=O)Nc1cccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173674766 162356411 /nfs/dbraw/zinc/35/64/11/162356411.db2.gz AZTASXCOTPEXSR-OAHLLOKOSA-N 0 1 315.377 1.645 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc(C)c3O)CCO2)n[nH]1 ZINC000173755489 162361624 /nfs/dbraw/zinc/36/16/24/162361624.db2.gz JVQIDCKXLUVZBP-GFCCVEGCSA-N 0 1 302.334 1.341 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)CCN1C[C@H](C)O ZINC000247154569 408417199 /nfs/dbraw/zinc/41/71/99/408417199.db2.gz LVGGLCPOQSUECK-ARFHVFGLSA-N 0 1 311.470 1.164 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@@H](O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000247227237 408433695 /nfs/dbraw/zinc/43/36/95/408433695.db2.gz WPLYZDOZRZMHJR-KGLIPLIRSA-N 0 1 324.331 1.498 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)c1cnn(CC)c1 ZINC000247969502 408522880 /nfs/dbraw/zinc/52/28/80/408522880.db2.gz FKHFIZCOBWNVHE-KBPBESRZSA-N 0 1 304.394 1.171 10 0 DDAEMN CCc1cnc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000177121345 408525106 /nfs/dbraw/zinc/52/51/06/408525106.db2.gz YPCNROHVYJOZPY-SNVBAGLBSA-N 0 1 322.394 1.737 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2c(C)noc2C)CCN1C[C@H](C)O ZINC000248429565 408565642 /nfs/dbraw/zinc/56/56/42/408565642.db2.gz AELSGQILVBYJRE-FZMZJTMJSA-N 0 1 324.425 1.278 10 0 DDAEMN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C12CCOCC2 ZINC000248581051 408591581 /nfs/dbraw/zinc/59/15/81/408591581.db2.gz SEZREAZJWWXWDT-OWCLPIDISA-N 0 1 324.465 1.951 10 0 DDAEMN Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000252443687 408793231 /nfs/dbraw/zinc/79/32/31/408793231.db2.gz NVHQJASAMQESMX-CHWSQXEVSA-N 0 1 312.410 1.991 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)CCN1CCOC ZINC000252321501 408794287 /nfs/dbraw/zinc/79/42/87/408794287.db2.gz AQHMFYUKOGGHIJ-HZPDHXFCSA-N 0 1 311.470 1.430 10 0 DDAEMN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000253359588 408813451 /nfs/dbraw/zinc/81/34/51/408813451.db2.gz YDMJRRDYYXCESZ-LSDHHAIUSA-N 0 1 307.438 1.474 10 0 DDAEMN COCCC(C)(C)CNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185139641 408767854 /nfs/dbraw/zinc/76/78/54/408767854.db2.gz QLPAIBBRWXGDFR-ZIAGYGMSSA-N 0 1 315.458 1.146 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000194156330 408769299 /nfs/dbraw/zinc/76/92/99/408769299.db2.gz XLHDSDJZSXMRRP-LBPRGKRZSA-N 0 1 323.368 1.373 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000250071591 408774288 /nfs/dbraw/zinc/77/42/88/408774288.db2.gz NYPPOJDCSCFDGS-YESZJQIVSA-N 0 1 304.434 1.827 10 0 DDAEMN COCCN1CCN(Cc2nccc(OC)c2OC)C[C@@H]1C ZINC000190523672 163144311 /nfs/dbraw/zinc/14/43/11/163144311.db2.gz SZHPQDFYKYTFBX-ZDUSSCGKSA-N 0 1 309.410 1.251 10 0 DDAEMN C/C=C(\CC)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000191604255 163194634 /nfs/dbraw/zinc/19/46/34/163194634.db2.gz GGQUOEVPXXLXGY-DNIVAWAASA-N 0 1 323.481 1.596 10 0 DDAEMN CCn1cc(C2CCN(CC(=O)N(C)CC3CC3)CC2)cn1 ZINC000195501085 163324726 /nfs/dbraw/zinc/32/47/26/163324726.db2.gz XFENMFLQJCHKND-UHFFFAOYSA-N 0 1 304.438 1.951 10 0 DDAEMN CCCNC(=O)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515615 163326454 /nfs/dbraw/zinc/32/64/54/163326454.db2.gz XTSOPNMWWLQYHJ-CYBMUJFWSA-N 0 1 319.409 1.051 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)OC)CCN1CCOC ZINC000248840306 287142920 /nfs/dbraw/zinc/14/29/20/287142920.db2.gz NOXQOKIJUKBAQK-MELADBBJSA-N 0 1 301.431 1.162 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)CCN1C[C@@H](C)O ZINC000193802970 287177466 /nfs/dbraw/zinc/17/74/66/287177466.db2.gz RTOYUSFJAQPSGT-CHWSQXEVSA-N 0 1 308.426 1.450 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2OC)C1 ZINC000193071627 222142727 /nfs/dbraw/zinc/14/27/27/222142727.db2.gz UBOOORDPIRRWHF-ZDUSSCGKSA-N 0 1 319.405 1.543 10 0 DDAEMN C[C@H](Nc1nc2[nH]ncc2c(=O)[nH]1)c1ccc(-n2cncn2)cc1 ZINC000302265227 230203700 /nfs/dbraw/zinc/20/37/00/230203700.db2.gz FJTYHOSVLASCMZ-VIFPVBQESA-N 0 1 322.332 1.812 10 0 DDAEMN COc1nsc(CN[C@@H]2CCOC[C@@H]2O)c1Br ZINC000630074325 421873530 /nfs/dbraw/zinc/87/35/30/421873530.db2.gz OFGNHQLPGJHBKE-RQJHMYQMSA-N 0 1 323.212 1.154 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CC(=O)[O-] ZINC000635521449 422071499 /nfs/dbraw/zinc/07/14/99/422071499.db2.gz RMOSTAFISJKJTK-HIFRSBDPSA-N 0 1 319.405 1.481 10 0 DDAEMN Cc1cccc2nc(CN3CCC[C@](O)(c4c[nH]nn4)C3)cn21 ZINC000583617927 422203594 /nfs/dbraw/zinc/20/35/94/422203594.db2.gz KPTIKBPYXJMHFG-MRXNPFEDSA-N 0 1 312.377 1.244 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000638010726 422553272 /nfs/dbraw/zinc/55/32/72/422553272.db2.gz LXMOZWMPNUEBRY-PQEBFOHHSA-N 0 1 320.433 1.586 10 0 DDAEMN CN(Cc1ccccc1)C(=O)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182678120 263376233 /nfs/dbraw/zinc/37/62/33/263376233.db2.gz CLSQXBSEFYWKFP-HNNXBMFYSA-N 0 1 313.405 1.990 10 0 DDAEMN CC[C@@H]1C[N@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)CCS1 ZINC000643874060 423390426 /nfs/dbraw/zinc/39/04/26/423390426.db2.gz NOQPOLKLLAPNCQ-VXGBXAGGSA-N 0 1 300.424 1.280 10 0 DDAEMN CN(C)[C@@H]1CCN(c2ncnc3ccc(S(C)(=O)=O)cc32)C1 ZINC000302920681 273808857 /nfs/dbraw/zinc/80/88/57/273808857.db2.gz ZKZBXDYWYWWCDY-LLVKDONJSA-N 0 1 320.418 1.174 10 0 DDAEMN CCOCCN1CCN([C@@H](C(N)=O)c2ccccc2)C[C@@H]1CC ZINC000252321859 276323207 /nfs/dbraw/zinc/32/32/07/276323207.db2.gz ZEPVFJOCBYSCHS-DLBZAZTESA-N 0 1 319.449 1.646 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2F)CC1 ZINC000173452261 276643747 /nfs/dbraw/zinc/64/37/47/276643747.db2.gz RIRRVJJERLGJLE-XJKSGUPXSA-N 0 1 324.396 1.428 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/SCc2ccco2)C[C@@H]1C ZINC000246734004 282010992 /nfs/dbraw/zinc/01/09/92/282010992.db2.gz XTQMPSHUNIBYIQ-OQOLLCEYSA-N 0 1 324.446 1.940 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247163359 282036888 /nfs/dbraw/zinc/03/68/88/282036888.db2.gz SVOHHNRYHMWFST-OWCLPIDISA-N 0 1 317.433 1.320 10 0 DDAEMN CCOCCN1CCN(C(=O)NCC(C)(C)OC)C[C@@H]1CC ZINC000173235396 298253976 /nfs/dbraw/zinc/25/39/76/298253976.db2.gz OGTKEJHTDDNRQH-AWEZNQCLSA-N 0 1 315.458 1.554 10 0 DDAEMN CCc1noc([C@@]2(O)CCN(Cc3cccc4nccn43)C2)n1 ZINC000377834328 302240422 /nfs/dbraw/zinc/24/04/22/302240422.db2.gz KQHHRABMEBGKRI-MRXNPFEDSA-N 0 1 313.361 1.373 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCO[C@@H](C)C3)CCO2)n[nH]1 ZINC000371517316 307152269 /nfs/dbraw/zinc/15/22/69/307152269.db2.gz ZROJHXIMKTXBNK-SRVKXCTJSA-N 0 1 308.382 1.082 10 0 DDAEMN CCCn1cc(CN[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cn1 ZINC000328628661 528846050 /nfs/dbraw/zinc/84/60/50/528846050.db2.gz HLLWGKSVWQZZMH-CQSZACIVSA-N 0 1 316.409 1.547 10 0 DDAEMN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1nnnn1C1CC1 ZINC000191500465 697608744 /nfs/dbraw/zinc/60/87/44/697608744.db2.gz VPVRLKSIIVAAPQ-LBPRGKRZSA-N 0 1 318.400 1.930 10 0 DDAEMN COCCn1ccc(NS(=O)(=O)/C=C\c2ccccc2)n1 ZINC000255619266 698421275 /nfs/dbraw/zinc/42/12/75/698421275.db2.gz PCIXVDZGVOWAMB-WQLSENKSSA-N 0 1 307.375 1.942 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2cn(C)nc2Br)C[C@H]1C(=O)[O-] ZINC000712401494 699262143 /nfs/dbraw/zinc/26/21/43/699262143.db2.gz NZQVSEGMOGQGMK-VXNVDRBHSA-N 0 1 302.172 1.335 10 0 DDAEMN O=C(c1ccncc1Br)N1CCC[C@H]1c1nn[nH]n1 ZINC000720647983 699307348 /nfs/dbraw/zinc/30/73/48/699307348.db2.gz GFDJQHJBOFSOPO-VIFPVBQESA-N 0 1 323.154 1.335 10 0 DDAEMN O=C([O-])c1cccc(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000827952993 706092937 /nfs/dbraw/zinc/09/29/37/706092937.db2.gz RKFNQNBHOFXXDV-HNNXBMFYSA-N 0 1 302.374 1.624 10 0 DDAEMN O=C(C1CN([C@@H]2CCOC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000896849092 708163706 /nfs/dbraw/zinc/16/37/06/708163706.db2.gz AGGINRSCHJGTES-CABCVRRESA-N 0 1 304.394 1.184 10 0 DDAEMN CCn1cnnc1[C@@H]1CN(C(=O)[C@H]2CCN2C(C)(C)C)CCO1 ZINC000897471609 708343096 /nfs/dbraw/zinc/34/30/96/708343096.db2.gz PITODQOJTFLQPE-OLZOCXBDSA-N 0 1 321.425 1.071 10 0 DDAEMN Cc1nocc1CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000886038094 708686738 /nfs/dbraw/zinc/68/67/38/708686738.db2.gz HVPNXOIAJZFVLX-IUODEOHRSA-N 0 1 303.366 1.168 10 0 DDAEMN CCc1noc(C)c1CN1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000886071816 708692477 /nfs/dbraw/zinc/69/24/77/708692477.db2.gz LJLKAMTULMUAJA-SWLSCSKDSA-N 0 1 305.382 1.288 10 0 DDAEMN CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccon3)C2)ccn1 ZINC000886095364 708697268 /nfs/dbraw/zinc/69/72/68/708697268.db2.gz TWQJAMSBMUXJQZ-CQSZACIVSA-N 0 1 316.361 1.425 10 0 DDAEMN Cc1noc(C[C@]2(O)CCCN(Cc3c(C)n[nH]c3C)C2)n1 ZINC000888076976 709209776 /nfs/dbraw/zinc/20/97/76/709209776.db2.gz APGHVFKUVCCZFI-OAHLLOKOSA-N 0 1 305.382 1.288 10 0 DDAEMN O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@H]1c1nn[n-]n1 ZINC000900389010 709568770 /nfs/dbraw/zinc/56/87/70/709568770.db2.gz AVXLQWMQRNOSBS-ZDUSSCGKSA-N 0 1 304.398 1.128 10 0 DDAEMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000930773733 713916948 /nfs/dbraw/zinc/91/69/48/713916948.db2.gz GZMFOUHNDQMNAJ-BLLLJJGKSA-N 0 1 309.385 1.587 10 0 DDAEMN CC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1C[C@H](C)O ZINC000248464677 282086103 /nfs/dbraw/zinc/08/61/03/282086103.db2.gz YQANBYLCVBFHCE-WFASDCNBSA-N 0 1 309.454 1.662 10 0 DDAEMN C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000081901502 192334851 /nfs/dbraw/zinc/33/48/51/192334851.db2.gz DBAYRJZMQLLPGB-RYUDHWBXSA-N 0 1 313.419 1.932 10 0 DDAEMN CC(C)[C@H]1CCCN(S(=O)(=O)c2ccnc(NN)c2)CC1 ZINC000079357927 185166918 /nfs/dbraw/zinc/16/69/18/185166918.db2.gz FIPBXUYEBPQVKB-LBPRGKRZSA-N 0 1 312.439 1.814 10 0 DDAEMN CCC[C@@H]1CCCN(S(=O)(=O)c2ccnc(NN)c2)CC1 ZINC000079357876 185166971 /nfs/dbraw/zinc/16/69/71/185166971.db2.gz ZFJLYESEFXLHQB-GFCCVEGCSA-N 0 1 312.439 1.958 10 0 DDAEMN C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)[C@H]1CCCO1 ZINC000083177826 185216066 /nfs/dbraw/zinc/21/60/66/185216066.db2.gz LQBMYXRFLMEVRE-DZGCQCFKSA-N 0 1 311.426 1.060 10 0 DDAEMN Cc1c([C@H]2[C@H](NCc3cncs3)CC(=O)N2C)cnn1C ZINC000328642288 231279182 /nfs/dbraw/zinc/27/91/82/231279182.db2.gz YKAMMEJLEWKOBM-OCCSQVGLSA-N 0 1 305.407 1.247 10 0 DDAEMN O=c1cc(CN2CCC[C@H](n3cccn3)C2)nc2ccccn12 ZINC000328679049 231305613 /nfs/dbraw/zinc/30/56/13/231305613.db2.gz BLDPBJHFFRADJY-HNNXBMFYSA-N 0 1 309.373 1.728 10 0 DDAEMN O=C(C[C@H]1CCCCNC1=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000328790301 231344589 /nfs/dbraw/zinc/34/45/89/231344589.db2.gz QEYNAWOYVVAHDO-HUUCEWRRSA-N 0 1 323.437 1.314 10 0 DDAEMN COC(=O)CCS(=O)(=O)[C@H]1CCCc2ccccc2[C@H]1N ZINC000081974823 192348032 /nfs/dbraw/zinc/34/80/32/192348032.db2.gz FSTNLMCMLQMKFN-DZGCQCFKSA-N 0 1 311.403 1.369 10 0 DDAEMN CN(CCN(C)Cc1ccc(F)cc1)CC(=O)N1CCOCC1 ZINC000173214873 539227528 /nfs/dbraw/zinc/22/75/28/539227528.db2.gz CHZQKFPEKZMAMH-UHFFFAOYSA-N 0 1 323.412 1.048 10 0 DDAEMN CN[C@H]1c2ccccc2CC[C@H]1S(=O)(=O)CCC(=O)OC ZINC000081974588 192348295 /nfs/dbraw/zinc/34/82/95/192348295.db2.gz SZHYXOQRXFRFIM-HIFRSBDPSA-N 0 1 311.403 1.240 10 0 DDAEMN Cc1noc(C)c1S(=O)(=O)N1CCNCC12CCCCC2 ZINC000088396194 185248456 /nfs/dbraw/zinc/24/84/56/185248456.db2.gz NPQZFNLNSPVOGI-UHFFFAOYSA-N 0 1 313.423 1.588 10 0 DDAEMN COC(=O)[C@](C)(CN1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000088435586 185250379 /nfs/dbraw/zinc/25/03/79/185250379.db2.gz ZCRPAMWDSJHLGT-ZDUSSCGKSA-N 0 1 308.344 1.944 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCCO[C@@H](C)C2)o1 ZINC000088544560 185257031 /nfs/dbraw/zinc/25/70/31/185257031.db2.gz UXEAQHCMOWNNLU-LBPRGKRZSA-N 0 1 316.423 1.577 10 0 DDAEMN CCOCC[N@H+]1CCN(c2ncnc3onc(C)c32)C[C@H]1CC ZINC000193394379 539261319 /nfs/dbraw/zinc/26/13/19/539261319.db2.gz KUVKWHZPSVGJPY-CYBMUJFWSA-N 0 1 319.409 1.863 10 0 DDAEMN CCOCCN1CCN(c2ncnc3onc(C)c32)C[C@H]1CC ZINC000193394379 539261320 /nfs/dbraw/zinc/26/13/20/539261320.db2.gz KUVKWHZPSVGJPY-CYBMUJFWSA-N 0 1 319.409 1.863 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCCO2)CCN1C[C@H](C)O ZINC000248458743 539272051 /nfs/dbraw/zinc/27/20/51/539272051.db2.gz QPQYRYNYRCTBNB-GBJTYRQASA-N 0 1 313.442 1.041 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000088884317 185268758 /nfs/dbraw/zinc/26/87/58/185268758.db2.gz PSICGOKPRASLKD-AAEUAGOBSA-N 0 1 313.423 1.554 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)NCc1ccc(Cl)s1 ZINC000088902313 185270695 /nfs/dbraw/zinc/27/06/95/185270695.db2.gz BNZOVVKJEIRHBL-UHFFFAOYSA-N 0 1 321.811 1.404 10 0 DDAEMN COc1ccc([C@H](N)[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990168 192350740 /nfs/dbraw/zinc/35/07/40/192350740.db2.gz MVURSHUVWTXBOM-IAQYHMDHSA-N 0 1 313.419 1.677 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(N)cc(F)c1 ZINC000092622101 185329896 /nfs/dbraw/zinc/32/98/96/185329896.db2.gz OAKWWOZKKAYNPU-LBPRGKRZSA-N 0 1 301.387 1.123 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1c(N)cccc1Cl ZINC000092622389 185330142 /nfs/dbraw/zinc/33/01/42/185330142.db2.gz CNELPYBULGKLPJ-SNVBAGLBSA-N 0 1 317.842 1.637 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccnc1Cl ZINC000092627889 185330324 /nfs/dbraw/zinc/33/03/24/185330324.db2.gz BTVOTXSEKJFVOO-LLVKDONJSA-N 0 1 317.842 1.840 10 0 DDAEMN CN(Cc1ccccc1Cl)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092780412 185340120 /nfs/dbraw/zinc/34/01/20/185340120.db2.gz GQKOMODANVLAKV-ZDUSSCGKSA-N 0 1 304.781 1.736 10 0 DDAEMN C[C@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1ccccc1Cl ZINC000092781408 185340149 /nfs/dbraw/zinc/34/01/49/185340149.db2.gz FNVQCCCRIUJKGU-TVQRCGJNSA-N 0 1 304.781 1.955 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N(Cc1ccsc1)C1CC1 ZINC000092781160 185340586 /nfs/dbraw/zinc/34/05/86/185340586.db2.gz ZOXQKGSBYUFBLL-ZDUSSCGKSA-N 0 1 302.403 1.677 10 0 DDAEMN Cc1cc([C@@H](C)NC(=O)[C@@H]2Cc3nc[nH]c3CN2)c(C)s1 ZINC000092780157 185340634 /nfs/dbraw/zinc/34/06/34/185340634.db2.gz WBNDQXXWTOKXJV-RNCFNFMXSA-N 0 1 304.419 1.980 10 0 DDAEMN Cc1nn(C)c(Cl)c1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246578103 282268164 /nfs/dbraw/zinc/26/81/64/282268164.db2.gz VZRABJYGBQSTAH-FZMZJTMJSA-N 0 1 312.845 1.534 10 0 DDAEMN CC(C)CCOc1ccc([C@@H](C)NCC(=O)NC(N)=O)cc1 ZINC000181739588 199345512 /nfs/dbraw/zinc/34/55/12/199345512.db2.gz KAANMBZNVGLRDG-GFCCVEGCSA-N 0 1 307.394 1.957 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2c(N)cccc2Cl)n[nH]1 ZINC000080511127 192163271 /nfs/dbraw/zinc/16/32/71/192163271.db2.gz CJFJXHNHIHFANV-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C)CC1 ZINC000072294549 191110432 /nfs/dbraw/zinc/11/04/32/191110432.db2.gz HWBNLNHBYLCAFC-NRUITVPNSA-N 0 1 323.462 1.213 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2cnn(C)c2)C[C@H]1CC ZINC000172127327 198043624 /nfs/dbraw/zinc/04/36/24/198043624.db2.gz PUWWXEFAGBCKFB-OAHLLOKOSA-N 0 1 323.441 1.062 10 0 DDAEMN Oc1ccc(Br)c(CN[C@H]2CCOC[C@@H]2O)c1 ZINC000623766256 366046428 /nfs/dbraw/zinc/04/64/28/366046428.db2.gz CQYHNYQRCDIRBG-RYUDHWBXSA-N 0 1 302.168 1.394 10 0 DDAEMN COCC(=O)N1CCC[C@H]1c1nccnc1Nc1ncccn1 ZINC000072384774 191144607 /nfs/dbraw/zinc/14/46/07/191144607.db2.gz SJOKYOZLXBNERN-NSHDSACASA-N 0 1 314.349 1.320 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccccc2F)CCN1C[C@@H](C)O ZINC000173271823 198204218 /nfs/dbraw/zinc/20/42/18/198204218.db2.gz WXVDCDOKGFSJGT-HIFRSBDPSA-N 0 1 323.412 1.812 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3cc(Cl)cn3C)CCO2)n[nH]1 ZINC000173566831 198228170 /nfs/dbraw/zinc/22/81/70/198228170.db2.gz ZRTWDLNWKBVQND-LLVKDONJSA-N 0 1 323.784 1.573 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000174091694 198290594 /nfs/dbraw/zinc/29/05/94/198290594.db2.gz CYLXSGOOXSRGAX-INIZCTEOSA-N 0 1 324.396 1.581 10 0 DDAEMN CC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@H](CC)CN1 ZINC000086448571 192571762 /nfs/dbraw/zinc/57/17/62/192571762.db2.gz PBRBJOIKSIAGBW-STQMWFEESA-N 0 1 314.455 1.188 10 0 DDAEMN CN(c1cccnn1)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189139370 200354506 /nfs/dbraw/zinc/35/45/06/200354506.db2.gz DJKLHLHZUKLAMD-LBPRGKRZSA-N 0 1 318.343 1.691 10 0 DDAEMN O=C([O-])[C@@H]1C[N@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@H]1C1CC1 ZINC000091818682 193112447 /nfs/dbraw/zinc/11/24/47/193112447.db2.gz HCKGFFPBYDGLHT-JKSUJKDBSA-N 0 1 320.433 1.820 10 0 DDAEMN O=C(N[C@@H]1COc2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000246431785 284132177 /nfs/dbraw/zinc/13/21/77/284132177.db2.gz MZDZBYAREUZMBY-DZGCQCFKSA-N 0 1 301.390 2.000 10 0 DDAEMN CC(C)(CNc1[nH+]c2c(cc1C(=O)[O-])CCC2)S(C)(=O)=O ZINC000093535908 193266045 /nfs/dbraw/zinc/26/60/45/193266045.db2.gz BVCTVDSGKWSVMU-UHFFFAOYSA-N 0 1 312.391 1.504 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H](n2cc(Br)cn2)C1 ZINC000093758787 193301493 /nfs/dbraw/zinc/30/14/93/193301493.db2.gz LNVTVQCCUNDQLG-ONGXEEELSA-N 0 1 302.172 1.631 10 0 DDAEMN CCN1CCO[C@@H](c2noc(-c3sc(CN)nc3C)n2)C1 ZINC000093897123 193324946 /nfs/dbraw/zinc/32/49/46/193324946.db2.gz SOEVOWSAVSKUMM-SECBINFHSA-N 0 1 309.395 1.353 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000094358692 193364247 /nfs/dbraw/zinc/36/42/47/193364247.db2.gz UVVWEFUHEWWMTH-CYBMUJFWSA-N 0 1 311.451 1.600 10 0 DDAEMN NCc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)s1 ZINC000094441203 193370186 /nfs/dbraw/zinc/37/01/86/193370186.db2.gz OIZOPIXJBJTUJF-LLVKDONJSA-N 0 1 315.464 1.066 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(N)cccc1F ZINC000094457234 193371569 /nfs/dbraw/zinc/37/15/69/193371569.db2.gz ZJAPFBZIKCDXQN-GHMZBOCLSA-N 0 1 313.398 1.265 10 0 DDAEMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(CN)o1 ZINC000094566124 193380656 /nfs/dbraw/zinc/38/06/56/193380656.db2.gz XZCOKTWLIPYEST-UHFFFAOYSA-N 0 1 308.359 1.703 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000094779674 193397493 /nfs/dbraw/zinc/39/74/93/193397493.db2.gz OAWJRVSYQKMAGG-SNVBAGLBSA-N 0 1 301.387 1.041 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C)C1 ZINC000175103956 248392507 /nfs/dbraw/zinc/39/25/07/248392507.db2.gz VASNFIITNWMSEM-GFCCVEGCSA-N 0 1 307.369 1.673 10 0 DDAEMN O=C([C@H]1CC(=O)Nc2ccccc21)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000333532753 249014316 /nfs/dbraw/zinc/01/43/16/249014316.db2.gz YLGLQBWLGIRXEA-PWSUYJOCSA-N 0 1 311.345 1.247 10 0 DDAEMN COc1nccnc1CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000333600071 249036632 /nfs/dbraw/zinc/03/66/32/249036632.db2.gz VANJRGWRLHSYMA-ZDUSSCGKSA-N 0 1 301.394 1.673 10 0 DDAEMN CSCC[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000043559482 183371051 /nfs/dbraw/zinc/37/10/51/183371051.db2.gz QIZDNZWXWJPEAQ-USZNOCQGSA-N 0 1 302.440 1.570 10 0 DDAEMN CN1CCN(CCNc2ccc(N)cc2Br)CC1 ZINC000043597082 183375289 /nfs/dbraw/zinc/37/52/89/183375289.db2.gz PBPXEOORPDCGPS-UHFFFAOYSA-N 0 1 313.243 1.691 10 0 DDAEMN CC(C)[NH+]1CCN(c2nnc(SCC(=O)[O-])s2)CC1 ZINC000044242168 183399266 /nfs/dbraw/zinc/39/92/66/183399266.db2.gz YXFIRSFPHOURMU-UHFFFAOYSA-N 0 1 302.425 1.245 10 0 DDAEMN CCOC(=O)CCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820611 194136329 /nfs/dbraw/zinc/13/63/29/194136329.db2.gz VDVORTHZWGKQJG-KRWDZBQOSA-N 0 1 320.433 1.681 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC000105822760 194138655 /nfs/dbraw/zinc/13/86/55/194138655.db2.gz KYKZVSFOHCHXDB-LSDHHAIUSA-N 0 1 311.470 1.164 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C)c2ccccc2)CCN1CCOC ZINC000105836029 194143307 /nfs/dbraw/zinc/14/33/07/194143307.db2.gz PXPNPBIFGHNHKE-MRXNPFEDSA-N 0 1 319.449 1.692 10 0 DDAEMN CC[C@@H]1CN(Cc2nnc(C(C)C)n2C)CCN1CCOC ZINC000105837353 194143766 /nfs/dbraw/zinc/14/37/66/194143766.db2.gz QYFQCAKRDXPSAU-CQSZACIVSA-N 0 1 309.458 1.481 10 0 DDAEMN FC(F)(F)COCCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000105890667 194159060 /nfs/dbraw/zinc/15/90/60/194159060.db2.gz GPDVOIHQZNYUPD-GFCCVEGCSA-N 0 1 307.316 1.553 10 0 DDAEMN C[C@@H](C(=O)N1CCCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000105910090 194166417 /nfs/dbraw/zinc/16/64/17/194166417.db2.gz RJKLFDSICZXRJZ-AWEZNQCLSA-N 0 1 317.437 1.754 10 0 DDAEMN Cc1cc(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n[nH]1 ZINC000285092975 218288368 /nfs/dbraw/zinc/28/83/68/218288368.db2.gz YPKAORNDLZYHEH-HNNXBMFYSA-N 0 1 318.381 1.014 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)OCC(C)C)CC1 ZINC000109466592 194266532 /nfs/dbraw/zinc/26/65/32/194266532.db2.gz KILSRVAVOPHIIS-GFCCVEGCSA-N 0 1 301.456 1.851 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)Cc2cccs2)CC1 ZINC000109461592 194265495 /nfs/dbraw/zinc/26/54/95/194265495.db2.gz QLWAFYMSBQRRCM-GFCCVEGCSA-N 0 1 311.476 1.500 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000109464630 194265935 /nfs/dbraw/zinc/26/59/35/194265935.db2.gz GHXXVLMKURLOHQ-CHWSQXEVSA-N 0 1 313.467 1.155 10 0 DDAEMN O=S(=O)([N-]CC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1F ZINC000110792312 194359296 /nfs/dbraw/zinc/35/92/96/194359296.db2.gz UASFVCAJVCRYKB-SECBINFHSA-N 0 1 322.352 1.772 10 0 DDAEMN CCN(CC)c1nc(Cl)nc(N[C@@H]2CN3CCC2CC3)n1 ZINC000061536720 184172621 /nfs/dbraw/zinc/17/26/21/184172621.db2.gz KQVRVOXIUJISHS-LLVKDONJSA-N 0 1 310.833 1.877 10 0 DDAEMN CC(C)N1CCN(C(=O)[C@H](C(N)=S)c2ccccc2)CC1 ZINC000061616187 184178583 /nfs/dbraw/zinc/17/85/83/184178583.db2.gz VJMPQNKQNJTNJA-AWEZNQCLSA-N 0 1 305.447 1.609 10 0 DDAEMN CN[C@@H](CCSc1nc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000062599409 184244877 /nfs/dbraw/zinc/24/48/77/184244877.db2.gz GJBYOICRPKHAND-NSHDSACASA-N 0 1 309.391 1.815 10 0 DDAEMN O=C([O-])c1c(Cl)cccc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062981060 184264348 /nfs/dbraw/zinc/26/43/48/184264348.db2.gz RUQFYQRQOMJOOW-LLVKDONJSA-N 0 1 310.781 1.949 10 0 DDAEMN Cc1nccnc1-c1cccc(C2(c3nnn[n-]3)CC[NH2+]CC2)c1 ZINC000063772366 184288487 /nfs/dbraw/zinc/28/84/87/184288487.db2.gz LEUPZASAMMQFAO-UHFFFAOYSA-N 0 1 321.388 1.635 10 0 DDAEMN Cc1nccnc1-c1cccc(C2(c3nn[n-]n3)CC[NH2+]CC2)c1 ZINC000063772366 184288489 /nfs/dbraw/zinc/28/84/89/184288489.db2.gz LEUPZASAMMQFAO-UHFFFAOYSA-N 0 1 321.388 1.635 10 0 DDAEMN COCCN1CCN(Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000120842138 195249017 /nfs/dbraw/zinc/24/90/17/195249017.db2.gz YMWUVDSNBFNBCZ-AWEZNQCLSA-N 0 1 315.421 1.624 10 0 DDAEMN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2N1C(C)C ZINC000248036486 257110688 /nfs/dbraw/zinc/11/06/88/257110688.db2.gz ZKBSAPAWQBSKJM-HRCADAONSA-N 0 1 315.417 1.356 10 0 DDAEMN CC(=O)N1C[C@H]2C[N@@H+](Cc3cccs3)CCC[C@@]2(C(=O)[O-])C1 ZINC000247918957 257114989 /nfs/dbraw/zinc/11/49/89/257114989.db2.gz GRCHZJXRSMZWKL-CZUORRHYSA-N 0 1 322.430 1.893 10 0 DDAEMN CCn1nccc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000121569589 195307391 /nfs/dbraw/zinc/30/73/91/195307391.db2.gz LCLMFYMDWCCSSL-UHFFFAOYSA-N 0 1 302.426 1.344 10 0 DDAEMN COC[C@@H](C)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000103430145 407338850 /nfs/dbraw/zinc/33/88/50/407338850.db2.gz XKWFMOFXWMPNQA-MRXNPFEDSA-N 0 1 319.449 1.597 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cc(F)c(F)cc2F)CC1 ZINC000123607669 407334069 /nfs/dbraw/zinc/33/40/69/407334069.db2.gz OYEBQFXJLKVHNF-GFCCVEGCSA-N 0 1 302.340 1.992 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1cnn(C)c1 ZINC000106903510 407365551 /nfs/dbraw/zinc/36/55/51/407365551.db2.gz AJTCERLFFAWTHO-MRXNPFEDSA-N 0 1 300.406 1.551 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000170873718 407540859 /nfs/dbraw/zinc/54/08/59/407540859.db2.gz MVGYRRXGJDLOBR-JTQLQIEISA-N 0 1 306.790 1.804 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)CSC[C@@H]2CCCCO2)C1 ZINC000171189696 407619904 /nfs/dbraw/zinc/61/99/04/407619904.db2.gz IPZKMDHRYYKQIV-KGLIPLIRSA-N 0 1 300.468 1.889 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)CSC[C@@H]2CCCCO2)C1 ZINC000171189696 407619913 /nfs/dbraw/zinc/61/99/13/407619913.db2.gz IPZKMDHRYYKQIV-KGLIPLIRSA-N 0 1 300.468 1.889 10 0 DDAEMN CSCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000186245647 407620107 /nfs/dbraw/zinc/62/01/07/407620107.db2.gz LWUIHYRLSQOELH-QWHCGFSZSA-N 0 1 303.472 1.226 10 0 DDAEMN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CCCCc1cn[nH]n1 ZINC000186432749 407665003 /nfs/dbraw/zinc/66/50/03/407665003.db2.gz APORABQIWSGTAF-NSHDSACASA-N 0 1 310.398 1.706 10 0 DDAEMN CCCN1c2ccc(NC(=O)[C@H](N)COC)cc2CCC1=O ZINC000262077598 407731894 /nfs/dbraw/zinc/73/18/94/407731894.db2.gz QAJFMLFYWCKXJK-CYBMUJFWSA-N 0 1 305.378 1.288 10 0 DDAEMN CCOCCCNC(=O)[C@@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116315884 407742820 /nfs/dbraw/zinc/74/28/20/407742820.db2.gz WZDLEISTDHPEKR-KGLIPLIRSA-N 0 1 308.426 1.141 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168710 407757111 /nfs/dbraw/zinc/75/71/11/407757111.db2.gz ANYKVZDFMVTMHV-QMTHXVAHSA-N 0 1 310.369 1.765 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000262168596 407757337 /nfs/dbraw/zinc/75/73/37/407757337.db2.gz ANLYKSWXQXONML-HNNXBMFYSA-N 0 1 301.346 1.573 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2ccc(C)nc2)C[C@H]1CC ZINC000116767847 407772932 /nfs/dbraw/zinc/77/29/32/407772932.db2.gz RUJHHHXCMOMOGS-QGZVFWFLSA-N 0 1 319.449 1.892 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000262337946 407804702 /nfs/dbraw/zinc/80/47/02/407804702.db2.gz SJYQHLDVLNDLNS-CABZTGNLSA-N 0 1 315.211 1.470 10 0 DDAEMN CCOCCN1CCN(C(=O)NC2CCOCC2)C[C@H]1CC ZINC000117036354 407807706 /nfs/dbraw/zinc/80/77/06/407807706.db2.gz HMCUGXZNSQRUMP-OAHLLOKOSA-N 0 1 313.442 1.308 10 0 DDAEMN CCCCc1noc(CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)n1 ZINC000262510195 407853909 /nfs/dbraw/zinc/85/39/09/407853909.db2.gz JZLWJMYTZZZCCH-ZDUSSCGKSA-N 0 1 324.425 1.783 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000180690299 407912442 /nfs/dbraw/zinc/91/24/42/407912442.db2.gz MZGKTQJETRDGIA-KGLIPLIRSA-N 0 1 324.421 1.824 10 0 DDAEMN CC[C@@H]1CN(C(=O)CC[C@@H]2CC[C@H](C)O2)CCN1CCOC ZINC000173665201 407893219 /nfs/dbraw/zinc/89/32/19/407893219.db2.gz SOEHNDVKVZHQMI-XHSDSOJGSA-N 0 1 312.454 1.903 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262693857 407901873 /nfs/dbraw/zinc/90/18/73/407901873.db2.gz AWLZICCGYYGQBS-UTINFBMNSA-N 0 1 310.316 1.485 10 0 DDAEMN Cc1nn(C)c2ncc(CN3CC[C@H](N4CCOCC4)C3)cc12 ZINC000173944277 407905466 /nfs/dbraw/zinc/90/54/66/407905466.db2.gz QPDPNHPPFNBOHD-HNNXBMFYSA-N 0 1 315.421 1.183 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3ccc(O)cc3)CCO2)n[nH]1 ZINC000180086077 407851164 /nfs/dbraw/zinc/85/11/64/407851164.db2.gz OXERCPHXBKEFSG-GBXSZLQWSA-N 0 1 314.345 1.432 10 0 DDAEMN CCCC[C@@H](CC)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262833244 407951136 /nfs/dbraw/zinc/95/11/36/407951136.db2.gz IAWAUHXPCMTFSV-KGLIPLIRSA-N 0 1 314.426 1.447 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccc(C)cc2)C1 ZINC000262851737 407955944 /nfs/dbraw/zinc/95/59/44/407955944.db2.gz XCDSNKLOVAPHMR-UHFFFAOYSA-N 0 1 318.417 1.981 10 0 DDAEMN C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262956151 407982105 /nfs/dbraw/zinc/98/21/05/407982105.db2.gz KFVFOQKGAZSXFR-GMTAPVOTSA-N 0 1 322.327 1.582 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000174093142 407913517 /nfs/dbraw/zinc/91/35/17/407913517.db2.gz DHIOKQXJDTVCLF-IRXDYDNUSA-N 0 1 322.449 1.123 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2ccnc(Cl)c2)C[C@@H]1C ZINC000245603940 408024556 /nfs/dbraw/zinc/02/45/56/408024556.db2.gz XMFHZSZZRSYKJO-GFSGRHGLSA-N 0 1 323.824 1.662 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(CC(=O)NC(C)(C)CC)CC1 ZINC000262984468 407993063 /nfs/dbraw/zinc/99/30/63/407993063.db2.gz UOMFVLTYAGVYFJ-UHFFFAOYSA-N 0 1 313.442 1.162 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000245740488 408057841 /nfs/dbraw/zinc/05/78/41/408057841.db2.gz LOUBQSOLUKDLEZ-CABCVRRESA-N 0 1 314.433 1.964 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1 ZINC000175394695 408118154 /nfs/dbraw/zinc/11/81/54/408118154.db2.gz VDUOKNRUGUQLTF-CYBMUJFWSA-N 0 1 300.399 1.931 10 0 DDAEMN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263372908 408121288 /nfs/dbraw/zinc/12/12/88/408121288.db2.gz VYEVWDHRKTZTLS-OJVARPOJSA-N 0 1 310.438 1.968 10 0 DDAEMN CCOC(=O)c1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)o1 ZINC000245719513 408054376 /nfs/dbraw/zinc/05/43/76/408054376.db2.gz HRKBAUJOBAEKBP-ZFWWWQNUSA-N 0 1 322.405 1.609 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)CSCC(F)(F)F)CCO2)n[nH]1 ZINC000120518104 408132218 /nfs/dbraw/zinc/13/22/18/408132218.db2.gz DSIPDOMNWTZDEZ-QMMMGPOBSA-N 0 1 324.328 1.309 10 0 DDAEMN CC[C@H]1[C@@H](C)CCN1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263467658 408149723 /nfs/dbraw/zinc/14/97/23/408149723.db2.gz KKSFFKUEEWBSMC-ABXWRUBCSA-N 0 1 311.426 1.754 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@@H]3CC=CCC3)CCO2)n[nH]1 ZINC000137599158 408159228 /nfs/dbraw/zinc/15/92/28/408159228.db2.gz ZUWHFJHTGAESNA-OLZOCXBDSA-N 0 1 319.409 1.806 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cc(OC)cc(OC)c2)C1 ZINC000263537241 408167034 /nfs/dbraw/zinc/16/70/34/408167034.db2.gz ZZIQASZYZSAKMM-UHFFFAOYSA-N 0 1 322.405 1.731 10 0 DDAEMN O=C(CN1CCN2CCCC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000246230297 408186097 /nfs/dbraw/zinc/18/60/97/408186097.db2.gz SCMNZGPANFXDFO-HNNXBMFYSA-N 0 1 322.453 1.315 10 0 DDAEMN COC(=O)c1cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)oc1C ZINC000246429024 408250948 /nfs/dbraw/zinc/25/09/48/408250948.db2.gz LDHFFIGZELFWEI-WBMJQRKESA-N 0 1 322.405 1.527 10 0 DDAEMN COCCCS(=O)(=O)NCCN[C@@H](C)c1ccc(C)o1 ZINC000182591789 408197995 /nfs/dbraw/zinc/19/79/95/408197995.db2.gz LTHMJTWWYGIOML-LBPRGKRZSA-N 0 1 304.412 1.195 10 0 DDAEMN C[C@@H]1CC[C@H](C(=O)Nc2cccc(CN3CCN(C)CC3)c2)O1 ZINC000150831060 408209634 /nfs/dbraw/zinc/20/96/34/408209634.db2.gz NENHARIPMOZZMB-RHSMWYFYSA-N 0 1 317.433 1.940 10 0 DDAEMN C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190606876 408288120 /nfs/dbraw/zinc/28/81/20/408288120.db2.gz KYBPIXYQDNIYCP-CQSZACIVSA-N 0 1 301.390 1.341 10 0 DDAEMN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2CC(=O)C2)C1 ZINC000190606876 408288125 /nfs/dbraw/zinc/28/81/25/408288125.db2.gz KYBPIXYQDNIYCP-CQSZACIVSA-N 0 1 301.390 1.341 10 0 DDAEMN Cc1cc(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)[nH]n1 ZINC000151342257 408299072 /nfs/dbraw/zinc/29/90/72/408299072.db2.gz ITVPOVBHFGGRLQ-NSHDSACASA-N 0 1 301.346 1.909 10 0 DDAEMN CCn1cnnc1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000136859696 162123502 /nfs/dbraw/zinc/12/35/02/162123502.db2.gz OPUUBYYCXUWUBJ-OAHLLOKOSA-N 0 1 319.453 1.736 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000171617569 162230448 /nfs/dbraw/zinc/23/04/48/162230448.db2.gz PYSLXTLFYRPHMD-GJZGRUSLSA-N 0 1 307.442 1.949 10 0 DDAEMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(c2nncn2CC)CC1 ZINC000171644363 162233249 /nfs/dbraw/zinc/23/32/49/162233249.db2.gz DIZZJEJQRKQPGH-STQMWFEESA-N 0 1 307.442 1.781 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3noc(C(C)(C)C)n3)CCO2)n[nH]1 ZINC000173660922 162353687 /nfs/dbraw/zinc/35/36/87/162353687.db2.gz ZWXPJMSVVCKTBB-SNVBAGLBSA-N 0 1 306.370 1.367 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)n[nH]1 ZINC000173755582 162362471 /nfs/dbraw/zinc/36/24/71/162362471.db2.gz HPTWIBRFADKXHC-AWEZNQCLSA-N 0 1 315.377 1.393 10 0 DDAEMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000174004827 162385307 /nfs/dbraw/zinc/38/53/07/162385307.db2.gz PGDIQIVZPCTSIQ-GWCFXTLKSA-N 0 1 314.455 1.044 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3nccn3-c3ccccc3)CCO2)n[nH]1 ZINC000191425833 408422621 /nfs/dbraw/zinc/42/26/21/408422621.db2.gz JFGXXQCXDHHRCE-HNNXBMFYSA-N 0 1 324.388 1.872 10 0 DDAEMN O=S(=O)(c1cccc(F)c1F)N1CCN2CCC[C@H]2C1 ZINC000247646582 408499564 /nfs/dbraw/zinc/49/95/64/408499564.db2.gz VHZOXUPZBIUYGS-JTQLQIEISA-N 0 1 302.346 1.434 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)[C@H](C)CC)CCO2)n[nH]1 ZINC000247423626 408467195 /nfs/dbraw/zinc/46/71/95/408467195.db2.gz ZFUWVZDLSOPLCZ-WOPDTQHZSA-N 0 1 309.414 1.885 10 0 DDAEMN CCCCOC[C@H](O)CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000248663565 408611796 /nfs/dbraw/zinc/61/17/96/408611796.db2.gz ZUEWMSCXPCXXLS-FXUDXRNXSA-N 0 1 301.427 1.432 10 0 DDAEMN CCC[C@@H](C(=O)NCC(=O)N1CCc2ccccc21)N(C)C ZINC000161928299 408652198 /nfs/dbraw/zinc/65/21/98/408652198.db2.gz KPVFGLBCNCRASZ-HNNXBMFYSA-N 0 1 303.406 1.422 10 0 DDAEMN CCn1ccnc1CN1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000184655042 408663861 /nfs/dbraw/zinc/66/38/61/408663861.db2.gz RKWZCJMOBFBJBS-UHFFFAOYSA-N 0 1 306.366 1.187 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H]2CC=CCC2)CCN1C[C@@H](C)O ZINC000184967782 408727966 /nfs/dbraw/zinc/72/79/66/408727966.db2.gz ZYJSEOBKPGNGJL-OWCLPIDISA-N 0 1 309.454 1.829 10 0 DDAEMN CC(C)CNC(=O)[C@H](C)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249541409 408738844 /nfs/dbraw/zinc/73/88/44/408738844.db2.gz FADRUSOMDRPIJB-NWANDNLSSA-N 0 1 310.463 1.917 10 0 DDAEMN CCCCc1nc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2[nH]1 ZINC000194829685 408800467 /nfs/dbraw/zinc/80/04/67/408800467.db2.gz HPMWFGQXKRXERV-JTQLQIEISA-N 0 1 300.362 1.980 10 0 DDAEMN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000249879278 408768724 /nfs/dbraw/zinc/76/87/24/408768724.db2.gz MUWXZTFQYUOBJO-HOTGVXAUSA-N 0 1 321.465 1.864 10 0 DDAEMN CCc1n[nH]c(C2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000190647289 163150953 /nfs/dbraw/zinc/15/09/53/163150953.db2.gz SDGPZOZUOBSDRJ-UHFFFAOYSA-N 0 1 304.402 1.314 10 0 DDAEMN CCc1nnc(C2CCN(Cc3nnnn3C(C)C)CC2)[nH]1 ZINC000190647289 163150956 /nfs/dbraw/zinc/15/09/56/163150956.db2.gz SDGPZOZUOBSDRJ-UHFFFAOYSA-N 0 1 304.402 1.314 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000192738765 163234933 /nfs/dbraw/zinc/23/49/33/163234933.db2.gz KEZUZJHDEQUAAJ-NSHDSACASA-N 0 1 324.450 1.806 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000262343460 163810232 /nfs/dbraw/zinc/81/02/32/163810232.db2.gz SYBXXVTVUUOLFD-AWEZNQCLSA-N 0 1 322.405 1.607 10 0 DDAEMN CCCN(C(=O)[C@H](N)COC)[C@H](C)C(=O)Nc1ccccc1 ZINC000262345593 163811301 /nfs/dbraw/zinc/81/13/01/163811301.db2.gz FXAMALXQUIPJPF-TZMCWYRMSA-N 0 1 307.394 1.226 10 0 DDAEMN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000344819270 409523129 /nfs/dbraw/zinc/52/31/29/409523129.db2.gz YVWAILXIPZNRDH-UONOGXRCSA-N 0 1 316.361 1.348 10 0 DDAEMN C[C@]1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCC[NH2+]C1 ZINC000129183853 196026804 /nfs/dbraw/zinc/02/68/04/196026804.db2.gz FAHIAPDMKJZPLW-ZDUSSCGKSA-N 0 1 322.352 1.772 10 0 DDAEMN C[NH2+][C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638514865 422937425 /nfs/dbraw/zinc/93/74/25/422937425.db2.gz XEGUWMXXBGCJOQ-NVXWUHKLSA-N 0 1 303.450 1.963 10 0 DDAEMN Cc1ncccc1CN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000299741738 229378155 /nfs/dbraw/zinc/37/81/55/229378155.db2.gz AKARFOMDFXUFGA-MRXNPFEDSA-N 0 1 303.406 1.242 10 0 DDAEMN Cc1ncccc1CN1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583617370 422203534 /nfs/dbraw/zinc/20/35/34/422203534.db2.gz BOASLRKGUJUNDJ-INIZCTEOSA-N 0 1 301.394 1.656 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2)[N@@H+]1Cc1ccccc1 ZINC000630649059 422239379 /nfs/dbraw/zinc/23/93/79/422239379.db2.gz HUUSSMFHNYTMIP-CABCVRRESA-N 0 1 302.374 1.727 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2)[N@H+]1Cc1ccccc1 ZINC000630649059 422239383 /nfs/dbraw/zinc/23/93/83/422239383.db2.gz HUUSSMFHNYTMIP-CABCVRRESA-N 0 1 302.374 1.727 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000248580699 278292660 /nfs/dbraw/zinc/29/26/60/278292660.db2.gz FIBGKOGCANPXAF-XFIYOXNOSA-N 0 1 311.470 1.908 10 0 DDAEMN CC(C)CC1(CNC(=O)[C@H](N)CCS(C)(=O)=O)CCCC1 ZINC000094876261 278745767 /nfs/dbraw/zinc/74/57/67/278745767.db2.gz SYRCNAAIAGUMPI-CYBMUJFWSA-N 0 1 318.483 1.471 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000173457705 288111912 /nfs/dbraw/zinc/11/19/12/288111912.db2.gz TTWKNWXKZKZUFW-HOTGVXAUSA-N 0 1 306.406 1.289 10 0 DDAEMN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN3CCCC[C@@H]3C1)CS2 ZINC000195068269 280176177 /nfs/dbraw/zinc/17/61/77/280176177.db2.gz AQQSERPWEVFKDK-IOASZLSFSA-N 0 1 323.462 1.137 10 0 DDAEMN Cc1cc(C(F)(F)F)nc(N2CCOC[C@H]2c2nnc[nH]2)n1 ZINC000376431291 302078860 /nfs/dbraw/zinc/07/88/60/302078860.db2.gz ZJKLNOIRPIRSID-QMMMGPOBSA-N 0 1 314.271 1.500 10 0 DDAEMN Cn1nnc2ccc(C(=O)N3CCC[C@H](c4nc[nH]n4)C3)cc21 ZINC000329417745 534351436 /nfs/dbraw/zinc/35/14/36/534351436.db2.gz GNNDAEBGTOBHAK-NSHDSACASA-N 0 1 311.349 1.106 10 0 DDAEMN CC(C)C[C@H](CN(C)C)NS(=O)(=O)C[C@H]1CCCCO1 ZINC000189139477 519342960 /nfs/dbraw/zinc/34/29/60/519342960.db2.gz AWTDPBPRBZAOJV-ZIAGYGMSSA-N 0 1 306.472 1.451 10 0 DDAEMN CC[C@@H]1CN(Cn2ccc(C(F)(F)F)n2)CCN1CCOC ZINC000117325113 696670698 /nfs/dbraw/zinc/67/06/98/696670698.db2.gz JDVUMDFAKFDFII-GFCCVEGCSA-N 0 1 320.359 1.902 10 0 DDAEMN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)O1 ZINC000123791608 696735152 /nfs/dbraw/zinc/73/51/52/696735152.db2.gz CXBCPQLATYPPAW-CJNGLKHVSA-N 0 1 303.406 1.944 10 0 DDAEMN CCOC(=O)N1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000220578446 697755442 /nfs/dbraw/zinc/75/54/42/697755442.db2.gz DNIUHQHGGKYPEL-LBPRGKRZSA-N 0 1 320.393 1.124 10 0 DDAEMN COC[C@@H](N)C(=O)NCCc1ccc(Br)cc1 ZINC000261553565 698427546 /nfs/dbraw/zinc/42/75/46/698427546.db2.gz OALXAZKJHFGCCD-LLVKDONJSA-N 0 1 301.184 1.082 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000262596367 698475865 /nfs/dbraw/zinc/47/58/65/698475865.db2.gz XCPINKXEEKMZTG-INIZCTEOSA-N 0 1 318.417 1.866 10 0 DDAEMN C[C@@H](Cc1ccccc1)CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263523673 698511379 /nfs/dbraw/zinc/51/13/79/698511379.db2.gz SGXCZWGZLSHPMK-DOTOQJQBSA-N 0 1 320.433 1.582 10 0 DDAEMN C[C@@H](NCC1CC(NC(=O)OC(C)(C)C)C1)c1nncn1C ZINC000711476313 699258110 /nfs/dbraw/zinc/25/81/10/699258110.db2.gz OHKZEGISLWQGME-VOMCLLRMSA-N 0 1 309.414 1.769 10 0 DDAEMN O=C(C(=O)N1CCC[C@@H]1c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000900390338 709570593 /nfs/dbraw/zinc/57/05/93/709570593.db2.gz BWKGXBCBLMIVLN-SNVBAGLBSA-N 0 1 305.725 1.400 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)Cc3cocn3)cc2)CC1 ZINC000074686874 185009469 /nfs/dbraw/zinc/00/94/69/185009469.db2.gz PZSOICIFUOUCLZ-UHFFFAOYSA-N 0 1 300.362 1.608 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1c(Cl)cccc1Cl ZINC000074731592 185014322 /nfs/dbraw/zinc/01/43/22/185014322.db2.gz XNARXBOAUBNXHR-UHFFFAOYSA-N 0 1 314.128 1.551 10 0 DDAEMN O=C(COc1ccc(Br)c(F)c1)N1CCNCC1 ZINC000087430685 185224571 /nfs/dbraw/zinc/22/45/71/185224571.db2.gz ZTFLEFRGIOJBRH-UHFFFAOYSA-N 0 1 317.158 1.399 10 0 DDAEMN O=S(=O)(NCCc1cnc[nH]1)c1ccccc1C(F)(F)F ZINC000087545377 185227910 /nfs/dbraw/zinc/22/79/10/185227910.db2.gz ASJRJVNPHPYPEX-UHFFFAOYSA-N 0 1 319.308 1.950 10 0 DDAEMN COC[C@@H](C)NC(=O)C[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087572253 185228304 /nfs/dbraw/zinc/22/83/04/185228304.db2.gz IDRQMFYGJVHPTJ-GFCCVEGCSA-N 0 1 300.399 1.247 10 0 DDAEMN CCCc1nsc(N2CCN(C(C)(C)C(N)=S)CC2)n1 ZINC000087639976 185229823 /nfs/dbraw/zinc/22/98/23/185229823.db2.gz UWJXNUNHBYCQMC-UHFFFAOYSA-N 0 1 313.496 1.677 10 0 DDAEMN C[C@]1(NCc2ccc3nc(N)sc3c2)CCS(=O)(=O)C1 ZINC000087848147 185233413 /nfs/dbraw/zinc/23/34/13/185233413.db2.gz OLGCKTZBVVBSPI-ZDUSSCGKSA-N 0 1 311.432 1.545 10 0 DDAEMN O=C1CNCCCN1CCOc1cccc(Br)c1 ZINC000087882231 185234391 /nfs/dbraw/zinc/23/43/91/185234391.db2.gz WHXCSMBXEWAGLY-UHFFFAOYSA-N 0 1 313.195 1.650 10 0 DDAEMN CC(C)C[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)CC(=O)[O-] ZINC000088274912 185244338 /nfs/dbraw/zinc/24/43/38/185244338.db2.gz PHTYCZSPDDMAPM-ZDUSSCGKSA-N 0 1 301.431 1.763 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)N(C)Cc1ccccc1F)C(C)C ZINC000183668864 539242874 /nfs/dbraw/zinc/24/28/74/539242874.db2.gz MIYPQWLRORDKKI-OAHLLOKOSA-N 0 1 309.385 1.144 10 0 DDAEMN CN[C@](CN1CCC(C(F)(F)F)CC1)(C(=O)OC)C1CC1 ZINC000088435457 185250570 /nfs/dbraw/zinc/25/05/70/185250570.db2.gz LEKOVXDRDUYLFQ-ZDUSSCGKSA-N 0 1 308.344 1.802 10 0 DDAEMN NS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H]2n2ccnc2)o1 ZINC000088539143 185255402 /nfs/dbraw/zinc/25/54/02/185255402.db2.gz RDJLYOCGMGMHMM-RYUDHWBXSA-N 0 1 310.379 1.007 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)o1 ZINC000088543955 185256695 /nfs/dbraw/zinc/25/66/95/185256695.db2.gz VHSQTPCNYLQKBH-UHFFFAOYSA-N 0 1 316.423 1.577 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)n[nH]1 ZINC000190048404 539254737 /nfs/dbraw/zinc/25/47/37/539254737.db2.gz MXGYUMRWLYBFHY-YPMHNXCESA-N 0 1 319.365 1.656 10 0 DDAEMN CN1C(=O)C[C@@H](NC[C@@H](O)c2cc(Cl)ccc2Cl)C1=O ZINC000088778014 185265456 /nfs/dbraw/zinc/26/54/56/185265456.db2.gz SJLYDMLSKPITIC-GHMZBOCLSA-N 0 1 317.172 1.374 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1ccc(C)c(CO)c1 ZINC000088895133 185270077 /nfs/dbraw/zinc/27/00/77/185270077.db2.gz LLQPNBIHWLZHIZ-UHFFFAOYSA-N 0 1 314.451 1.450 10 0 DDAEMN CC[C@H](NS(=O)(=O)c1c(C)[nH]nc1CO)c1nccs1 ZINC000088902577 185270459 /nfs/dbraw/zinc/27/04/59/185270459.db2.gz KVCFWLSWSKCCFS-QMMMGPOBSA-N 0 1 316.408 1.097 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H]1C ZINC000248654382 539272446 /nfs/dbraw/zinc/27/24/46/539272446.db2.gz VVUPQFQACVYLOT-OFQRWUPVSA-N 0 1 317.433 1.423 10 0 DDAEMN C[N@@H+](CCn1c2ccncc2nc1SCC(=O)[O-])C1CC1 ZINC000092514967 185323641 /nfs/dbraw/zinc/32/36/41/185323641.db2.gz XTNOVRVHRNUQEM-UHFFFAOYSA-N 0 1 306.391 1.702 10 0 DDAEMN CC(C)[N@@H+](C)CCn1c(SCC(=O)[O-])nc2cccnc21 ZINC000092532222 185324409 /nfs/dbraw/zinc/32/44/09/185324409.db2.gz KJJOZWLNIOVPDF-UHFFFAOYSA-N 0 1 308.407 1.948 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1c(N)cccc1F ZINC000092622074 185329879 /nfs/dbraw/zinc/32/98/79/185329879.db2.gz XCDAFASXZYBZMG-SNVBAGLBSA-N 0 1 301.387 1.123 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)ccc1N ZINC000092622789 185330088 /nfs/dbraw/zinc/33/00/88/185330088.db2.gz ZTBBOLYOUBRCOK-LBPRGKRZSA-N 0 1 315.414 1.513 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1F ZINC000092627826 185330508 /nfs/dbraw/zinc/33/05/08/185330508.db2.gz SYUAFPBBIFWPDD-GFCCVEGCSA-N 0 1 300.399 1.931 10 0 DDAEMN C[C@H]1c2ccsc2CCN1C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092780833 185340552 /nfs/dbraw/zinc/34/05/52/185340552.db2.gz VTURNMFDRWZNEY-JOYOIKCWSA-N 0 1 302.403 1.631 10 0 DDAEMN CC(C)COc1ccc([C@@H](C)NCC(=O)N2CCNC2=O)cc1 ZINC000181394796 199290455 /nfs/dbraw/zinc/29/04/55/199290455.db2.gz NXBOWYNNCMKCEG-CYBMUJFWSA-N 0 1 319.405 1.924 10 0 DDAEMN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000171956978 198015342 /nfs/dbraw/zinc/01/53/42/198015342.db2.gz FPDDDLKJIQQXMZ-LBPRGKRZSA-N 0 1 314.393 1.918 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2cc3ccccn3c2)CCN1C[C@@H](C)O ZINC000173361771 198206346 /nfs/dbraw/zinc/20/63/46/198206346.db2.gz DYTBIZRJULEWLY-GDBMZVCRSA-N 0 1 315.417 1.857 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccccc3OC)CCO2)n[nH]1 ZINC000173575339 198229305 /nfs/dbraw/zinc/22/93/05/198229305.db2.gz YMTQWNFQHCRPSG-CYBMUJFWSA-N 0 1 316.361 1.589 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(C)oc3C)CCO2)n[nH]1 ZINC000173558748 198226790 /nfs/dbraw/zinc/22/67/90/198226790.db2.gz ILDGRJUZOSVKGQ-LBPRGKRZSA-N 0 1 304.350 1.791 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3c[nH]nc3C)C2=O)n(C)n1 ZINC000173853415 198260883 /nfs/dbraw/zinc/26/08/83/198260883.db2.gz CSVWCOWMALNJBS-CYBMUJFWSA-N 0 1 302.382 1.045 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000174082359 198288925 /nfs/dbraw/zinc/28/89/25/198288925.db2.gz PNXHBSBJTPPCEA-QGZVFWFLSA-N 0 1 315.421 1.156 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000174091790 198289786 /nfs/dbraw/zinc/28/97/86/198289786.db2.gz ZUAHAQPPSAWJKB-OAHLLOKOSA-N 0 1 314.433 1.827 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCc2cccs2)CCN1C[C@@H](C)O ZINC000174620546 198360738 /nfs/dbraw/zinc/36/07/38/198360738.db2.gz LGMCBKXYKMOREU-ZIAGYGMSSA-N 0 1 310.463 1.984 10 0 DDAEMN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)[N@H+]2C ZINC000004214764 181085333 /nfs/dbraw/zinc/08/53/33/181085333.db2.gz ZPUCINDJVBIVPJ-GBJTYRQASA-N 0 1 303.358 1.868 10 0 in-man DDAEMN CC[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1C[C@H](C)O ZINC000246885058 354362353 /nfs/dbraw/zinc/36/23/53/354362353.db2.gz ORUJZWQPYDYNNN-WFASDCNBSA-N 0 1 322.453 1.263 10 0 DDAEMN CN(C)CCNS(=O)(=O)c1ccc(OC(C)(C)C)cc1 ZINC000074934888 191389587 /nfs/dbraw/zinc/38/95/87/191389587.db2.gz ZVSRZVLWTPXXAU-UHFFFAOYSA-N 0 1 300.424 1.704 10 0 DDAEMN COc1cc(C)c(Cl)cc1S(=O)(=O)NCCN(C)C ZINC000074935123 191389664 /nfs/dbraw/zinc/38/96/64/191389664.db2.gz GUSVTRYJDNZWPV-UHFFFAOYSA-N 0 1 306.815 1.497 10 0 DDAEMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cccnc3)ccc21 ZINC000074817331 191365676 /nfs/dbraw/zinc/36/56/76/191365676.db2.gz MYWQNVGCKUBZPM-UHFFFAOYSA-N 0 1 303.343 1.401 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@H](c2ccccc2C(F)(F)F)NC1 ZINC000080100919 192000455 /nfs/dbraw/zinc/00/04/55/192000455.db2.gz QUDIMBZVDIOUPK-LDYMZIIASA-N 0 1 308.325 1.787 10 0 DDAEMN CN(Cc1ccc(Br)cc1)C(=O)[C@@]1(N)CCOC1 ZINC000085875047 192538089 /nfs/dbraw/zinc/53/80/89/192538089.db2.gz XUHFMAWRBGQNEC-CYBMUJFWSA-N 0 1 313.195 1.525 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000180690261 199197425 /nfs/dbraw/zinc/19/74/25/199197425.db2.gz MZGKTQJETRDGIA-KBPBESRZSA-N 0 1 324.421 1.824 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(c2cc(OC)ccn2)CC1 ZINC000193378043 201040384 /nfs/dbraw/zinc/04/03/84/201040384.db2.gz CFBYVLOJFZQCAT-HNNXBMFYSA-N 0 1 323.437 1.390 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3c[nH]nc3C(C)C)CCO2)n[nH]1 ZINC000193645175 201093717 /nfs/dbraw/zinc/09/37/17/201093717.db2.gz FBSZVTKIWLDHRA-NSHDSACASA-N 0 1 318.381 1.427 10 0 DDAEMN [NH3+]CCc1nc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cs1 ZINC000194762322 201284152 /nfs/dbraw/zinc/28/41/52/201284152.db2.gz JHIGFTWUGNQTQU-UHFFFAOYSA-N 0 1 306.273 1.034 10 0 DDAEMN C[C@]1(C(=O)[O-])CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000263435220 291374941 /nfs/dbraw/zinc/37/49/41/291374941.db2.gz VBFJGUMXCPLIBE-ABAIWWIYSA-N 0 1 306.366 1.369 10 0 DDAEMN NC(=S)CN1CCN(C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092261118 193182300 /nfs/dbraw/zinc/18/23/00/193182300.db2.gz UQVQBBYYEGOKLE-ZDUSSCGKSA-N 0 1 307.488 1.607 10 0 DDAEMN CN[C@H](C(=O)N(C)c1ccc(OC)c(F)c1)c1cnn(C)c1 ZINC000262577871 203336253 /nfs/dbraw/zinc/33/62/53/203336253.db2.gz TZJXVIFBXBBVQS-AWEZNQCLSA-N 0 1 306.341 1.491 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598792 193272404 /nfs/dbraw/zinc/27/24/04/193272404.db2.gz JNGPEHKHRWLVOD-BXKDBHETSA-N 0 1 305.300 1.963 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000093778988 193305795 /nfs/dbraw/zinc/30/57/95/193305795.db2.gz BELGEBYPJJAZKD-SDBXPKJASA-N 0 1 307.379 1.258 10 0 DDAEMN Cc1cc(N)cc(C)c1S(=O)(=O)N[C@@H](C)CN1CCCC1 ZINC000093648594 193283225 /nfs/dbraw/zinc/28/32/25/193283225.db2.gz LGMDLYXEXRCBJJ-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)N[C@H](C)CN1CCCC1 ZINC000094360264 193364875 /nfs/dbraw/zinc/36/48/75/193364875.db2.gz AHUAACNOAIWRIT-SNVBAGLBSA-N 0 1 315.414 1.479 10 0 DDAEMN CC(C)(C)NCc1ncnn1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644065 193389383 /nfs/dbraw/zinc/38/93/83/193389383.db2.gz SHFCCXYRXKVXPL-NEPJUHHUSA-N 0 1 314.455 1.695 10 0 DDAEMN COCc1nc([C@@H]2CSCCO2)[nH]c(=O)c1Br ZINC000094500833 193374791 /nfs/dbraw/zinc/37/47/91/193374791.db2.gz WBTDVWQTPRBCJI-ZETCQYMHSA-N 0 1 321.196 1.896 10 0 DDAEMN COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000264976176 204316761 /nfs/dbraw/zinc/31/67/61/204316761.db2.gz IDWPRTGRAPYSJQ-KGLIPLIRSA-N 0 1 308.353 1.640 10 0 DDAEMN COC(=O)[C@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246634502 284301085 /nfs/dbraw/zinc/30/10/85/284301085.db2.gz DFEDASXILHJENI-DZKIICNBSA-N 0 1 306.406 1.288 10 0 DDAEMN C[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000020342483 182208987 /nfs/dbraw/zinc/20/89/87/182208987.db2.gz YNESFGHVEIDKND-UHFFFAOYSA-N 0 1 323.418 1.121 10 0 DDAEMN CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000040503104 183084155 /nfs/dbraw/zinc/08/41/55/183084155.db2.gz QFEPCIDJDRWQBS-SECBINFHSA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000040503104 183084156 /nfs/dbraw/zinc/08/41/56/183084156.db2.gz QFEPCIDJDRWQBS-SECBINFHSA-N 0 1 318.420 1.209 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000040503080 183084319 /nfs/dbraw/zinc/08/43/19/183084319.db2.gz MGEGZGLYERRJJG-GFCCVEGCSA-N 0 1 312.391 1.147 10 0 DDAEMN O=S(=O)(Nc1cccc(CO)c1)c1c[nH]c2ncccc12 ZINC000040503955 183084404 /nfs/dbraw/zinc/08/44/04/183084404.db2.gz YNQYRKTZMDKJMU-UHFFFAOYSA-N 0 1 303.343 1.856 10 0 DDAEMN C[C@@H]1CN(S(=O)(=O)c2ccc(CN)s2)CC(C)(C)O1 ZINC000041681908 183216772 /nfs/dbraw/zinc/21/67/72/183216772.db2.gz AZNCHHMQCNPLBI-SECBINFHSA-N 0 1 304.437 1.395 10 0 DDAEMN C[C@@H](Sc1nc2ccc(N)cc2[nH]1)C(=O)N1CCOCC1 ZINC000042142330 183234720 /nfs/dbraw/zinc/23/47/20/183234720.db2.gz BMWKIFNWRUAIBU-SECBINFHSA-N 0 1 306.391 1.485 10 0 DDAEMN O=C(CSc1ccc(Br)cc1)N1CCNCC1 ZINC000043403042 183358751 /nfs/dbraw/zinc/35/87/51/183358751.db2.gz VIYGLXYGLQOSJM-UHFFFAOYSA-N 0 1 315.236 1.973 10 0 DDAEMN O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@H]1CNCCO1 ZINC000043709400 183382626 /nfs/dbraw/zinc/38/26/26/183382626.db2.gz XPWVIYXKDADCJX-CYBMUJFWSA-N 0 1 306.753 1.453 10 0 DDAEMN COC[C@@H]1C[C@H](OC)CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000284548678 218072570 /nfs/dbraw/zinc/07/25/70/218072570.db2.gz GMSYZTOZKKAZEX-HOTGVXAUSA-N 0 1 306.406 1.624 10 0 DDAEMN Cc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1C(N)=O ZINC000105033760 194065941 /nfs/dbraw/zinc/06/59/41/194065941.db2.gz RRCWRSMEYNTBPJ-AWEZNQCLSA-N 0 1 316.405 1.796 10 0 DDAEMN CCN(CC)C(=O)CCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105145513 194079710 /nfs/dbraw/zinc/07/97/10/194079710.db2.gz AFQAKVYMFXBTFF-HNNXBMFYSA-N 0 1 324.469 1.515 10 0 DDAEMN CCCCNC(=O)NC(=O)CN1CCC(Cn2cccn2)CC1 ZINC000105886565 194156612 /nfs/dbraw/zinc/15/66/12/194156612.db2.gz ROWMZOWUYVAVBO-UHFFFAOYSA-N 0 1 321.425 1.221 10 0 DDAEMN FC(F)(F)COCCCN1CCO[C@H](Cn2cccn2)C1 ZINC000105890665 194158839 /nfs/dbraw/zinc/15/88/39/194158839.db2.gz GPDVOIHQZNYUPD-LBPRGKRZSA-N 0 1 307.316 1.553 10 0 DDAEMN CO[C@H]1C[C@@H](CO)N(Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000339082775 250284755 /nfs/dbraw/zinc/28/47/55/250284755.db2.gz WWHMKNKTJSQUER-IRXDYDNUSA-N 0 1 320.433 1.654 10 0 DDAEMN COCc1ccccc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000285088082 218285675 /nfs/dbraw/zinc/28/56/75/218285675.db2.gz DKXHQECFDSVLMT-CVEARBPZSA-N 0 1 304.390 1.378 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000109466612 194266488 /nfs/dbraw/zinc/26/64/88/194266488.db2.gz FYAXIMSITZZVRL-LLVKDONJSA-N 0 1 300.472 1.567 10 0 DDAEMN C[C@H]1CN(c2ncc(Br)cc2CO)CCN1C ZINC000110733152 194355039 /nfs/dbraw/zinc/35/50/39/194355039.db2.gz PNGRAGWVJTWESR-VIFPVBQESA-N 0 1 300.200 1.477 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(C(N)=S)cc2)CCN1C ZINC000110753216 194356337 /nfs/dbraw/zinc/35/63/37/194356337.db2.gz PVJUOXFISWBBDG-AWEZNQCLSA-N 0 1 305.447 1.416 10 0 DDAEMN CC(C)(C)[C@@H]1CC[C@H](O)[C@H](N2CCN(S(C)(=O)=O)CC2)C1 ZINC000062085853 184204875 /nfs/dbraw/zinc/20/48/75/184204875.db2.gz GDYPPFASIYCZHA-MCIONIFRSA-N 0 1 318.483 1.139 10 0 DDAEMN O=C([O-])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000062133811 184208455 /nfs/dbraw/zinc/20/84/55/184208455.db2.gz XZISVMRTSVCNQZ-SSDOTTSWSA-N 0 1 302.252 1.449 10 0 DDAEMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000062133811 184208456 /nfs/dbraw/zinc/20/84/56/184208456.db2.gz XZISVMRTSVCNQZ-SSDOTTSWSA-N 0 1 302.252 1.449 10 0 DDAEMN CCCNc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000062984581 184264691 /nfs/dbraw/zinc/26/46/91/184264691.db2.gz XYOYZDAITBIDSY-CQSZACIVSA-N 0 1 311.451 1.833 10 0 DDAEMN CNc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000062984647 184264935 /nfs/dbraw/zinc/26/49/35/184264935.db2.gz KUHLMQMAXNFJRY-CQSZACIVSA-N 0 1 309.435 1.587 10 0 DDAEMN O=C1C[C@H](NCCc2nccs2)C(=O)N1c1ccccc1 ZINC000063134096 184272930 /nfs/dbraw/zinc/27/29/30/184272930.db2.gz WSGFFXIISOOPHG-LBPRGKRZSA-N 0 1 301.371 1.607 10 0 DDAEMN Cc1cc(F)cc(C)c1S(=O)(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262739226 291914471 /nfs/dbraw/zinc/91/44/71/291914471.db2.gz BGLNBKUMURYSBP-RYUDHWBXSA-N 0 1 300.399 1.813 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000120680575 195216075 /nfs/dbraw/zinc/21/60/75/195216075.db2.gz IPKIGMBRBVEKTM-NWDGAFQWSA-N 0 1 312.360 1.421 10 0 DDAEMN COCCN1CCN(Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC000120831150 195246112 /nfs/dbraw/zinc/24/61/12/195246112.db2.gz ALXZTKOWQUMIBG-AWEZNQCLSA-N 0 1 308.422 1.856 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccco2)C1)N1CCCCO1 ZINC000247796854 257117139 /nfs/dbraw/zinc/11/71/39/257117139.db2.gz RZSYRWPLFGBLIB-KBMXLJTQSA-N 0 1 320.389 1.813 10 0 DDAEMN O=C1NCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000050394846 407130396 /nfs/dbraw/zinc/13/03/96/407130396.db2.gz FVYQNYKDWYDCCX-GFCCVEGCSA-N 0 1 310.781 1.870 10 0 DDAEMN Cn1ccnc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269376 407257923 /nfs/dbraw/zinc/25/79/23/407257923.db2.gz JZYRZFUOSGDSKM-HNNXBMFYSA-N 0 1 323.400 1.972 10 0 DDAEMN COc1c(CN(C)CC(C)(C)CN2CCOCC2)c(C)nn1C ZINC000093769663 407201785 /nfs/dbraw/zinc/20/17/85/407201785.db2.gz VPNZEMCCBJRJMM-UHFFFAOYSA-N 0 1 324.469 1.527 10 0 DDAEMN Cc1cc(C)c([C@H]2NCCc3nc[nH]c32)cc1Cn1cncn1 ZINC000067948051 407291901 /nfs/dbraw/zinc/29/19/01/407291901.db2.gz SKLGGRGBKQVYRD-MRXNPFEDSA-N 0 1 308.389 1.901 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c1 ZINC000124029543 407346451 /nfs/dbraw/zinc/34/64/51/407346451.db2.gz WHTUPFRBFZFSEK-NHYWBVRUSA-N 0 1 310.419 1.460 10 0 DDAEMN CCOCCN1CCN([C@H](C(N)=O)c2ccccc2)C[C@@H]1CC ZINC000105838065 407355797 /nfs/dbraw/zinc/35/57/97/407355797.db2.gz ZEPVFJOCBYSCHS-IRXDYDNUSA-N 0 1 319.449 1.646 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000113367287 407497039 /nfs/dbraw/zinc/49/70/39/407497039.db2.gz UYVNBUUDKYVUGD-NWDGAFQWSA-N 0 1 312.373 1.232 10 0 DDAEMN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113367287 407497044 /nfs/dbraw/zinc/49/70/44/407497044.db2.gz UYVNBUUDKYVUGD-NWDGAFQWSA-N 0 1 312.373 1.232 10 0 DDAEMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000113367287 407497047 /nfs/dbraw/zinc/49/70/47/407497047.db2.gz UYVNBUUDKYVUGD-NWDGAFQWSA-N 0 1 312.373 1.232 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cccc2F)C1 ZINC000185585590 407457206 /nfs/dbraw/zinc/45/72/06/407457206.db2.gz AFYGNWDWANVYSC-GFCCVEGCSA-N 0 1 307.369 1.673 10 0 DDAEMN CN(C)/C=C/c1c(Br)cn(C)c(=O)c1[N+](=O)[O-] ZINC000221439605 407547846 /nfs/dbraw/zinc/54/78/46/407547846.db2.gz CDTINYCYBWXTJZ-SNAWJCMRSA-N 0 1 302.128 1.588 10 0 DDAEMN COCC1=CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000186194490 407601506 /nfs/dbraw/zinc/60/15/06/407601506.db2.gz YLRJJUPPDMOYGR-KRWDZBQOSA-N 0 1 302.418 1.964 10 0 DDAEMN CC1CCC(N2CCN(C(=O)[C@H]([NH3+])C3CCOCC3)CC2)CC1 ZINC000261723420 407593035 /nfs/dbraw/zinc/59/30/35/407593035.db2.gz CMTQSSRTYKIFON-BDVYOWHSSA-N 0 1 323.481 1.463 10 0 DDAEMN CCOCC[NH+]1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@@H]1CC ZINC000152720020 407675516 /nfs/dbraw/zinc/67/55/16/407675516.db2.gz CTEFIHCDXZMJED-HNNXBMFYSA-N 0 1 311.470 1.430 10 0 DDAEMN CCCN1c2ccc(NC(=O)[C@@H](N)COC)cc2CCC1=O ZINC000262077600 407732253 /nfs/dbraw/zinc/73/22/53/407732253.db2.gz QAJFMLFYWCKXJK-ZDUSSCGKSA-N 0 1 305.378 1.288 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000262234730 407773776 /nfs/dbraw/zinc/77/37/76/407773776.db2.gz HGCXVGRSQLXJDH-XQQFMLRXSA-N 0 1 307.394 1.212 10 0 DDAEMN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C[C@@H]1COCCN1 ZINC000262277168 407781713 /nfs/dbraw/zinc/78/17/13/407781713.db2.gz WPUPWUBUGUSVLA-HZPDHXFCSA-N 0 1 318.417 1.744 10 0 DDAEMN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](N)COC)c1 ZINC000262300307 407788673 /nfs/dbraw/zinc/78/86/73/407788673.db2.gz NTWYPFNNESOOTA-BXUZGUMPSA-N 0 1 307.394 1.261 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000262379931 407816166 /nfs/dbraw/zinc/81/61/66/407816166.db2.gz XRGLMRIRBRUETF-DGCLKSJQSA-N 0 1 311.357 1.329 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cccc4c3OCO4)CCO2)n[nH]1 ZINC000180108195 407856588 /nfs/dbraw/zinc/85/65/88/407856588.db2.gz KLYCKUBIDXJSJS-CYBMUJFWSA-N 0 1 302.334 1.415 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cn(C)nc3C(C)(C)C)CCO2)n[nH]1 ZINC000180612896 407903183 /nfs/dbraw/zinc/90/31/83/407903183.db2.gz YAXOVQNCRYMYGL-ZDUSSCGKSA-N 0 1 318.425 1.718 10 0 DDAEMN Cc1cnn([C@H]2CCC[N@@H+](CCCNC(=O)C(F)(F)F)C2)c1 ZINC000180622615 407903644 /nfs/dbraw/zinc/90/36/44/407903644.db2.gz IJIJZNOTNBCAKY-LBPRGKRZSA-N 0 1 318.343 1.897 10 0 DDAEMN Cc1cnn([C@H]2CCC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)c1 ZINC000180622615 407903651 /nfs/dbraw/zinc/90/36/51/407903651.db2.gz IJIJZNOTNBCAKY-LBPRGKRZSA-N 0 1 318.343 1.897 10 0 DDAEMN Cc1cnn([C@H]2CCC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C2)c1 ZINC000180622615 407903657 /nfs/dbraw/zinc/90/36/57/407903657.db2.gz IJIJZNOTNBCAKY-LBPRGKRZSA-N 0 1 318.343 1.897 10 0 DDAEMN Cc1cccc(C)c1CN1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262929928 407975282 /nfs/dbraw/zinc/97/52/82/407975282.db2.gz SPYLLMXMPTXTDD-OAHLLOKOSA-N 0 1 306.406 1.521 10 0 DDAEMN C[C@H]1NCCN(S(=O)(=O)c2c(F)cc(F)cc2F)[C@H]1C ZINC000262807427 407939512 /nfs/dbraw/zinc/93/95/12/407939512.db2.gz XFKSYWDRIVFODA-SFYZADRCSA-N 0 1 308.325 1.475 10 0 DDAEMN O=C(c1cnc([C@@H]2CCCO2)s1)N1CCN2CCC[C@H]2C1 ZINC000245543785 408013303 /nfs/dbraw/zinc/01/33/03/408013303.db2.gz AQEYDXYDYCAQGS-RYUDHWBXSA-N 0 1 307.419 1.915 10 0 DDAEMN CC[C@H]1CN(c2ncnc(Cl)c2NC)CCN1CCOC ZINC000136041988 408068974 /nfs/dbraw/zinc/06/89/74/408068974.db2.gz OOBRLPIFIMPASI-NSHDSACASA-N 0 1 313.833 1.719 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)NCc2cccc(F)c2)C[C@H]1C ZINC000245854581 408078768 /nfs/dbraw/zinc/07/87/68/408078768.db2.gz GZUKLQSGVGBLRT-OLZOCXBDSA-N 0 1 309.385 1.422 10 0 DDAEMN CCOc1ccc([C@H](C)NC(=O)[C@H](N)COC)cc1OCC ZINC000263264224 408081699 /nfs/dbraw/zinc/08/16/99/408081699.db2.gz UOCAKVCZWDNSEV-WCQYABFASA-N 0 1 310.394 1.635 10 0 DDAEMN CN1CCO[C@@H](C[N@H+](Cc2ccc(C(=O)[O-])cc2)CC2CC2)C1 ZINC000263386254 408125385 /nfs/dbraw/zinc/12/53/85/408125385.db2.gz CVUWEMQRRPYOGP-QGZVFWFLSA-N 0 1 318.417 1.927 10 0 DDAEMN CC1CCN(CC(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000136759946 408121873 /nfs/dbraw/zinc/12/18/73/408121873.db2.gz FEYQMGOYKQQRFF-UHFFFAOYSA-N 0 1 317.437 1.247 10 0 DDAEMN CCCCOCCNC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000175458282 408137437 /nfs/dbraw/zinc/13/74/37/408137437.db2.gz MBKRVHQHXSRKKJ-LBPRGKRZSA-N 0 1 311.386 1.013 10 0 DDAEMN Cc1noc([C@H]2COCCN2C(=O)CN2CCC(C)CC2)n1 ZINC000155379213 408158898 /nfs/dbraw/zinc/15/88/98/408158898.db2.gz IDECNSGHKYTMSX-CYBMUJFWSA-N 0 1 308.382 1.010 10 0 DDAEMN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCN2CCCC[C@H]2C1 ZINC000182444602 408161475 /nfs/dbraw/zinc/16/14/75/408161475.db2.gz IMDSMGOBLSKVMA-HNNXBMFYSA-N 0 1 313.401 1.420 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCN1C[C@@H](C)O ZINC000182737530 408236876 /nfs/dbraw/zinc/23/68/76/408236876.db2.gz PUQGYIBGUUHEPA-TZMCWYRMSA-N 0 1 316.405 1.480 10 0 DDAEMN C[C@H](COCc1ccccc1)NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000183123407 408330682 /nfs/dbraw/zinc/33/06/82/408330682.db2.gz UDHMWRCANKHKPG-VXGBXAGGSA-N 0 1 303.366 1.770 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000131543095 162017948 /nfs/dbraw/zinc/01/79/48/162017948.db2.gz FNOPTIGGHUZZKX-VIFPVBQESA-N 0 1 306.790 1.804 10 0 DDAEMN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)COC(C)(C)C)[C@@H]2C1 ZINC000246813720 408344417 /nfs/dbraw/zinc/34/44/17/408344417.db2.gz PXHGSMBDBUSTBW-YJNKXOJESA-N 0 1 301.427 1.431 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CCCCSC)CCO2)n[nH]1 ZINC000173580499 162349976 /nfs/dbraw/zinc/34/99/76/162349976.db2.gz YNHMJUBYEPSDFR-LLVKDONJSA-N 0 1 312.439 1.800 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3ccn(-c4ccccc4)n3)CCO2)n[nH]1 ZINC000173658695 162353677 /nfs/dbraw/zinc/35/36/77/162353677.db2.gz UBVSUWJHNZSHFG-INIZCTEOSA-N 0 1 324.388 1.872 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)n[nH]1 ZINC000173672946 162356365 /nfs/dbraw/zinc/35/63/65/162356365.db2.gz QEMMYZDYCYRBMI-LLVKDONJSA-N 0 1 316.321 1.330 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2cccc(C)c2)CCN1C[C@H](C)O ZINC000246953443 408372127 /nfs/dbraw/zinc/37/21/27/408372127.db2.gz SHFCVRLNGGDCHY-RDJZCZTQSA-N 0 1 304.434 1.841 10 0 DDAEMN C[C@H](O)CN1CCN(CC(=O)NCCC2=CCCCC2)C[C@H]1C ZINC000247370453 408458324 /nfs/dbraw/zinc/45/83/24/408458324.db2.gz UOODEXFCROMQQY-CVEARBPZSA-N 0 1 323.481 1.380 10 0 DDAEMN O=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1ccon1 ZINC000183552680 408438389 /nfs/dbraw/zinc/43/83/89/408438389.db2.gz UMHWFRBBHNAZTC-AWEZNQCLSA-N 0 1 316.361 1.215 10 0 DDAEMN CCc1nnc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000176958121 408483839 /nfs/dbraw/zinc/48/38/39/408483839.db2.gz FBDYCZHSMYAVLN-MRVPVSSYSA-N 0 1 323.382 1.132 10 0 DDAEMN CCC[C@@H](C(=O)Nc1nc(CC(=O)OCC)cs1)N(C)C ZINC000161670763 408626960 /nfs/dbraw/zinc/62/69/60/408626960.db2.gz BHEIDEPXMKVOFU-NSHDSACASA-N 0 1 313.423 1.918 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)n[nH]1 ZINC000161907696 408651035 /nfs/dbraw/zinc/65/10/35/408651035.db2.gz JLHRHXFXCQBJEX-MLGOLLRUSA-N 0 1 322.453 1.952 10 0 DDAEMN CC(C)N1CCC[C@@H](N2CCCN(c3cccnn3)CC2)C1=O ZINC000177708280 408691913 /nfs/dbraw/zinc/69/19/13/408691913.db2.gz JIBFHGMRIKBRDL-OAHLLOKOSA-N 0 1 317.437 1.388 10 0 DDAEMN Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327724 408804617 /nfs/dbraw/zinc/80/46/17/408804617.db2.gz VEWGLZXFQRUJOJ-OAHLLOKOSA-N 0 1 316.405 1.908 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000195054557 408810098 /nfs/dbraw/zinc/81/00/98/408810098.db2.gz ZPSVDEKGAZRFNY-LBPRGKRZSA-N 0 1 314.430 1.295 10 0 DDAEMN CN(C)[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000253359255 408813840 /nfs/dbraw/zinc/81/38/40/408813840.db2.gz KOQVSGPBWDHGQF-DLBZAZTESA-N 0 1 301.434 1.986 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(SC)c2)C1 ZINC000194148015 408769250 /nfs/dbraw/zinc/76/92/50/408769250.db2.gz NBEUUNZAUHUVEC-ZDUSSCGKSA-N 0 1 321.446 1.948 10 0 DDAEMN C[C@H](CN1C[C@H](CO)[C@H](c2ccsc2)C1)CS(C)(=O)=O ZINC000188116570 163041184 /nfs/dbraw/zinc/04/11/84/163041184.db2.gz VJCVVZDXJCRILT-BNOWGMLFSA-N 0 1 317.476 1.437 10 0 DDAEMN CCOCCN1CCN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1CC ZINC000191337592 163182650 /nfs/dbraw/zinc/18/26/50/163182650.db2.gz BJJGBJBCRWOZLT-INIZCTEOSA-N 0 1 323.485 1.966 10 0 DDAEMN O=C(Cc1ccccc1)NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195088858 163306427 /nfs/dbraw/zinc/30/64/27/163306427.db2.gz KZWPUGGFCXRDTB-INIZCTEOSA-N 0 1 315.417 1.042 10 0 DDAEMN Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cncnc2)CCCN1C ZINC000284893659 409367442 /nfs/dbraw/zinc/36/74/42/409367442.db2.gz RIVAJFKTEQIONG-DOTOQJQBSA-N 0 1 314.437 1.725 10 0 DDAEMN CN(Cc1cncnc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328648468 409944964 /nfs/dbraw/zinc/94/49/64/409944964.db2.gz UPKJEZNPFQIKNE-KBPBESRZSA-N 0 1 321.425 1.978 10 0 DDAEMN CC[C@@H]1CN([C@@H]2CCCN(C(C)C)C2=O)CCN1C[C@@H](C)O ZINC000177709694 287208067 /nfs/dbraw/zinc/20/80/67/287208067.db2.gz XZJBLUSGQWLAPB-BZUAXINKSA-N 0 1 311.470 1.163 10 0 DDAEMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCO[C@@H](c2ccco2)C1 ZINC000375091738 418602883 /nfs/dbraw/zinc/60/28/83/418602883.db2.gz UMXZNZAYKVYBJK-QMTHXVAHSA-N 0 1 302.334 1.103 10 0 DDAEMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCO[C@@H](c2ccco2)C1 ZINC000375091738 418602885 /nfs/dbraw/zinc/60/28/85/418602885.db2.gz UMXZNZAYKVYBJK-QMTHXVAHSA-N 0 1 302.334 1.103 10 0 DDAEMN CCCN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653435 422243114 /nfs/dbraw/zinc/24/31/14/422243114.db2.gz DCNIAEUWQHEKJM-HUUCEWRRSA-N 0 1 304.390 1.973 10 0 DDAEMN CCCN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653435 422243121 /nfs/dbraw/zinc/24/31/21/422243121.db2.gz DCNIAEUWQHEKJM-HUUCEWRRSA-N 0 1 304.390 1.973 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000263205305 276087169 /nfs/dbraw/zinc/08/71/69/276087169.db2.gz VVRMKPLFVXWHPG-UHFFFAOYSA-N 0 1 315.373 1.835 10 0 DDAEMN CCCn1nc(C)c(CN2CCN(C[C@@H](O)CC)CC2)c1C ZINC000123476253 276297623 /nfs/dbraw/zinc/29/76/23/276297623.db2.gz YKOMZCAOMAEGOJ-INIZCTEOSA-N 0 1 308.470 1.798 10 0 DDAEMN CC(=O)N1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)[O-])C[C@@H]1CCC[N@H+]12 ZINC000101284545 278077833 /nfs/dbraw/zinc/07/78/33/278077833.db2.gz AIFOAGOOAFZRLZ-PPHDSNJXSA-N 0 1 314.341 1.344 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000492521054 280202828 /nfs/dbraw/zinc/20/28/28/280202828.db2.gz LAGWKPFQNBHPFJ-GTBONMDNSA-N 0 1 304.390 1.321 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C(=O)OC)c2ccccc2F)CC1 ZINC000173452231 280999917 /nfs/dbraw/zinc/99/99/17/280999917.db2.gz RIRRVJJERLGJLE-BBRMVZONSA-N 0 1 324.396 1.428 10 0 DDAEMN COCCN1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C[C@@H]1C ZINC000247560425 282060673 /nfs/dbraw/zinc/06/06/73/282060673.db2.gz RSRHWTIQJHWRDE-OCCSQVGLSA-N 0 1 323.441 1.011 10 0 DDAEMN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000170873611 298223494 /nfs/dbraw/zinc/22/34/94/298223494.db2.gz CMRXOKKUZQGJEZ-LLVKDONJSA-N 0 1 302.827 1.973 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C)n2CC)C[C@@H]1CC ZINC000171574639 298233761 /nfs/dbraw/zinc/23/37/61/298233761.db2.gz GLOOIGNUZGRGCM-HNNXBMFYSA-N 0 1 309.458 1.539 10 0 DDAEMN CCOCCN1CCN(c2ncnc3onc(C)c32)C[C@H]1C ZINC000249290302 484239574 /nfs/dbraw/zinc/23/95/74/484239574.db2.gz PNRYWVWCNZMXJY-LLVKDONJSA-N 0 1 305.382 1.473 10 0 DDAEMN CO[C@H]1C=C[C@@]23c4cc5c(cc4C[N@H+](C[C@@H]2O)[C@H]3C1)OCO5 ZINC000004097647 560123198 /nfs/dbraw/zinc/12/31/98/560123198.db2.gz YGPRSGKVLATIHT-SPOWBLRKSA-N 0 1 301.342 1.187 10 0 biogenic,in-vitro DDAEMN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178964591 697431750 /nfs/dbraw/zinc/43/17/50/697431750.db2.gz BNSAEFFTXKRQFS-YUMQZZPRSA-N 0 1 324.233 1.794 10 0 DDAEMN COCCC[N@@H+](C)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000173430827 697378400 /nfs/dbraw/zinc/37/84/00/697378400.db2.gz WGWILCQDKWQCEZ-NTEUORMPSA-N 0 1 312.435 1.545 10 0 DDAEMN COCCCN(C)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000173430827 697378401 /nfs/dbraw/zinc/37/84/01/697378401.db2.gz WGWILCQDKWQCEZ-NTEUORMPSA-N 0 1 312.435 1.545 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188412713 697558978 /nfs/dbraw/zinc/55/89/78/697558978.db2.gz KEBNPTNDWJYRGY-ZDUSSCGKSA-N 0 1 314.393 1.382 10 0 DDAEMN CCOC(=O)N1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000220578390 697755340 /nfs/dbraw/zinc/75/53/40/697755340.db2.gz DNIUHQHGGKYPEL-GFCCVEGCSA-N 0 1 320.393 1.124 10 0 DDAEMN CCOCCOc1ccc(Cl)cc1NC(=O)[C@H](N)COC ZINC000262249513 698461372 /nfs/dbraw/zinc/46/13/72/698461372.db2.gz SKHMWJZZOXNBCU-LLVKDONJSA-N 0 1 316.785 1.668 10 0 DDAEMN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](N)COC)cs1 ZINC000262307028 698463727 /nfs/dbraw/zinc/46/37/27/698463727.db2.gz OOCVTJFHUDQJIU-GXSJLCMTSA-N 0 1 301.412 1.173 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccccc2C)C1 ZINC000262945378 698485089 /nfs/dbraw/zinc/48/50/89/698485089.db2.gz HSWWQUGPDZPHSA-UHFFFAOYSA-N 0 1 319.405 1.732 10 0 DDAEMN CCOC(=O)c1ccc(NC2CC([N@@H+](CC)CC(=O)[O-])C2)nc1 ZINC000263568422 698514467 /nfs/dbraw/zinc/51/44/67/698514467.db2.gz YMVILYWJHATBBR-UHFFFAOYSA-N 0 1 321.377 1.608 10 0 DDAEMN C[C@H](O)[C@H](C)NCc1ncc(I)s1 ZINC000336657003 698769364 /nfs/dbraw/zinc/76/93/64/698769364.db2.gz QQUATRDHYRBNCK-WDSKDSINSA-N 0 1 312.176 1.607 10 0 DDAEMN NCc1nc2c(s1)CCN(c1nnc(C(F)F)s1)C2 ZINC000710292098 699254027 /nfs/dbraw/zinc/25/40/27/699254027.db2.gz MDHSLFDVDDLWHU-UHFFFAOYSA-N 0 1 303.363 1.954 10 0 DDAEMN O=C(c1ncccc1Br)N1CCC[C@H]1c1nn[nH]n1 ZINC000720643667 699307380 /nfs/dbraw/zinc/30/73/80/699307380.db2.gz WPFQUVOTJOZOSG-QMMMGPOBSA-N 0 1 323.154 1.335 10 0 DDAEMN Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2cnccc2C)n[nH]1 ZINC000888093805 709211075 /nfs/dbraw/zinc/21/10/75/709211075.db2.gz ULBVOFYKROIJDK-AAEUAGOBSA-N 0 1 301.350 1.324 10 0 DDAEMN CO[C@@H]1CN(Cc2nc(C(C)C)ns2)C[C@H]1c1cn[nH]n1 ZINC000930779532 713918767 /nfs/dbraw/zinc/91/87/67/713918767.db2.gz MFTJFDSYVWTRPB-GXSJLCMTSA-N 0 1 308.411 1.394 10 0 DDAEMN CC[C@@H]1CN(C(=O)CCCOC(C)C)CCN1C[C@H](C)O ZINC000248454332 282084398 /nfs/dbraw/zinc/08/43/98/282084398.db2.gz LTPSTUNJZOGNDL-LSDHHAIUSA-N 0 1 300.443 1.495 10 0 DDAEMN CN[C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CCOC ZINC000081943185 192344183 /nfs/dbraw/zinc/34/41/83/192344183.db2.gz VDBLEUVBOUSBNI-CABCVRRESA-N 0 1 313.419 1.332 10 0 DDAEMN CN[C@@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944931 192345326 /nfs/dbraw/zinc/34/53/26/192345326.db2.gz OMZBAUSXXXAAKM-SMDDNHRTSA-N 0 1 301.408 1.405 10 0 DDAEMN O=C1CC[C@H](CNCc2ccc(F)cc2Br)N1 ZINC000079930845 539164256 /nfs/dbraw/zinc/16/42/56/539164256.db2.gz NZLYJVDDLLMTDL-SNVBAGLBSA-N 0 1 301.159 1.956 10 0 DDAEMN COC1CCN(S(=O)(=O)c2ccc(CNC(C)C)o2)CC1 ZINC000088543766 185256687 /nfs/dbraw/zinc/25/66/87/185256687.db2.gz AMNYXELCZIOHHE-UHFFFAOYSA-N 0 1 316.423 1.577 10 0 DDAEMN CCN[C@H]1c2ccccc2C[C@H]1S(=O)(=O)CC(=O)OCC ZINC000081978029 192349007 /nfs/dbraw/zinc/34/90/07/192349007.db2.gz PFNMAQRYAMYXNL-HIFRSBDPSA-N 0 1 311.403 1.240 10 0 DDAEMN CCN(CC)C(=O)CCC[N@@H+](CC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090474062 185298424 /nfs/dbraw/zinc/29/84/24/185298424.db2.gz KYBKGTBDLFZAQJ-QWHCGFSZSA-N 0 1 300.399 1.057 10 0 DDAEMN O=C(c1cc2c(cccc2Br)[nH]1)N1CCNCC1 ZINC000181338898 199282367 /nfs/dbraw/zinc/28/23/67/199282367.db2.gz JOFLDOGIFCCZGD-UHFFFAOYSA-N 0 1 308.179 1.976 10 0 DDAEMN COCCNCC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000092495361 185322403 /nfs/dbraw/zinc/32/24/03/185322403.db2.gz PIISTRXJTSOXMA-UHFFFAOYSA-N 0 1 300.742 1.301 10 0 DDAEMN CCOC(=O)c1cc(C)sc1NC(=O)CNCCOC ZINC000092510189 185323326 /nfs/dbraw/zinc/32/33/26/185323326.db2.gz IFCBSTYZKQOIAE-UHFFFAOYSA-N 0 1 300.380 1.408 10 0 DDAEMN CCNc1ccc(S(=O)(=O)N(C)C[C@H]2CCCN2C)cn1 ZINC000092671405 185332878 /nfs/dbraw/zinc/33/28/78/185332878.db2.gz XZSMGFKOPUHXDN-GFCCVEGCSA-N 0 1 312.439 1.228 10 0 DDAEMN CCN[C@@H]1C(=O)Nc2cc(-n3cncn3)c(Br)cc21 ZINC000092776115 185339793 /nfs/dbraw/zinc/33/97/93/185339793.db2.gz OOAYQHLSQLDAEF-NSHDSACASA-N 0 1 322.166 1.633 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000255437468 282257702 /nfs/dbraw/zinc/25/77/02/282257702.db2.gz PFSWAAFQBFYDJO-GXMNPTEKSA-N 0 1 316.336 1.866 10 0 DDAEMN CN(C[C@@H]1CCCN1c1cccnn1)c1ccncc1C(N)=O ZINC000302023534 529949682 /nfs/dbraw/zinc/94/96/82/529949682.db2.gz JMBBFXHTHJVLIO-LBPRGKRZSA-N 0 1 312.377 1.076 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCC[C@@H](c2nc[nH]n2)C1 ZINC000616631243 362762320 /nfs/dbraw/zinc/76/23/20/362762320.db2.gz UIEKXESOYUIGAB-GFCCVEGCSA-N 0 1 306.391 1.763 10 0 DDAEMN CO[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1CN ZINC000070394872 190885536 /nfs/dbraw/zinc/88/55/36/190885536.db2.gz MOOMESBXRAUZJV-RYUDHWBXSA-N 0 1 302.371 1.130 10 0 DDAEMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC000139458499 186022400 /nfs/dbraw/zinc/02/24/00/186022400.db2.gz UYDXREHBQXMXQS-HNNXBMFYSA-N 0 1 316.409 1.714 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000173675885 198239094 /nfs/dbraw/zinc/23/90/94/198239094.db2.gz MMCAUZWBKDZAOD-CRAIPNDOSA-N 0 1 316.401 1.776 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2ccc(C)cc2)C[C@H]1C ZINC000105833235 353936562 /nfs/dbraw/zinc/93/65/62/353936562.db2.gz RACAEAXQIUUBFV-SJORKVTESA-N 0 1 322.449 1.387 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](C[N@H+]3CCC[C@@H]3c3ccccn3)[C@@H](O)[C@@H]2O1 ZINC000106385115 353939323 /nfs/dbraw/zinc/93/93/23/353939323.db2.gz BROBLMZLNSWKNT-DGXTUMSLSA-N 0 1 320.389 1.456 10 0 DDAEMN CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccccn3)[C@@H](O)[C@@H]2O1 ZINC000106385115 353939325 /nfs/dbraw/zinc/93/93/25/353939325.db2.gz BROBLMZLNSWKNT-DGXTUMSLSA-N 0 1 320.389 1.456 10 0 DDAEMN CN(CC(=O)[O-])C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386863035 354632684 /nfs/dbraw/zinc/63/26/84/354632684.db2.gz JSWQSUVCPPHJHV-UHFFFAOYSA-N 0 1 319.405 1.767 10 0 DDAEMN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccn1 ZINC000074932209 191389816 /nfs/dbraw/zinc/38/98/16/191389816.db2.gz ANNQTWKDXIBRJM-UHFFFAOYSA-N 0 1 303.343 1.685 10 0 DDAEMN C[C@H](O)[C@H]([NH3+])C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000080748961 192187054 /nfs/dbraw/zinc/18/70/54/192187054.db2.gz GRKNESVTAGTJQZ-CRCLSJGQSA-N 0 1 319.235 1.041 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000080869040 192196798 /nfs/dbraw/zinc/19/67/98/192196798.db2.gz UBVKCJYAKZBMSY-SNVBAGLBSA-N 0 1 318.468 1.956 10 0 DDAEMN C[C@@H](N)c1csc(=NS(=O)(=O)N2CCCC[C@@H]2C)[nH]1 ZINC000080870240 192197428 /nfs/dbraw/zinc/19/74/28/192197428.db2.gz PTQKFYZANOGILW-DTWKUNHWSA-N 0 1 304.441 1.694 10 0 DDAEMN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180727547 199201544 /nfs/dbraw/zinc/20/15/44/199201544.db2.gz FDWXMVCOYMAWBV-RKDXNWHRSA-N 0 1 316.760 1.807 10 0 DDAEMN O=C([O-])C[C@@H]1C[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000091296800 193034055 /nfs/dbraw/zinc/03/40/55/193034055.db2.gz ATUFKDBZCHZBSG-OLZOCXBDSA-N 0 1 311.765 1.819 10 0 DDAEMN O=C([O-])C[C@@H]1C[N@@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000091296800 193034056 /nfs/dbraw/zinc/03/40/56/193034056.db2.gz ATUFKDBZCHZBSG-OLZOCXBDSA-N 0 1 311.765 1.819 10 0 DDAEMN O=C1N(Cc2ccc(Br)s2)C[C@H]2CNCCN12 ZINC000091751099 193101980 /nfs/dbraw/zinc/10/19/80/193101980.db2.gz NKOGUMIAYDJRQI-MRVPVSSYSA-N 0 1 316.224 1.720 10 0 DDAEMN COc1c(CN2CCC(c3nncn3C)CC2)c(C)nn1C ZINC000091795286 193109968 /nfs/dbraw/zinc/10/99/68/193109968.db2.gz IXVYNSBGORIGLB-UHFFFAOYSA-N 0 1 304.398 1.245 10 0 DDAEMN Cc1[nH]nc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1CNC1CC1 ZINC000092113687 193161348 /nfs/dbraw/zinc/16/13/48/193161348.db2.gz YDSPPXDJTXYTDG-NXEZZACHSA-N 0 1 312.439 1.247 10 0 DDAEMN Cc1ccccc1[C@H](NCCS(N)(=O)=O)c1ccccc1 ZINC000093248793 193220806 /nfs/dbraw/zinc/22/08/06/193220806.db2.gz LVWSKLUOCMKRNQ-MRXNPFEDSA-N 0 1 304.415 1.963 10 0 DDAEMN CCn1nc(C)c([C@H](C)NCC(C)(C)S(C)(=O)=O)c1C ZINC000093523096 193262792 /nfs/dbraw/zinc/26/27/92/193262792.db2.gz OGDITVJDGYKTRX-JTQLQIEISA-N 0 1 301.456 1.994 10 0 DDAEMN CCCN1CCC(O)([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639142 193388303 /nfs/dbraw/zinc/38/83/03/193388303.db2.gz TWJQOAIYSGEQHK-UONOGXRCSA-N 0 1 303.468 1.827 10 0 DDAEMN CCCN[C@@H](c1cc(Cl)cnc1N)[C@@H]1CN2CCN1CC2 ZINC000094510660 193375846 /nfs/dbraw/zinc/37/58/46/193375846.db2.gz URYGTYVHOKTQFR-KBPBESRZSA-N 0 1 309.845 1.358 10 0 DDAEMN C[C@@H]1NC(=O)CC[C@H]1NCc1cc(O)ccc1Br ZINC000282462087 217014216 /nfs/dbraw/zinc/01/42/16/217014216.db2.gz UAOGRTSCJNORAS-QPUJVOFHSA-N 0 1 313.195 1.911 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC)cc2N)C1 ZINC000040501846 183083478 /nfs/dbraw/zinc/08/34/78/183083478.db2.gz OIBYTCINOMOHQV-NSHDSACASA-N 0 1 313.423 1.040 10 0 DDAEMN CCN1CCC[C@H](NS(=O)(=O)c2c(C)ccc(N)c2C)C1 ZINC000040501920 183083823 /nfs/dbraw/zinc/08/38/23/183083823.db2.gz VOQCVJPBCGRCIP-ZDUSSCGKSA-N 0 1 311.451 1.648 10 0 DDAEMN CCN(c1cccc(C)c1)S(=O)(=O)c1cnc(NN)nc1 ZINC000041071368 183163022 /nfs/dbraw/zinc/16/30/22/183163022.db2.gz LSCLESYRAHITST-UHFFFAOYSA-N 0 1 307.379 1.286 10 0 DDAEMN CCCN1CCC(NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000042297373 183250439 /nfs/dbraw/zinc/25/04/39/183250439.db2.gz LQAUUXHBLUMIJE-UHFFFAOYSA-N 0 1 307.419 1.600 10 0 DDAEMN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CNCCO1 ZINC000043800960 183386656 /nfs/dbraw/zinc/38/66/56/183386656.db2.gz LBSBSIDDSZBOOW-SNVBAGLBSA-N 0 1 312.391 1.469 10 0 DDAEMN COc1ccc(F)cc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000284578929 218085940 /nfs/dbraw/zinc/08/59/40/218085940.db2.gz IHLXQYIOCGAMAH-STQMWFEESA-N 0 1 310.369 1.625 10 0 DDAEMN O=C(NCCCOCC(F)(F)F)N1CCN2CCCC[C@H]2C1 ZINC000105128754 194078355 /nfs/dbraw/zinc/07/83/55/194078355.db2.gz UMMHQGKTUHEHAI-LBPRGKRZSA-N 0 1 323.359 1.835 10 0 DDAEMN CCOCCN1CCN(C[C@H](O)COc2ccccc2)C[C@@H]1C ZINC000105835150 194142688 /nfs/dbraw/zinc/14/26/88/194142688.db2.gz HDVOKDGAASWCMS-IRXDYDNUSA-N 0 1 322.449 1.469 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)OC)o2)C[C@@H]1C ZINC000105834451 194143324 /nfs/dbraw/zinc/14/33/24/194143324.db2.gz JCIAGOZCGONCFJ-ZDUSSCGKSA-N 0 1 310.394 1.609 10 0 DDAEMN NC(=S)CN1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000109442663 194264106 /nfs/dbraw/zinc/26/41/06/194264106.db2.gz OFSKYAMMNWXSCY-UHFFFAOYSA-N 0 1 300.431 1.639 10 0 DDAEMN Cc1ccccc1C(=O)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000109465413 194265686 /nfs/dbraw/zinc/26/56/86/194265686.db2.gz FWKRKGHSHVVCFE-UHFFFAOYSA-N 0 1 305.447 1.818 10 0 DDAEMN O=S1(=O)CC[C@@H](N[C@@H]2CCCC[C@@H]2O)c2cc(F)ccc21 ZINC000051996296 183845192 /nfs/dbraw/zinc/84/51/92/183845192.db2.gz VYMCFUGIICRYGL-MCIONIFRSA-N 0 1 313.394 1.937 10 0 DDAEMN NNc1[nH+]cccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000061120877 184162186 /nfs/dbraw/zinc/16/21/86/184162186.db2.gz IKPJIDHPLDDXEY-UHFFFAOYSA-N 0 1 318.280 1.585 10 0 DDAEMN O=C([O-])C[N@H+]1CCCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000061125882 184162767 /nfs/dbraw/zinc/16/27/67/184162767.db2.gz REVBFYNXRFEYEW-UHFFFAOYSA-N 0 1 314.744 1.712 10 0 DDAEMN CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)C(C)(C)C(=O)[O-] ZINC000061175072 184164274 /nfs/dbraw/zinc/16/42/74/184164274.db2.gz NJTHZKJTXAIJIQ-UHFFFAOYSA-N 0 1 309.391 1.750 10 0 DDAEMN C[N@H+](CC(=O)NCCc1cccc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000061172309 184164410 /nfs/dbraw/zinc/16/44/10/184164410.db2.gz WHLVBLUHEGSADM-UHFFFAOYSA-N 0 1 312.797 1.794 10 0 DDAEMN C[N@@H+](CC(=O)NCCc1cccc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000061172309 184164411 /nfs/dbraw/zinc/16/44/11/184164411.db2.gz WHLVBLUHEGSADM-UHFFFAOYSA-N 0 1 312.797 1.794 10 0 DDAEMN CCc1ccc(S(=O)(=O)N2CCC[C@H]2CN(C)C)cc1N ZINC000061642547 184180212 /nfs/dbraw/zinc/18/02/12/184180212.db2.gz OTPIDPGZXADHHM-ZDUSSCGKSA-N 0 1 311.451 1.546 10 0 DDAEMN [NH3+][C@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000063213867 184278929 /nfs/dbraw/zinc/27/89/29/184278929.db2.gz IXQWRDUAACVYIF-NWDGAFQWSA-N 0 1 304.362 1.903 10 0 DDAEMN Cc1ccc(C(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1Cl ZINC000063021182 184267558 /nfs/dbraw/zinc/26/75/58/184267558.db2.gz DFXIDRRFJWOGSG-UHFFFAOYSA-N 0 1 310.781 1.881 10 0 DDAEMN O=C(c1ccccc1)N1CCC(N[C@H]2C=CS(=O)(=O)C2)CC1 ZINC000065405548 184337627 /nfs/dbraw/zinc/33/76/27/184337627.db2.gz BXTBABABQCUWLY-HNNXBMFYSA-N 0 1 320.414 1.192 10 0 DDAEMN CC[C@@H]1CN(Cc2cc(C(N)=O)cs2)CCN1C[C@@H](C)O ZINC000120758022 195231652 /nfs/dbraw/zinc/23/16/52/195231652.db2.gz IFHCBFIEENBCRT-DGCLKSJQSA-N 0 1 311.451 1.124 10 0 DDAEMN Cn1cc(CN2CC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1 ZINC000248164482 257106758 /nfs/dbraw/zinc/10/67/58/257106758.db2.gz ZALRXXUAVCXYRK-DOTOQJQBSA-N 0 1 314.389 1.628 10 0 DDAEMN C[C@H]1COC[C@H](C)N1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000120941137 195268921 /nfs/dbraw/zinc/26/89/21/195268921.db2.gz XDVVZIPIWOTZJC-RYUDHWBXSA-N 0 1 305.378 1.223 10 0 DDAEMN COc1ccc([C@@H](C)N[C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000069137281 406684273 /nfs/dbraw/zinc/68/42/73/406684273.db2.gz YVHZKFGOEZWPJQ-YPMHNXCESA-N 0 1 313.419 1.932 10 0 DDAEMN COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC ZINC000013532920 406863235 /nfs/dbraw/zinc/86/32/35/406863235.db2.gz KUPCMNHSRONILW-UHFFFAOYSA-N 0 1 304.350 1.566 10 0 DDAEMN COc1cccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)c1 ZINC000029313082 406922538 /nfs/dbraw/zinc/92/25/38/406922538.db2.gz KNQCEEXPTHNFSH-UHFFFAOYSA-N 0 1 310.317 1.831 10 0 DDAEMN CC(C)C[C@H](C[NH+](C)C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000038106266 406999430 /nfs/dbraw/zinc/99/94/30/406999430.db2.gz ISBIGACZIRXACM-SNVBAGLBSA-N 0 1 322.862 1.328 10 0 DDAEMN COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC000055161976 407197455 /nfs/dbraw/zinc/19/74/55/407197455.db2.gz OUIHCYLHPLXIKD-UHFFFAOYSA-N 0 1 310.335 1.708 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000123564277 407332966 /nfs/dbraw/zinc/33/29/66/407332966.db2.gz XEIANNZPIUYWES-INIZCTEOSA-N 0 1 302.422 1.531 10 0 DDAEMN CCOC(=O)CCCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106902323 407365764 /nfs/dbraw/zinc/36/57/64/407365764.db2.gz GTFDQLYDQXNDJM-HNNXBMFYSA-N 0 1 306.406 1.619 10 0 DDAEMN CCOCCN1CC[N@@H+](Cc2ccc(C(=O)NC)cc2)C[C@@H]1C ZINC000109005462 407394162 /nfs/dbraw/zinc/39/41/62/407394162.db2.gz XADCSNAQNPFPBX-HNNXBMFYSA-N 0 1 319.449 1.589 10 0 DDAEMN CCOCCN1CCN(Cc2ccc(C(=O)NC)cc2)C[C@@H]1C ZINC000109005462 407394164 /nfs/dbraw/zinc/39/41/64/407394164.db2.gz XADCSNAQNPFPBX-HNNXBMFYSA-N 0 1 319.449 1.589 10 0 DDAEMN COC1(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CCCCC1 ZINC000185552819 407452359 /nfs/dbraw/zinc/45/23/59/407452359.db2.gz VHTBXFUQBPGGQV-LBPRGKRZSA-N 0 1 308.382 1.362 10 0 DDAEMN CC[C@H]1CN(C(=O)NCC2(C3CC3)CC2)CCN1CCOC ZINC000152257891 407596149 /nfs/dbraw/zinc/59/61/49/407596149.db2.gz UGODOQMTSKPKIS-HNNXBMFYSA-N 0 1 309.454 1.929 10 0 DDAEMN CNC(=O)c1ccn([C@H]2CCCN(Cc3cnc(N)s3)C2)n1 ZINC000261971092 407695740 /nfs/dbraw/zinc/69/57/40/407695740.db2.gz IGWSZZBTEKPKNF-JTQLQIEISA-N 0 1 320.422 1.119 10 0 DDAEMN C[C@H](CN1CCCC1=O)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000171611818 407719599 /nfs/dbraw/zinc/71/95/99/407719599.db2.gz GZLKEZNQDSTZOQ-GDBMZVCRSA-N 0 1 317.433 1.286 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC000262239005 407773869 /nfs/dbraw/zinc/77/38/69/407773869.db2.gz HQBOUHGZVPWSCD-RYUDHWBXSA-N 0 1 314.769 1.034 10 0 DDAEMN CC(C)[C@H](O)CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179339106 407770169 /nfs/dbraw/zinc/77/01/69/407770169.db2.gz ABNNIZNMEKWOSE-QWHCGFSZSA-N 0 1 306.410 1.795 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000262277073 407781441 /nfs/dbraw/zinc/78/14/41/407781441.db2.gz WNTQCPMFEDJSNQ-GFCCVEGCSA-N 0 1 306.391 1.484 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000262284814 407783481 /nfs/dbraw/zinc/78/34/81/407783481.db2.gz XSLJQVMDKUIMAF-SWLSCSKDSA-N 0 1 319.405 1.613 10 0 DDAEMN CSc1ccccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000187147277 407826692 /nfs/dbraw/zinc/82/66/92/407826692.db2.gz WHQLMCJVJDFQPF-NSHDSACASA-N 0 1 300.449 1.733 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000262599247 407878239 /nfs/dbraw/zinc/87/82/39/407878239.db2.gz XMBXWZUPSLARGM-LBPRGKRZSA-N 0 1 302.334 1.490 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H](C)OCC3CC3)CCO2)n[nH]1 ZINC000173561206 407888588 /nfs/dbraw/zinc/88/85/88/407888588.db2.gz QDYSBVNHFDFDSL-PWSUYJOCSA-N 0 1 308.382 1.082 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(C)c2F)C1 ZINC000262703075 407904706 /nfs/dbraw/zinc/90/47/06/407904706.db2.gz IQJCBUKEMYWPJL-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN CC(C)Oc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000179906988 407843528 /nfs/dbraw/zinc/84/35/28/407843528.db2.gz IPGFHMIXRQCYIY-CQSZACIVSA-N 0 1 324.446 1.943 10 0 DDAEMN CCCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262902661 407966649 /nfs/dbraw/zinc/96/66/49/407966649.db2.gz IITOOHMPKCYOEP-UONOGXRCSA-N 0 1 314.426 1.589 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCc2ccccn2)C[C@@H]1C ZINC000174295055 407929534 /nfs/dbraw/zinc/92/95/34/407929534.db2.gz SPNOVNQZTANCRQ-LSDHHAIUSA-N 0 1 305.422 1.318 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181392779 407992777 /nfs/dbraw/zinc/99/27/77/407992777.db2.gz JKKGGDDAAOAFKP-HNNXBMFYSA-N 0 1 319.453 1.379 10 0 DDAEMN C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262996164 407995277 /nfs/dbraw/zinc/99/52/77/407995277.db2.gz OHGSIUFHXSZTKU-FBIMIBRVSA-N 0 1 322.327 1.629 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)CCN1C[C@H](C)O ZINC000245787500 408067983 /nfs/dbraw/zinc/06/79/83/408067983.db2.gz ZSVJJSWUECWTRV-DZGCQCFKSA-N 0 1 306.406 1.618 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccnc(C)c3)CCO2)n[nH]1 ZINC000119480303 408079025 /nfs/dbraw/zinc/07/90/25/408079025.db2.gz SSWAANPIUBNBDO-GFCCVEGCSA-N 0 1 302.338 1.422 10 0 DDAEMN CC(C)C[C@H](Nc1nc(N[C@H]2CCCOC2)cc[nH+]1)C(=O)[O-] ZINC000263433562 408138600 /nfs/dbraw/zinc/13/86/00/408138600.db2.gz ULWARQHBPBHOQU-RYUDHWBXSA-N 0 1 308.382 1.979 10 0 DDAEMN COc1ccc([C@@H](C)C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000263443112 408140710 /nfs/dbraw/zinc/14/07/10/408140710.db2.gz XCGLAOKWGJMXRA-STQMWFEESA-N 0 1 322.405 1.710 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000263471742 408149644 /nfs/dbraw/zinc/14/96/44/408149644.db2.gz DROCJTDWVDYOPQ-ULQDDVLXSA-N 0 1 318.417 1.507 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCCC3(CC3)C2)C1 ZINC000263507158 408158894 /nfs/dbraw/zinc/15/88/94/408158894.db2.gz XMPCWGIIIAAESL-UHFFFAOYSA-N 0 1 309.410 1.510 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc(C)nc(OC)c2C)C1 ZINC000263545307 408170764 /nfs/dbraw/zinc/17/07/64/408170764.db2.gz GMKWVKJSBFIWQA-UHFFFAOYSA-N 0 1 308.382 1.451 10 0 DDAEMN Cc1ccc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1C ZINC000263580327 408180736 /nfs/dbraw/zinc/18/07/36/408180736.db2.gz VVAUZBHTSBNYTK-INIZCTEOSA-N 0 1 306.406 1.521 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)NC3CCCCC3)CCO2)n[nH]1 ZINC000151105241 408255902 /nfs/dbraw/zinc/25/59/02/408255902.db2.gz KLAXMBMZAULNAU-GFCCVEGCSA-N 0 1 307.398 1.783 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C)nc1 ZINC000190340807 408223612 /nfs/dbraw/zinc/22/36/12/408223612.db2.gz XHDRVHNGQXLBHG-LSDHHAIUSA-N 0 1 316.405 1.414 10 0 DDAEMN COCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190539160 408270879 /nfs/dbraw/zinc/27/08/79/408270879.db2.gz SDVNEIJIJXHIAW-ZDUSSCGKSA-N 0 1 311.451 1.768 10 0 DDAEMN COc1ccnc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1OC ZINC000190561204 408277645 /nfs/dbraw/zinc/27/76/45/408277645.db2.gz OCAILIMOLDKUPS-CYBMUJFWSA-N 0 1 317.393 1.603 10 0 DDAEMN COc1ccnc(CN2CCC[C@@H](Cn3cncn3)C2)c1OC ZINC000190561204 408277656 /nfs/dbraw/zinc/27/76/56/408277656.db2.gz OCAILIMOLDKUPS-CYBMUJFWSA-N 0 1 317.393 1.603 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)N[C@@H](C)CC(C)C)CCO2)n[nH]1 ZINC000133312789 162056390 /nfs/dbraw/zinc/05/63/90/162056390.db2.gz UQUCTPPAVFATEW-NWDGAFQWSA-N 0 1 309.414 1.885 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246927112 408366984 /nfs/dbraw/zinc/36/69/84/408366984.db2.gz JHXGRGKPBRSUAA-BRWVUGGUSA-N 0 1 323.481 1.573 10 0 DDAEMN Cc1nc([C@@H]2CN(C[C@H](O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173664781 162356083 /nfs/dbraw/zinc/35/60/83/162356083.db2.gz WPLYZDOZRZMHJR-KBPBESRZSA-N 0 1 324.331 1.498 10 0 DDAEMN CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173994654 162385537 /nfs/dbraw/zinc/38/55/37/162385537.db2.gz MKHFLJOEMYOQAZ-CVEARBPZSA-N 0 1 311.470 1.286 10 0 DDAEMN CCOCCN1CCN(Cc2noc(C(C)(C)C)n2)C[C@H]1C ZINC000247203479 408427339 /nfs/dbraw/zinc/42/73/39/408427339.db2.gz PCWXARDDBMFVRO-CYBMUJFWSA-N 0 1 310.442 1.910 10 0 DDAEMN COc1csc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000176923688 408477480 /nfs/dbraw/zinc/47/74/80/408477480.db2.gz LCIDOJLZAYJYAA-SNVBAGLBSA-N 0 1 308.363 1.397 10 0 DDAEMN CCCCCS(=O)(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1 ZINC000184597845 408652423 /nfs/dbraw/zinc/65/24/23/408652423.db2.gz AQFKXNXVQINXNJ-NSHDSACASA-N 0 1 316.427 1.260 10 0 DDAEMN C[C@@H](C(=O)NCCc1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000177763146 408705366 /nfs/dbraw/zinc/70/53/66/408705366.db2.gz VEMPWWGTMJCYCK-LSDHHAIUSA-N 0 1 321.490 1.965 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000163667316 408785815 /nfs/dbraw/zinc/78/58/15/408785815.db2.gz HQTKNJOZIQITID-GFCCVEGCSA-N 0 1 309.329 1.646 10 0 DDAEMN CN(C)C(=O)N1CCC(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000195060105 408809227 /nfs/dbraw/zinc/80/92/27/408809227.db2.gz QHRJFRCDLHQNTK-OAHLLOKOSA-N 0 1 322.453 1.077 10 0 DDAEMN CN(C)C(=O)N1CCC(C(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000195060105 408809230 /nfs/dbraw/zinc/80/92/30/408809230.db2.gz QHRJFRCDLHQNTK-OAHLLOKOSA-N 0 1 322.453 1.077 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000194147755 408767783 /nfs/dbraw/zinc/76/77/83/408767783.db2.gz RFQQNZMYOHDCTE-OAHLLOKOSA-N 0 1 317.389 1.428 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000194149605 408768788 /nfs/dbraw/zinc/76/87/88/408768788.db2.gz CXJUHEQTRWICNG-LLVKDONJSA-N 0 1 311.332 1.504 10 0 DDAEMN C[C@H]1OCCC[C@H]1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000190352073 163137327 /nfs/dbraw/zinc/13/73/27/163137327.db2.gz AITLAETUEMGBRM-HUUCEWRRSA-N 0 1 311.470 1.334 10 0 DDAEMN CC[C@H]1CN(Cc2cn(C(C)(C)C)nn2)CCN1CCOC ZINC000191337307 163182518 /nfs/dbraw/zinc/18/25/18/163182518.db2.gz DGSZZDLQQXBKMJ-HNNXBMFYSA-N 0 1 309.458 1.576 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000195181007 163310054 /nfs/dbraw/zinc/31/00/54/163310054.db2.gz QOAGCEDWOLZSOA-MRXNPFEDSA-N 0 1 300.402 1.959 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000262326727 163807903 /nfs/dbraw/zinc/80/79/03/163807903.db2.gz GCYPJWPREVTEAQ-VIFPVBQESA-N 0 1 305.300 1.684 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000285529875 409479503 /nfs/dbraw/zinc/47/95/03/409479503.db2.gz PAXYHKJFVZRIHJ-MRXNPFEDSA-N 0 1 318.425 1.303 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cccc(O)c2)CCN1C[C@@H](C)O ZINC000492697394 287122193 /nfs/dbraw/zinc/12/21/93/287122193.db2.gz ACZSUQUSABMVFF-LOWICHSDSA-N 0 1 318.417 1.709 10 0 DDAEMN CNC(=O)CN1CCC(CN(C)c2nc3ccccc3o2)CC1 ZINC000301383929 410710502 /nfs/dbraw/zinc/71/05/02/410710502.db2.gz UPJSZBSPFHSKSK-UHFFFAOYSA-N 0 1 316.405 1.722 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3cc(C(N)=O)cs3)CCO2)n[nH]1 ZINC000129115413 196020992 /nfs/dbraw/zinc/02/09/92/196020992.db2.gz OVQRBYUPBACPOO-LLVKDONJSA-N 0 1 321.406 1.101 10 0 DDAEMN CO[C@@H]1CCC[C@@H](CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000375663510 418670659 /nfs/dbraw/zinc/67/06/59/418670659.db2.gz JVNBEJUIMRYBCG-MGPQQGTHSA-N 0 1 322.409 1.608 10 0 DDAEMN Cc1nnc([C@H]2CN(Cc3n[nH]c(C(C)(C)C)n3)C[C@@H](C)O2)o1 ZINC000661926742 424271108 /nfs/dbraw/zinc/27/11/08/424271108.db2.gz BHXNEKGBZZNEBK-MWLCHTKSSA-N 0 1 320.397 1.756 10 0 DDAEMN O=C([C@H]1CCCN1c1nccs1)N1CCN2CCCC[C@H]2C1 ZINC000246383122 275008109 /nfs/dbraw/zinc/00/81/09/275008109.db2.gz HRYSJORTLIXLGS-UONOGXRCSA-N 0 1 320.462 1.809 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nc3ccccc3n2C)C1 ZINC000263551604 276087895 /nfs/dbraw/zinc/08/78/95/276087895.db2.gz LEYJEYKHINSUMI-UHFFFAOYSA-N 0 1 302.378 1.923 10 0 DDAEMN CC(C)N(C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C(C)C ZINC000263047900 279284288 /nfs/dbraw/zinc/28/42/88/279284288.db2.gz UEDWJIHJHOOKCO-GHMZBOCLSA-N 0 1 324.343 1.827 10 0 DDAEMN CCOc1ccccc1NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000105933206 281051476 /nfs/dbraw/zinc/05/14/76/281051476.db2.gz NVFUNWBKPCWOGC-ZIAGYGMSSA-N 0 1 321.421 1.333 10 0 DDAEMN Cc1nnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)[nH]1 ZINC000171804025 293333071 /nfs/dbraw/zinc/33/30/71/293333071.db2.gz XDNIFBROGPAIEE-GXTWGEPZSA-N 0 1 313.361 1.661 10 0 DDAEMN Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCCc1nn[nH]n1 ZINC000534585411 334291926 /nfs/dbraw/zinc/29/19/26/334291926.db2.gz WWKANXPRVRSXSO-GFCCVEGCSA-N 0 1 317.397 1.108 10 0 DDAEMN OCCN1CCN(CCCC2=N[C@@H](c3ccccc3)NO2)CC1 ZINC000584620900 337374845 /nfs/dbraw/zinc/37/48/45/337374845.db2.gz OZRPJJJAWHVAGT-QGZVFWFLSA-N 0 1 318.421 1.009 10 0 DDAEMN CC(C)CCC1CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000236690635 484181984 /nfs/dbraw/zinc/18/19/84/484181984.db2.gz ABONIGXTHGJIIF-CQSZACIVSA-N 0 1 318.483 1.423 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1C1CC1 ZINC000663228934 484753847 /nfs/dbraw/zinc/75/38/47/484753847.db2.gz HYFAYMYNSUXYFR-LSDHHAIUSA-N 0 1 317.389 1.129 10 0 DDAEMN Cc1ccncc1CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C1CC1 ZINC000663228934 484753853 /nfs/dbraw/zinc/75/38/53/484753853.db2.gz HYFAYMYNSUXYFR-LSDHHAIUSA-N 0 1 317.389 1.129 10 0 DDAEMN COCc1cc(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)no1 ZINC000668650996 485258223 /nfs/dbraw/zinc/25/82/23/485258223.db2.gz RYSGGNHPDDUSDC-BLLLJJGKSA-N 0 1 320.393 1.812 10 0 DDAEMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1nnc2n1CCCC2 ZINC000156300806 525328050 /nfs/dbraw/zinc/32/80/50/525328050.db2.gz KBPXTFQZYBYOJX-SECBINFHSA-N 0 1 304.325 1.950 10 0 DDAEMN Cn1nccc1C1CC[NH+](CCC[N-]C(=O)C(F)(F)F)CC1 ZINC000154792320 527599398 /nfs/dbraw/zinc/59/93/98/527599398.db2.gz SUZQMXFHOILTNI-UHFFFAOYSA-N 0 1 318.343 1.668 10 0 DDAEMN CCOC[C@H](O)CN1CCCC[C@@H]1c1ccc(C(=O)NC)n1C ZINC000328628624 528997218 /nfs/dbraw/zinc/99/72/18/528997218.db2.gz HKFNLMRVPAZKHE-UKRRQHHQSA-N 0 1 323.437 1.309 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2csc(C)n2)CCN1CCOC ZINC000117306723 696670658 /nfs/dbraw/zinc/67/06/58/696670658.db2.gz PDGHXGYICQRSRV-AWEZNQCLSA-N 0 1 311.451 1.563 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(C)c2)C1 ZINC000128307207 696777855 /nfs/dbraw/zinc/77/78/55/696777855.db2.gz HTILICFETHUQEQ-LLVKDONJSA-N 0 1 324.812 1.582 10 0 DDAEMN COCCN1CCN(CN2C[C@H](CC(C)C)CC2=O)C[C@@H]1C ZINC000174077933 697383656 /nfs/dbraw/zinc/38/36/56/697383656.db2.gz KTEHNZKAMUCJJK-JKSUJKDBSA-N 0 1 311.470 1.491 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179553867 697439115 /nfs/dbraw/zinc/43/91/15/697439115.db2.gz AGLAIUHWHBNRQZ-SNVBAGLBSA-N 0 1 310.785 1.274 10 0 DDAEMN COCCN1CCN(CN2Cc3ccc(F)cc3C2=O)C[C@H]1C ZINC000179859469 697442210 /nfs/dbraw/zinc/44/22/10/697442210.db2.gz PKQIUWIMGKSFEA-CYBMUJFWSA-N 0 1 321.396 1.392 10 0 DDAEMN O=C(Cc1[nH]nc2c1CCCC2)N1CCN2CCCC[C@H]2C1 ZINC000188352919 697557613 /nfs/dbraw/zinc/55/76/13/697557613.db2.gz SIAFLYQWZOJMPT-ZDUSSCGKSA-N 0 1 302.422 1.528 10 0 DDAEMN CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000194048871 697689495 /nfs/dbraw/zinc/68/94/95/697689495.db2.gz TWEJOKZRHSQYRF-MNOVXSKESA-N 0 1 323.359 1.290 10 0 DDAEMN C[C@@]1(C(=O)N[C@H]2CN3CCC2CC3)CC(c2ccccc2)=NO1 ZINC000222582839 697758049 /nfs/dbraw/zinc/75/80/49/697758049.db2.gz YMMYBETXZIQRQD-WMZOPIPTSA-N 0 1 313.401 1.780 10 0 DDAEMN O=S(=O)(c1cccnc1Cl)N1CCN2CCC[C@H]2C1 ZINC000252457048 698402337 /nfs/dbraw/zinc/40/23/37/698402337.db2.gz ZFADVEPHSMKRTM-JTQLQIEISA-N 0 1 301.799 1.204 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCSC[C@@H]2C)C1 ZINC000262949072 698485640 /nfs/dbraw/zinc/48/56/40/698485640.db2.gz AQAHGPFLGFWVKB-UNXYVOJBSA-N 0 1 315.439 1.071 10 0 DDAEMN Cc1cnc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)s1 ZINC000263517476 698511615 /nfs/dbraw/zinc/51/16/15/698511615.db2.gz PHRZUFRBQIGRBH-UHFFFAOYSA-N 0 1 309.435 1.869 10 0 DDAEMN Cc1cc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)on1 ZINC000702845559 699234460 /nfs/dbraw/zinc/23/44/60/699234460.db2.gz NONWLIROXLXHDD-WCQYABFASA-N 0 1 311.382 1.300 10 0 DDAEMN CCn1cnnc1[C@H]1CN(C(=O)[C@@H]2CCN2C(C)(C)C)CCO1 ZINC000897471611 708343536 /nfs/dbraw/zinc/34/35/36/708343536.db2.gz PITODQOJTFLQPE-QWHCGFSZSA-N 0 1 321.425 1.071 10 0 DDAEMN C/C=C/[C@H](O)C(=O)N1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000907556814 712594479 /nfs/dbraw/zinc/59/44/79/712594479.db2.gz WEMAUWVTWATNTI-PETXIUHOSA-N 0 1 303.406 1.781 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908092594 712684623 /nfs/dbraw/zinc/68/46/23/712684623.db2.gz NMBWLZZMGUHKOP-MQYQWHSLSA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908092594 712684627 /nfs/dbraw/zinc/68/46/27/712684627.db2.gz NMBWLZZMGUHKOP-MQYQWHSLSA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908092594 712684628 /nfs/dbraw/zinc/68/46/28/712684628.db2.gz NMBWLZZMGUHKOP-MQYQWHSLSA-N 0 1 319.409 1.110 10 0 DDAEMN COC(=O)/C=C(\C)CN1CCO[C@@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000929729748 713677979 /nfs/dbraw/zinc/67/79/79/713677979.db2.gz JDTJXEPQCXXUSP-JATZPVMKSA-N 0 1 322.409 1.595 10 0 DDAEMN COC(=O)/C=C(\C)CN1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000929729748 713677980 /nfs/dbraw/zinc/67/79/80/713677980.db2.gz JDTJXEPQCXXUSP-JATZPVMKSA-N 0 1 322.409 1.595 10 0 DDAEMN Cc1[nH]nc(-c2ccco2)c1C(=O)N1CCC(C(N)=O)CC1 ZINC000074666562 185006947 /nfs/dbraw/zinc/00/69/47/185006947.db2.gz YFHDMZDKYFAHAC-UHFFFAOYSA-N 0 1 302.334 1.316 10 0 DDAEMN CCCCOC[C@H](O)CN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000248661798 282097375 /nfs/dbraw/zinc/09/73/75/282097375.db2.gz XRAWJXYOWQTERW-UONOGXRCSA-N 0 1 307.456 1.063 10 0 DDAEMN CCS(=O)(=O)CCC[N@@H+](C)C1(CC(=O)[O-])CCCCC1 ZINC000087572451 185228758 /nfs/dbraw/zinc/22/87/58/185228758.db2.gz GFSDGURIIKKEPF-UHFFFAOYSA-N 0 1 305.440 1.921 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000081977612 192347896 /nfs/dbraw/zinc/34/78/96/192347896.db2.gz LWSOCYBMIZEMBO-HZMBPMFUSA-N 0 1 315.391 1.061 10 0 DDAEMN COc1ccc(Br)cc1CN1CCCNCC1=O ZINC000087882092 185234415 /nfs/dbraw/zinc/23/44/15/185234415.db2.gz VDARIHOKERMNBN-UHFFFAOYSA-N 0 1 313.195 1.780 10 0 DDAEMN O=C(Cc1ccn[nH]1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176435119 539229358 /nfs/dbraw/zinc/22/93/58/539229358.db2.gz TWMMAADUCADNOD-CYBMUJFWSA-N 0 1 314.393 1.634 10 0 DDAEMN Cc1cc(=O)[n-]c(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)n1 ZINC000088398306 185248581 /nfs/dbraw/zinc/24/85/81/185248581.db2.gz IDQIZBAIROMSQU-OLZOCXBDSA-N 0 1 305.403 1.101 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1cccc(C(F)(F)F)n1 ZINC000088673146 185262194 /nfs/dbraw/zinc/26/21/94/185262194.db2.gz OAHLJZFGIJYMQU-SECBINFHSA-N 0 1 303.284 1.442 10 0 DDAEMN CCCCN([C@@H](C)CC)S(=O)(=O)c1c(C)[nH]nc1CO ZINC000088891195 185269694 /nfs/dbraw/zinc/26/96/94/185269694.db2.gz AJUBRXNWROTQRJ-JTQLQIEISA-N 0 1 303.428 1.800 10 0 DDAEMN C[C@@H](C[NH3+])CSCC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000090350754 185292178 /nfs/dbraw/zinc/29/21/78/185292178.db2.gz OJLXIGHEXKOEOM-VIFPVBQESA-N 0 1 300.811 1.924 10 0 DDAEMN CC[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090476081 185298416 /nfs/dbraw/zinc/29/84/16/185298416.db2.gz KSZCPPDPZRMUMC-GRYCIOLGSA-N 0 1 300.399 1.101 10 0 DDAEMN CCn1cc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1C(=O)[O-] ZINC000092349041 185313413 /nfs/dbraw/zinc/31/34/13/185313413.db2.gz VZTFTIRMROGLLK-UHFFFAOYSA-N 0 1 309.347 1.710 10 0 DDAEMN Cc1cccc(CS(=O)(=O)c2nc3cc(N)ccc3[nH]2)n1 ZINC000092432332 185317924 /nfs/dbraw/zinc/31/79/24/185317924.db2.gz FOROOTXAETWXOR-UHFFFAOYSA-N 0 1 302.359 1.822 10 0 DDAEMN CCc1ccc(N)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092621902 185330113 /nfs/dbraw/zinc/33/01/13/185330113.db2.gz RNJGKOLBZQZHCJ-CQSZACIVSA-N 0 1 311.451 1.546 10 0 DDAEMN CCNCc1[nH]nc(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C ZINC000092833206 185344982 /nfs/dbraw/zinc/34/49/82/185344982.db2.gz IJUPAZFLDNSNIB-UHFFFAOYSA-N 0 1 314.455 1.541 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nc[nH]n2)CC1 ZINC000616629054 362763695 /nfs/dbraw/zinc/76/36/95/362763695.db2.gz PSXTZRUCDHQETL-GFCCVEGCSA-N 0 1 306.391 1.763 10 0 DDAEMN Cc1ccn(C)c1C(=O)N1CCCC[C@H]1c1[nH]ncc1C(N)=O ZINC000685941988 539565751 /nfs/dbraw/zinc/56/57/51/539565751.db2.gz KILOHMWSKLXEPU-LBPRGKRZSA-N 0 1 315.377 1.523 10 0 DDAEMN CN[C@@H](C[S@@](=O)CCOC)c1cc(OC)ccc1OC ZINC000084035720 192396370 /nfs/dbraw/zinc/39/63/70/192396370.db2.gz FFKAWGBIYDKVNF-RNODOKPDSA-N 0 1 301.408 1.359 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccc(OC)c3)CCO2)n[nH]1 ZINC000173581754 198229538 /nfs/dbraw/zinc/22/95/38/198229538.db2.gz UFCWURJTRDAJHQ-ZDUSSCGKSA-N 0 1 316.361 1.589 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(C)n3C)CCO2)n[nH]1 ZINC000173576993 198229638 /nfs/dbraw/zinc/22/96/38/198229638.db2.gz VONNBVXRFPPKJY-LBPRGKRZSA-N 0 1 303.366 1.228 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000174081014 198289223 /nfs/dbraw/zinc/28/92/23/198289223.db2.gz JPOFIYISNWDQMU-ZDUSSCGKSA-N 0 1 310.394 1.263 10 0 DDAEMN CC[C@H]1CN(C(=O)COc2ccccc2)CCN1C[C@@H](C)O ZINC000174618539 198360995 /nfs/dbraw/zinc/36/09/95/198360995.db2.gz OLNABMFJJDCDTP-CABCVRRESA-N 0 1 306.406 1.369 10 0 DDAEMN CN1CCN(c2cc3ccc(F)cc3c(CC(N)=O)n2)CC1 ZINC000117719202 353995359 /nfs/dbraw/zinc/99/53/59/353995359.db2.gz ZRZAVZUTYLSVEY-UHFFFAOYSA-N 0 1 302.353 1.154 10 0 DDAEMN CCOCCN1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C[C@H]1C ZINC000248709914 354370644 /nfs/dbraw/zinc/37/06/44/354370644.db2.gz BYONLTAUQLUXTD-KGLIPLIRSA-N 0 1 308.426 1.594 10 0 DDAEMN Cn1cnnc1[C@@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000328630344 354553215 /nfs/dbraw/zinc/55/32/15/354553215.db2.gz JHEQQAYEZODESY-PBHICJAKSA-N 0 1 312.417 1.994 10 0 DDAEMN Cc1cc2c(cc1S(=O)(=O)Nc1ccccn1)OCCO2 ZINC000074936270 191391552 /nfs/dbraw/zinc/39/15/52/191391552.db2.gz IWBZYNJDUXRPLP-UHFFFAOYSA-N 0 1 306.343 1.962 10 0 DDAEMN O=C([O-])CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000262155968 304048799 /nfs/dbraw/zinc/04/87/99/304048799.db2.gz ALHHQJGTDXOXAF-INIZCTEOSA-N 0 1 316.401 1.901 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@@H](c2ccccc2C(F)(F)F)NC1 ZINC000080100910 192001223 /nfs/dbraw/zinc/00/12/23/192001223.db2.gz QUDIMBZVDIOUPK-KWQFWETISA-N 0 1 308.325 1.787 10 0 DDAEMN CC[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2cn(C)cn2)n1 ZINC000080869167 192197543 /nfs/dbraw/zinc/19/75/43/192197543.db2.gz KZLQDSZVIBLHFP-QMMMGPOBSA-N 0 1 315.424 1.348 10 0 DDAEMN CNC(=O)[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000092100104 193158117 /nfs/dbraw/zinc/15/81/17/193158117.db2.gz ULQHXOZQPAHLLO-OAHLLOKOSA-N 0 1 314.389 1.796 10 0 DDAEMN C[C@H](C(=O)[O-])N1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092266798 193183239 /nfs/dbraw/zinc/18/32/39/193183239.db2.gz LBMSYDSNBGNSBF-TZMCWYRMSA-N 0 1 306.431 1.794 10 0 DDAEMN O=C(C[C@@H]1COCCN1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000262507197 203313347 /nfs/dbraw/zinc/31/33/47/203313347.db2.gz JGIWWBCFWQARQP-IXDOHACOSA-N 0 1 318.417 1.480 10 0 DDAEMN CC(C)(C)c1nc2c(n1CC(C)(C)S(C)(=O)=O)CCNC2 ZINC000093525641 193263683 /nfs/dbraw/zinc/26/36/83/193263683.db2.gz TYFCXDDDIPCEHG-UHFFFAOYSA-N 0 1 313.467 1.650 10 0 DDAEMN CN(C)C(=O)c1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)[nH]1 ZINC000093585282 193270365 /nfs/dbraw/zinc/27/03/65/193270365.db2.gz QHSLKVCSFKBYTD-CXAGYDPISA-N 0 1 305.422 1.844 10 0 DDAEMN COC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1nc(C)cc(=O)[n-]1 ZINC000093629320 193276086 /nfs/dbraw/zinc/27/60/86/193276086.db2.gz GHRIGEDMCLTQHD-IINYFYTJSA-N 0 1 311.407 1.231 10 0 DDAEMN CCN[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncccn1 ZINC000093700047 193294334 /nfs/dbraw/zinc/29/43/34/193294334.db2.gz YLJMLQPMYXCATK-STQMWFEESA-N 0 1 312.439 1.189 10 0 DDAEMN Cc1c(F)cc(N)cc1S(=O)(=O)NC1CCN(C)CC1 ZINC000094359340 193365080 /nfs/dbraw/zinc/36/50/80/193365080.db2.gz NCALVLATSKITAH-UHFFFAOYSA-N 0 1 301.387 1.089 10 0 DDAEMN CCN(C)CCNS(=O)(=O)c1cc(N)c(C)cc1Cl ZINC000094638952 193387915 /nfs/dbraw/zinc/38/79/15/193387915.db2.gz AKOSCCSAKFVKIL-UHFFFAOYSA-N 0 1 305.831 1.461 10 0 DDAEMN CC(C)(C)NCc1cn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 ZINC000094645177 193389409 /nfs/dbraw/zinc/38/94/09/193389409.db2.gz WIUIUHPNSZQJCN-CHWSQXEVSA-N 0 1 314.455 1.695 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)NCCN1CCCC1 ZINC000094779646 193396916 /nfs/dbraw/zinc/39/69/16/193396916.db2.gz HNRYDBQHGXMQJO-UHFFFAOYSA-N 0 1 301.387 1.090 10 0 DDAEMN CCc1nc2n(n1)C(CC(=O)Nc1ccc(C)cc1F)C(=O)N2 ZINC000040375584 183056938 /nfs/dbraw/zinc/05/69/38/183056938.db2.gz PSXBGQGENAHKBE-NSHDSACASA-N 0 1 317.324 1.810 10 0 DDAEMN CCCN(CCOc1cccc(C(N)=S)c1)CC(=O)NC ZINC000042404986 183265338 /nfs/dbraw/zinc/26/53/38/183265338.db2.gz RNLMHZNCGSLDLU-UHFFFAOYSA-N 0 1 309.435 1.158 10 0 DDAEMN COc1cccc([C@@H](Sc2nc(N)cc(=O)[n-]2)[C@H](C)[NH3+])c1 ZINC000043033088 183331084 /nfs/dbraw/zinc/33/10/84/183331084.db2.gz CCAVDFUAJCXYCO-SDBXPKJASA-N 0 1 306.391 1.541 10 0 DDAEMN CCOc1cc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)ncn1 ZINC000284636993 218110720 /nfs/dbraw/zinc/11/07/20/218110720.db2.gz VKLDKLRPSWOWMS-MNOVXSKESA-N 0 1 304.354 1.268 10 0 DDAEMN C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCCc2ccccc21 ZINC000105932910 194173608 /nfs/dbraw/zinc/17/36/08/194173608.db2.gz FRIBTISCGBOFFW-ZBFHGGJFSA-N 0 1 317.433 1.275 10 0 DDAEMN COC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000106453952 194216100 /nfs/dbraw/zinc/21/61/00/194216100.db2.gz UNBTUEQKUCWTIZ-INIZCTEOSA-N 0 1 318.417 1.571 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109466558 194267027 /nfs/dbraw/zinc/26/70/27/194267027.db2.gz RFLNCHCUDKPMBF-CYBMUJFWSA-N 0 1 312.483 1.711 10 0 DDAEMN O=C([O-])c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000110345538 194324167 /nfs/dbraw/zinc/32/41/67/194324167.db2.gz CAYFIQYATNXKPS-NSHDSACASA-N 0 1 311.769 1.344 10 0 DDAEMN CCN(C[C@H](C)C(=O)[O-])C(=O)NCCCC[N@@H+](C)C(C)C ZINC000061226585 184166720 /nfs/dbraw/zinc/16/67/20/184166720.db2.gz MUBAWBNRFJFOFE-ZDUSSCGKSA-N 0 1 301.431 1.859 10 0 DDAEMN NNc1ccc(Cl)c(CSc2ncnc3[n-]cnc32)[nH+]1 ZINC000061639986 184180078 /nfs/dbraw/zinc/18/00/78/184180078.db2.gz XKILQARPQDHOMS-UHFFFAOYSA-N 0 1 307.770 1.979 10 0 DDAEMN Nc1cn[nH]c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000062811327 184253806 /nfs/dbraw/zinc/25/38/06/184253806.db2.gz AZRJOVFZQGKUEW-UHFFFAOYSA-N 0 1 300.240 1.821 10 0 DDAEMN CCN(CC)CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 ZINC000066212154 184397323 /nfs/dbraw/zinc/39/73/23/184397323.db2.gz OVUJCGMDRJPZDM-UHFFFAOYSA-N 0 1 305.422 1.988 10 0 DDAEMN Cc1nn(C)cc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157691585 197207870 /nfs/dbraw/zinc/20/78/70/197207870.db2.gz IQPFTINKXIPUQL-NSHDSACASA-N 0 1 307.419 1.983 10 0 DDAEMN CN(C)C(=O)CO[C@H]1CCOC2(CN(CC3CCCCC3)C2)C1 ZINC000247948187 257114384 /nfs/dbraw/zinc/11/43/84/257114384.db2.gz BLLKCMHGMMDVAY-INIZCTEOSA-N 0 1 324.465 1.905 10 0 DDAEMN O=C1C[C@@H]2[C@H](CCN2Cc2ccccn2)N1Cc1cccnc1 ZINC000253614864 257104732 /nfs/dbraw/zinc/10/47/32/257104732.db2.gz MFUIEBBEYXEERS-DLBZAZTESA-N 0 1 308.385 1.852 10 0 DDAEMN Clc1nc2ccccn2c1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000071880874 406861256 /nfs/dbraw/zinc/86/12/56/406861256.db2.gz BCXHZBBIRLEQMQ-CYBMUJFWSA-N 0 1 320.824 1.941 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000075981792 406949026 /nfs/dbraw/zinc/94/90/26/406949026.db2.gz XPWJIQYPQACHRX-JSGCOSHPSA-N 0 1 303.410 1.041 10 0 DDAEMN CC(C)N1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000046043523 407052613 /nfs/dbraw/zinc/05/26/13/407052613.db2.gz OMIBUJNJTOJNAT-AWEZNQCLSA-N 0 1 318.421 1.749 10 0 DDAEMN CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000101564276 407311478 /nfs/dbraw/zinc/31/14/78/407311478.db2.gz RPARHCGUZWFGEK-HNNXBMFYSA-N 0 1 303.406 1.666 10 0 DDAEMN CCCC(=O)N[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000101564276 407311479 /nfs/dbraw/zinc/31/14/79/407311479.db2.gz RPARHCGUZWFGEK-HNNXBMFYSA-N 0 1 303.406 1.666 10 0 DDAEMN O=C([C@H]1CCCN1c1nccs1)N1CCN2CCCC[C@@H]2C1 ZINC000105370708 407353273 /nfs/dbraw/zinc/35/32/73/407353273.db2.gz HRYSJORTLIXLGS-ZIAGYGMSSA-N 0 1 320.462 1.809 10 0 DDAEMN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)C1 ZINC000106908227 407365998 /nfs/dbraw/zinc/36/59/98/407365998.db2.gz VOHWSOFLDCNPGQ-SJORKVTESA-N 0 1 317.433 1.286 10 0 DDAEMN CN1CCO[C@H](CN[C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111229662 407401488 /nfs/dbraw/zinc/40/14/88/407401488.db2.gz KPBDBQGKWNESRI-TZMCWYRMSA-N 0 1 323.824 1.366 10 0 DDAEMN CNC(=O)[C@H](NC(=O)c1c[nH]c2c(C)cccc2c1=O)C(C)C ZINC000185799825 407505379 /nfs/dbraw/zinc/50/53/79/407505379.db2.gz JUIITFJYUPHBNX-CYBMUJFWSA-N 0 1 315.373 1.749 10 0 DDAEMN O=C(c1ccn[nH]1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1 ZINC000253413375 407441306 /nfs/dbraw/zinc/44/13/06/407441306.db2.gz UQLVCSRTRKTBIC-VIFPVBQESA-N 0 1 309.276 1.893 10 0 DDAEMN COC1(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCCCC1 ZINC000185552837 407453148 /nfs/dbraw/zinc/45/31/48/407453148.db2.gz VHTBXFUQBPGGQV-GFCCVEGCSA-N 0 1 308.382 1.362 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)nc3)CCO2)n[nH]1 ZINC000128267177 407516604 /nfs/dbraw/zinc/51/66/04/407516604.db2.gz YKKGBJYAPGYJSU-JTQLQIEISA-N 0 1 320.328 1.507 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3ccc(OC)cc3)CCO2)n[nH]1 ZINC000129228991 407598034 /nfs/dbraw/zinc/59/80/34/407598034.db2.gz ZOGDLLPWWBHYPL-AWEZNQCLSA-N 0 1 302.378 1.949 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000262190957 407762866 /nfs/dbraw/zinc/76/28/66/407762866.db2.gz CFTAAEZILFOUDV-KRWDZBQOSA-N 0 1 314.385 1.856 10 0 DDAEMN CCOCCN1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1CC ZINC000116772384 407772211 /nfs/dbraw/zinc/77/22/11/407772211.db2.gz LUAZNHNICIWBML-CQSZACIVSA-N 0 1 307.394 1.360 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000262241299 407772604 /nfs/dbraw/zinc/77/26/04/407772604.db2.gz HTAWWKKIWFKYLU-BXUZGUMPSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000262241299 407772611 /nfs/dbraw/zinc/77/26/11/407772611.db2.gz HTAWWKKIWFKYLU-BXUZGUMPSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@@H](N)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000262264367 407780104 /nfs/dbraw/zinc/78/01/04/407780104.db2.gz JSMPZAUMXUBACT-JOYOIKCWSA-N 0 1 315.211 1.470 10 0 DDAEMN Cc1ccc(C(=O)CCC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000116798016 407781096 /nfs/dbraw/zinc/78/10/96/407781096.db2.gz GBKNOORXUFDQEB-MRXNPFEDSA-N 0 1 318.417 1.747 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000262262998 407778746 /nfs/dbraw/zinc/77/87/46/407778746.db2.gz JNKCFLFJPQXXNM-LLVKDONJSA-N 0 1 306.284 1.304 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000262379933 407817183 /nfs/dbraw/zinc/81/71/83/407817183.db2.gz XRGLMRIRBRUETF-WCQYABFASA-N 0 1 311.357 1.329 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000118857331 407954452 /nfs/dbraw/zinc/95/44/52/407954452.db2.gz HEPRPHQXPJPOFJ-DOTOQJQBSA-N 0 1 319.449 1.080 10 0 DDAEMN CC(C)(C)[C@@H](O)CNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000119100966 407996483 /nfs/dbraw/zinc/99/64/83/407996483.db2.gz SWKGJJVUXRNGIV-JTQLQIEISA-N 0 1 311.325 1.789 10 0 DDAEMN CC[C@@H]1CN(c2cc(NCC3CC3)ncn2)CCN1CCOC ZINC000119535307 408090492 /nfs/dbraw/zinc/09/04/92/408090492.db2.gz TVSLMQLSKMGPIF-OAHLLOKOSA-N 0 1 319.453 1.846 10 0 DDAEMN COC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000246040213 408125573 /nfs/dbraw/zinc/12/55/73/408125573.db2.gz NTEXDNGEGUBCTA-IUODEOHRSA-N 0 1 300.349 1.573 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000246725423 408324740 /nfs/dbraw/zinc/32/47/40/408324740.db2.gz LTXLTSWBXXIHTK-OLZOCXBDSA-N 0 1 310.825 1.796 10 0 DDAEMN CC(C)=CCNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000190587023 408286391 /nfs/dbraw/zinc/28/63/91/408286391.db2.gz YBWUQRAGRJHODN-KRWDZBQOSA-N 0 1 317.433 1.671 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](COCCOC)C2)C1 ZINC000246583057 408297623 /nfs/dbraw/zinc/29/76/23/408297623.db2.gz ZVKOHFMMQUACJQ-CABCVRRESA-N 0 1 313.442 1.165 10 0 DDAEMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000136865690 162123163 /nfs/dbraw/zinc/12/31/63/162123163.db2.gz YSNQRCCXCNBWGW-KGLIPLIRSA-N 0 1 319.453 1.707 10 0 DDAEMN CCc1ccccc1NC(=O)[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000171645893 162233090 /nfs/dbraw/zinc/23/30/90/162233090.db2.gz CUHPYWLQVZTBJQ-HIFRSBDPSA-N 0 1 305.422 1.496 10 0 DDAEMN CCC(CC)N1C[C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000171756708 162240958 /nfs/dbraw/zinc/24/09/58/162240958.db2.gz RSIAYJMNCIHBNH-UKRRQHHQSA-N 0 1 307.438 1.330 10 0 DDAEMN CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173512548 162345839 /nfs/dbraw/zinc/34/58/39/162345839.db2.gz PECGFVZTVLTGCC-UONOGXRCSA-N 0 1 311.426 1.454 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(Cl)ccn3)CCO2)n[nH]1 ZINC000173532574 162347600 /nfs/dbraw/zinc/34/76/00/162347600.db2.gz BCCQMQJEPCSXFD-LLVKDONJSA-N 0 1 307.741 1.375 10 0 DDAEMN COC(=O)c1cc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)oc1C ZINC000173666780 162355598 /nfs/dbraw/zinc/35/55/98/162355598.db2.gz HGJKAKIFVGNOJT-ZDUSSCGKSA-N 0 1 320.349 1.375 10 0 DDAEMN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccn[nH]1 ZINC000176529467 408387616 /nfs/dbraw/zinc/38/76/16/408387616.db2.gz RUATZAORISSETC-ZDUSSCGKSA-N 0 1 320.418 1.617 10 0 DDAEMN CCOCCN1CCN(Cc2cn3cccnc3n2)C[C@H]1C ZINC000247034530 408392038 /nfs/dbraw/zinc/39/20/38/408392038.db2.gz DIPDEHSRRDXPGS-CQSZACIVSA-N 0 1 303.410 1.272 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247087627 408407497 /nfs/dbraw/zinc/40/74/97/408407497.db2.gz HJHGNJFYRUXLKK-CABCVRRESA-N 0 1 322.453 1.715 10 0 DDAEMN C[C@@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnc[nH]1 ZINC000176741513 408430302 /nfs/dbraw/zinc/43/03/02/408430302.db2.gz IFKIVCIIVPQSCU-NXEZZACHSA-N 0 1 309.370 1.239 10 0 DDAEMN CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CCN1C[C@H](C)O ZINC000247209534 408431054 /nfs/dbraw/zinc/43/10/54/408431054.db2.gz PMZSGKFLYLAVRG-DOTOQJQBSA-N 0 1 319.449 1.792 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2ncccc2C)CC1 ZINC000183549827 408438806 /nfs/dbraw/zinc/43/88/06/408438806.db2.gz BNBOMQPBRVMGCK-LQYUOIDQSA-N 0 1 303.406 1.318 10 0 DDAEMN CCC[C@@H](C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)N(C)C ZINC000162121821 408671194 /nfs/dbraw/zinc/67/11/94/408671194.db2.gz WYIWOLTULMHNKR-ZFWWWQNUSA-N 0 1 321.396 1.778 10 0 DDAEMN CCOCCN1CCN(Cc2nc(N(C)C)no2)C[C@H]1CC ZINC000185258727 408788513 /nfs/dbraw/zinc/78/85/13/408788513.db2.gz CGZWBUIKNHTOEG-CYBMUJFWSA-N 0 1 311.430 1.068 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c1 ZINC000251899933 408789108 /nfs/dbraw/zinc/78/91/08/408789108.db2.gz WHTUPFRBFZFSEK-IAQYHMDHSA-N 0 1 310.419 1.460 10 0 DDAEMN CCOC(C)(C)CNC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000187680290 163026940 /nfs/dbraw/zinc/02/69/40/163026940.db2.gz GCUVJTIEVCRBHL-LLVKDONJSA-N 0 1 311.386 1.011 10 0 DDAEMN O=S(=O)(CCc1cccs1)N1CCN2CCC[C@@H]2C1 ZINC000192020832 163213001 /nfs/dbraw/zinc/21/30/01/163213001.db2.gz FZKNYQHGUCYZSX-GFCCVEGCSA-N 0 1 300.449 1.400 10 0 DDAEMN O=C(c1cnc2sccn2c1=O)N1CCN2CCCC[C@H]2C1 ZINC000195080145 163306134 /nfs/dbraw/zinc/30/61/34/163306134.db2.gz OJKWGHAMCFEGTF-NSHDSACASA-N 0 1 318.402 1.066 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)CN1C[C@@H](OC)C[C@H]1CO ZINC000309883897 164004807 /nfs/dbraw/zinc/00/48/07/164004807.db2.gz YAIPHUVJPOZFCL-HOTGVXAUSA-N 0 1 306.406 1.117 10 0 DDAEMN CCC[C@@H](C(=O)Nc1ccc(NS(C)(=O)=O)cc1)N(C)C ZINC000131791334 196199210 /nfs/dbraw/zinc/19/92/10/196199210.db2.gz FOYCXQUFXDNMKD-ZDUSSCGKSA-N 0 1 313.423 1.727 10 0 DDAEMN CN(C)[C@@H](CNc1ncc(C(N)=O)cc1Cl)c1cnn(C)c1 ZINC000301274616 229600271 /nfs/dbraw/zinc/60/02/71/229600271.db2.gz IFOJYGNTCDXSSX-LBPRGKRZSA-N 0 1 322.800 1.282 10 0 DDAEMN COCc1ccccc1C(=O)N1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583619031 422205034 /nfs/dbraw/zinc/20/50/34/422205034.db2.gz WKDHTYJBNAOBAP-MRXNPFEDSA-N 0 1 316.361 1.075 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000183818168 263381982 /nfs/dbraw/zinc/38/19/82/263381982.db2.gz NGIAVPVPXVQFEI-GFCCVEGCSA-N 0 1 320.393 1.399 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000262300368 274043840 /nfs/dbraw/zinc/04/38/40/274043840.db2.gz NVEXHKSOWUGLDK-GFCCVEGCSA-N 0 1 303.189 1.852 10 0 DDAEMN COC(=O)[C@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246634512 277386180 /nfs/dbraw/zinc/38/61/80/277386180.db2.gz DFEDASXILHJENI-YCPHGPKFSA-N 0 1 306.406 1.288 10 0 DDAEMN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246859216 279188695 /nfs/dbraw/zinc/18/86/95/279188695.db2.gz FLPRYDXQBMDBHD-HZPDHXFCSA-N 0 1 309.454 1.040 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@H](C(=O)OC)c2ccccc2F)CC1 ZINC000173452244 280208846 /nfs/dbraw/zinc/20/88/46/280208846.db2.gz RIRRVJJERLGJLE-CJNGLKHVSA-N 0 1 324.396 1.428 10 0 DDAEMN CCOc1ccccc1NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000105933216 281051550 /nfs/dbraw/zinc/05/15/50/281051550.db2.gz NVFUNWBKPCWOGC-KBPBESRZSA-N 0 1 321.421 1.333 10 0 DDAEMN CC[C@H]1CN(Cc2nnc(C3CCC3)n2C)CCN1CCOC ZINC000181279483 281172369 /nfs/dbraw/zinc/17/23/69/281172369.db2.gz ZGMDYCYFCKKQBE-HNNXBMFYSA-N 0 1 321.469 1.625 10 0 DDAEMN O=C1CCCN1C[C@H](O)CNC1(c2nccs2)CCCC1 ZINC000126707901 281250117 /nfs/dbraw/zinc/25/01/17/281250117.db2.gz IXSNAGCZJZQLAY-GFCCVEGCSA-N 0 1 309.435 1.485 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCOCc2ccccc2)C[C@H]1C ZINC000246840597 282017932 /nfs/dbraw/zinc/01/79/32/282017932.db2.gz UIGUHRWZNMUWKP-CVEARBPZSA-N 0 1 320.433 1.507 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCO[C@H](C)C3)CCO2)n[nH]1 ZINC000371517318 307152236 /nfs/dbraw/zinc/15/22/36/307152236.db2.gz ZROJHXIMKTXBNK-UTUOFQBUSA-N 0 1 308.382 1.082 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCO[C@H](C)C3)CCO2)n[nH]1 ZINC000371517319 307152247 /nfs/dbraw/zinc/15/22/47/307152247.db2.gz ZROJHXIMKTXBNK-WOPDTQHZSA-N 0 1 308.382 1.082 10 0 DDAEMN C[C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)O1 ZINC000123791826 696735174 /nfs/dbraw/zinc/73/51/74/696735174.db2.gz CXBCPQLATYPPAW-BBRMVZONSA-N 0 1 303.406 1.944 10 0 DDAEMN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178964583 697431779 /nfs/dbraw/zinc/43/17/79/697431779.db2.gz BNSAEFFTXKRQFS-JGVFFNPUSA-N 0 1 324.233 1.794 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000189092528 697570781 /nfs/dbraw/zinc/57/07/81/697570781.db2.gz OIONLWGKVPQDJX-CQSZACIVSA-N 0 1 300.406 1.747 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)n[nH]1 ZINC000191770809 697613995 /nfs/dbraw/zinc/61/39/95/697613995.db2.gz HQPMQMMYZWDWRC-HNNXBMFYSA-N 0 1 317.393 1.792 10 0 DDAEMN C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@H]1CCCO1 ZINC000261946471 698446519 /nfs/dbraw/zinc/44/65/19/698446519.db2.gz MIUUGRWJDHWUIJ-HZUKXOBISA-N 0 1 301.390 1.721 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(C)C(C2CC2)C2CC2)C1 ZINC000263481441 698509381 /nfs/dbraw/zinc/50/93/81/698509381.db2.gz ODEICZUIXIQAGA-UHFFFAOYSA-N 0 1 323.437 1.754 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc(OC)c(F)c2)C1 ZINC000263504454 698510418 /nfs/dbraw/zinc/51/04/18/698510418.db2.gz LQRIMCUOKLYCPW-UHFFFAOYSA-N 0 1 310.369 1.861 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(C3CC3)cc2)CCO1 ZINC000263508319 698510957 /nfs/dbraw/zinc/51/09/57/698510957.db2.gz MQRQQVGAMVDDDZ-KRWDZBQOSA-N 0 1 318.417 1.781 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnn3ccccc23)C1 ZINC000263535791 698512095 /nfs/dbraw/zinc/51/20/95/698512095.db2.gz ZCMDQZPQUKKDAI-UHFFFAOYSA-N 0 1 302.378 1.361 10 0 DDAEMN CCc1noc(C)c1CN1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886091706 708696476 /nfs/dbraw/zinc/69/64/76/708696476.db2.gz MNMDOFIJEJJQGL-MRXNPFEDSA-N 0 1 320.393 1.806 10 0 DDAEMN Cc1ccc(CCC(=O)N2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)o1 ZINC000888094520 709211070 /nfs/dbraw/zinc/21/10/70/709211070.db2.gz YLDZDFXDBAZOKD-CABCVRRESA-N 0 1 317.393 1.126 10 0 DDAEMN O=C(C(=O)N1CCC[C@H]1c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000900390337 709570545 /nfs/dbraw/zinc/57/05/45/709570545.db2.gz BWKGXBCBLMIVLN-JTQLQIEISA-N 0 1 305.725 1.400 10 0 DDAEMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCOC[C@H]1CO ZINC000912423211 711323409 /nfs/dbraw/zinc/32/34/09/711323409.db2.gz VGPYIPWADWQXNM-SNVBAGLBSA-N 0 1 321.764 1.563 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908092595 712684698 /nfs/dbraw/zinc/68/46/98/712684698.db2.gz NMBWLZZMGUHKOP-SYQHCUMBSA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908092595 712684703 /nfs/dbraw/zinc/68/47/03/712684703.db2.gz NMBWLZZMGUHKOP-SYQHCUMBSA-N 0 1 319.409 1.110 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[n-]2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908092595 712684704 /nfs/dbraw/zinc/68/47/04/712684704.db2.gz NMBWLZZMGUHKOP-SYQHCUMBSA-N 0 1 319.409 1.110 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCN1C[C@@H](C)O ZINC000248443044 282083038 /nfs/dbraw/zinc/08/30/38/282083038.db2.gz AXNSFVCNAJDXSX-MGPQQGTHSA-N 0 1 315.483 1.369 10 0 DDAEMN Cc1cc2ncc([C@@H](C)N[C@H](C)CS(C)(=O)=O)c(C)n2n1 ZINC000081902685 192336669 /nfs/dbraw/zinc/33/66/69/192336669.db2.gz RVQJDVLWRJAHMF-GHMZBOCLSA-N 0 1 310.423 1.430 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1 ZINC000081925893 192339908 /nfs/dbraw/zinc/33/99/08/192339908.db2.gz YNWSVYKEDJVCNQ-GFCCVEGCSA-N 0 1 301.408 1.789 10 0 DDAEMN CCc1[nH]nc(C(=O)N2CCCCCCC2)c1S(N)(=O)=O ZINC000087893839 185235093 /nfs/dbraw/zinc/23/50/93/185235093.db2.gz RKLYUYLPPBRSDC-UHFFFAOYSA-N 0 1 314.411 1.026 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)NC1(c2ccccc2)CCC1)C(C)C ZINC000183635846 539242799 /nfs/dbraw/zinc/24/27/99/539242799.db2.gz MYHGSTOAYVWPCB-MRXNPFEDSA-N 0 1 317.433 1.542 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2sc3nccnc3c2N)C1 ZINC000088641883 185260972 /nfs/dbraw/zinc/26/09/72/185260972.db2.gz QHIYIFLTVUINHP-SECBINFHSA-N 0 1 305.407 1.488 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N1CCCc2ccccc21 ZINC000088876748 185268014 /nfs/dbraw/zinc/26/80/14/185268014.db2.gz NEYSPLHGBSBASA-UHFFFAOYSA-N 0 1 307.375 1.352 10 0 DDAEMN Cc1cc(C)c(C(N)=O)c(N(CC(=O)[O-])CC(F)(F)F)[nH+]1 ZINC000092436578 185318026 /nfs/dbraw/zinc/31/80/26/185318026.db2.gz RPHHECIAKCIHCQ-UHFFFAOYSA-N 0 1 305.256 1.251 10 0 DDAEMN CC(C)CCNC(=O)NC(=O)C[N@H+](CC(=O)[O-])C(C)(C)C ZINC000092450600 185319248 /nfs/dbraw/zinc/31/92/48/185319248.db2.gz DTPBYPQAYIQEGL-UHFFFAOYSA-N 0 1 301.387 1.043 10 0 DDAEMN CC(C)CCNC(=O)NC(=O)C[N@@H+](CC(=O)[O-])C(C)(C)C ZINC000092450600 185319249 /nfs/dbraw/zinc/31/92/49/185319249.db2.gz DTPBYPQAYIQEGL-UHFFFAOYSA-N 0 1 301.387 1.043 10 0 DDAEMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1N ZINC000092622783 185330023 /nfs/dbraw/zinc/33/00/23/185330023.db2.gz HRYTZGMFWPWODU-LLVKDONJSA-N 0 1 315.414 1.513 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000092621888 185330108 /nfs/dbraw/zinc/33/01/08/185330108.db2.gz IONAQCXRDCJQLL-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC[C@@H]1c1cccs1 ZINC000092780423 185340346 /nfs/dbraw/zinc/34/03/46/185340346.db2.gz BSGYFOOAHQUJPH-WCQYABFASA-N 0 1 302.403 1.849 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nn[nH]n2)CC1 ZINC000616626984 362762661 /nfs/dbraw/zinc/76/26/61/362762661.db2.gz BWUXGLVNXDKQMH-LLVKDONJSA-N 0 1 307.379 1.158 10 0 DDAEMN CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616637075 362764865 /nfs/dbraw/zinc/76/48/65/362764865.db2.gz RQUXBZHYOWEMIR-CYBMUJFWSA-N 0 1 305.378 1.667 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCCO[C@H](c2cnc[nH]2)C1 ZINC000616651404 362768967 /nfs/dbraw/zinc/76/89/67/362768967.db2.gz SRLXUQPPCYGIAV-AWEZNQCLSA-N 0 1 307.375 1.562 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1nnc[nH]1 ZINC000616657065 362771429 /nfs/dbraw/zinc/77/14/29/362771429.db2.gz IKDMGEKPPOJYEL-LLVKDONJSA-N 0 1 311.386 1.093 10 0 DDAEMN CCCNC(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725271643 539570363 /nfs/dbraw/zinc/57/03/63/539570363.db2.gz JHYXDKCTYHXUJT-JQWIXIFHSA-N 0 1 311.455 1.645 10 0 DDAEMN C[C@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NC(=O)C1(C)CC1 ZINC000725273094 539570900 /nfs/dbraw/zinc/57/09/00/539570900.db2.gz ZACPSSVIUYXGMR-JQWIXIFHSA-N 0 1 308.451 1.852 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(Cl)ccc2C)n[nH]1 ZINC000080527002 192165185 /nfs/dbraw/zinc/16/51/85/192165185.db2.gz QGSHWMMHOOAGJB-UHFFFAOYSA-N 0 1 314.798 1.896 10 0 DDAEMN CC(C)N(C(=O)CSc1nnc(CN)n1C1CC1)C(C)C ZINC000071376193 190963391 /nfs/dbraw/zinc/96/33/91/190963391.db2.gz BZOHAWVAFIDFTJ-UHFFFAOYSA-N 0 1 311.455 1.809 10 0 DDAEMN COCCN1CCN(CCOc2cccc(OC)c2)C[C@@H]1C ZINC000152608475 186089313 /nfs/dbraw/zinc/08/93/13/186089313.db2.gz FQWPNENJXCLGHZ-HNNXBMFYSA-N 0 1 308.422 1.727 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ncccc2C)CCN1CCOC ZINC000172275784 198070210 /nfs/dbraw/zinc/07/02/10/198070210.db2.gz WIFVILACZSAIPU-CQSZACIVSA-N 0 1 306.410 1.965 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cccc(F)c3F)CCO2)n[nH]1 ZINC000173555189 198225784 /nfs/dbraw/zinc/22/57/84/198225784.db2.gz NHVBHQAADBVRTN-NSHDSACASA-N 0 1 322.315 1.859 10 0 DDAEMN NNc1ccc(C(=O)NCc2nnc[nH]2)cc1C(F)(F)F ZINC000080652560 192178890 /nfs/dbraw/zinc/17/88/90/192178890.db2.gz GBGZJKUTFXLGEM-UHFFFAOYSA-N 0 1 300.244 1.039 10 0 DDAEMN COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000174004533 198279277 /nfs/dbraw/zinc/27/92/77/198279277.db2.gz IPTSSWGEQYYRIS-DOMZBBRYSA-N 0 1 312.435 1.702 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174173173 198301231 /nfs/dbraw/zinc/30/12/31/198301231.db2.gz NSOPGBDPWASANL-GHMZBOCLSA-N 0 1 323.397 1.457 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)CCCc2cccs2)C[C@H]1C ZINC000174340580 198322220 /nfs/dbraw/zinc/32/22/20/198322220.db2.gz JBEQHZJBBOQYPC-ZIAGYGMSSA-N 0 1 310.463 1.984 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@H](C)COC)C[C@H]1CC ZINC000246747767 354361956 /nfs/dbraw/zinc/36/19/56/354361956.db2.gz LIWZQMIVYDFSEL-LSDHHAIUSA-N 0 1 315.458 1.411 10 0 DDAEMN CN[C@H](C)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536958309 354692596 /nfs/dbraw/zinc/69/25/96/354692596.db2.gz XXVMBNPORZHYNV-SNVBAGLBSA-N 0 1 310.402 1.142 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000080868772 192196307 /nfs/dbraw/zinc/19/63/07/192196307.db2.gz OJGHZTDGIMSVQP-LURJTMIESA-N 0 1 316.408 1.829 10 0 DDAEMN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1n[nH]cc1CNC1CC1 ZINC000088925881 192659119 /nfs/dbraw/zinc/65/91/19/192659119.db2.gz WRDCGRKOKOOICD-GHMZBOCLSA-N 0 1 312.439 1.613 10 0 DDAEMN COCCN(CC(C)C)S(=O)(=O)c1cc(C)c(CN)s1 ZINC000089003349 192690931 /nfs/dbraw/zinc/69/09/31/192690931.db2.gz CLDCPFAVNAVBJM-UHFFFAOYSA-N 0 1 320.480 1.808 10 0 DDAEMN Cn1cc(CN2CCC[C@@H](n3cncn3)C2)c(-c2ccncc2)n1 ZINC000179470126 199040974 /nfs/dbraw/zinc/04/09/74/199040974.db2.gz YHOMNVGHWGLWLP-MRXNPFEDSA-N 0 1 323.404 1.911 10 0 DDAEMN O=S(=O)(N[C@@H]1CCC[C@H](O)C1)c1c(F)cc(F)cc1F ZINC000618460836 363638442 /nfs/dbraw/zinc/63/84/42/363638442.db2.gz ABDAMDKYZRYNMI-BDAKNGLRSA-N 0 1 309.309 1.686 10 0 DDAEMN O=C(c1nc(Br)cs1)N1CCN2CCC[C@@H]2C1 ZINC000188848984 200311436 /nfs/dbraw/zinc/31/14/36/200311436.db2.gz QERDRSMPJXRHAJ-MRVPVSSYSA-N 0 1 316.224 1.826 10 0 DDAEMN O=C([O-])C[C@@H]1CSCC[N@H+]1C1CCC2(CC1)OCCO2 ZINC000091133525 192999319 /nfs/dbraw/zinc/99/93/19/192999319.db2.gz ZIVKTIHRWJUXJO-GFCCVEGCSA-N 0 1 301.408 1.564 10 0 DDAEMN O=C([O-])C=Cc1csc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091756127 193103405 /nfs/dbraw/zinc/10/34/05/193103405.db2.gz BPVWVHSMQCRYJV-GXFZAYBSSA-N 0 1 307.375 1.055 10 0 DDAEMN O=C([O-])C=Cc1csc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1 ZINC000091756127 193103407 /nfs/dbraw/zinc/10/34/07/193103407.db2.gz BPVWVHSMQCRYJV-GXFZAYBSSA-N 0 1 307.375 1.055 10 0 DDAEMN COc1c(CN2CCC[C@@H](c3nc(C)no3)C2)c(C)nn1C ZINC000091832927 193113975 /nfs/dbraw/zinc/11/39/75/193113975.db2.gz JPWFLIPEMSGZIF-GFCCVEGCSA-N 0 1 305.382 1.808 10 0 DDAEMN CCN1CCO[C@H](C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC000092059729 193149790 /nfs/dbraw/zinc/14/97/90/193149790.db2.gz BMKMCNMHHZEGOV-CMPLNLGQSA-N 0 1 310.316 1.046 10 0 DDAEMN CCn1cc(O[C@@H]2CN(Cc3cccnc3C)C[C@H]2O)cn1 ZINC000625614430 367049753 /nfs/dbraw/zinc/04/97/53/367049753.db2.gz FZLHPZUXRVDJKQ-HZPDHXFCSA-N 0 1 302.378 1.231 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093598794 193272314 /nfs/dbraw/zinc/27/23/14/193272314.db2.gz JNGPEHKHRWLVOD-JOYOIKCWSA-N 0 1 305.300 1.963 10 0 DDAEMN COCCNCc1ccc(OCCOCC(F)(F)F)cn1 ZINC000094212530 193349243 /nfs/dbraw/zinc/34/92/43/193349243.db2.gz MGKIYSUPMXMCRB-UHFFFAOYSA-N 0 1 308.300 1.775 10 0 DDAEMN CCN[C@H](c1cc(Cl)ccc1OC)[C@H]1CN2CCN1CC2 ZINC000094510027 193376026 /nfs/dbraw/zinc/37/60/26/193376026.db2.gz VYGRQQGSWMZQCQ-GDBMZVCRSA-N 0 1 309.841 1.999 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000094779643 193396900 /nfs/dbraw/zinc/39/69/00/193396900.db2.gz FKJOVIRFYAXSGC-NSHDSACASA-N 0 1 315.414 1.431 10 0 DDAEMN Cc1c(N)cccc1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000040771101 183130937 /nfs/dbraw/zinc/13/09/37/183130937.db2.gz NMVCRUDPNDMSRA-UHFFFAOYSA-N 0 1 311.451 1.587 10 0 DDAEMN CC(C)c1cccc(NS(=O)(=O)c2cnc(NN)nc2)c1 ZINC000041071210 183162195 /nfs/dbraw/zinc/16/21/95/183162195.db2.gz WHBLISUBKVGRKO-UHFFFAOYSA-N 0 1 307.379 1.686 10 0 DDAEMN COCCN(CC(C)C)S(=O)(=O)c1ccc(CN)s1 ZINC000042370899 183259612 /nfs/dbraw/zinc/25/96/12/183259612.db2.gz GKSNIFJCGSQTSP-UHFFFAOYSA-N 0 1 306.453 1.500 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(C)c(C)c(N)c1 ZINC000045684500 183523975 /nfs/dbraw/zinc/52/39/75/183523975.db2.gz YMHMXVYTYRVFGR-UHFFFAOYSA-N 0 1 313.467 1.848 10 0 DDAEMN COCCN1CCN(Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000105834299 194141887 /nfs/dbraw/zinc/14/18/87/194141887.db2.gz QRYNPUHBXMQNEU-CQSZACIVSA-N 0 1 305.422 1.798 10 0 DDAEMN CC[C@H]1CN(CC(=O)N(C)c2ccccc2)CCN1CCOC ZINC000105836031 194142708 /nfs/dbraw/zinc/14/27/08/194142708.db2.gz PXPNPBIFGHNHKE-INIZCTEOSA-N 0 1 319.449 1.692 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NCc2ccccc2)CCN1CCOC ZINC000105836092 194143103 /nfs/dbraw/zinc/14/31/03/194143103.db2.gz WUVOVXNWOOIJDS-QGZVFWFLSA-N 0 1 319.449 1.345 10 0 DDAEMN CCCCc1nc(CN2CCN(CCOC)[C@H](CC)C2)no1 ZINC000105837270 194143850 /nfs/dbraw/zinc/14/38/50/194143850.db2.gz AIKUSTSUQZJDAN-CQSZACIVSA-N 0 1 310.442 1.955 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(-c3ccoc3)no2)CCN1CCOC ZINC000105837425 194144121 /nfs/dbraw/zinc/14/41/21/194144121.db2.gz ZUOMOKVEKXLPEI-CQSZACIVSA-N 0 1 320.393 1.872 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(Cc3cccnc3)CC2)C1 ZINC000105845918 194145129 /nfs/dbraw/zinc/14/51/29/194145129.db2.gz CCHPNONCOWSWMN-SFHVURJKSA-N 0 1 318.465 1.308 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109466555 194267567 /nfs/dbraw/zinc/26/75/67/194267567.db2.gz RFLNCHCUDKPMBF-ZDUSSCGKSA-N 0 1 312.483 1.711 10 0 DDAEMN CCc1cc(C(=O)N2CCC[C@@H](c3nncn3CC)C2)n[nH]1 ZINC000110757514 194357024 /nfs/dbraw/zinc/35/70/24/194357024.db2.gz WTFBRDBBNKCIAU-LLVKDONJSA-N 0 1 302.382 1.603 10 0 DDAEMN CCn1c(SCc2nc3sccc3c(NN)n2)n[nH]c1=O ZINC000061608359 184178187 /nfs/dbraw/zinc/17/81/87/184178187.db2.gz PPDQYDQVPDPEIH-UHFFFAOYSA-N 0 1 323.407 1.174 10 0 DDAEMN CCNc1ccccc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000061655952 184181427 /nfs/dbraw/zinc/18/14/27/184181427.db2.gz VFYDBDIJQKDLBQ-CYBMUJFWSA-N 0 1 311.451 1.833 10 0 DDAEMN CCN(CC)[C@H](CNS(=O)(=O)NC(C)C)c1cccs1 ZINC000062359605 184232924 /nfs/dbraw/zinc/23/29/24/184232924.db2.gz ZZOJWVRKCVXRTB-GFCCVEGCSA-N 0 1 319.496 1.963 10 0 DDAEMN CC[C@@]1(C(=O)[O-])CCC[N@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000062877476 184257816 /nfs/dbraw/zinc/25/78/16/184257816.db2.gz XLUQIHKFJDIGFX-CQSZACIVSA-N 0 1 311.407 1.967 10 0 DDAEMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000062877476 184257817 /nfs/dbraw/zinc/25/78/17/184257817.db2.gz XLUQIHKFJDIGFX-CQSZACIVSA-N 0 1 311.407 1.967 10 0 DDAEMN COc1ccc(S(=O)(=O)NOCCN2CCCC2)c(C)c1 ZINC000062578388 184244336 /nfs/dbraw/zinc/24/43/36/184244336.db2.gz MHQDTYUYARMQPM-UHFFFAOYSA-N 0 1 314.407 1.309 10 0 DDAEMN C[C@@H]1CN(C(=O)N2CCOCC2)CCN1CCc1ccccc1 ZINC000062691180 184247512 /nfs/dbraw/zinc/24/75/12/184247512.db2.gz MUHMQLKWIDHWIL-MRXNPFEDSA-N 0 1 317.433 1.687 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000062965333 184262741 /nfs/dbraw/zinc/26/27/41/184262741.db2.gz YQLGYNQEAHQAKK-JTQLQIEISA-N 0 1 317.842 1.555 10 0 DDAEMN O=C([O-])c1cc(Cl)ccc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062985385 184264959 /nfs/dbraw/zinc/26/49/59/184264959.db2.gz IYZSZONIYWNYJE-GFCCVEGCSA-N 0 1 310.781 1.949 10 0 DDAEMN Cc1nc(N2CCCC2)nc(NCCN2CCOC2=O)c1C ZINC000065406448 184338801 /nfs/dbraw/zinc/33/88/01/184338801.db2.gz DKLIMFDKGUWMJM-UHFFFAOYSA-N 0 1 305.382 1.558 10 0 DDAEMN COc1cccc(CN2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)c1 ZINC000247907409 257115161 /nfs/dbraw/zinc/11/51/61/257115161.db2.gz CQCWWEFAIIWRQP-IAGOWNOFSA-N 0 1 304.390 1.517 10 0 DDAEMN COC[C@H](N)C(=O)N(C)Cc1csc(Br)c1 ZINC000088003848 130085385 /nfs/dbraw/zinc/08/53/85/130085385.db2.gz RNNPWUZUJMLGSI-QMMMGPOBSA-N 0 1 307.213 1.443 10 0 DDAEMN Cn1ccnc1CNC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096296457 407259184 /nfs/dbraw/zinc/25/91/84/407259184.db2.gz DKDQWTOQCFEQDM-HNNXBMFYSA-N 0 1 323.400 1.972 10 0 DDAEMN O=C(c1ccc(O)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649695 407413110 /nfs/dbraw/zinc/41/31/10/407413110.db2.gz VOSVJDVRRWTRHZ-LBPRGKRZSA-N 0 1 321.764 1.783 10 0 DDAEMN CCOc1ccc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000112548319 407432178 /nfs/dbraw/zinc/43/21/78/407432178.db2.gz LUAQUSUXCUTMDI-XJKSGUPXSA-N 0 1 321.421 1.333 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCCN1CC)CC2 ZINC000114862714 407629081 /nfs/dbraw/zinc/62/90/81/407629081.db2.gz BIAPEJBNPGXXFY-CHWSQXEVSA-N 0 1 305.426 1.146 10 0 DDAEMN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)CC2 ZINC000114890436 407631781 /nfs/dbraw/zinc/63/17/81/407631781.db2.gz PJRKJBIOSAKOQR-JTQLQIEISA-N 0 1 320.780 1.944 10 0 DDAEMN COC[C@H](N)C(=O)Nc1cc(C)cc(Br)c1O ZINC000261966851 407694409 /nfs/dbraw/zinc/69/44/09/407694409.db2.gz AZGQTOHXARMUFQ-QMMMGPOBSA-N 0 1 303.156 1.375 10 0 DDAEMN COC[C@H](N)C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262166495 407756701 /nfs/dbraw/zinc/75/67/01/407756701.db2.gz AJSZBFWIAVGBPL-NSHDSACASA-N 0 1 306.284 1.218 10 0 DDAEMN Cn1cc([C@@H]2CCN(CC(=O)N3CCc4ccccc43)C2)cn1 ZINC000116316836 407742657 /nfs/dbraw/zinc/74/26/57/407742657.db2.gz CZEPEHUONROUJK-OAHLLOKOSA-N 0 1 310.401 1.799 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cc(OC)ccc1Br ZINC000262238689 407773170 /nfs/dbraw/zinc/77/31/70/407773170.db2.gz HOBXAJOBLNZSIY-LLVKDONJSA-N 0 1 317.183 1.048 10 0 DDAEMN CN(C)C[C@H]1CN(C(=O)C(=O)c2ccc(Cl)cc2)CCO1 ZINC000116792736 407778919 /nfs/dbraw/zinc/77/89/19/407778919.db2.gz PUALKJDMLBIXGN-ZDUSSCGKSA-N 0 1 310.781 1.312 10 0 DDAEMN CC[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCN1CCOC ZINC000117301237 407824762 /nfs/dbraw/zinc/82/47/62/407824762.db2.gz XQUBZIYXURNRGL-GOEBONIOSA-N 0 1 318.417 1.732 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000117399022 407833606 /nfs/dbraw/zinc/83/36/06/407833606.db2.gz RQXHSVNYAXUVFZ-CQSZACIVSA-N 0 1 323.441 1.868 10 0 DDAEMN COc1cc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc(OC)c1 ZINC000180110283 407855868 /nfs/dbraw/zinc/85/58/68/407855868.db2.gz RDQXKHMLRRCGNR-HNNXBMFYSA-N 0 1 318.377 1.704 10 0 DDAEMN CCCc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n[nH]1 ZINC000173875413 407900564 /nfs/dbraw/zinc/90/05/64/407900564.db2.gz ITNNGIDRRNLFEE-WFASDCNBSA-N 0 1 306.410 1.155 10 0 DDAEMN Cn1cc([C@@H]2CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000180656360 407907088 /nfs/dbraw/zinc/90/70/88/407907088.db2.gz YZVPNSBHBFWZHB-SNVBAGLBSA-N 0 1 304.316 1.278 10 0 DDAEMN Cn1cc([C@@H]2CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000180656360 407907096 /nfs/dbraw/zinc/90/70/96/407907096.db2.gz YZVPNSBHBFWZHB-SNVBAGLBSA-N 0 1 304.316 1.278 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H]3CCCOCC3)CCO2)n[nH]1 ZINC000181827944 408044172 /nfs/dbraw/zinc/04/41/72/408044172.db2.gz DXUYHJGZBXPFJI-NEPJUHHUSA-N 0 1 323.397 1.019 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)CCCOC)CCN1CCOC ZINC000245550087 408010826 /nfs/dbraw/zinc/01/08/26/408010826.db2.gz OMZGADVKMPJZOQ-HUUCEWRRSA-N 0 1 300.443 1.618 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)o1 ZINC000245792774 408068054 /nfs/dbraw/zinc/06/80/54/408068054.db2.gz WMCMQQPZFMMXAO-KBPBESRZSA-N 0 1 324.421 1.733 10 0 DDAEMN CN1CCO[C@@H](CN[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246128162 408146520 /nfs/dbraw/zinc/14/65/20/408146520.db2.gz BANDJCANUUXILU-GJZGRUSLSA-N 0 1 323.824 1.366 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc(OC)cc2OC)C1 ZINC000263529633 408164666 /nfs/dbraw/zinc/16/46/66/408164666.db2.gz VURQNCBPTXKPAW-UHFFFAOYSA-N 0 1 322.405 1.731 10 0 DDAEMN CC(C)[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(Cl)s1 ZINC000263562661 408175345 /nfs/dbraw/zinc/17/53/45/408175345.db2.gz CVVNRAFQTBPWEM-UHFFFAOYSA-N 0 1 304.799 1.813 10 0 DDAEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000246200864 408175303 /nfs/dbraw/zinc/17/53/03/408175303.db2.gz XSSXZYMOIZWKTA-IRXDYDNUSA-N 0 1 317.433 1.793 10 0 DDAEMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(Cl)s1 ZINC000263562661 408175348 /nfs/dbraw/zinc/17/53/48/408175348.db2.gz CVVNRAFQTBPWEM-UHFFFAOYSA-N 0 1 304.799 1.813 10 0 DDAEMN CCOCCN1CCN(Cc2ncnn2CC(C)C)C[C@@H]1C ZINC000182751699 408239240 /nfs/dbraw/zinc/23/92/40/408239240.db2.gz DYJQOJSZNLVQJU-HNNXBMFYSA-N 0 1 309.458 1.477 10 0 DDAEMN C[C@@H](NCC(=O)NCCCN1CCCC1=O)c1cccs1 ZINC000182652509 408215475 /nfs/dbraw/zinc/21/54/75/408215475.db2.gz VQIWBDRNAZMVDQ-GFCCVEGCSA-N 0 1 309.435 1.527 10 0 DDAEMN CC[C@H]1CN(Cc2nccc(OC)c2OC)CC[N@H+]1C[C@@H](C)O ZINC000190523407 408269666 /nfs/dbraw/zinc/26/96/66/408269666.db2.gz OSUOTQIKAPQQSQ-KGLIPLIRSA-N 0 1 323.437 1.376 10 0 DDAEMN COCCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190651710 408296628 /nfs/dbraw/zinc/29/66/28/408296628.db2.gz QKRZSONWPJZKSE-INIZCTEOSA-N 0 1 305.422 1.789 10 0 DDAEMN Cc1cccc(CCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246884180 408361387 /nfs/dbraw/zinc/36/13/87/408361387.db2.gz WRZMLLOKGALSGF-HOTGVXAUSA-N 0 1 304.434 1.841 10 0 DDAEMN CCc1ccccc1NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000171645887 162233174 /nfs/dbraw/zinc/23/31/74/162233174.db2.gz CUHPYWLQVZTBJQ-DZGCQCFKSA-N 0 1 305.422 1.496 10 0 DDAEMN CCCn1nccc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000173272291 162330399 /nfs/dbraw/zinc/33/03/99/162330399.db2.gz AFIXJUBMHQFWAN-ZIAGYGMSSA-N 0 1 323.441 1.602 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n[nH]1 ZINC000173530886 162344530 /nfs/dbraw/zinc/34/45/30/162344530.db2.gz LNFHZCYPZJWUKX-CYBMUJFWSA-N 0 1 304.325 1.774 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCO2)n[nH]1 ZINC000173517658 162345871 /nfs/dbraw/zinc/34/58/71/162345871.db2.gz YEGFDPKUYLCDMI-AWEZNQCLSA-N 0 1 311.345 1.808 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)[C@H](C)OCCC(C)C)CCO2)n[nH]1 ZINC000173576674 162348674 /nfs/dbraw/zinc/34/86/74/162348674.db2.gz PODFOUBOJSIGRB-QWHCGFSZSA-N 0 1 324.425 1.718 10 0 DDAEMN CCCCO[C@@H](C)C(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1 ZINC000173557609 162349460 /nfs/dbraw/zinc/34/94/60/162349460.db2.gz FTQDPFQGMQKMGK-RYUDHWBXSA-N 0 1 310.398 1.472 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CCN1C[C@H](C)O ZINC000246964265 408376258 /nfs/dbraw/zinc/37/62/58/408376258.db2.gz SXETXPLMVCWYAL-STQMWFEESA-N 0 1 322.453 1.624 10 0 DDAEMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000247177200 408419539 /nfs/dbraw/zinc/41/95/39/408419539.db2.gz RSBPEFQYTVTTIS-YYIAUSFCSA-N 0 1 323.481 1.571 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)NCCC3CCCC3)CCO2)n[nH]1 ZINC000175386251 162466950 /nfs/dbraw/zinc/46/69/50/162466950.db2.gz SRIPSNIPWWNGQQ-ZDUSSCGKSA-N 0 1 307.398 1.776 10 0 DDAEMN CNC(=O)NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247700544 408505057 /nfs/dbraw/zinc/50/50/57/408505057.db2.gz XSSHSQYZIKNIAM-ZIAGYGMSSA-N 0 1 305.378 1.030 10 0 DDAEMN O=S(=O)(c1ccc(F)c(F)c1F)N1CCN2CCC[C@H]2C1 ZINC000247473163 408475490 /nfs/dbraw/zinc/47/54/90/408475490.db2.gz HPAZALTZORBTAZ-VIFPVBQESA-N 0 1 320.336 1.573 10 0 DDAEMN Cc1cccc2nc(CN3C[C@H](C)[C@H](N4CCOCC4)C3)cn21 ZINC000177237721 408560028 /nfs/dbraw/zinc/56/00/28/408560028.db2.gz MHUMMLWEBCAIFG-WMLDXEAASA-N 0 1 314.433 1.795 10 0 DDAEMN CCCCOCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000184973968 408728234 /nfs/dbraw/zinc/72/82/34/408728234.db2.gz NZEUVGCQQHWJAQ-HUUCEWRRSA-N 0 1 315.458 1.290 10 0 DDAEMN CC[C@H]1CN(C(=O)NC2CCSCC2)CCN1C[C@@H](C)O ZINC000185012119 408738196 /nfs/dbraw/zinc/73/81/96/408738196.db2.gz SGJSODBFWDEPGV-OCCSQVGLSA-N 0 1 315.483 1.369 10 0 DDAEMN CC(C)N1CCC[C@H](N2CC[C@H](Oc3cccnc3)C2)C1=O ZINC000177961884 408746076 /nfs/dbraw/zinc/74/60/76/408746076.db2.gz MMNVAQNYWOZRCP-HOTGVXAUSA-N 0 1 303.406 1.934 10 0 DDAEMN CCOC(=O)N[C@H](C(=O)N1CCN2CCCC[C@H]2C1)C(C)C ZINC000250123189 408776162 /nfs/dbraw/zinc/77/61/62/408776162.db2.gz JGHDRRKAONIMHA-KBPBESRZSA-N 0 1 311.426 1.454 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@H]1CC ZINC000191869640 163207169 /nfs/dbraw/zinc/20/71/69/163207169.db2.gz DGYXDQGLHYTHCT-BZUAXINKSA-N 0 1 312.454 1.761 10 0 DDAEMN COc1ccccc1OCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195095267 163305297 /nfs/dbraw/zinc/30/52/97/163305297.db2.gz MSJVYPMFKJURSF-AWEZNQCLSA-N 0 1 304.390 1.771 10 0 DDAEMN Cc1cc(CNC(=O)N(C)CCC(=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000263428128 163966285 /nfs/dbraw/zinc/96/62/85/163966285.db2.gz YHOPVIDOMWURTD-UHFFFAOYSA-N 0 1 320.393 1.606 10 0 DDAEMN C[C@]1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397876484 418762381 /nfs/dbraw/zinc/76/23/81/418762381.db2.gz KCSUWZZIUDSFLN-HDMKZQKVSA-N 0 1 316.401 1.878 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccccc1Cl ZINC000380767207 418727515 /nfs/dbraw/zinc/72/75/15/418727515.db2.gz PNCXTJSFOJJATF-WDEREUQCSA-N 0 1 318.826 1.309 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)CCCOC)CCN1CCOC ZINC000181948591 263370434 /nfs/dbraw/zinc/37/04/34/263370434.db2.gz OMZGADVKMPJZOQ-LSDHHAIUSA-N 0 1 300.443 1.618 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Nc2ccnn2C(C)(C)C)C[C@@H]1C ZINC000190474695 278398835 /nfs/dbraw/zinc/39/88/35/278398835.db2.gz ZQGSKAXZMUVWBB-QWHCGFSZSA-N 0 1 323.441 1.557 10 0 DDAEMN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173943865 279188709 /nfs/dbraw/zinc/18/87/09/279188709.db2.gz FLPRYDXQBMDBHD-CVEARBPZSA-N 0 1 309.454 1.040 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc(F)ccc2O)CCN1C[C@H](C)O ZINC000246806395 282015708 /nfs/dbraw/zinc/01/57/08/282015708.db2.gz QWKRYPWHRYEHEC-AAEUAGOBSA-N 0 1 310.369 1.449 10 0 DDAEMN Clc1cnc(NC[C@@H]2COCCN2)c(Br)c1 ZINC000236056938 484178122 /nfs/dbraw/zinc/17/81/22/484178122.db2.gz UDWMDYSLAGTLGE-MRVPVSSYSA-N 0 1 306.591 1.898 10 0 DDAEMN CC(C)CC1(CNC(=O)[C@H](N)CCS(C)(=O)=O)CCC1 ZINC000236663065 484180080 /nfs/dbraw/zinc/18/00/80/484180080.db2.gz ABADCDWMQUZICJ-GFCCVEGCSA-N 0 1 304.456 1.081 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)COCc2ccnn2C)n[nH]1 ZINC000328793608 534552794 /nfs/dbraw/zinc/55/27/94/534552794.db2.gz BAFMEXQVUIETPV-ZDUSSCGKSA-N 0 1 318.381 1.117 10 0 DDAEMN O=C(C[C@@H]1CCCCC(=O)N1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000328686429 534687416 /nfs/dbraw/zinc/68/74/16/534687416.db2.gz YFKCRWXZYBPYIQ-GJZGRUSLSA-N 0 1 323.437 1.456 10 0 DDAEMN CN(C)C(=O)C1CCN(c2nc3[nH]cnc(=O)c3s2)CC1 ZINC000073637883 523971044 /nfs/dbraw/zinc/97/10/44/523971044.db2.gz AHXBPACPKXOCOH-UHFFFAOYSA-N 0 1 307.379 1.097 10 0 DDAEMN O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cn2cccn2)o1 ZINC000222533896 697757154 /nfs/dbraw/zinc/75/71/54/697757154.db2.gz OFIVSRJHCJSNLX-AWEZNQCLSA-N 0 1 300.362 1.348 10 0 DDAEMN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CN2CCC1CC2 ZINC000222544808 697757836 /nfs/dbraw/zinc/75/78/36/697757836.db2.gz WFOUHUHIGDNGRK-BXUZGUMPSA-N 0 1 318.373 1.393 10 0 DDAEMN COC[C@@H](N)C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000262247505 698461251 /nfs/dbraw/zinc/46/12/51/698461251.db2.gz IISXJIJOZOLPHQ-JKSUJKDBSA-N 0 1 322.405 1.177 10 0 DDAEMN O=C(C[C@@H]1COCCN1)NCC1CCC(C(F)(F)F)CC1 ZINC000262489863 698471603 /nfs/dbraw/zinc/47/16/03/698471603.db2.gz HODPFPOEFNLPJM-HTAVTVPLSA-N 0 1 308.344 1.850 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cc(F)ccc2OC)C1 ZINC000263499423 698510239 /nfs/dbraw/zinc/51/02/39/698510239.db2.gz KLVFNXWNDCHZCM-UHFFFAOYSA-N 0 1 310.369 1.861 10 0 DDAEMN Cn1cc(CN[C@@H](CO)Cc2ccccc2)c(Br)n1 ZINC000712420666 699262261 /nfs/dbraw/zinc/26/22/61/699262261.db2.gz NXZQJMMABJZTQV-CYBMUJFWSA-N 0 1 324.222 1.876 10 0 DDAEMN Cc1ccnc(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)n1 ZINC000886028029 708684284 /nfs/dbraw/zinc/68/42/84/708684284.db2.gz UOLQCSBDQPAJKI-INIZCTEOSA-N 0 1 313.405 1.899 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899071739 708974582 /nfs/dbraw/zinc/97/45/82/708974582.db2.gz HZJOIBNIENQQJV-GFCCVEGCSA-N 0 1 323.360 1.514 10 0 DDAEMN CCn1cc(O[C@@H]2COC[C@@H]2NCc2ccnc(C)c2)cn1 ZINC000888100598 709213560 /nfs/dbraw/zinc/21/35/60/709213560.db2.gz OTLKHADKJSPLOD-JKSUJKDBSA-N 0 1 302.378 1.542 10 0 DDAEMN O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000908154402 712699426 /nfs/dbraw/zinc/69/94/26/712699426.db2.gz CKYYHIPBHNZJAO-XQQFMLRXSA-N 0 1 319.409 1.581 10 0 DDAEMN CC[C@@H]1CN(C(=O)NC[C@@H]2CC=CCC2)CCN1C[C@H](C)O ZINC000248465791 282085982 /nfs/dbraw/zinc/08/59/82/282085982.db2.gz ZYJSEOBKPGNGJL-ARFHVFGLSA-N 0 1 309.454 1.829 10 0 DDAEMN Cc1cc(C)c(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)c(Cl)c1 ZINC000074731523 185013923 /nfs/dbraw/zinc/01/39/23/185013923.db2.gz RYMAIZQZIQGTII-UHFFFAOYSA-N 0 1 307.737 1.515 10 0 DDAEMN CCN[C@@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCOC ZINC000081944457 192345119 /nfs/dbraw/zinc/34/51/19/192345119.db2.gz VWVLJQWGNKHWQB-SWLSCSKDSA-N 0 1 315.435 1.796 10 0 DDAEMN COc1cc(C)c(S(=O)(=O)NCCc2cnc[nH]2)c(C)c1 ZINC000087545368 185227997 /nfs/dbraw/zinc/22/79/97/185227997.db2.gz UWTSZXYJTOETTO-UHFFFAOYSA-N 0 1 309.391 1.556 10 0 DDAEMN CC[NH+](CC)CCSc1nc(=NN)[n-]cc1Br ZINC000087894913 185235296 /nfs/dbraw/zinc/23/52/96/185235296.db2.gz QAOWYRVRAODGIE-UHFFFAOYSA-N 0 1 320.260 1.959 10 0 DDAEMN CC(C)COC[C@H](NC[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000184203433 539243977 /nfs/dbraw/zinc/24/39/77/539243977.db2.gz VNLCGGCOYCLZGU-CABCVRRESA-N 0 1 324.421 1.566 10 0 DDAEMN CN[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)CCC(=O)OC ZINC000081974583 192348414 /nfs/dbraw/zinc/34/84/14/192348414.db2.gz SZHYXOQRXFRFIM-ZFWWWQNUSA-N 0 1 311.403 1.240 10 0 DDAEMN CN[C@](CN(C)CCC(F)(F)F)(C(N)=O)c1ccccc1 ZINC000088434685 185250062 /nfs/dbraw/zinc/25/00/62/185250062.db2.gz LBMJDXFVJUSIGN-ZDUSSCGKSA-N 0 1 303.328 1.471 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(CCOC)CC(C)C)o1 ZINC000088544119 185256820 /nfs/dbraw/zinc/25/68/20/185256820.db2.gz YPMJOBWNVLFOKM-UHFFFAOYSA-N 0 1 318.439 1.682 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N(CCOC)[C@@H](C)CC)o1 ZINC000088544335 185256883 /nfs/dbraw/zinc/25/68/83/185256883.db2.gz GFZXKWROEUPJKD-LBPRGKRZSA-N 0 1 318.439 1.825 10 0 DDAEMN CCCn1ncnc1C[S@@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000088618330 185260185 /nfs/dbraw/zinc/26/01/85/185260185.db2.gz IKDXUCSCOZRYHV-NRFANRHFSA-N 0 1 304.379 1.454 10 0 DDAEMN Cc1ccccc1S(=O)(=O)N(CCO)C1CCN(C)CC1 ZINC000088718443 185263046 /nfs/dbraw/zinc/26/30/46/185263046.db2.gz OLQDZHCSUCAOKY-UHFFFAOYSA-N 0 1 312.435 1.072 10 0 DDAEMN CCC[N@@H+](CC(=O)NC(C)(C)CC)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090525055 185300210 /nfs/dbraw/zinc/30/02/10/185300210.db2.gz XXBLNZCGTPQLAA-RYUDHWBXSA-N 0 1 300.399 1.103 10 0 DDAEMN C[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000092435775 185318125 /nfs/dbraw/zinc/31/81/25/185318125.db2.gz RDFBBIZVLPVINL-AEJSXWLSSA-N 0 1 310.316 1.723 10 0 DDAEMN COCCNCC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000092495351 185322336 /nfs/dbraw/zinc/32/23/36/185322336.db2.gz PFIMYMVJWBUTGZ-UHFFFAOYSA-N 0 1 306.284 1.889 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccnc(Cl)c1 ZINC000092627676 185330277 /nfs/dbraw/zinc/33/02/77/185330277.db2.gz WPBARZHREPMAHH-JTQLQIEISA-N 0 1 303.815 1.450 10 0 DDAEMN C[C@@H](NC(=O)[C@H]1Cc2nc[nH]c2CN1)c1ccc(Cl)cc1 ZINC000092781398 185340583 /nfs/dbraw/zinc/34/05/83/185340583.db2.gz OTZBFRJFWBSEAB-NOZJJQNGSA-N 0 1 304.781 1.955 10 0 DDAEMN CC[C@H]1CN(C(=O)NOCc2ccccc2)CCN1C[C@@H](C)O ZINC000181705082 199341719 /nfs/dbraw/zinc/34/17/19/199341719.db2.gz KBUBTDSJNDUAIG-ZBFHGGJFSA-N 0 1 321.421 1.605 10 0 DDAEMN CCc1nc(S(=O)(=O)N(C)C2CCN(CC)CC2)c[nH]1 ZINC000070420162 190888914 /nfs/dbraw/zinc/88/89/14/190888914.db2.gz KDTQEFCYXDEROT-UHFFFAOYSA-N 0 1 300.428 1.077 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2cc(C)c(C)cc2N)n[nH]1 ZINC000080511689 192163116 /nfs/dbraw/zinc/16/31/16/192163116.db2.gz HCHLFVPTOUXXRG-UHFFFAOYSA-N 0 1 309.395 1.133 10 0 DDAEMN CNC(=O)c1c[nH]nc1[C@@]1(C)CCCN(Cc2ccccn2)C1 ZINC000072388729 191147627 /nfs/dbraw/zinc/14/76/27/191147627.db2.gz TZKWMZUWRBJDPK-KRWDZBQOSA-N 0 1 313.405 1.718 10 0 DDAEMN CCOC(=O)[C@H]1CN[C@H](Cc2ccc(OC)cc2)C(C)(C)C1=O ZINC000039131003 352298435 /nfs/dbraw/zinc/29/84/35/352298435.db2.gz GMLGGPOLRNWDMB-LSDHHAIUSA-N 0 1 319.401 1.984 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2ccnn2C(C)C)CCN1C[C@@H](C)O ZINC000173272707 198204180 /nfs/dbraw/zinc/20/41/80/198204180.db2.gz RFXXJDAGRQQPRC-KGLIPLIRSA-N 0 1 323.441 1.773 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)C[C@H]1C ZINC000174328829 198320298 /nfs/dbraw/zinc/32/02/98/198320298.db2.gz ZXSARSDFZJAEMI-ZIAGYGMSSA-N 0 1 315.417 1.705 10 0 DDAEMN NC(=O)c1cnc(Nc2ccc3n[nH]nc3c2)nc1NC1CCC1 ZINC000088369390 353754894 /nfs/dbraw/zinc/75/48/94/353754894.db2.gz FQRZDZDDKDLPOZ-UHFFFAOYSA-N 0 1 324.348 1.555 10 0 DDAEMN NC(=O)c1cnc(Nc2ccc3nn[nH]c3c2)nc1NC1CCC1 ZINC000088369390 353754896 /nfs/dbraw/zinc/75/48/96/353754896.db2.gz FQRZDZDDKDLPOZ-UHFFFAOYSA-N 0 1 324.348 1.555 10 0 DDAEMN NC(=O)Cc1nn(CC2CCN(CCF)CC2)c2ccccc12 ZINC000117734913 353994771 /nfs/dbraw/zinc/99/47/71/353994771.db2.gz DJQVIJABMXZIFQ-UHFFFAOYSA-N 0 1 318.396 1.746 10 0 DDAEMN CC(=O)Nc1nnc(S(=O)(=O)NCc2cccs2)s1 ZINC000074985969 191403218 /nfs/dbraw/zinc/40/32/18/191403218.db2.gz WFEDYFYPNRKYSG-UHFFFAOYSA-N 0 1 318.405 1.037 10 0 DDAEMN O=C1CC[C@H](CNCc2cc(F)ccc2Br)N1 ZINC000079930406 191985283 /nfs/dbraw/zinc/98/52/83/191985283.db2.gz GDOWKPIRUZAZNL-SNVBAGLBSA-N 0 1 301.159 1.956 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)CCOCC)n1 ZINC000080869000 192196325 /nfs/dbraw/zinc/19/63/25/192196325.db2.gz ICHOLTHDNUKXAI-SECBINFHSA-N 0 1 307.441 1.592 10 0 DDAEMN C[C@H]1C[C@H](C(=O)N2CCN(C(=O)CN(C)C)CC2)CC(C)(C)C1 ZINC000183138334 291102854 /nfs/dbraw/zinc/10/28/54/291102854.db2.gz ZJRZGBPREAQREM-GJZGRUSLSA-N 0 1 323.481 1.681 10 0 DDAEMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCNCC1 ZINC000236906482 202062649 /nfs/dbraw/zinc/06/26/49/202062649.db2.gz QKJNPVARINWHAJ-GFCCVEGCSA-N 0 1 301.394 1.756 10 0 DDAEMN CCC(CC)CN(CC)S(=O)(=O)c1n[nH]cc1CNC ZINC000088994172 192688090 /nfs/dbraw/zinc/68/80/90/192688090.db2.gz VUUKTDPMRXPFNJ-UHFFFAOYSA-N 0 1 302.444 1.576 10 0 DDAEMN Cc1nc2sccn2c1CNCC(C)(C)S(C)(=O)=O ZINC000093523368 193264380 /nfs/dbraw/zinc/26/43/80/193264380.db2.gz SYSMYKOLIOKMCM-UHFFFAOYSA-N 0 1 301.437 1.617 10 0 DDAEMN COC(=O)[C@@]1(N)CCC[C@H]1CCSc1nnc(C)s1 ZINC000093629688 193275847 /nfs/dbraw/zinc/27/58/47/193275847.db2.gz ITGCVEHQHDOGIC-JOYOIKCWSA-N 0 1 301.437 1.999 10 0 DDAEMN CS(=O)(=O)N1CCC[C@H](CN2Cc3ccc(N)cc3C2)C1 ZINC000093697705 193292930 /nfs/dbraw/zinc/29/29/30/193292930.db2.gz SYYPVQMHGLIHSB-GFCCVEGCSA-N 0 1 309.435 1.256 10 0 DDAEMN CN(CCS(C)(=O)=O)c1c(C(N)=S)cnc2ccccc21 ZINC000094301774 193358490 /nfs/dbraw/zinc/35/84/90/193358490.db2.gz URYBLNFTUZWWRR-UHFFFAOYSA-N 0 1 323.443 1.350 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000094358385 193364041 /nfs/dbraw/zinc/36/40/41/193364041.db2.gz AIEZOKNMXJGTCO-CYBMUJFWSA-N 0 1 309.435 1.354 10 0 DDAEMN C[C@H]([NH3+])c1nc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)cs1 ZINC000094223124 193350664 /nfs/dbraw/zinc/35/06/64/193350664.db2.gz GTFGTMSGXHFAQP-AJAUBTJJSA-N 0 1 311.285 1.298 10 0 DDAEMN COCc1nc([C@H]2CSCCO2)[nH]c(=O)c1Br ZINC000094500834 193374267 /nfs/dbraw/zinc/37/42/67/193374267.db2.gz WBTDVWQTPRBCJI-SSDOTTSWSA-N 0 1 321.196 1.896 10 0 DDAEMN C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000094549401 193378912 /nfs/dbraw/zinc/37/89/12/193378912.db2.gz ZDTONOPAKJJTRC-WCBMZHEXSA-N 0 1 313.195 1.964 10 0 DDAEMN C[C@@H](N[C@H](CO)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000182928420 296159716 /nfs/dbraw/zinc/15/97/16/296159716.db2.gz ZXLGFJNTIHPGCT-DGCLKSJQSA-N 0 1 307.394 1.322 10 0 DDAEMN C[C@@H](CN1CCN(C)CC1)OC(=O)c1ccc2c(c1)OCO2 ZINC000019721919 182138551 /nfs/dbraw/zinc/13/85/51/182138551.db2.gz UDTGCMBLLDYHQC-LBPRGKRZSA-N 0 1 306.362 1.208 10 0 DDAEMN O=S(=O)([N-]C1[C@H]2C[NH2+]C[C@@H]12)c1sccc1Br ZINC000042524549 183280109 /nfs/dbraw/zinc/28/01/09/183280109.db2.gz NBOHUSNFDNPPMP-OFWQXNEASA-N 0 1 323.237 1.007 10 0 DDAEMN CC(C)[C@H](CNC(=O)Cc1cccs1)N1CCN(C)CC1 ZINC000042582217 183287069 /nfs/dbraw/zinc/28/70/69/183287069.db2.gz WBYNXNZGICATSG-HNNXBMFYSA-N 0 1 309.479 1.679 10 0 DDAEMN NCc1ccc(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)s1 ZINC000043428256 183361788 /nfs/dbraw/zinc/36/17/88/183361788.db2.gz CVCICLZVGQGGSB-QWRGUYRKSA-N 0 1 302.421 1.149 10 0 DDAEMN C[C@H](NC(=O)C=Cc1ccc(Br)o1)c1nn[nH]n1 ZINC000044887571 183447042 /nfs/dbraw/zinc/44/70/42/183447042.db2.gz USFBLHXIXHZDRW-QVQDZQDPSA-N 0 1 312.127 1.446 10 0 DDAEMN CC(C)CN(C(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1)C1CC1 ZINC000105824208 194136972 /nfs/dbraw/zinc/13/69/72/194136972.db2.gz DRSSDONISILACB-LSDHHAIUSA-N 0 1 311.470 1.020 10 0 DDAEMN CCN(CC)C(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799523 194132146 /nfs/dbraw/zinc/13/21/46/194132146.db2.gz VKOHBKYHDKOCEI-CQSZACIVSA-N 0 1 305.426 1.246 10 0 DDAEMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000105884218 194157319 /nfs/dbraw/zinc/15/73/19/194157319.db2.gz XSDVWXRXCCWBEB-CVEARBPZSA-N 0 1 321.469 1.883 10 0 DDAEMN C[C@H](C(=O)N1CCCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000105910093 194166713 /nfs/dbraw/zinc/16/67/13/194166713.db2.gz RJKLFDSICZXRJZ-CQSZACIVSA-N 0 1 317.437 1.754 10 0 DDAEMN COCCNCC(=O)Nc1c(F)cc(F)cc1Br ZINC000105996395 194177526 /nfs/dbraw/zinc/17/75/26/194177526.db2.gz HYSBZASKPXSNQG-UHFFFAOYSA-N 0 1 323.137 1.902 10 0 DDAEMN C[C@@H](CNC(=O)[C@H](Cc1ccccc1)N(C)C)Cn1cccn1 ZINC000106458784 194217587 /nfs/dbraw/zinc/21/75/87/194217587.db2.gz WDLQMKISOCDLBC-RDJZCZTQSA-N 0 1 314.433 1.808 10 0 DDAEMN CC(C)N(CC(N)=O)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000057951139 184064073 /nfs/dbraw/zinc/06/40/73/184064073.db2.gz AZLKQYBOOYDYCH-AWEZNQCLSA-N 0 1 314.813 1.413 10 0 DDAEMN CNS(=O)(=O)NC[C@H](c1ccco1)N1CCCCCC1 ZINC000062356677 184232303 /nfs/dbraw/zinc/23/23/03/184232303.db2.gz HAZYYFJWLHMOAX-GFCCVEGCSA-N 0 1 301.412 1.251 10 0 DDAEMN Cc1csc(SCc2nc3c(cnn3C)c(NN)n2)n1 ZINC000063084341 184269828 /nfs/dbraw/zinc/26/98/28/184269828.db2.gz ODKDQPSCOVNJFF-UHFFFAOYSA-N 0 1 307.408 1.706 10 0 DDAEMN COc1ccc2c(c1)[C@H](N[C@H]1CCCS(=O)(=O)C1)CCO2 ZINC000069142404 184501330 /nfs/dbraw/zinc/50/13/30/184501330.db2.gz WMANVKUFKXCEGA-SMDDNHRTSA-N 0 1 311.403 1.686 10 0 DDAEMN CC(C)S(=O)(=O)CCCN1CCC[C@H](Cn2cncn2)C1 ZINC000120506508 195180869 /nfs/dbraw/zinc/18/08/69/195180869.db2.gz BWZDVRJSIGVEKC-AWEZNQCLSA-N 0 1 314.455 1.203 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)o1 ZINC000120660112 195210643 /nfs/dbraw/zinc/21/06/43/195210643.db2.gz CLXXUDCSACUCMJ-CHWSQXEVSA-N 0 1 310.394 1.343 10 0 DDAEMN NNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000034955865 406966225 /nfs/dbraw/zinc/96/62/25/406966225.db2.gz VVSLEDJGWQYYLJ-UHFFFAOYSA-N 0 1 319.995 1.908 10 0 DDAEMN O=C(CN1CCC(Cn2cccn2)CC1)N1CCCCCC1 ZINC000090473178 407168432 /nfs/dbraw/zinc/16/84/32/407168432.db2.gz VAUQREJXDIPNMH-UHFFFAOYSA-N 0 1 304.438 1.998 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869692 407356260 /nfs/dbraw/zinc/35/62/60/407356260.db2.gz HXHDLQPYIHPJEE-HNNXBMFYSA-N 0 1 321.469 1.185 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3cccc(C)n3)CCO2)n[nH]1 ZINC000124742523 407368561 /nfs/dbraw/zinc/36/85/61/407368561.db2.gz RURIBAQKDFDNQH-LLVKDONJSA-N 0 1 302.338 1.422 10 0 DDAEMN COC(=O)c1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1F ZINC000151728670 407485610 /nfs/dbraw/zinc/48/56/10/407485610.db2.gz QLZKJWZJRQYWRI-AWEZNQCLSA-N 0 1 322.380 1.519 10 0 DDAEMN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000113305574 407492493 /nfs/dbraw/zinc/49/24/93/407492493.db2.gz NVHQJASAMQESMX-STQMWFEESA-N 0 1 312.410 1.991 10 0 DDAEMN CNC(=O)c1cccc(CN2CCN(CCOC)[C@H](C)C2)c1 ZINC000113932462 407529548 /nfs/dbraw/zinc/52/95/48/407529548.db2.gz XSAQTUHWRXKIQB-CQSZACIVSA-N 0 1 305.422 1.199 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCCN1CC)CC2 ZINC000114862711 407628123 /nfs/dbraw/zinc/62/81/23/407628123.db2.gz BIAPEJBNPGXXFY-OLZOCXBDSA-N 0 1 305.426 1.146 10 0 DDAEMN CCc1cc2c(ncnc2N(C)CC(=O)N2CCNCC2)s1 ZINC000261995158 407705143 /nfs/dbraw/zinc/70/51/43/407705143.db2.gz UGHYBHVUODQQLA-UHFFFAOYSA-N 0 1 319.434 1.122 10 0 DDAEMN COCCN1CCN(Cc2cc(F)cc3c2OCOC3)C[C@H]1C ZINC000171569344 407706554 /nfs/dbraw/zinc/70/65/54/407706554.db2.gz WHJLBFBZPZIOAV-CYBMUJFWSA-N 0 1 324.396 1.845 10 0 DDAEMN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H](N)COC ZINC000262020452 407714951 /nfs/dbraw/zinc/71/49/51/407714951.db2.gz CVCLXYNERHTPMZ-CYBMUJFWSA-N 0 1 307.394 1.146 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCCN1CCOC1=O ZINC000171617995 407720595 /nfs/dbraw/zinc/72/05/95/407720595.db2.gz NQULMVZYMYRODW-OAHLLOKOSA-N 0 1 319.405 1.118 10 0 DDAEMN COC[C@H](N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000262173013 407756878 /nfs/dbraw/zinc/75/68/78/407756878.db2.gz AXDAVXCEFUJRDH-LBPRGKRZSA-N 0 1 302.777 1.847 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000262199042 407762743 /nfs/dbraw/zinc/76/27/43/407762743.db2.gz CVOUCQQMMXZHBG-STQMWFEESA-N 0 1 314.332 1.755 10 0 DDAEMN CCOCCN1CCN(c2ccc(C(=O)OC)nn2)C[C@H]1CC ZINC000116871385 407788555 /nfs/dbraw/zinc/78/85/55/407788555.db2.gz BEZBBMKWKBOGDQ-CYBMUJFWSA-N 0 1 322.409 1.200 10 0 DDAEMN CCO[C@H]1C[C@@H](NC(=O)CN(CC)C2CC2)C12CCOCC2 ZINC000187095780 407821792 /nfs/dbraw/zinc/82/17/92/407821792.db2.gz GWGCXEBYEHNCEL-CABCVRRESA-N 0 1 310.438 1.561 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(C)c(O)c3)CCO2)n[nH]1 ZINC000180345791 407877311 /nfs/dbraw/zinc/87/73/11/407877311.db2.gz YDTUEROWSHTGLU-AWEZNQCLSA-N 0 1 316.361 1.270 10 0 DDAEMN CCOCCN1CCN([C@@H](CC)C(=O)OCC)C[C@@H]1CC ZINC000173680910 407893177 /nfs/dbraw/zinc/89/31/77/407893177.db2.gz HVYVJWWKIHQWCL-GJZGRUSLSA-N 0 1 300.443 1.761 10 0 DDAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2cccc(OC)c2)CC1 ZINC000118858510 407958784 /nfs/dbraw/zinc/95/87/84/407958784.db2.gz ORNFMRKWPMYGRS-HNNXBMFYSA-N 0 1 321.421 1.022 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181176948 407962519 /nfs/dbraw/zinc/96/25/19/407962519.db2.gz XSTRDHGDZAIXOP-HOCLYGCPSA-N 0 1 309.454 1.929 10 0 DDAEMN CCCCS[C@H](C)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262795898 407933322 /nfs/dbraw/zinc/93/33/22/407933322.db2.gz LQRYENIJICADFJ-PNESKVBLSA-N 0 1 316.467 1.962 10 0 DDAEMN O=C(CN1CCCCCC1=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181381910 407988368 /nfs/dbraw/zinc/98/83/68/407988368.db2.gz SIBKDFBKVHMOEX-GFCCVEGCSA-N 0 1 305.382 1.261 10 0 DDAEMN CCCCOC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000119217944 408014057 /nfs/dbraw/zinc/01/40/57/408014057.db2.gz STJBZZRMEYYQNJ-OAHLLOKOSA-N 0 1 322.453 1.660 10 0 DDAEMN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1N1CCOCC1 ZINC000245754709 408061139 /nfs/dbraw/zinc/06/11/39/408061139.db2.gz OJZZHPCNNPMHFN-GDBMZVCRSA-N 0 1 306.454 1.791 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000263220813 408061771 /nfs/dbraw/zinc/06/17/71/408061771.db2.gz YRQCNEXCPRUTIT-UHFFFAOYSA-N 0 1 315.373 1.835 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(C(C)C)CC2)C1 ZINC000263219691 408062591 /nfs/dbraw/zinc/06/25/91/408062591.db2.gz KGSNJGZVIHMKSW-UHFFFAOYSA-N 0 1 311.426 1.659 10 0 DDAEMN CC[C@@H]1CN(c2cncc(OCC(C)C)n2)CCN1C[C@H](C)O ZINC000246091333 408139299 /nfs/dbraw/zinc/13/92/99/408139299.db2.gz NGAZGFWZWIATKC-LSDHHAIUSA-N 0 1 322.453 1.793 10 0 DDAEMN Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2n[nH]c3ccccc32)cn1 ZINC000190022124 408148551 /nfs/dbraw/zinc/14/85/51/408148551.db2.gz ONXWXHOYHHSBFI-DZGCQCFKSA-N 0 1 311.345 1.556 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000246156508 408157923 /nfs/dbraw/zinc/15/79/23/408157923.db2.gz LJOJOKQYCKKWCP-SMDDNHRTSA-N 0 1 300.399 1.833 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CCO[C@@H](C)CC(C)C)CCO2)n[nH]1 ZINC000121299107 408180463 /nfs/dbraw/zinc/18/04/63/408180463.db2.gz DQNFIJNUHMUONA-GXTWGEPZSA-N 0 1 324.425 1.854 10 0 DDAEMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000246723122 408325314 /nfs/dbraw/zinc/32/53/14/408325314.db2.gz GOQMGFWTGBHIQS-CJNGLKHVSA-N 0 1 318.465 1.912 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)CC(C)C)CCO2)n[nH]1 ZINC000133312593 162055822 /nfs/dbraw/zinc/05/58/22/162055822.db2.gz UQUCTPPAVFATEW-RYUDHWBXSA-N 0 1 309.414 1.885 10 0 DDAEMN CCc1ccsc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173530813 162345045 /nfs/dbraw/zinc/34/50/45/162345045.db2.gz FYGFJEJEQJVAHP-NSHDSACASA-N 0 1 306.391 1.951 10 0 DDAEMN COCc1ccccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173540639 162347315 /nfs/dbraw/zinc/34/73/15/162347315.db2.gz CUWICPAEFVZRCV-CQSZACIVSA-N 0 1 316.361 1.473 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173549038 162347780 /nfs/dbraw/zinc/34/77/80/162347780.db2.gz UKEATRGFPPQHMD-ZDUSSCGKSA-N 0 1 304.325 1.395 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cccc4[nH]ccc43)CCO2)n[nH]1 ZINC000176473168 408375286 /nfs/dbraw/zinc/37/52/86/408375286.db2.gz HGVAMSZQCKWRQH-CQSZACIVSA-N 0 1 311.345 1.808 10 0 DDAEMN CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCN1CCOC ZINC000247047324 408397726 /nfs/dbraw/zinc/39/77/26/408397726.db2.gz FDNTWCSQHMFPNI-IAGOWNOFSA-N 0 1 322.449 1.469 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1C[C@H](C)O ZINC000247072287 408402890 /nfs/dbraw/zinc/40/28/90/408402890.db2.gz GOYSUYLUABKQOL-JKSUJKDBSA-N 0 1 313.486 1.409 10 0 DDAEMN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](N(C)C)C3)ccc2O1 ZINC000247869147 408513724 /nfs/dbraw/zinc/51/37/24/408513724.db2.gz XGRDPUFAFKKECQ-DGCLKSJQSA-N 0 1 310.419 1.335 10 0 DDAEMN c1cn(-c2ccc(CN3CCC[C@H](n4cncn4)C3)cn2)cn1 ZINC000177123019 408525406 /nfs/dbraw/zinc/52/54/06/408525406.db2.gz VJPFXDGPTBGDMG-HNNXBMFYSA-N 0 1 309.377 1.696 10 0 DDAEMN CC[C@@H](O)CN1CCN(c2ncccc2C(=O)OC(C)C)CC1 ZINC000184119232 408551277 /nfs/dbraw/zinc/55/12/77/408551277.db2.gz MNCHUDHXSHFAGT-CQSZACIVSA-N 0 1 321.421 1.540 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccsc2)CCN1C[C@H](C)O ZINC000248450093 408569254 /nfs/dbraw/zinc/56/92/54/408569254.db2.gz IPHFPMLEOSXQQX-GXTWGEPZSA-N 0 1 311.451 1.735 10 0 DDAEMN CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185157117 408772231 /nfs/dbraw/zinc/77/22/31/408772231.db2.gz ALHOGBOQUAFYSI-CVEARBPZSA-N 0 1 320.433 1.241 10 0 DDAEMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185157117 408772233 /nfs/dbraw/zinc/77/22/33/408772233.db2.gz ALHOGBOQUAFYSI-CVEARBPZSA-N 0 1 320.433 1.241 10 0 DDAEMN COc1cccc(NC(=O)CCN2CCCNC(=O)[C@H]2C)c1 ZINC000189314837 163095641 /nfs/dbraw/zinc/09/56/41/163095641.db2.gz UNMCAZVDHKERRM-GFCCVEGCSA-N 0 1 305.378 1.234 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000195047567 163304341 /nfs/dbraw/zinc/30/43/41/163304341.db2.gz NLSGJCYGRHWZLE-UHFFFAOYSA-N 0 1 314.437 1.962 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1cccc(Cl)c1 ZINC000313371891 409805168 /nfs/dbraw/zinc/80/51/68/409805168.db2.gz PYHUCHNMUWACSX-GXFFZTMASA-N 0 1 318.826 1.309 10 0 DDAEMN Cn1ccnc1[C@H]1CN(C(=O)c2cccc3n[nH]cc32)CCN1C ZINC000328640522 409944228 /nfs/dbraw/zinc/94/42/28/409944228.db2.gz XJRAKNUSFPSJMK-OAHLLOKOSA-N 0 1 324.388 1.425 10 0 DDAEMN CCc1cc(=O)n2nc(N3CCN(C)C[C@H]3C(C)C)sc2n1 ZINC000301331228 410699248 /nfs/dbraw/zinc/69/92/48/410699248.db2.gz AMVCUJUWFXOEIP-LBPRGKRZSA-N 0 1 321.450 1.490 10 0 DDAEMN CCn1c(C)nnc1CN1CCN(CCc2ccccc2)CC1 ZINC000195045013 222189628 /nfs/dbraw/zinc/18/96/28/222189628.db2.gz WDMBPEZRESFKSA-UHFFFAOYSA-N 0 1 313.449 1.967 10 0 DDAEMN COCc1ccccc1C(=O)N1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583619030 422205963 /nfs/dbraw/zinc/20/59/63/422205963.db2.gz WKDHTYJBNAOBAP-INIZCTEOSA-N 0 1 316.361 1.075 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1c1c[nH]nn1 ZINC000616597014 422513437 /nfs/dbraw/zinc/51/34/37/422513437.db2.gz DQBJJVKFBUJRPM-LBPRGKRZSA-N 0 1 311.386 1.093 10 0 DDAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000634851186 422684190 /nfs/dbraw/zinc/68/41/90/422684190.db2.gz XHYIKBYPUWYEAM-SYAUCNOPSA-N 0 1 316.401 1.591 10 0 DDAEMN CC(C)(C)OC(=O)[C@H]1CN([C@H](C(=O)[O-])c2ccsc2)[C@H]1[NH3+] ZINC000100339117 278455878 /nfs/dbraw/zinc/45/58/78/278455878.db2.gz RUAXIWPBNOJHME-GARJFASQSA-N 0 1 312.391 1.432 10 0 DDAEMN Cc1ccc(C)c(NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000105933202 281051701 /nfs/dbraw/zinc/05/17/01/281051701.db2.gz KBQIRUZPJWBKDG-GJZGRUSLSA-N 0 1 305.422 1.551 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000246672592 282006298 /nfs/dbraw/zinc/00/62/98/282006298.db2.gz AIFWNMVPFHMLOK-RDJZCZTQSA-N 0 1 304.434 1.841 10 0 DDAEMN CC[C@H]1CN(C(=O)Nc2nnc(C)s2)CCN1C[C@H](C)O ZINC000247552514 282059192 /nfs/dbraw/zinc/05/91/92/282059192.db2.gz QCDCZWGFTKZNDC-ONGXEEELSA-N 0 1 313.427 1.155 10 0 DDAEMN CN(C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248620048 289075765 /nfs/dbraw/zinc/07/57/65/289075765.db2.gz MUPGBKKASSMMAA-XQQFMLRXSA-N 0 1 311.426 1.310 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3ccccc3N(C)C)CCO2)n[nH]1 ZINC000173674224 293125045 /nfs/dbraw/zinc/12/50/45/293125045.db2.gz QPUAYDVDYLMDKL-HNNXBMFYSA-N 0 1 301.394 1.753 10 0 DDAEMN C[C@@H](O)CN1CCN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000173947472 298256383 /nfs/dbraw/zinc/25/63/83/298256383.db2.gz WYGUJARFLIQUTO-VXGBXAGGSA-N 0 1 312.360 1.421 10 0 DDAEMN O=C(C[C@@H]1CCCCC(=O)N1)N1CC[C@H](CN2CCOCC2)C1 ZINC000328686428 534687429 /nfs/dbraw/zinc/68/74/29/534687429.db2.gz YFKCRWXZYBPYIQ-CABCVRRESA-N 0 1 323.437 1.456 10 0 DDAEMN Cc1ccc(N)cc1S(=O)(=O)N[C@H](CC(C)C)CN(C)C ZINC000049554481 696225396 /nfs/dbraw/zinc/22/53/96/696225396.db2.gz ZVWJXKXCLHZFGH-CQSZACIVSA-N 0 1 313.467 1.832 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CCN1C[C@@H](C)O ZINC000173361919 697377282 /nfs/dbraw/zinc/37/72/82/697377282.db2.gz AJDAEBYJBFEEER-CZUORRHYSA-N 0 1 319.405 1.172 10 0 DDAEMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nnc2ccccc2c1O ZINC000176283337 697403736 /nfs/dbraw/zinc/40/37/36/697403736.db2.gz IOYCFKBBXSIYCY-LBPRGKRZSA-N 0 1 324.344 1.088 10 0 DDAEMN CCOC1CC(CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000191914151 697616818 /nfs/dbraw/zinc/61/68/18/697616818.db2.gz HIEMDPZPQOUGQZ-WXRRBKDZSA-N 0 1 308.382 1.218 10 0 DDAEMN O=S(=O)(c1ccc(NC[C@@H]2COCCN2)cc1)C(F)F ZINC000236145593 697795361 /nfs/dbraw/zinc/79/53/61/697795361.db2.gz LLWKFUQZVOEXKM-SNVBAGLBSA-N 0 1 306.334 1.083 10 0 DDAEMN COCCN1CCN(CN2C[C@@H](CC(C)C)CC2=O)C[C@@H]1C ZINC000245445952 698333504 /nfs/dbraw/zinc/33/35/04/698333504.db2.gz KTEHNZKAMUCJJK-HOTGVXAUSA-N 0 1 311.470 1.491 10 0 DDAEMN CC[C@H]1CN(C(=O)Cc2csc(C)n2)CCN1C[C@H](C)O ZINC000246793453 698355377 /nfs/dbraw/zinc/35/53/77/698355377.db2.gz JMYCOINAILYZMK-FZMZJTMJSA-N 0 1 311.451 1.298 10 0 DDAEMN COC(=O)Cn1ccc(NS(=O)(=O)/C=C\c2ccccc2)n1 ZINC000255429905 698418342 /nfs/dbraw/zinc/41/83/42/698418342.db2.gz FWYNKRRYEZNFRO-NTMALXAHSA-N 0 1 321.358 1.469 10 0 DDAEMN CCC[C@@H](C)CS(=O)(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000262479961 698471643 /nfs/dbraw/zinc/47/16/43/698471643.db2.gz RAWIRZAUIYOKDE-PNESKVBLSA-N 0 1 320.455 1.280 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(C3CC3)cc2)CCO1 ZINC000263508320 698510864 /nfs/dbraw/zinc/51/08/64/698510864.db2.gz MQRQQVGAMVDDDZ-QGZVFWFLSA-N 0 1 318.417 1.781 10 0 DDAEMN C[C@@H](CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000263528326 698512355 /nfs/dbraw/zinc/51/23/55/698512355.db2.gz VEAMMFNPIGZKFC-XJKSGUPXSA-N 0 1 324.396 1.646 10 0 DDAEMN COC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)s2)CNCCO1 ZINC000710775123 699254970 /nfs/dbraw/zinc/25/49/70/699254970.db2.gz OKSIXRIMLCHMIR-TVQRCGJNSA-N 0 1 318.826 1.584 10 0 DDAEMN Cc1nc([C@H]2OCC[C@H]2CNc2ccnc(C3CC3)n2)n[nH]1 ZINC000888094472 709211099 /nfs/dbraw/zinc/21/10/99/709211099.db2.gz SZVIOTOWZCHLKE-AAEUAGOBSA-N 0 1 300.366 1.970 10 0 DDAEMN Cc1ccn(C)c1C(=O)NC[C@@H]1CCO[C@@H]1c1n[nH]c(C)n1 ZINC000888093568 709211245 /nfs/dbraw/zinc/21/12/45/709211245.db2.gz HHVXNXCAVZYIIU-AAEUAGOBSA-N 0 1 303.366 1.268 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NC/C=C\c2ccccc2)[N@@H+]1C1CC1 ZINC000888101895 709214168 /nfs/dbraw/zinc/21/41/68/709214168.db2.gz RAKUNJZPQIJLJJ-GTEGOMCXSA-N 0 1 314.385 1.896 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NC/C=C\c2ccccc2)[N@H+]1C1CC1 ZINC000888101895 709214170 /nfs/dbraw/zinc/21/41/70/709214170.db2.gz RAKUNJZPQIJLJJ-GTEGOMCXSA-N 0 1 314.385 1.896 10 0 DDAEMN O=C(c1ccnc(OC(F)F)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000900389260 709568835 /nfs/dbraw/zinc/56/88/35/709568835.db2.gz DHYQHULYPFEYJO-QMMMGPOBSA-N 0 1 310.264 1.173 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CCN1C[C@H](C)O ZINC000248457874 282084898 /nfs/dbraw/zinc/08/48/98/282084898.db2.gz PIJURTFBKKVNCA-YWPYICTPSA-N 0 1 322.453 1.434 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1Cl ZINC000074731589 185014225 /nfs/dbraw/zinc/01/42/25/185014225.db2.gz RNSWFDUFGUVUEA-UHFFFAOYSA-N 0 1 314.128 1.551 10 0 DDAEMN COc1ccc(C)cc1[C@@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000081902958 192336732 /nfs/dbraw/zinc/33/67/32/192336732.db2.gz PCZUPBHOKKNGKH-AAEUAGOBSA-N 0 1 301.408 1.060 10 0 DDAEMN CN[C@H](CS(=O)(=O)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000081929886 192341571 /nfs/dbraw/zinc/34/15/71/192341571.db2.gz WHAMFVGPRUNQLH-CYBMUJFWSA-N 0 1 313.419 1.789 10 0 DDAEMN COCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000079306318 185164342 /nfs/dbraw/zinc/16/43/42/185164342.db2.gz PMZQPGRITPOPIM-CHWSQXEVSA-N 0 1 324.421 1.896 10 0 DDAEMN N[C@@]1(C(=O)NCc2cc(Br)cs2)CCOC1 ZINC000082986287 185210476 /nfs/dbraw/zinc/21/04/76/185210476.db2.gz WPGMCBKBQHFYNU-JTQLQIEISA-N 0 1 305.197 1.245 10 0 DDAEMN O=C1CNCCCN1CCOc1ccc(Br)cc1 ZINC000087882228 185234506 /nfs/dbraw/zinc/23/45/06/185234506.db2.gz MGHHEMGFBSHBFL-UHFFFAOYSA-N 0 1 313.195 1.650 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@H]1CCc2ccccc2[C@H]1NC ZINC000081977177 192348493 /nfs/dbraw/zinc/34/84/93/192348493.db2.gz QYOCLZQPLXIJAI-DZGCQCFKSA-N 0 1 311.403 1.240 10 0 DDAEMN Nc1c2nccnc2sc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000088642430 185261318 /nfs/dbraw/zinc/26/13/18/185261318.db2.gz HGZSJLVJZLLDCY-MRVPVSSYSA-N 0 1 303.391 1.240 10 0 DDAEMN CN[C@@H](c1ccc(OC)cc1)[C@H](C)S(=O)(=O)CCCOC ZINC000081986292 192349796 /nfs/dbraw/zinc/34/97/96/192349796.db2.gz KOWQIQBATULSMM-SWLSCSKDSA-N 0 1 315.435 1.796 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)C1CCC(C)CC1 ZINC000088887108 185269522 /nfs/dbraw/zinc/26/95/22/185269522.db2.gz LWQDANCUGYVRPU-UHFFFAOYSA-N 0 1 301.412 1.410 10 0 DDAEMN CN[C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)C1CCOCC1 ZINC000081989689 192351147 /nfs/dbraw/zinc/35/11/47/192351147.db2.gz YSQFLPSWARGAAT-HZPDHXFCSA-N 0 1 309.431 1.856 10 0 DDAEMN CCNCc1cn(Cc2cc(Cl)cc3c2OCOC3)nn1 ZINC000090296094 185289997 /nfs/dbraw/zinc/28/99/97/185289997.db2.gz KJSHVHRSEKRUSO-UHFFFAOYSA-N 0 1 308.769 1.956 10 0 DDAEMN COc1cc([C@H]2NC[C@H](C)S2)cc(Cl)c1OCC(N)=O ZINC000090341145 185292068 /nfs/dbraw/zinc/29/20/68/185292068.db2.gz QAGMVVVKBSOYRJ-CPFSXVBKSA-N 0 1 316.810 1.936 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(C)c2)CCN1C[C@H](C)O ZINC000255145755 282237205 /nfs/dbraw/zinc/23/72/05/282237205.db2.gz SVLHENJWRDITHF-HXHJPBPVSA-N 0 1 317.433 1.707 10 0 DDAEMN COCCNCC(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000092495355 185322342 /nfs/dbraw/zinc/32/23/42/185322342.db2.gz HLJVMFFZNXVGCY-UHFFFAOYSA-N 0 1 300.742 1.301 10 0 DDAEMN COCCNCC(=O)Nc1c2nsnc2ccc1Cl ZINC000092510535 185323280 /nfs/dbraw/zinc/32/32/80/185323280.db2.gz HYNDGOFKFAYIFD-UHFFFAOYSA-N 0 1 300.771 1.519 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000092671196 185333273 /nfs/dbraw/zinc/33/32/73/185333273.db2.gz SWMAUDZKAWIEGV-SECBINFHSA-N 0 1 318.830 1.032 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cnccc1Cl ZINC000092627824 185330567 /nfs/dbraw/zinc/33/05/67/185330567.db2.gz QDMSENWEJWAGCI-JTQLQIEISA-N 0 1 303.815 1.450 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255511256 282261919 /nfs/dbraw/zinc/26/19/19/282261919.db2.gz PHGVKKXPIMVIGJ-DSYXLKISSA-N 0 1 309.435 1.380 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2nnc[nH]2)CC1 ZINC000616665851 362776169 /nfs/dbraw/zinc/77/61/69/362776169.db2.gz ZYDZOZKPWGTYQX-NSHDSACASA-N 0 1 311.386 1.093 10 0 DDAEMN Cc1nc(CN(C)C(=O)c2cc(N)ccc2Br)n[nH]1 ZINC000080510856 192163483 /nfs/dbraw/zinc/16/34/83/192163483.db2.gz HHXSNJBEDRPTEL-UHFFFAOYSA-N 0 1 324.182 1.730 10 0 DDAEMN CN1CCc2nc(NC(=O)Cc3csc(CN)n3)sc2C1 ZINC000071696970 191008932 /nfs/dbraw/zinc/00/89/32/191008932.db2.gz ZZITWTFHNKXPCN-UHFFFAOYSA-N 0 1 323.447 1.227 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2nc(C)cs2)CCN1C[C@@H](C)O ZINC000173269670 198204615 /nfs/dbraw/zinc/20/46/15/198204615.db2.gz WCBNDGLFKIPEPW-VXGBXAGGSA-N 0 1 312.439 1.760 10 0 DDAEMN Cc1nn(C)c(C)c1CNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173473901 198218614 /nfs/dbraw/zinc/21/86/14/198218614.db2.gz MCJZURMPCNSIHH-CQSZACIVSA-N 0 1 305.426 1.417 10 0 DDAEMN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000173806652 198255054 /nfs/dbraw/zinc/25/50/54/198255054.db2.gz SDURQSVUARSCOW-UONOGXRCSA-N 0 1 317.433 1.771 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179560250 199054729 /nfs/dbraw/zinc/05/47/29/199054729.db2.gz IAPHFIWXOICYKG-KRWDZBQOSA-N 0 1 314.433 1.965 10 0 DDAEMN CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C[C@@H](C)O ZINC000180749751 199204532 /nfs/dbraw/zinc/20/45/32/199204532.db2.gz SFVVDXVAFJQKSB-GDBMZVCRSA-N 0 1 319.449 1.670 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000189227748 200367509 /nfs/dbraw/zinc/36/75/09/200367509.db2.gz NYPPOJDCSCFDGS-BRWVUGGUSA-N 0 1 304.434 1.827 10 0 DDAEMN Cc1nc(NC(=O)[C@]2(N)CCOC2)ccc1Br ZINC000091507132 193066861 /nfs/dbraw/zinc/06/68/61/193066861.db2.gz SELCQGYAXGKCKN-NSHDSACASA-N 0 1 300.156 1.209 10 0 DDAEMN CS(=O)(=O)N1CCC[C@@H](CN2Cc3ccc(N)cc3C2)C1 ZINC000093697706 193292777 /nfs/dbraw/zinc/29/27/77/193292777.db2.gz SYYPVQMHGLIHSB-LBPRGKRZSA-N 0 1 309.435 1.256 10 0 DDAEMN CCOC(=O)[C@]1(N)CC[C@@H](Sc2nnc3ccccn32)C1 ZINC000093852823 193318625 /nfs/dbraw/zinc/31/86/25/193318625.db2.gz MFYFAONODZVSRX-YGRLFVJLSA-N 0 1 306.391 1.635 10 0 DDAEMN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CCN1C ZINC000094335324 193360317 /nfs/dbraw/zinc/36/03/17/193360317.db2.gz IERBCAAHKGTDAH-MRVPVSSYSA-N 0 1 302.300 1.340 10 0 DDAEMN O=C([C@@H]1CCCN1Cc1cnc(Cl)s1)N1CCNCC1 ZINC000094195216 193348452 /nfs/dbraw/zinc/34/84/52/193348452.db2.gz WIAVMGRVFIVTEM-NSHDSACASA-N 0 1 314.842 1.193 10 0 DDAEMN Cc1cscc1C(=O)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000094247669 193354395 /nfs/dbraw/zinc/35/43/95/193354395.db2.gz UGXRRGBYYODUNO-UHFFFAOYSA-N 0 1 311.476 1.879 10 0 DDAEMN CNC(=O)NC(=O)[C@@H](C)NCc1cccc(Br)c1 ZINC000042418965 183267701 /nfs/dbraw/zinc/26/77/01/183267701.db2.gz PDPMDGHCCVGWCT-MRVPVSSYSA-N 0 1 314.183 1.383 10 0 DDAEMN C[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593104 183374475 /nfs/dbraw/zinc/37/44/75/183374475.db2.gz XITAEWRGMVTJLB-SNVBAGLBSA-N 0 1 301.387 1.171 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2c(C)nn(C)c2Cl)C1 ZINC000284637452 218110214 /nfs/dbraw/zinc/11/02/14/218110214.db2.gz UEHYRLGDBLNSTE-PWSUYJOCSA-N 0 1 324.816 1.770 10 0 DDAEMN O=C(NCCOc1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000105078987 194070111 /nfs/dbraw/zinc/07/01/11/194070111.db2.gz MPYZUHSRAOVPTJ-HNNXBMFYSA-N 0 1 303.406 1.945 10 0 DDAEMN COc1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000105098828 194072930 /nfs/dbraw/zinc/07/29/30/194072930.db2.gz MOHLWYOLJDDHKY-AWEZNQCLSA-N 0 1 304.394 1.470 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105821907 194137957 /nfs/dbraw/zinc/13/79/57/194137957.db2.gz PBIXQPYFYYYMMJ-UONOGXRCSA-N 0 1 321.421 1.021 10 0 DDAEMN C[C@@H](C(=O)NC(C)(C)C)N1CCC(Nc2cccnn2)CC1 ZINC000105805097 194133699 /nfs/dbraw/zinc/13/36/99/194133699.db2.gz IMOCWHJEMLWVBY-LBPRGKRZSA-N 0 1 305.426 1.656 10 0 DDAEMN CCOCCN1CCN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1CC ZINC000105837836 194144236 /nfs/dbraw/zinc/14/42/36/194144236.db2.gz MJLNHPNTJPVHCR-HOTGVXAUSA-N 0 1 313.486 1.580 10 0 DDAEMN CCc1nccn1[C@@H]1CCCN(CC(=O)NCCCOC)C1 ZINC000105922607 194171557 /nfs/dbraw/zinc/17/15/57/194171557.db2.gz RDBTXJOUTYKFIN-CQSZACIVSA-N 0 1 308.426 1.235 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccccc2C)CC1 ZINC000109460385 194265591 /nfs/dbraw/zinc/26/55/91/194265591.db2.gz LYIIWKMGUKKCOG-CQSZACIVSA-N 0 1 305.447 1.818 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2cc(N)ccc2Cl)CCN1C ZINC000110703612 194351957 /nfs/dbraw/zinc/35/19/57/194351957.db2.gz SXKZKYDOALWTCC-GFCCVEGCSA-N 0 1 310.829 1.887 10 0 DDAEMN C[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000111449446 194412663 /nfs/dbraw/zinc/41/26/63/194412663.db2.gz GZFAXINAIKOGON-UTUOFQBUSA-N 0 1 313.423 1.125 10 0 DDAEMN C[C@H]1CCCC[N@H+]1CCCn1c(=O)[nH]nc1SCC(=O)[O-] ZINC000061591721 184175477 /nfs/dbraw/zinc/17/54/77/184175477.db2.gz SHURKQVDLBEYNV-JTQLQIEISA-N 0 1 314.411 1.013 10 0 DDAEMN CCOCCN1CCN(Cc2cccc3c2OCO3)C[C@@H]1C ZINC000120874312 195255116 /nfs/dbraw/zinc/25/51/16/195255116.db2.gz AADHPRWUEDYRQT-AWEZNQCLSA-N 0 1 306.406 1.958 10 0 DDAEMN c1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000121097104 195292973 /nfs/dbraw/zinc/29/29/73/195292973.db2.gz UQXPRVPAVDHJSQ-QGZVFWFLSA-N 0 1 312.417 1.983 10 0 DDAEMN c1c(CN2CC[C@@H](N3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000121097104 195292975 /nfs/dbraw/zinc/29/29/75/195292975.db2.gz UQXPRVPAVDHJSQ-QGZVFWFLSA-N 0 1 312.417 1.983 10 0 DDAEMN CCOCCNC(=O)CN(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246364246 286093256 /nfs/dbraw/zinc/09/32/56/286093256.db2.gz HHVDPGKEWAKYDS-HUUCEWRRSA-N 0 1 312.454 1.809 10 0 DDAEMN CCOCCNC(=O)CN(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000175981258 286093704 /nfs/dbraw/zinc/09/37/04/286093704.db2.gz HHVDPGKEWAKYDS-CABCVRRESA-N 0 1 312.454 1.809 10 0 DDAEMN C[C@@H]1CN(C(=O)CN2CCC(Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000090473441 407167457 /nfs/dbraw/zinc/16/74/57/407167457.db2.gz GPITWGAZVDDCCK-HUUCEWRRSA-N 0 1 320.437 1.231 10 0 DDAEMN CCCC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000101564094 407311572 /nfs/dbraw/zinc/31/15/72/407311572.db2.gz PIDNVGVWDDOQKJ-CYBMUJFWSA-N 0 1 322.409 1.692 10 0 DDAEMN CCCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cc(C)on2)C1 ZINC000101564094 407311574 /nfs/dbraw/zinc/31/15/74/407311574.db2.gz PIDNVGVWDDOQKJ-CYBMUJFWSA-N 0 1 322.409 1.692 10 0 DDAEMN COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1COc2ccccc21 ZINC000111845171 407418171 /nfs/dbraw/zinc/41/81/71/407418171.db2.gz ORLQFQLGUXBWKD-UKRRQHHQSA-N 0 1 319.405 1.530 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000170873452 407540797 /nfs/dbraw/zinc/54/07/97/407540797.db2.gz PEVCVLSCHFIGCH-SECBINFHSA-N 0 1 308.325 1.429 10 0 DDAEMN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000170873590 407542730 /nfs/dbraw/zinc/54/27/30/407542730.db2.gz ATXLGGNDHUXUFQ-SNVBAGLBSA-N 0 1 302.371 1.159 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)c1n[nH]c3ccccc31)CC2 ZINC000114869303 407628842 /nfs/dbraw/zinc/62/88/42/407628842.db2.gz SXLYVJUENOGUQX-SNVBAGLBSA-N 0 1 310.361 1.462 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]nc3c1CCCC3)CC2 ZINC000114865740 407629448 /nfs/dbraw/zinc/62/94/48/407629448.db2.gz KCWAGTNMYKAOQI-SNVBAGLBSA-N 0 1 314.393 1.187 10 0 DDAEMN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CCCCc1cn[nH]n1 ZINC000186432763 407666549 /nfs/dbraw/zinc/66/65/49/407666549.db2.gz APORABQIWSGTAF-LLVKDONJSA-N 0 1 310.398 1.706 10 0 DDAEMN O=C(NCc1ccc(CO)c(F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000171673326 407739157 /nfs/dbraw/zinc/73/91/57/407739157.db2.gz YSWGUWBHTASJQW-OAHLLOKOSA-N 0 1 321.396 1.698 10 0 DDAEMN CC(C)CN(C(=O)CN1CC[C@H](c2cnn(C)c2)C1)C1CC1 ZINC000116322599 407741561 /nfs/dbraw/zinc/74/15/61/407741561.db2.gz QVGBYSKCNXKLBO-AWEZNQCLSA-N 0 1 304.438 1.856 10 0 DDAEMN CN(C)C(=O)c1cccc(CN2CCC[C@H](n3cncn3)C2)c1 ZINC000171706027 407743456 /nfs/dbraw/zinc/74/34/56/407743456.db2.gz SDHAYUBHCMJFEQ-INIZCTEOSA-N 0 1 313.405 1.817 10 0 DDAEMN Cc1nnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)[nH]1 ZINC000171804023 407769655 /nfs/dbraw/zinc/76/96/55/407769655.db2.gz XDNIFBROGPAIEE-TZMCWYRMSA-N 0 1 313.361 1.661 10 0 DDAEMN CN(C)C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCO1 ZINC000116793791 407780264 /nfs/dbraw/zinc/78/02/64/407780264.db2.gz AKWDPABRYYXKOL-IXXDHKBRSA-N 0 1 308.422 1.171 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCOC(C)C)CCN1CCOC ZINC000186872373 407789575 /nfs/dbraw/zinc/78/95/75/407789575.db2.gz HIPVPEGHXFPPJY-AWEZNQCLSA-N 0 1 301.431 1.164 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCOC(C)C)CCN1CCOC ZINC000186872358 407789620 /nfs/dbraw/zinc/78/96/20/407789620.db2.gz HIPVPEGHXFPPJY-CQSZACIVSA-N 0 1 301.431 1.164 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000262326726 407800667 /nfs/dbraw/zinc/80/06/67/407800667.db2.gz GCYPJWPREVTEAQ-SECBINFHSA-N 0 1 305.300 1.684 10 0 DDAEMN COC[C@H](N)C(=O)NCCc1nc2ccccc2n1C(C)C ZINC000262377540 407815982 /nfs/dbraw/zinc/81/59/82/407815982.db2.gz XJDXVTHGNGPVLY-LBPRGKRZSA-N 0 1 304.394 1.250 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262452631 407839307 /nfs/dbraw/zinc/83/93/07/407839307.db2.gz GKSJOKCGZDCAFY-QWHCGFSZSA-N 0 1 313.442 1.161 10 0 DDAEMN COc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000180114592 407856765 /nfs/dbraw/zinc/85/67/65/407856765.db2.gz UXHWEYPBSHAUEH-OAHLLOKOSA-N 0 1 318.377 1.704 10 0 DDAEMN CC[C@@H]1CN(C(=O)Nc2ncccc2C)CCN1C[C@@H](C)O ZINC000173272583 407871673 /nfs/dbraw/zinc/87/16/73/407871673.db2.gz RKJFXWSYKQEODI-ZIAGYGMSSA-N 0 1 306.410 1.699 10 0 DDAEMN CCCc1cc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)[nH]n1 ZINC000173521720 407882917 /nfs/dbraw/zinc/88/29/17/407882917.db2.gz ZPGHBNLQVJYISP-GFCCVEGCSA-N 0 1 304.354 1.002 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)cc2C)C1 ZINC000262701570 407903830 /nfs/dbraw/zinc/90/38/30/407903830.db2.gz IDFOBXQFYYMERE-UHFFFAOYSA-N 0 1 320.389 1.671 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cccnc2)C1 ZINC000262731481 407910645 /nfs/dbraw/zinc/91/06/45/407910645.db2.gz UMSBWEOVITXBQJ-UHFFFAOYSA-N 0 1 303.362 1.139 10 0 DDAEMN O=C1[C@H](N2CCN3CCCC[C@H]3C2)CCN1CC(F)(F)F ZINC000172802349 407851670 /nfs/dbraw/zinc/85/16/70/407851670.db2.gz ZUDCKFWMQLKVOI-NWDGAFQWSA-N 0 1 305.344 1.320 10 0 DDAEMN CC[C@@H](O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000118858590 407959150 /nfs/dbraw/zinc/95/91/50/407959150.db2.gz DSOSXRCSTOZYRH-GOEBONIOSA-N 0 1 305.422 1.402 10 0 DDAEMN Cc1c(CNC(=O)[C@H](Cc2ccccc2)N(C)C)cnn1C ZINC000118947352 407963968 /nfs/dbraw/zinc/96/39/68/407963968.db2.gz NVGAKFBDQMCTES-INIZCTEOSA-N 0 1 300.406 1.518 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000174089660 407913541 /nfs/dbraw/zinc/91/35/41/407913541.db2.gz FLCDFPGQOXLUCG-CJNGLKHVSA-N 0 1 314.376 1.387 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000174095264 407914479 /nfs/dbraw/zinc/91/44/79/407914479.db2.gz NFGCIAZXJSZFTR-XJKSGUPXSA-N 0 1 314.376 1.387 10 0 DDAEMN CC(=O)N[C@@H]1CCCN(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000153853941 407917096 /nfs/dbraw/zinc/91/70/96/407917096.db2.gz DLOKVYDQLPEBPW-MRXNPFEDSA-N 0 1 313.405 1.583 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cncc(F)c2)C1 ZINC000263104103 408026519 /nfs/dbraw/zinc/02/65/19/408026519.db2.gz UYEZHLJYQNSZMK-UHFFFAOYSA-N 0 1 310.329 1.280 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCCC(C)(C)C)CCO1 ZINC000263011911 408000657 /nfs/dbraw/zinc/00/06/57/408000657.db2.gz YTFCUGGKQDRMQF-ZDUSSCGKSA-N 0 1 314.426 1.447 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCCSC2)C1 ZINC000263232148 408068041 /nfs/dbraw/zinc/06/80/41/408068041.db2.gz MMYCCOGCTGNNLS-UNXYVOJBSA-N 0 1 315.439 1.119 10 0 DDAEMN COC(=O)c1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000119459030 408074095 /nfs/dbraw/zinc/07/40/95/408074095.db2.gz KIOIFTFUHQKWLN-NSHDSACASA-N 0 1 322.390 1.535 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H]3CCC[C@H]32)C1 ZINC000263465661 408145842 /nfs/dbraw/zinc/14/58/42/408145842.db2.gz JZMJFTPIHFGTBA-XSCHDIRWSA-N 0 1 323.437 1.898 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C[C@H](C)O ZINC000246189512 408169101 /nfs/dbraw/zinc/16/91/01/408169101.db2.gz SFVVDXVAFJQKSB-HOCLYGCPSA-N 0 1 319.449 1.670 10 0 DDAEMN COc1ccnc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263554858 408172875 /nfs/dbraw/zinc/17/28/75/408172875.db2.gz NPXUBDPNZRBJAU-UHFFFAOYSA-N 0 1 306.366 1.225 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)CCCOC(C)C)CCO2)n[nH]1 ZINC000182482264 408176033 /nfs/dbraw/zinc/17/60/33/408176033.db2.gz UGEYKQVZHBJQFS-LBPRGKRZSA-N 0 1 310.398 1.472 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246458312 408262996 /nfs/dbraw/zinc/26/29/96/408262996.db2.gz NGCOCKVRTSKZJY-OWCLPIDISA-N 0 1 311.470 1.334 10 0 DDAEMN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccccc2F)C1 ZINC000246478565 408265660 /nfs/dbraw/zinc/26/56/60/408265660.db2.gz WONBBFRFHORZEB-WCQYABFASA-N 0 1 300.399 1.833 10 0 DDAEMN C[C@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000246478184 408267696 /nfs/dbraw/zinc/26/76/96/408267696.db2.gz ONFXRWUNJSHSIU-QZWWFDLISA-N 0 1 323.481 1.334 10 0 DDAEMN C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)CN(C)C)CC2)CC(C)(C)C1 ZINC000183138351 408335667 /nfs/dbraw/zinc/33/56/67/408335667.db2.gz ZJRZGBPREAQREM-HUUCEWRRSA-N 0 1 323.481 1.681 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCN1C[C@H](C)O ZINC000246793307 408343160 /nfs/dbraw/zinc/34/31/60/408343160.db2.gz JLSVRJDKMKDDAY-SQWLQELKSA-N 0 1 318.417 1.466 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)[C@@H](C)CC)CCO2)n[nH]1 ZINC000137348953 162127422 /nfs/dbraw/zinc/12/74/22/162127422.db2.gz ZFUWVZDLSOPLCZ-SRVKXCTJSA-N 0 1 309.414 1.885 10 0 DDAEMN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](N)c3ccccc3)CCO2)c1 ZINC000168239260 162178712 /nfs/dbraw/zinc/17/87/12/162178712.db2.gz NJHGGKGWPXBSFD-CVEARBPZSA-N 0 1 314.389 1.119 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000246880475 408359345 /nfs/dbraw/zinc/35/93/45/408359345.db2.gz GQOOTMNJCLCSBQ-DMDPSCGWSA-N 0 1 309.414 1.180 10 0 DDAEMN CN(C)C(=O)c1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173921680 162377686 /nfs/dbraw/zinc/37/76/86/162377686.db2.gz UZIJGFLWADVCNC-QGZVFWFLSA-N 0 1 317.433 1.295 10 0 DDAEMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247023944 408391086 /nfs/dbraw/zinc/39/10/86/408391086.db2.gz PGDIQIVZPCTSIQ-ZWNOBZJWSA-N 0 1 314.455 1.044 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2)CCN1C[C@H](C)O ZINC000247543197 408491631 /nfs/dbraw/zinc/49/16/31/408491631.db2.gz PHJBSNFJPUIXJT-GOEBONIOSA-N 0 1 305.422 1.673 10 0 DDAEMN CCn1cc([C@@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)cn1 ZINC000191785289 408491930 /nfs/dbraw/zinc/49/19/30/408491930.db2.gz XWUVQGHTDVRVBU-HNNXBMFYSA-N 0 1 315.377 1.717 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3nc(C)c(C)s3)CCO2)n[nH]1 ZINC000176971738 162570926 /nfs/dbraw/zinc/57/09/26/162570926.db2.gz QSFCGUYDBGDSFS-JTQLQIEISA-N 0 1 322.394 1.792 10 0 DDAEMN CC[C@H](O)CN1CCN(c2ncccc2C(=O)OC(C)C)CC1 ZINC000184119219 408551254 /nfs/dbraw/zinc/55/12/54/408551254.db2.gz MNCHUDHXSHFAGT-AWEZNQCLSA-N 0 1 321.421 1.540 10 0 DDAEMN C[C@H]1CN(CC(=O)NC2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000177239455 408561264 /nfs/dbraw/zinc/56/12/64/408561264.db2.gz HBTYWFZWXROFLM-ODZFXCKXSA-N 0 1 323.481 1.334 10 0 DDAEMN CC[C@H]1CN(C(=O)C(C)(C)CCOC)CCN1C[C@H](C)O ZINC000248424270 408563184 /nfs/dbraw/zinc/56/31/84/408563184.db2.gz GLMCQRODKGTFEG-KBPBESRZSA-N 0 1 300.443 1.353 10 0 DDAEMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCO1 ZINC000248860426 408649081 /nfs/dbraw/zinc/64/90/81/408649081.db2.gz DCRRLJKXJAZHTI-KBUPBQIOSA-N 0 1 313.442 1.352 10 0 DDAEMN CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)N(C)C ZINC000162121568 408671172 /nfs/dbraw/zinc/67/11/72/408671172.db2.gz WYIWOLTULMHNKR-HIFRSBDPSA-N 0 1 321.396 1.778 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)Nc1ccc(Cl)cn1 ZINC000177757721 408704354 /nfs/dbraw/zinc/70/43/54/408704354.db2.gz KJRZYVDEHZYVBF-CYBMUJFWSA-N 0 1 308.813 1.844 10 0 DDAEMN COC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000249231400 408705781 /nfs/dbraw/zinc/70/57/81/408705781.db2.gz VNVQNYVRJBVZGO-XIRDDKMYSA-N 0 1 320.433 1.422 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CCN1C[C@@H](C)O ZINC000184910791 408716026 /nfs/dbraw/zinc/71/60/26/408716026.db2.gz ONEWSAQJXJWTPB-GDBMZVCRSA-N 0 1 320.437 1.377 10 0 DDAEMN CCOCCN1CC[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CC ZINC000252321793 408794053 /nfs/dbraw/zinc/79/40/53/408794053.db2.gz ZAFQTCCCVZBYMC-JKSUJKDBSA-N 0 1 302.459 1.205 10 0 DDAEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(OC)c2)C1 ZINC000194148484 408768214 /nfs/dbraw/zinc/76/82/14/408768214.db2.gz OLBLNGINCJSODD-ZDUSSCGKSA-N 0 1 305.378 1.234 10 0 DDAEMN CC(C)n1nnnc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000249895622 408771524 /nfs/dbraw/zinc/77/15/24/408771524.db2.gz ROWOLSKABGDWBR-QLFBSQMISA-N 0 1 322.457 1.328 10 0 DDAEMN C[C@H](CN1CC[C@H](CNc2ccccn2)C1)CS(C)(=O)=O ZINC000163351470 408774977 /nfs/dbraw/zinc/77/49/77/408774977.db2.gz STLGPSFCXGADAH-ZIAGYGMSSA-N 0 1 311.451 1.496 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000188897937 163076398 /nfs/dbraw/zinc/07/63/98/163076398.db2.gz ICYBAVYJGUUIMU-LLVKDONJSA-N 0 1 304.394 1.808 10 0 DDAEMN O=C(CCNC(=O)c1ccco1)N1CCN2CCCC[C@H]2C1 ZINC000195097812 163306605 /nfs/dbraw/zinc/30/66/05/163306605.db2.gz BOBYLBMRMHDYIP-ZDUSSCGKSA-N 0 1 305.378 1.096 10 0 DDAEMN O=C(C[C@@H]1COCCN1)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000262398504 163823655 /nfs/dbraw/zinc/82/36/55/163823655.db2.gz PGTQRFSJCREAQN-TUAOUCFPSA-N 0 1 308.344 1.850 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000285549277 409484166 /nfs/dbraw/zinc/48/41/66/409484166.db2.gz QOOGUUCNCABJKC-KRWDZBQOSA-N 0 1 324.388 1.143 10 0 DDAEMN O=c1[nH]cnc(NCCC(F)F)c1I ZINC000306585537 409776142 /nfs/dbraw/zinc/77/61/42/409776142.db2.gz HSAHNWNPTKNTET-UHFFFAOYSA-N 0 1 315.061 1.854 10 0 DDAEMN COC(=O)c1sc(N2C[C@@H]3OCCN(C)[C@H]3C2)nc1Cl ZINC000301678166 410768840 /nfs/dbraw/zinc/76/88/40/410768840.db2.gz UARLMVHNJMZRPZ-YUMQZZPRSA-N 0 1 317.798 1.102 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cccc2OC)C1 ZINC000193071645 222143017 /nfs/dbraw/zinc/14/30/17/222143017.db2.gz UBOOORDPIRRWHF-CYBMUJFWSA-N 0 1 319.405 1.543 10 0 DDAEMN C[C@H](OCc1ccccc1)C(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404557787 418771944 /nfs/dbraw/zinc/77/19/44/418771944.db2.gz UTZTYXABBCKTBI-NUEKZKHPSA-N 0 1 304.390 1.181 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2cccc(O)c2)C[C@@H]1C ZINC000492521610 420583287 /nfs/dbraw/zinc/58/32/87/420583287.db2.gz NAIOQAIEDUWLOQ-KFBXHMBNSA-N 0 1 304.390 1.319 10 0 DDAEMN Cn1cc(O[C@@H]2CN(Cc3ccc4occc4c3)C[C@H]2O)cn1 ZINC000628376228 422154903 /nfs/dbraw/zinc/15/49/03/422154903.db2.gz LBFKQPGFYMSENX-NVXWUHKLSA-N 0 1 313.357 1.790 10 0 DDAEMN O[C@@]1(c2c[nH]nn2)CCN(Cc2cncc(Br)c2)C1 ZINC000583617326 422202028 /nfs/dbraw/zinc/20/20/28/422202028.db2.gz NJXXDGGIZYNWCL-LBPRGKRZSA-N 0 1 324.182 1.056 10 0 DDAEMN CC1CCC(OCC(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)CC1 ZINC000583617726 422203237 /nfs/dbraw/zinc/20/32/37/422203237.db2.gz JKZCEQIBRRXHGF-ZUEPYMLJSA-N 0 1 322.409 1.210 10 0 DDAEMN CCC1=C(C(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)CCCO1 ZINC000583621096 422206099 /nfs/dbraw/zinc/20/60/99/422206099.db2.gz GFCDIYVYACGNNO-YPMHNXCESA-N 0 1 320.393 1.876 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NC2CCC2)[N@@H+]1Cc1ccccc1 ZINC000630647816 422240087 /nfs/dbraw/zinc/24/00/87/422240087.db2.gz CMKMGPWSFVIYLI-GJZGRUSLSA-N 0 1 302.374 1.773 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NC2CCC2)[N@H+]1Cc1ccccc1 ZINC000630647816 422240091 /nfs/dbraw/zinc/24/00/91/422240091.db2.gz CMKMGPWSFVIYLI-GJZGRUSLSA-N 0 1 302.374 1.773 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCC[C@@H]1CCCO1 ZINC000637901485 422460799 /nfs/dbraw/zinc/46/07/99/422460799.db2.gz DTSCRQPZYBFVLH-CWRNSKLLSA-N 0 1 306.406 1.604 10 0 DDAEMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccs1 ZINC000171699734 263346008 /nfs/dbraw/zinc/34/60/08/263346008.db2.gz ABVQBCVMMHCICB-OLZOCXBDSA-N 0 1 310.467 1.744 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CCN1CCOC ZINC000182027141 263371510 /nfs/dbraw/zinc/37/15/10/263371510.db2.gz PFFJEMYAHWSSRN-MBVDDHJVSA-N 0 1 319.405 1.370 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1 ZINC000251899937 275506305 /nfs/dbraw/zinc/50/63/05/275506305.db2.gz WHTUPFRBFZFSEK-XHDPSFHLSA-N 0 1 310.419 1.460 10 0 DDAEMN CC[C@@H](O)CN1CCN(CC(=O)Nc2cccc(OC)c2)CC1 ZINC000118858513 276536298 /nfs/dbraw/zinc/53/62/98/276536298.db2.gz ORNFMRKWPMYGRS-OAHLLOKOSA-N 0 1 321.421 1.022 10 0 DDAEMN COc1ccccc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113305808 278059140 /nfs/dbraw/zinc/05/91/40/278059140.db2.gz BYPRHHZAXFJOBU-QWHCGFSZSA-N 0 1 310.419 1.552 10 0 DDAEMN CCCCN(C[C@@H](O)COC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000121062689 281130765 /nfs/dbraw/zinc/13/07/65/281130765.db2.gz OCQBMNDSEGYZQD-ZIAGYGMSSA-N 0 1 321.483 1.452 10 0 DDAEMN Cc1noc(COCC(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)n1 ZINC000328733301 534417447 /nfs/dbraw/zinc/41/74/47/534417447.db2.gz JNSCEDRRSIOJRI-NSHDSACASA-N 0 1 320.353 1.075 10 0 DDAEMN O=C1[C@@H](N2CCC[C@@H](n3cccn3)C2)CCN1C1CCOCC1 ZINC000328613062 534826519 /nfs/dbraw/zinc/82/65/19/534826519.db2.gz PZPZRGIZWJMXIZ-CVEARBPZSA-N 0 1 318.421 1.300 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@@H](Nc1ccncc1C(N)=O)CC2 ZINC000302207804 528336279 /nfs/dbraw/zinc/33/62/79/528336279.db2.gz FGLNSHWIRHDMFW-JTQLQIEISA-N 0 1 300.366 1.322 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000106386835 696626847 /nfs/dbraw/zinc/62/68/47/696626847.db2.gz HWNRVPLWYRLSER-LBPRGKRZSA-N 0 1 300.834 1.270 10 0 DDAEMN COCCN1CCN(Cn2ccc(C(F)(F)F)n2)C[C@@H]1C ZINC000117323303 696670532 /nfs/dbraw/zinc/67/05/32/696670532.db2.gz DSBTXDBCLLCUTC-NSHDSACASA-N 0 1 306.332 1.512 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCC(c2cc[nH]n2)CC1 ZINC000124965173 696748052 /nfs/dbraw/zinc/74/80/52/696748052.db2.gz LIZJWLQLTDDSQQ-UHFFFAOYSA-N 0 1 323.356 1.666 10 0 DDAEMN Cc1ccc(NCCCNC(=O)N(C)C[C@@H](C)C(=O)[O-])[nH+]c1 ZINC000262943706 698484952 /nfs/dbraw/zinc/48/49/52/698484952.db2.gz HNUGBJTWVPOHRB-GFCCVEGCSA-N 0 1 308.382 1.554 10 0 DDAEMN COc1nc(C)cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263567344 698513787 /nfs/dbraw/zinc/51/37/87/698513787.db2.gz XLMNRZUAFBMYDC-UHFFFAOYSA-N 0 1 320.393 1.533 10 0 DDAEMN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2cscn2)C1 ZINC000702837236 699233354 /nfs/dbraw/zinc/23/33/54/699233354.db2.gz IZQYYMWYULRQJY-PWSUYJOCSA-N 0 1 313.423 1.461 10 0 DDAEMN Cc1cc(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)on1 ZINC000702845548 699234275 /nfs/dbraw/zinc/23/42/75/699234275.db2.gz NONWLIROXLXHDD-AAEUAGOBSA-N 0 1 311.382 1.300 10 0 DDAEMN CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000850475956 703732922 /nfs/dbraw/zinc/73/29/22/703732922.db2.gz GNDWGSQKMRNPQI-LALPHHSUSA-N 0 1 316.409 1.858 10 0 DDAEMN Cc1noc(COC2CN([C@H]3CCCC34CCOCC4)C2)n1 ZINC000886097299 708697414 /nfs/dbraw/zinc/69/74/14/708697414.db2.gz QWRWAVNANXBGOK-AWEZNQCLSA-N 0 1 307.394 1.928 10 0 DDAEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000887008324 708926154 /nfs/dbraw/zinc/92/61/54/708926154.db2.gz CQSOJUMHKWOMLN-VXGBXAGGSA-N 0 1 307.394 1.501 10 0 DDAEMN CC(C)N1CC[C@H](N2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000931119549 714007040 /nfs/dbraw/zinc/00/70/40/714007040.db2.gz HNYLIVPGISYMTC-HIFRSBDPSA-N 0 1 303.410 1.412 10 0 DDAEMN CN1CCN(c2ccc(NC(=O)c3ccc(=O)oc3)cc2)CC1 ZINC000074725930 185013444 /nfs/dbraw/zinc/01/34/44/185013444.db2.gz BJOMUDVXTYBNLD-UHFFFAOYSA-N 0 1 313.357 1.644 10 0 DDAEMN Cc1cc(COCC(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)on1 ZINC000328741242 231326660 /nfs/dbraw/zinc/32/66/60/231326660.db2.gz NJMMQDYFIASONO-CYBMUJFWSA-N 0 1 319.365 1.680 10 0 DDAEMN N[C@@]1(C(=O)Nc2c(F)cc(Br)cc2F)CCOC1 ZINC000088168517 185240913 /nfs/dbraw/zinc/24/09/13/185240913.db2.gz HMTVRZVYAAXEOD-NSHDSACASA-N 0 1 321.121 1.784 10 0 DDAEMN CC(C)(C)[C@H](CCNC(=O)[C@H]1COCC[NH2+]1)CCC(=O)[O-] ZINC000088372600 185247140 /nfs/dbraw/zinc/24/71/40/185247140.db2.gz YDZAOZRXJMOQFK-NWDGAFQWSA-N 0 1 300.399 1.008 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)o1 ZINC000088543951 185256862 /nfs/dbraw/zinc/25/68/62/185256862.db2.gz VJXQKWJBMXJQIN-UHFFFAOYSA-N 0 1 302.396 1.189 10 0 DDAEMN Cc1ccc([C@H](C)NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)o1 ZINC000245920436 539268869 /nfs/dbraw/zinc/26/88/69/539268869.db2.gz XOWDGKOAJJFOKS-DYEKYZERSA-N 0 1 309.410 1.746 10 0 DDAEMN C[N@H+](Cc1ccccc1Br)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388833 185294084 /nfs/dbraw/zinc/29/40/84/185294084.db2.gz WPQBJSFLMHXKJO-CMPLNLGQSA-N 0 1 314.179 1.981 10 0 DDAEMN C[N@@H+](Cc1ccccc1Br)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090388833 185294085 /nfs/dbraw/zinc/29/40/85/185294085.db2.gz WPQBJSFLMHXKJO-CMPLNLGQSA-N 0 1 314.179 1.981 10 0 DDAEMN Cc1c(CO)cccc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000092678304 185333553 /nfs/dbraw/zinc/33/35/53/185333553.db2.gz HTHMEORBRHLQDV-CQSZACIVSA-N 0 1 312.435 1.202 10 0 DDAEMN O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092782352 185340117 /nfs/dbraw/zinc/34/01/17/185340117.db2.gz XLGHVXQOVATOQO-LBPRGKRZSA-N 0 1 308.744 1.533 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC[C@H]1c1cccs1 ZINC000092780422 185340589 /nfs/dbraw/zinc/34/05/89/185340589.db2.gz BSGYFOOAHQUJPH-AAEUAGOBSA-N 0 1 302.403 1.849 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC000188577795 282260147 /nfs/dbraw/zinc/26/01/47/282260147.db2.gz KBXZHVNNCIKVRL-BBRMVZONSA-N 0 1 306.454 1.722 10 0 DDAEMN COc1ccc2c(c1)[C@H](N)[C@H](S(=O)(=O)C1CCOCC1)C2 ZINC000092859299 185346968 /nfs/dbraw/zinc/34/69/68/185346968.db2.gz DBWGFOANEJOQTE-CABCVRRESA-N 0 1 311.403 1.214 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cc(CSCCO)ccn1)N(C)C ZINC000162066353 290792368 /nfs/dbraw/zinc/79/23/68/290792368.db2.gz ZWQZGWPPWSDEAQ-ZDUSSCGKSA-N 0 1 311.451 1.976 10 0 DDAEMN Nc1cc(C(=O)NCCCc2nc[nH]n2)ccc1Br ZINC000080539158 192166571 /nfs/dbraw/zinc/16/65/71/192166571.db2.gz JFRXZVAGCDAIQM-UHFFFAOYSA-N 0 1 324.182 1.512 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCN1CCOC ZINC000172309688 198076642 /nfs/dbraw/zinc/07/66/42/198076642.db2.gz LGDLSUGXGVMVFE-CQSZACIVSA-N 0 1 308.426 1.138 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3cccc(OC)n3)CCO2)n[nH]1 ZINC000173688942 198241172 /nfs/dbraw/zinc/24/11/72/198241172.db2.gz YMYAIZVIDVTKDG-LBPRGKRZSA-N 0 1 303.366 1.344 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3ccccc3O)CCO2)n[nH]1 ZINC000173756309 198248022 /nfs/dbraw/zinc/24/80/22/198248022.db2.gz ZHCFZMVTELRUSW-ZDUSSCGKSA-N 0 1 316.361 1.215 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cnc(C)s2)CCN1C[C@@H](C)O ZINC000174625281 198361591 /nfs/dbraw/zinc/36/15/91/198361591.db2.gz LJTSMGDHVVSTBU-HGIUVPSYSA-N 0 1 323.462 1.768 10 0 DDAEMN CCOC(=O)c1ccc(N2CCN(CCOC)[C@@H](CC)C2)nc1 ZINC000174736622 198378209 /nfs/dbraw/zinc/37/82/09/198378209.db2.gz GNNMIJWSEZMQHU-HNNXBMFYSA-N 0 1 321.421 1.805 10 0 DDAEMN O=C([C@H]1NCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 ZINC000156395056 354219131 /nfs/dbraw/zinc/21/91/31/354219131.db2.gz IWSGEIRQRDQOOT-HOCLYGCPSA-N 0 1 311.389 1.329 10 0 DDAEMN CCc1cc(C(=O)N2CCN(CC)[C@@H](c3nccn3C)C2)n[nH]1 ZINC000328635800 354555477 /nfs/dbraw/zinc/55/54/77/354555477.db2.gz VDOBMHYPGMVGPL-CQSZACIVSA-N 0 1 316.409 1.225 10 0 DDAEMN O=C1CCOc2ccc(S(=O)(=O)Nc3ccccn3)cc2N1 ZINC000074936534 191391265 /nfs/dbraw/zinc/39/12/65/191391265.db2.gz PUTOQYPFOUALQL-UHFFFAOYSA-N 0 1 319.342 1.603 10 0 DDAEMN O=C(CCc1nc2ccccc2[nH]c1=O)N1CCc2nc[nH]c2C1 ZINC000074885544 191379123 /nfs/dbraw/zinc/37/91/23/191379123.db2.gz DZIONOIDJACBIV-UHFFFAOYSA-N 0 1 323.356 1.164 10 0 DDAEMN CC(C)N1CCO[C@@H](CN(C)c2ccc(C(N)=S)cc2)C1 ZINC000080746526 192187092 /nfs/dbraw/zinc/18/70/92/192187092.db2.gz NOIZIWXFMQECHY-HNNXBMFYSA-N 0 1 307.463 1.866 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2c[nH]nc2C)n1 ZINC000080868582 192196503 /nfs/dbraw/zinc/19/65/03/192196503.db2.gz MKRWMYOKMWPIIM-LURJTMIESA-N 0 1 301.397 1.256 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000080868242 192196775 /nfs/dbraw/zinc/19/67/75/192196775.db2.gz KTIMCHKNIQCFAI-DTWKUNHWSA-N 0 1 305.425 1.344 10 0 DDAEMN CCOC(=O)CCCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000081545433 192287557 /nfs/dbraw/zinc/28/75/57/192287557.db2.gz APCQIUHGYOTHPO-ZDUSSCGKSA-N 0 1 311.403 1.838 10 0 DDAEMN CCN1CCC[C@H]1CNS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081680835 192312735 /nfs/dbraw/zinc/31/27/35/192312735.db2.gz IYTCYDQBICSKDI-VIFPVBQESA-N 0 1 318.830 1.080 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3nnc(C)s3)CCO2)n[nH]1 ZINC000178012558 198804393 /nfs/dbraw/zinc/80/43/93/198804393.db2.gz KRAXEUYNALDVRC-MRVPVSSYSA-N 0 1 323.382 1.132 10 0 DDAEMN CO[C@@]1(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCOC1 ZINC000276636770 213015397 /nfs/dbraw/zinc/01/53/97/213015397.db2.gz VQHGBIAQNJHABM-WMZOPIPTSA-N 0 1 318.417 1.573 10 0 DDAEMN CCNCc1cc(S(=O)(=O)N2CCSC[C@@H]2C)c(C)o1 ZINC000089039682 192714167 /nfs/dbraw/zinc/71/41/67/192714167.db2.gz LFHXDCJJWCZKHJ-JTQLQIEISA-N 0 1 318.464 1.824 10 0 DDAEMN CCn1nc(C)cc1C[S@@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000089203654 192741296 /nfs/dbraw/zinc/74/12/96/192741296.db2.gz YSTVMYSTIFEHCY-NRFANRHFSA-N 0 1 303.391 1.978 10 0 DDAEMN Cc1ncc(CN2CCN(C(=O)c3coc(CN)c3)CC2)s1 ZINC000188279661 200221073 /nfs/dbraw/zinc/22/10/73/200221073.db2.gz DARHKVVNAHKJFC-UHFFFAOYSA-N 0 1 320.418 1.461 10 0 DDAEMN O=C(NCCN1CCCOCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000189393360 200393594 /nfs/dbraw/zinc/39/35/94/200393594.db2.gz CMCYBSJEVZMIGW-KGLIPLIRSA-N 0 1 324.371 1.907 10 0 DDAEMN COC[C@H]1CN(C[C@H](O)COCc2ccccc2)C[C@@H](C)O1 ZINC000189403533 200394751 /nfs/dbraw/zinc/39/47/51/200394751.db2.gz OXKMWAGHRGQOGQ-HYVNUMGLSA-N 0 1 309.406 1.300 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000194775051 201287946 /nfs/dbraw/zinc/28/79/46/201287946.db2.gz IPSRYBZGKMXGGM-SECBINFHSA-N 0 1 312.420 1.016 10 0 DDAEMN C[C@@H](C(=O)Nc1cc(Cl)ccc1N)N(C)CC1CC(O)C1 ZINC000091451298 193058692 /nfs/dbraw/zinc/05/86/92/193058692.db2.gz PSEUFBGCVWHOAP-BMQDGWLCSA-N 0 1 311.813 1.952 10 0 DDAEMN Cc1[nH+]ccn1CCS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092115015 193162172 /nfs/dbraw/zinc/16/21/72/193162172.db2.gz ZPEDUEUQZOZJFF-UHFFFAOYSA-N 0 1 312.322 1.503 10 0 DDAEMN CCc1csc([C@H]2CCCN(C(=O)C[C@H]3COCCN3)C2)n1 ZINC000262465007 203302056 /nfs/dbraw/zinc/30/20/56/203302056.db2.gz XSSAWJNRDYVWJI-JSGCOSHPSA-N 0 1 323.462 1.790 10 0 DDAEMN Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C2CC2)C(N)=O)[n-]1 ZINC000093630025 193276522 /nfs/dbraw/zinc/27/65/22/193276522.db2.gz JLNVCFONNBJRTF-QMTHXVAHSA-N 0 1 309.439 1.372 10 0 DDAEMN C[C@H]1CN(CC(=O)[N-]C(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342233 193362394 /nfs/dbraw/zinc/36/23/94/193362394.db2.gz GEURYOZUGLPQCP-GWCFXTLKSA-N 0 1 309.797 1.266 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@H](N(CCO)Cc2ccccc2)C1 ZINC000094643695 193390030 /nfs/dbraw/zinc/39/00/30/193390030.db2.gz FQRKTIHUAWXWTE-JKSUJKDBSA-N 0 1 311.447 1.837 10 0 DDAEMN CCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000019232615 182110472 /nfs/dbraw/zinc/11/04/72/182110472.db2.gz VBHSWRRMILGBBE-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H]([NH+]2CCCCC2)C1=O ZINC000019767012 182144542 /nfs/dbraw/zinc/14/45/42/182144542.db2.gz IMQZCTWXCMFVEA-AWEZNQCLSA-N 0 1 316.357 1.811 10 0 DDAEMN Nc1cc(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000019775277 182146684 /nfs/dbraw/zinc/14/66/84/182146684.db2.gz YTVWJWOWVBJRFB-UHFFFAOYSA-N 0 1 311.769 1.657 10 0 DDAEMN CS(=O)(=O)CC[C@@H](N)C(=O)Nc1ccccc1C(F)(F)F ZINC000021021103 182261756 /nfs/dbraw/zinc/26/17/56/182261756.db2.gz ZTFWPLBOGWHSBX-SECBINFHSA-N 0 1 324.324 1.406 10 0 DDAEMN C[C@H](NC(=O)CNC(=O)CN)c1ccc(Cl)c(Cl)c1 ZINC000040807580 183136941 /nfs/dbraw/zinc/13/69/41/183136941.db2.gz YGYINLYHGSGNBW-ZETCQYMHSA-N 0 1 304.177 1.246 10 0 DDAEMN Nc1cc(N)nc(S[C@@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000041023971 183157461 /nfs/dbraw/zinc/15/74/61/183157461.db2.gz QKGCTVFYZJEOBK-MRVPVSSYSA-N 0 1 308.388 1.262 10 0 DDAEMN O=C(NCCCNc1ccccn1)N1CCN2CCCC[C@H]2C1 ZINC000105142966 194079336 /nfs/dbraw/zinc/07/93/36/194079336.db2.gz POQJGAPNTIJCTQ-HNNXBMFYSA-N 0 1 317.437 1.763 10 0 DDAEMN O[C@]1(c2c[nH]nn2)CCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000284813994 218187959 /nfs/dbraw/zinc/18/79/59/218187959.db2.gz NPLHAPQUETUZJZ-MRXNPFEDSA-N 0 1 311.345 1.553 10 0 DDAEMN CC(C)CCc1noc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000105824569 194137243 /nfs/dbraw/zinc/13/72/43/194137243.db2.gz OQNBGYLLTVJGTG-UONOGXRCSA-N 0 1 310.442 1.545 10 0 DDAEMN CC[C@@H]1CN(Cc2ccc(C(=O)OC)o2)CCN1C[C@@H](C)O ZINC000105824962 194138458 /nfs/dbraw/zinc/13/84/58/194138458.db2.gz ZXTLFBGEYOSJEA-CHWSQXEVSA-N 0 1 310.394 1.343 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(C)n2C2CC2)C[C@H]1CC ZINC000105838598 194144047 /nfs/dbraw/zinc/14/40/47/194144047.db2.gz UIMRDQFKLAKCDC-OAHLLOKOSA-N 0 1 321.469 1.854 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N1CCN(CCOCC)[C@H](CC)C1 ZINC000105838125 194144733 /nfs/dbraw/zinc/14/47/33/194144733.db2.gz RATZRSRXSWKZTM-HZPDHXFCSA-N 0 1 313.486 1.724 10 0 DDAEMN Cc1cccc2nc(CN3CCC[C@@H](n4cncn4)C3)cc(=O)n12 ZINC000105898254 194165284 /nfs/dbraw/zinc/16/52/84/194165284.db2.gz SJUKHDIMOFYKPQ-OAHLLOKOSA-N 0 1 324.388 1.432 10 0 DDAEMN CCOC(=O)CCS(=O)(=O)Nc1ccsc1C(=O)OC ZINC000049064427 183709118 /nfs/dbraw/zinc/70/91/18/183709118.db2.gz IJUNGFOLVRZMGC-UHFFFAOYSA-N 0 1 321.376 1.230 10 0 DDAEMN CCCn1c(SCCC[C@](C)(N)C(=O)OCC)n[nH]c1=O ZINC000061608013 184177795 /nfs/dbraw/zinc/17/77/95/184177795.db2.gz VYKSUKDGDFURIC-ZDUSSCGKSA-N 0 1 316.427 1.134 10 0 DDAEMN COCCC[N@H+](C)CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000062032298 184202201 /nfs/dbraw/zinc/20/22/01/184202201.db2.gz DDNSQCGEUACWPJ-UHFFFAOYSA-N 0 1 314.769 1.945 10 0 DDAEMN COCCC[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000062032298 184202202 /nfs/dbraw/zinc/20/22/02/184202202.db2.gz DDNSQCGEUACWPJ-UHFFFAOYSA-N 0 1 314.769 1.945 10 0 DDAEMN CCNS(=O)(=O)NC[C@@H](c1ccco1)N1CCCCCC1 ZINC000062356681 184232176 /nfs/dbraw/zinc/23/21/76/184232176.db2.gz YBKXLLQOVXTBDR-ZDUSSCGKSA-N 0 1 315.439 1.641 10 0 DDAEMN C[C@@]1(NC2=N[C@H](Cc3ccccc3)CS2)CCS(=O)(=O)C1 ZINC000063220635 184279383 /nfs/dbraw/zinc/27/93/83/184279383.db2.gz NSVSDGZEFHZCJN-UKRRQHHQSA-N 0 1 324.471 1.867 10 0 DDAEMN O=C([O-])c1cc(Cl)ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062985384 184265032 /nfs/dbraw/zinc/26/50/32/184265032.db2.gz IYZSZONIYWNYJE-LBPRGKRZSA-N 0 1 310.781 1.949 10 0 DDAEMN O=C(N[C@@H]1CCCn2ncnc21)c1cccc(-c2nnc[nH]2)c1 ZINC000155472506 197058632 /nfs/dbraw/zinc/05/86/32/197058632.db2.gz CKFFUIRLOKRJIO-GFCCVEGCSA-N 0 1 309.333 1.328 10 0 DDAEMN C[NH+](C)C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)CCO1 ZINC000155309228 197042029 /nfs/dbraw/zinc/04/20/29/197042029.db2.gz DGOKTUKKPDLEAP-CQSZACIVSA-N 0 1 318.373 1.261 10 0 DDAEMN Cc1nnc(SCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)[nH]1 ZINC000073706096 406892779 /nfs/dbraw/zinc/89/27/79/406892779.db2.gz VLVZUURSOZUCMG-RYUDHWBXSA-N 0 1 310.423 1.765 10 0 DDAEMN COc1c(CN2CCC(OC[C@H]3CCCO3)CC2)c(C)nn1C ZINC000092662071 407191982 /nfs/dbraw/zinc/19/19/82/407191982.db2.gz FCILCDSFBOMOFC-OAHLLOKOSA-N 0 1 323.437 1.897 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cccn3C(C)C)CCO2)n[nH]1 ZINC000123080047 407319101 /nfs/dbraw/zinc/31/91/01/407319101.db2.gz GUWJCYPVRLQEFL-ZDUSSCGKSA-N 0 1 303.366 1.709 10 0 DDAEMN CC(C)c1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)n[nH]1 ZINC000126964755 407424988 /nfs/dbraw/zinc/42/49/88/407424988.db2.gz CXDCODQRMDXFCC-LBPRGKRZSA-N 0 1 302.382 1.677 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1cc(C)cc(Br)c1O ZINC000261966850 407696770 /nfs/dbraw/zinc/69/67/70/407696770.db2.gz AZGQTOHXARMUFQ-MRVPVSSYSA-N 0 1 303.156 1.375 10 0 DDAEMN COC[C@@H](N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000262173012 407756412 /nfs/dbraw/zinc/75/64/12/407756412.db2.gz AXDAVXCEFUJRDH-GFCCVEGCSA-N 0 1 302.777 1.847 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000262298342 407787095 /nfs/dbraw/zinc/78/70/95/407787095.db2.gz NPSGNTPOEOBCLQ-LBPRGKRZSA-N 0 1 308.769 1.497 10 0 DDAEMN CCOCCN1CCN(C(=O)NCCn2ccnc2)C[C@@H]1CC ZINC000117021881 407805720 /nfs/dbraw/zinc/80/57/20/407805720.db2.gz JJSVFHOEVBXKSG-HNNXBMFYSA-N 0 1 323.441 1.025 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC000262359732 407811763 /nfs/dbraw/zinc/81/17/63/407811763.db2.gz VKSFISTXWKFXRH-NSHDSACASA-N 0 1 320.311 1.526 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCCc2cccnc2)CCN1CCOC ZINC000117475060 407840283 /nfs/dbraw/zinc/84/02/83/407840283.db2.gz NFQXEAIFPCPMKP-MRXNPFEDSA-N 0 1 320.437 1.376 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3cccc(O)c3)CCO2)n[nH]1 ZINC000180086006 407852817 /nfs/dbraw/zinc/85/28/17/407852817.db2.gz XZYFAJUWAAEMBZ-VBROQKIQSA-N 0 1 314.345 1.432 10 0 DDAEMN CCc1ccc(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)cc1 ZINC000262697706 407902927 /nfs/dbraw/zinc/90/29/27/407902927.db2.gz GXRGQFCRFUUPDR-UHFFFAOYSA-N 0 1 304.390 1.916 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccccc2C)C1 ZINC000262728960 407909551 /nfs/dbraw/zinc/90/95/51/407909551.db2.gz UCAPXBIABLOYIQ-UHFFFAOYSA-N 0 1 304.390 1.591 10 0 DDAEMN CC[C@@H](C)CS(=O)(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262896965 407962633 /nfs/dbraw/zinc/96/26/33/407962633.db2.gz AYDOYNLPOBNYAK-CHWSQXEVSA-N 0 1 320.455 1.233 10 0 DDAEMN CCOc1cccc2cc([C@H](C)NC(=O)[C@H](N)COC)oc21 ZINC000263113360 408029040 /nfs/dbraw/zinc/02/90/40/408029040.db2.gz FFWHBCLLCDKPSL-CMPLNLGQSA-N 0 1 306.362 1.982 10 0 DDAEMN Cc1ccc(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)s1 ZINC000262988251 407993755 /nfs/dbraw/zinc/99/37/55/407993755.db2.gz VEISUTKKVZTDNZ-CYBMUJFWSA-N 0 1 324.446 1.997 10 0 DDAEMN CC[C@H](O)CN1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189449077 408022253 /nfs/dbraw/zinc/02/22/53/408022253.db2.gz AVVHNHLSTUANDN-NSHDSACASA-N 0 1 316.339 1.292 10 0 DDAEMN CC(C)N(C)C(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000175186886 408070062 /nfs/dbraw/zinc/07/00/62/408070062.db2.gz GOJLWYPTUQQRMO-ZDUSSCGKSA-N 0 1 305.426 1.608 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cncc(C)c2)CCN1C[C@@H](C)O ZINC000182070526 408070238 /nfs/dbraw/zinc/07/02/38/408070238.db2.gz RBCVSVUCIQCDIF-ZBFHGGJFSA-N 0 1 320.437 1.377 10 0 DDAEMN Cc1csc(CNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000175337492 408109280 /nfs/dbraw/zinc/10/92/80/408109280.db2.gz MFWNQOBZJQQZEA-SNVBAGLBSA-N 0 1 322.394 1.161 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCC2(C(C)C)CC2)CCN1C[C@@H](C)O ZINC000181940750 408055996 /nfs/dbraw/zinc/05/59/96/408055996.db2.gz QPVHPOOYNYCEDM-HUUCEWRRSA-N 0 1 311.470 1.909 10 0 DDAEMN CCc1cc(CC)nc(NC2CC([N@@H+](CC)CC(=O)[O-])C2)n1 ZINC000263568344 408177539 /nfs/dbraw/zinc/17/75/39/408177539.db2.gz YIVZDSZWESOQDD-UHFFFAOYSA-N 0 1 306.410 1.951 10 0 DDAEMN C[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000246292189 408209238 /nfs/dbraw/zinc/20/92/38/408209238.db2.gz BDHJFNNKSQXVLB-OWCLPIDISA-N 0 1 309.454 1.040 10 0 DDAEMN C[C@@H](NC(=O)N[C@@H](C)COCc1ccccc1)c1nnc[nH]1 ZINC000183123386 408331599 /nfs/dbraw/zinc/33/15/99/408331599.db2.gz UDHMWRCANKHKPG-NWDGAFQWSA-N 0 1 303.366 1.770 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)CCCOc2ccccc2)C[C@@H]1C ZINC000246765160 408336734 /nfs/dbraw/zinc/33/67/34/408336734.db2.gz OZQGXNFHDILUFF-HOTGVXAUSA-N 0 1 320.433 1.759 10 0 DDAEMN O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000140525310 162132490 /nfs/dbraw/zinc/13/24/90/162132490.db2.gz GPDDPEYTIDATAW-YJBOKZPZSA-N 0 1 306.450 1.918 10 0 DDAEMN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000140525310 162132493 /nfs/dbraw/zinc/13/24/93/162132493.db2.gz GPDDPEYTIDATAW-YJBOKZPZSA-N 0 1 306.450 1.918 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3nccc4ccccc43)CCO2)n[nH]1 ZINC000173532378 162345270 /nfs/dbraw/zinc/34/52/70/162345270.db2.gz ZAHDXBSEVYNLNW-CQSZACIVSA-N 0 1 323.356 1.875 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C3(c4ccccc4)CC3)CCO2)n[nH]1 ZINC000173537137 162346732 /nfs/dbraw/zinc/34/67/32/162346732.db2.gz QQCHQRQVSWRTAI-CQSZACIVSA-N 0 1 312.373 1.745 10 0 DDAEMN CC[C@H](O)CN1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000191346566 408410568 /nfs/dbraw/zinc/41/05/68/408410568.db2.gz BZKGIAIWMGJFEX-KRWDZBQOSA-N 0 1 314.433 1.761 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(CCC(C)C)no2)CCN1C[C@H](C)O ZINC000247404257 408465363 /nfs/dbraw/zinc/46/53/63/408465363.db2.gz YVCOTOGEDKLOEG-LSDHHAIUSA-N 0 1 324.469 1.935 10 0 DDAEMN CCOC(=O)C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000177788177 408712373 /nfs/dbraw/zinc/71/23/73/408712373.db2.gz UDMFCUBFYYAREM-HIFRSBDPSA-N 0 1 306.406 1.617 10 0 DDAEMN CC[C@@H]1CN([C@@H]2CCCN(C(C)C)C2=O)CCN1CCOC ZINC000177710139 408691514 /nfs/dbraw/zinc/69/15/14/408691514.db2.gz COSZJNXRIPZBBP-HZPDHXFCSA-N 0 1 311.470 1.428 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccnn3C)C2=O)n(C)n1 ZINC000193094413 408693665 /nfs/dbraw/zinc/69/36/65/408693665.db2.gz LYJKFRBEOKIIBE-STQMWFEESA-N 0 1 316.409 1.308 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccnn3C)C2=O)n(C)n1 ZINC000193094439 408694933 /nfs/dbraw/zinc/69/49/33/408694933.db2.gz LYJKFRBEOKIIBE-OLZOCXBDSA-N 0 1 316.409 1.308 10 0 DDAEMN Cc1csc(=O)n1CCN1CC[C@H](Oc2cccnc2)C1 ZINC000177736316 408698520 /nfs/dbraw/zinc/69/85/20/408698520.db2.gz CSYZXCOJUFBCFG-AWEZNQCLSA-N 0 1 305.403 1.767 10 0 DDAEMN CN(C)C(=O)[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1CO ZINC000253407323 408815253 /nfs/dbraw/zinc/81/52/53/408815253.db2.gz JSSUMYMLDNEXPN-WCQYABFASA-N 0 1 314.788 1.608 10 0 DDAEMN CCc1nn(C)c(CC)c1CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000190439456 163141838 /nfs/dbraw/zinc/14/18/38/163141838.db2.gz QTTVRUHWWGYWJW-AWEZNQCLSA-N 0 1 318.465 1.784 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000263227865 163934841 /nfs/dbraw/zinc/93/48/41/163934841.db2.gz HAEDFNZBEWGOPG-MRXNPFEDSA-N 0 1 302.374 1.781 10 0 DDAEMN CCN(C)CCNc1ncnc2ccc(S(C)(=O)=O)cc21 ZINC000302920412 409518694 /nfs/dbraw/zinc/51/86/94/409518694.db2.gz ZEAFXRZBTLCPLN-UHFFFAOYSA-N 0 1 308.407 1.397 10 0 DDAEMN CCOc1cncc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)n1 ZINC000343320196 410349773 /nfs/dbraw/zinc/34/97/73/410349773.db2.gz MHHUMFWSPOMHQR-MNOVXSKESA-N 0 1 304.354 1.268 10 0 DDAEMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000381782205 418729828 /nfs/dbraw/zinc/72/98/28/418729828.db2.gz FLFGTVGFYZCOJO-TWMKSMIVSA-N 0 1 319.401 1.749 10 0 DDAEMN O=C(N1CCC[C@](O)(c2c[nH]nn2)C1)C1(c2ccccc2)CC1 ZINC000583618996 422205822 /nfs/dbraw/zinc/20/58/22/422205822.db2.gz RTEWPVBLLBPSCP-QGZVFWFLSA-N 0 1 312.373 1.347 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653689 422243371 /nfs/dbraw/zinc/24/33/71/422243371.db2.gz UUABSQJTIWSKKM-AEGPPILISA-N 0 1 322.380 1.969 10 0 DDAEMN C[C@H](F)CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653689 422243375 /nfs/dbraw/zinc/24/33/75/422243375.db2.gz UUABSQJTIWSKKM-AEGPPILISA-N 0 1 322.380 1.969 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCF)[N@@H+]1Cc1ccccc1 ZINC000630662532 422249967 /nfs/dbraw/zinc/24/99/67/422249967.db2.gz FBXGALUVACAPHM-KBPBESRZSA-N 0 1 308.353 1.580 10 0 DDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCF)[N@H+]1Cc1ccccc1 ZINC000630662532 422249969 /nfs/dbraw/zinc/24/99/69/422249969.db2.gz FBXGALUVACAPHM-KBPBESRZSA-N 0 1 308.353 1.580 10 0 DDAEMN COCCN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630675241 422261712 /nfs/dbraw/zinc/26/17/12/422261712.db2.gz SWNBAWGRCQJMHC-GJZGRUSLSA-N 0 1 320.389 1.209 10 0 DDAEMN COCCN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630675241 422261718 /nfs/dbraw/zinc/26/17/18/422261718.db2.gz SWNBAWGRCQJMHC-GJZGRUSLSA-N 0 1 320.389 1.209 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000637966288 422515568 /nfs/dbraw/zinc/51/55/68/422515568.db2.gz XDWJNGUGESPFRN-QCEMKRCNSA-N 0 1 306.406 1.196 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616620950 422515822 /nfs/dbraw/zinc/51/58/22/422515822.db2.gz WUTFVDXVEPTNQV-LLVKDONJSA-N 0 1 309.414 1.696 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000194150025 263506037 /nfs/dbraw/zinc/50/60/37/263506037.db2.gz HRSGAMODMXUEIQ-OAHLLOKOSA-N 0 1 317.389 1.428 10 0 DDAEMN CC[C@H](O)CN1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000118858592 276643985 /nfs/dbraw/zinc/64/39/85/276643985.db2.gz DSOSXRCSTOZYRH-ZBFHGGJFSA-N 0 1 305.422 1.402 10 0 DDAEMN C[C@H]1NCCN(S(=O)(=O)c2c(F)cc(F)cc2F)[C@@H]1C ZINC000262807422 278513182 /nfs/dbraw/zinc/51/31/82/278513182.db2.gz XFKSYWDRIVFODA-HTQZYQBOSA-N 0 1 308.325 1.475 10 0 DDAEMN CC(C)CCN(CCC(C)C)C(=O)[C@H](N)CCS(C)(=O)=O ZINC000037804679 278761957 /nfs/dbraw/zinc/76/19/57/278761957.db2.gz YUVIMKVWQWJHHE-CQSZACIVSA-N 0 1 320.499 1.669 10 0 DDAEMN C[C@H](C(=O)NC1CCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173992187 279222325 /nfs/dbraw/zinc/22/23/25/279222325.db2.gz VPCYWLAYSSAKPF-ZBFHGGJFSA-N 0 1 309.454 1.230 10 0 DDAEMN COc1c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)nn1C ZINC000113343081 281071950 /nfs/dbraw/zinc/07/19/50/281071950.db2.gz KVYFPAJBBOECIW-LBPRGKRZSA-N 0 1 324.425 1.836 10 0 DDAEMN COCCN1CCN(CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000130196292 281370669 /nfs/dbraw/zinc/37/06/69/281370669.db2.gz YSFSNPXMDYYTCU-CYBMUJFWSA-N 0 1 301.431 1.164 10 0 DDAEMN CCc1cccc(CC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246635062 282003518 /nfs/dbraw/zinc/00/35/18/282003518.db2.gz JGBHLZCGOFUKKS-CABCVRRESA-N 0 1 304.434 1.705 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000262232990 293118680 /nfs/dbraw/zinc/11/86/80/293118680.db2.gz GZNAFGVPLAARMQ-DLOVCJGASA-N 0 1 302.296 1.651 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)CCO2)n[nH]1 ZINC000369086430 307115760 /nfs/dbraw/zinc/11/57/60/307115760.db2.gz WQSVQMVSODWWPV-ZJUUUORDSA-N 0 1 300.309 1.448 10 0 DDAEMN CC(C)c1nc2n(n1)C[C@H](Nc1ccncc1C(N)=O)CC2 ZINC000302207805 528337971 /nfs/dbraw/zinc/33/79/71/528337971.db2.gz FGLNSHWIRHDMFW-SNVBAGLBSA-N 0 1 300.366 1.322 10 0 DDAEMN CC[C@@H]1CN(Cc2c(C)nn(C)c2Cl)CCN1CCOC ZINC000105914437 696625520 /nfs/dbraw/zinc/62/55/20/696625520.db2.gz OYNZQWMSNCDWBS-CYBMUJFWSA-N 0 1 314.861 1.925 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000172349341 697366664 /nfs/dbraw/zinc/36/66/64/697366664.db2.gz PLARXZWHEOBXCB-CYBMUJFWSA-N 0 1 317.368 1.621 10 0 DDAEMN O=C(c1nnc2ccccc2c1O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181192660 697455577 /nfs/dbraw/zinc/45/55/77/697455577.db2.gz CAMJKALPJZSYIV-GFCCVEGCSA-N 0 1 324.344 1.409 10 0 DDAEMN COc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)cn1 ZINC000220621673 697755561 /nfs/dbraw/zinc/75/55/61/697755561.db2.gz CFGFQHQKCCXABH-GFCCVEGCSA-N 0 1 300.362 1.543 10 0 DDAEMN COC[C@@H](N)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000262227716 698460236 /nfs/dbraw/zinc/46/02/36/698460236.db2.gz GLTMLSZWOSDHJR-ZJUUUORDSA-N 0 1 307.177 1.117 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cnc(C(C)(C)C)nc2)C1 ZINC000263507046 698510985 /nfs/dbraw/zinc/51/09/85/698510985.db2.gz MJELDJFBQTULCN-UHFFFAOYSA-N 0 1 320.437 1.801 10 0 DDAEMN O=C([O-])CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309761665 698667470 /nfs/dbraw/zinc/66/74/70/698667470.db2.gz DVXSZWATHYYQRZ-SOUVJXGZSA-N 0 1 317.389 1.281 10 0 DDAEMN CCCCOC[C@H](O)CNCc1cn(C)nc1Br ZINC000720679468 699308042 /nfs/dbraw/zinc/30/80/42/699308042.db2.gz CVAKWBXDZBCXAV-LLVKDONJSA-N 0 1 320.231 1.450 10 0 DDAEMN O=C(c1ccoc1Br)N1CCC[C@@H]1c1nn[nH]n1 ZINC000720635910 699306868 /nfs/dbraw/zinc/30/68/68/699306868.db2.gz FMWQEBNGIQHYCV-SSDOTTSWSA-N 0 1 312.127 1.533 10 0 DDAEMN Cc1ccnc(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)n1 ZINC000886028031 708684361 /nfs/dbraw/zinc/68/43/61/708684361.db2.gz UOLQCSBDQPAJKI-MRXNPFEDSA-N 0 1 313.405 1.899 10 0 DDAEMN CCc1cnccc1C(=O)NC[C@@H]1CCO[C@@H]1c1n[nH]c(C)n1 ZINC000888093847 709211328 /nfs/dbraw/zinc/21/13/28/709211328.db2.gz ZCDNWTULNOJOPG-JSGCOSHPSA-N 0 1 315.377 1.578 10 0 DDAEMN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000900390289 709570394 /nfs/dbraw/zinc/57/03/94/709570394.db2.gz BIIWCPNMLHJWIK-KWQFWETISA-N 0 1 303.370 1.017 10 0 DDAEMN CCc1csc([C@@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)n1 ZINC000910732891 710058774 /nfs/dbraw/zinc/05/87/74/710058774.db2.gz FXINDXZFHMXIKM-BDAKNGLRSA-N 0 1 305.407 1.806 10 0 DDAEMN CCc1csc([C@@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)n1 ZINC000910732891 710058778 /nfs/dbraw/zinc/05/87/78/710058778.db2.gz FXINDXZFHMXIKM-BDAKNGLRSA-N 0 1 305.407 1.806 10 0 DDAEMN c1cc(C2CCN(c3nnnn3Cc3ccccc3)CC2)[nH]n1 ZINC000929057620 713540798 /nfs/dbraw/zinc/54/07/98/713540798.db2.gz JFLOAJZQAWKNLP-UHFFFAOYSA-N 0 1 309.377 1.829 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C/c2cccc(O)c2)C[C@H]1C ZINC000248402279 282080902 /nfs/dbraw/zinc/08/09/02/282080902.db2.gz NAIOQAIEDUWLOQ-AFJNRPGYSA-N 0 1 304.390 1.319 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(Br)c1 ZINC000074731565 185013601 /nfs/dbraw/zinc/01/36/01/185013601.db2.gz LBLGSRQDXOFQEN-UHFFFAOYSA-N 0 1 324.134 1.007 10 0 DDAEMN CCOCCN1CCN(C(=O)[C@@H]2CCOC[C@H]2C)C[C@@H]1CC ZINC000248740505 282104576 /nfs/dbraw/zinc/10/45/76/282104576.db2.gz DDUHBOJKXCGYGY-OWCLPIDISA-N 0 1 312.454 1.618 10 0 DDAEMN CCCc1[nH]nc(C(=O)N(CC)[C@@H](C)CC)c1S(N)(=O)=O ZINC000087895424 185235448 /nfs/dbraw/zinc/23/54/48/185235448.db2.gz FACRTDZLUCROCL-VIFPVBQESA-N 0 1 316.427 1.270 10 0 DDAEMN CCCNC(=O)Cn1c(N)nc2ccc(Br)cc21 ZINC000087836965 185232979 /nfs/dbraw/zinc/23/29/79/185232979.db2.gz CKAGLJCAXHPJQM-UHFFFAOYSA-N 0 1 311.183 1.907 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC(=O)OCC)c1ccc(C)cc1 ZINC000081977552 192347958 /nfs/dbraw/zinc/34/79/58/192347958.db2.gz PEEYUXODEFXLIR-CQSZACIVSA-N 0 1 313.419 1.624 10 0 DDAEMN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178690339 539232742 /nfs/dbraw/zinc/23/27/42/539232742.db2.gz RKTDJGNODDHDBC-WBVHZDCISA-N 0 1 320.437 1.006 10 0 DDAEMN CCC[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)N(C)C ZINC000179147740 539233656 /nfs/dbraw/zinc/23/36/56/539233656.db2.gz MVUCJYNKJNNGSG-HNNXBMFYSA-N 0 1 301.394 1.995 10 0 DDAEMN NNc1ncc(S(=O)(=O)Nc2ccc3sccc3c2)cn1 ZINC000088129062 185240249 /nfs/dbraw/zinc/24/02/49/185240249.db2.gz NPQSZTJDTVHXQG-UHFFFAOYSA-N 0 1 321.387 1.778 10 0 DDAEMN CNC(=O)[C@H](NCC(=O)Nc1sc(C)c(C)c1C)C(C)C ZINC000183679696 539242868 /nfs/dbraw/zinc/24/28/68/539242868.db2.gz AUXFOYFHFYXLPC-CYBMUJFWSA-N 0 1 311.451 1.972 10 0 DDAEMN COC(=O)[C@@H](C)S(=O)(=O)Nc1ncccc1Br ZINC000088448375 185251437 /nfs/dbraw/zinc/25/14/37/185251437.db2.gz WMZZALYFQVKUEA-ZCFIWIBFSA-N 0 1 323.168 1.147 10 0 DDAEMN CNCc1cn(CC(=O)Nc2nc3ccccc3s2)nn1 ZINC000090295471 185289967 /nfs/dbraw/zinc/28/99/67/185289967.db2.gz VZXUMJBTSDTKIH-UHFFFAOYSA-N 0 1 302.363 1.246 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(CO)cc1F ZINC000092678068 185333462 /nfs/dbraw/zinc/33/34/62/185333462.db2.gz GUJDRBFCVMHYDO-GFCCVEGCSA-N 0 1 316.398 1.033 10 0 DDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1NC ZINC000092672937 185332950 /nfs/dbraw/zinc/33/29/50/185332950.db2.gz KYUJAFKPWXTOSJ-ZDUSSCGKSA-N 0 1 311.451 1.833 10 0 DDAEMN O=C(Nc1ncccc1Br)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092783664 185341069 /nfs/dbraw/zinc/34/10/69/185341069.db2.gz HUEGFXKGMDZJPU-VIFPVBQESA-N 0 1 322.166 1.220 10 0 DDAEMN CN(C)c1ncccc1O[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000328641819 529815443 /nfs/dbraw/zinc/81/54/43/529815443.db2.gz YAMSPGJUCWYZSK-ZDUSSCGKSA-N 0 1 315.377 1.093 10 0 DDAEMN CN(c1ccncc1C(N)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000302046933 530037673 /nfs/dbraw/zinc/03/76/73/530037673.db2.gz VCHMIPHYGPNAJM-LBPRGKRZSA-N 0 1 312.377 1.076 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(F)c(F)c2F)n[nH]1 ZINC000080526993 192165266 /nfs/dbraw/zinc/16/52/66/192165266.db2.gz RKIKVZOTHYLHJU-UHFFFAOYSA-N 0 1 320.296 1.351 10 0 DDAEMN O=C(NCCCc1nc[nH]n1)c1cnc(Cl)c(Cl)c1 ZINC000080572851 192168696 /nfs/dbraw/zinc/16/86/96/192168696.db2.gz YYHNPDHLTPXLKX-UHFFFAOYSA-N 0 1 300.149 1.869 10 0 DDAEMN CCc1nc([C@@H]2CN(Cc3c(C)nn(C)c3C)CCO2)n[nH]1 ZINC000173688463 198240324 /nfs/dbraw/zinc/24/03/24/198240324.db2.gz VDTNQZADJFEFJV-ZDUSSCGKSA-N 0 1 304.398 1.291 10 0 DDAEMN C[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000173981929 198276319 /nfs/dbraw/zinc/27/63/19/198276319.db2.gz WBHMTGDCADCMOL-FZMZJTMJSA-N 0 1 324.808 1.838 10 0 DDAEMN Cc1csc(C(=O)N2CC[C@H]3OCCN[C@H]3C2)c1Cl ZINC000403980271 354671670 /nfs/dbraw/zinc/67/16/70/354671670.db2.gz ATHMFCZZACTJAY-VHSXEESVSA-N 0 1 300.811 1.913 10 0 DDAEMN COc1ccccc1CNC(=O)c1[nH]c(=O)nc2ccccc21 ZINC000074743535 191353398 /nfs/dbraw/zinc/35/33/98/191353398.db2.gz VSKAHVOXZCZCFO-UHFFFAOYSA-N 0 1 309.325 1.862 10 0 DDAEMN COc1ccc(S(=O)(=O)NCCN(C)C)cc1C(C)C ZINC000074934710 191388974 /nfs/dbraw/zinc/38/89/74/191388974.db2.gz VNVWFZILEJANIP-UHFFFAOYSA-N 0 1 300.424 1.659 10 0 DDAEMN NS(=O)(=O)[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)NC1 ZINC000080105979 192002130 /nfs/dbraw/zinc/00/21/30/192002130.db2.gz QQUJPBOMLGBRDY-GHMZBOCLSA-N 0 1 308.325 1.787 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)NC1 ZINC000080105972 192001515 /nfs/dbraw/zinc/00/15/15/192001515.db2.gz QQUJPBOMLGBRDY-QWRGUYRKSA-N 0 1 308.325 1.787 10 0 DDAEMN CCNc1ncc(S(=O)(=O)Nc2ncccn2)cc1Cl ZINC000081679497 192311733 /nfs/dbraw/zinc/31/17/33/192311733.db2.gz AQTAKRXMWULXLB-UHFFFAOYSA-N 0 1 313.770 1.758 10 0 DDAEMN CCNCc1c(F)ccc(S(=O)(=O)N[C@@H]2C[C@H]2C)c1F ZINC000089023824 192703355 /nfs/dbraw/zinc/70/33/55/192703355.db2.gz UWGCSUOSSDVDDC-LDYMZIIASA-N 0 1 304.362 1.761 10 0 DDAEMN CCO[C@@H]1C[C@](N)(C(=O)NCC[S@@](=O)C(C)(C)C)C1(C)C ZINC000187770203 200154005 /nfs/dbraw/zinc/15/40/05/200154005.db2.gz AIMIQJPLSQXLFC-VNBSIWGGSA-N 0 1 318.483 1.182 10 0 DDAEMN O=C([O-])c1ccc(Cl)nc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091672648 193089226 /nfs/dbraw/zinc/08/92/26/193089226.db2.gz RVZZOIXYPQXRLZ-ZJUUUORDSA-N 0 1 311.769 1.708 10 0 DDAEMN CCCc1nc([C@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687359 193091019 /nfs/dbraw/zinc/09/10/19/193091019.db2.gz LMZJOFWGWZBUGY-SECBINFHSA-N 0 1 316.199 1.488 10 0 DDAEMN CCCc1nc([C@@H]2CN(C)CCO2)[nH]c(=O)c1Br ZINC000091687356 193091443 /nfs/dbraw/zinc/09/14/43/193091443.db2.gz LMZJOFWGWZBUGY-VIFPVBQESA-N 0 1 316.199 1.488 10 0 DDAEMN Brc1cn2c(CNCc3cn[nH]c3)cnc2cn1 ZINC000092049580 193148114 /nfs/dbraw/zinc/14/81/14/193148114.db2.gz WONNTTKJCQAWFY-UHFFFAOYSA-N 0 1 307.155 1.505 10 0 DDAEMN C[C@H](NCC(C)(C)S(C)(=O)=O)C(=O)NC1CCCCC1 ZINC000093519599 193263125 /nfs/dbraw/zinc/26/31/25/193263125.db2.gz MLCCHGBZQKKXRF-NSHDSACASA-N 0 1 304.456 1.237 10 0 DDAEMN CC(C)(C)[N@@H+](CCC(=O)[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698191 193292897 /nfs/dbraw/zinc/29/28/97/193292897.db2.gz BUQIKIODRTTYOA-LBPRGKRZSA-N 0 1 320.455 1.233 10 0 DDAEMN CCCN[C@@H](C)c1csc(N2C(=O)C(C)(C)S2(=O)=O)n1 ZINC000094344208 193362325 /nfs/dbraw/zinc/36/23/25/193362325.db2.gz VFXBNKFEVLWMPW-QMMMGPOBSA-N 0 1 317.436 1.659 10 0 DDAEMN Cc1cc(N)c(C)c(S(=O)(=O)NC[C@H]2CCCCN2C)c1 ZINC000094358597 193364508 /nfs/dbraw/zinc/36/45/08/193364508.db2.gz GOABOFDQRNYWEM-CYBMUJFWSA-N 0 1 311.451 1.648 10 0 DDAEMN C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094226221 193351381 /nfs/dbraw/zinc/35/13/81/193351381.db2.gz NPIDJVOQETVFKZ-KWQFWETISA-N 0 1 311.304 1.176 10 0 DDAEMN C[C@@H]1CN2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1N ZINC000094457686 193370851 /nfs/dbraw/zinc/37/08/51/193370851.db2.gz HIUPMBKGQIUAEM-VXGBXAGGSA-N 0 1 309.435 1.345 10 0 DDAEMN Nc1ccc2c(cccc2S(=O)(=O)NCc2cnc[nH]2)c1 ZINC000094787688 193398481 /nfs/dbraw/zinc/39/84/81/193398481.db2.gz WCVSREYBFQHIOI-UHFFFAOYSA-N 0 1 302.359 1.624 10 0 DDAEMN Cc1n[nH]c(CNC2CC2)c1S(=O)(=O)N1CCC(C)(C)C1 ZINC000094814945 193399785 /nfs/dbraw/zinc/39/97/85/193399785.db2.gz PMGVWFHQBYTQSJ-UHFFFAOYSA-N 0 1 312.439 1.391 10 0 DDAEMN C[N@@H+]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(=O)[O-])C1 ZINC000020335292 182209248 /nfs/dbraw/zinc/20/92/48/182209248.db2.gz MSURWMOYCABXBW-VIFPVBQESA-N 0 1 310.375 1.552 10 0 DDAEMN C[N@H+]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(=O)[O-])C1 ZINC000020335292 182209249 /nfs/dbraw/zinc/20/92/49/182209249.db2.gz MSURWMOYCABXBW-VIFPVBQESA-N 0 1 310.375 1.552 10 0 DDAEMN COCc1nnc(SCc2nc3ccc(C)cc3[nH]2)n1N ZINC000020904812 182253494 /nfs/dbraw/zinc/25/34/94/182253494.db2.gz YCSBAYRXNVICRG-UHFFFAOYSA-N 0 1 304.379 1.615 10 0 DDAEMN CCCc1nn2c(nc(CSc3nnc(C)[nH]3)cc2=O)s1 ZINC000020983283 182257310 /nfs/dbraw/zinc/25/73/10/182257310.db2.gz FZTNZYKTFZRILN-UHFFFAOYSA-N 0 1 322.419 1.822 10 0 DDAEMN CCCc1nn2c(nc(CSc3nc(C)n[nH]3)cc2=O)s1 ZINC000020983283 182257311 /nfs/dbraw/zinc/25/73/11/182257311.db2.gz FZTNZYKTFZRILN-UHFFFAOYSA-N 0 1 322.419 1.822 10 0 DDAEMN O=C(c1coc(Br)c1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404070485 307297779 /nfs/dbraw/zinc/29/77/79/307297779.db2.gz LGJFSYJQMSCWHV-VHSXEESVSA-N 0 1 315.167 1.245 10 0 DDAEMN COC(=O)CCS(=O)(=O)Nc1cccc(Br)n1 ZINC000042536266 183281893 /nfs/dbraw/zinc/28/18/93/183281893.db2.gz XNGZINOTPZBMBT-UHFFFAOYSA-N 0 1 323.168 1.149 10 0 DDAEMN C[C@@H](C[N@@H+](C)CC(=O)NCCSc1ccccc1)C(=O)[O-] ZINC000042706879 183299842 /nfs/dbraw/zinc/29/98/42/183299842.db2.gz NKHRKLJZUIWAQE-LBPRGKRZSA-N 0 1 310.419 1.547 10 0 DDAEMN O=C(N[C@@H]1COc2ccccc21)N1CCN2CCCC[C@@H]2C1 ZINC000105205714 194084943 /nfs/dbraw/zinc/08/49/43/194084943.db2.gz MZDZBYAREUZMBY-UKRRQHHQSA-N 0 1 301.390 2.000 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccccc2F)CCN1CCOC ZINC000105836194 194142356 /nfs/dbraw/zinc/14/23/56/194142356.db2.gz MBHKTBWLNQDMJB-CQSZACIVSA-N 0 1 323.412 1.807 10 0 DDAEMN COC(=O)c1coc(CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105884570 194156789 /nfs/dbraw/zinc/15/67/89/194156789.db2.gz RPVYOOWNNVJHSW-LBPRGKRZSA-N 0 1 304.350 1.570 10 0 DDAEMN C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)N(C)C)Cn1cccn1 ZINC000106458780 194217911 /nfs/dbraw/zinc/21/79/11/194217911.db2.gz WDLQMKISOCDLBC-DOTOQJQBSA-N 0 1 314.433 1.808 10 0 DDAEMN C[C@@H](C(N)=S)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000109456605 194264632 /nfs/dbraw/zinc/26/46/32/194264632.db2.gz ZUGKKTFRZOSYNK-NSHDSACASA-N 0 1 309.410 1.187 10 0 DDAEMN Cc1cccc(CC(=O)N2CCN([C@@H](C)C(N)=S)CC2)c1 ZINC000109459509 194265978 /nfs/dbraw/zinc/26/59/78/194265978.db2.gz QIZOGAXADJDWPS-ZDUSSCGKSA-N 0 1 305.447 1.356 10 0 DDAEMN CN1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)CC1(C)C ZINC000110704312 194351606 /nfs/dbraw/zinc/35/16/06/194351606.db2.gz GDHIKDDMGHIMHR-UHFFFAOYSA-N 0 1 310.829 1.887 10 0 DDAEMN C[C@@H](NC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1)c1cccs1 ZINC000061145703 184163055 /nfs/dbraw/zinc/16/30/55/184163055.db2.gz ZUQPEPJEWRMSKV-LLVKDONJSA-N 0 1 311.407 1.611 10 0 DDAEMN CCC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000062878429 184257984 /nfs/dbraw/zinc/25/79/84/184257984.db2.gz SSPNDFCGZFCEPD-GFCCVEGCSA-N 0 1 310.316 1.632 10 0 DDAEMN Cc1cc(N)ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062975746 184264102 /nfs/dbraw/zinc/26/41/02/184264102.db2.gz TYBKICWZGKDCFM-CQSZACIVSA-N 0 1 309.435 1.436 10 0 DDAEMN O=C([O-])c1ccc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062985396 184265143 /nfs/dbraw/zinc/26/51/43/184265143.db2.gz CEFANBLSLZNTSA-LBPRGKRZSA-N 0 1 310.781 1.949 10 0 DDAEMN CC[C@H](C)NC(=O)c1cccc(NC(=O)CNCCOC)c1 ZINC000066224582 184397898 /nfs/dbraw/zinc/39/78/98/184397898.db2.gz OZFJWHJCPBZWHJ-LBPRGKRZSA-N 0 1 307.394 1.389 10 0 DDAEMN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)s1 ZINC000248113499 257109449 /nfs/dbraw/zinc/10/94/49/257109449.db2.gz RSCXBSIVDMKQES-QWHCGFSZSA-N 0 1 300.449 1.665 10 0 DDAEMN COCCNC(=O)C[C@@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1 ZINC000247845055 257115947 /nfs/dbraw/zinc/11/59/47/257115947.db2.gz METCEDJOIUKIFL-SNPRPXQTSA-N 0 1 308.378 1.022 10 0 DDAEMN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3c2ncc(F)cn2)cn1 ZINC000503719147 257207946 /nfs/dbraw/zinc/20/79/46/257207946.db2.gz ZLUWAPWLZMYIAH-KBPBESRZSA-N 0 1 302.357 1.202 10 0 DDAEMN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1c(F)cccc1F ZINC000085989260 407107147 /nfs/dbraw/zinc/10/71/47/407107147.db2.gz IAHNGDKVZMXNQW-BXKDBHETSA-N 0 1 305.346 1.794 10 0 DDAEMN CC[C@@](C)(O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000123046800 407317986 /nfs/dbraw/zinc/31/79/86/407317986.db2.gz FTCJODXEFZQAIX-QGZVFWFLSA-N 0 1 323.412 1.543 10 0 DDAEMN CC[C@](C)(O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000123046615 407318030 /nfs/dbraw/zinc/31/80/30/407318030.db2.gz FTCJODXEFZQAIX-KRWDZBQOSA-N 0 1 323.412 1.543 10 0 DDAEMN CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000105818153 407355970 /nfs/dbraw/zinc/35/59/70/407355970.db2.gz KXSQRJKGWHAIHJ-INIZCTEOSA-N 0 1 321.421 1.147 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000105818153 407355972 /nfs/dbraw/zinc/35/59/72/407355972.db2.gz KXSQRJKGWHAIHJ-INIZCTEOSA-N 0 1 321.421 1.147 10 0 DDAEMN CN(CC(=O)NCC1CCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000108867215 407392014 /nfs/dbraw/zinc/39/20/14/407392014.db2.gz MBQDXCOBRBHXSE-OAHLLOKOSA-N 0 1 317.437 1.294 10 0 DDAEMN CCc1nccn1[C@@H]1CCCN(CCNS(=O)(=O)CC)C1 ZINC000109329480 407396717 /nfs/dbraw/zinc/39/67/17/407396717.db2.gz APUYCMAAACUNGJ-CYBMUJFWSA-N 0 1 314.455 1.022 10 0 DDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCC(C)CC1 ZINC000126868557 407423120 /nfs/dbraw/zinc/42/31/20/407423120.db2.gz QQVYAJZAEJYOON-CYBMUJFWSA-N 0 1 305.426 1.524 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1OC ZINC000170239959 407440466 /nfs/dbraw/zinc/44/04/66/407440466.db2.gz IANXCOJDSKEWIU-VIFPVBQESA-N 0 1 302.334 1.566 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1OC ZINC000170239959 407440469 /nfs/dbraw/zinc/44/04/69/407440469.db2.gz IANXCOJDSKEWIU-VIFPVBQESA-N 0 1 302.334 1.566 10 0 DDAEMN CCc1nc([C@H]2CN(Cc3ccc4c[nH]nc4c3)CCO2)n[nH]1 ZINC000178392815 407441298 /nfs/dbraw/zinc/44/12/98/407441298.db2.gz LDAJSHSNSVMKGK-CQSZACIVSA-N 0 1 312.377 1.817 10 0 DDAEMN COC[C@@H](C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186640445 407726571 /nfs/dbraw/zinc/72/65/71/407726571.db2.gz AZFUUFZXMUUUDH-LLVKDONJSA-N 0 1 304.350 1.282 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000262312955 407794993 /nfs/dbraw/zinc/79/49/93/407794993.db2.gz PJBDLIUHQVGERL-CQSZACIVSA-N 0 1 319.336 1.603 10 0 DDAEMN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](N)COC)c1 ZINC000262300309 407787683 /nfs/dbraw/zinc/78/76/83/407787683.db2.gz NTWYPFNNESOOTA-FZMZJTMJSA-N 0 1 307.394 1.261 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000262324875 407801346 /nfs/dbraw/zinc/80/13/46/407801346.db2.gz QWIVMJXVKMPQDX-SNVBAGLBSA-N 0 1 317.183 1.048 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000262361999 407810981 /nfs/dbraw/zinc/81/09/81/407810981.db2.gz VRPKNQBBYINNFS-LLVKDONJSA-N 0 1 319.174 1.520 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000262379927 407817121 /nfs/dbraw/zinc/81/71/21/407817121.db2.gz XRGLMRIRBRUETF-AAEUAGOBSA-N 0 1 311.357 1.329 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000262402074 407826302 /nfs/dbraw/zinc/82/63/02/407826302.db2.gz ZVVPFVABRDFWFN-NSHDSACASA-N 0 1 320.418 1.776 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)o1 ZINC000180117811 407855569 /nfs/dbraw/zinc/85/55/69/407855569.db2.gz RQHDCEQKBQNVAX-ZDUSSCGKSA-N 0 1 320.349 1.456 10 0 DDAEMN Cc1cnn(CCNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000117812814 407862285 /nfs/dbraw/zinc/86/22/85/407862285.db2.gz NSXXQPDRFNYBGN-KRWDZBQOSA-N 0 1 312.417 1.972 10 0 DDAEMN CC(C)[C@H](C)NC(=O)CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262549002 407863458 /nfs/dbraw/zinc/86/34/58/407863458.db2.gz UMISDXJNNGICIT-KBPBESRZSA-N 0 1 313.442 1.018 10 0 DDAEMN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1nc[nH]n1 ZINC000238855976 407900247 /nfs/dbraw/zinc/90/02/47/407900247.db2.gz UKBZKACHYMBPMO-UHFFFAOYSA-N 0 1 315.179 1.268 10 0 DDAEMN O=C([C@@H]1CC(F)(F)CN1)N1CCCN(Cc2ccccc2)CC1 ZINC000262729580 407909251 /nfs/dbraw/zinc/90/92/51/407909251.db2.gz BJGLJAGJUIDPCY-HNNXBMFYSA-N 0 1 323.387 1.718 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C(C)C)nn2C)C1 ZINC000262729077 407910668 /nfs/dbraw/zinc/91/06/68/407910668.db2.gz UDLINPWFGZCLMD-UHFFFAOYSA-N 0 1 322.409 1.211 10 0 DDAEMN COCCN1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1C ZINC000181279273 407974208 /nfs/dbraw/zinc/97/42/08/407974208.db2.gz BPMUCQNXCFMGQF-ZDUSSCGKSA-N 0 1 307.442 1.235 10 0 DDAEMN COCCN1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1C ZINC000181279257 407974473 /nfs/dbraw/zinc/97/44/73/407974473.db2.gz BPMUCQNXCFMGQF-CYBMUJFWSA-N 0 1 307.442 1.235 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)CSC)CCN1CCOC ZINC000153890475 407925086 /nfs/dbraw/zinc/92/50/86/407925086.db2.gz LVJQSIGGBOHMHB-QWHCGFSZSA-N 0 1 303.472 1.490 10 0 DDAEMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC000262783144 407928370 /nfs/dbraw/zinc/92/83/70/407928370.db2.gz PMJMVUHGGUHBTC-JGVFFNPUSA-N 0 1 308.325 1.475 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262972758 407988287 /nfs/dbraw/zinc/98/82/87/407988287.db2.gz LZMOEXZFWWHBAC-OPRDCNLKSA-N 0 1 310.316 1.342 10 0 DDAEMN CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262972758 407988294 /nfs/dbraw/zinc/98/82/94/407988294.db2.gz LZMOEXZFWWHBAC-OPRDCNLKSA-N 0 1 310.316 1.342 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H]3CCC[C@@H]32)C1 ZINC000263465659 408146808 /nfs/dbraw/zinc/14/68/08/408146808.db2.gz JZMJFTPIHFGTBA-URGYJCLVSA-N 0 1 323.437 1.898 10 0 DDAEMN C[C@H](C(=O)Nc1ccccc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246479991 408266436 /nfs/dbraw/zinc/26/64/36/408266436.db2.gz OPPPZPYXPXJEGH-BFYDXBDKSA-N 0 1 317.433 1.666 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246307158 408211916 /nfs/dbraw/zinc/21/19/16/408211916.db2.gz ACNZPWJRACRUKJ-UONOGXRCSA-N 0 1 307.442 1.683 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCN1C[C@@H](C)O ZINC000182737553 408236098 /nfs/dbraw/zinc/23/60/98/408236098.db2.gz PUQGYIBGUUHEPA-OCCSQVGLSA-N 0 1 316.405 1.480 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)CSC)CCO2)n[nH]1 ZINC000141384920 162133765 /nfs/dbraw/zinc/13/37/65/162133765.db2.gz LHGFPJHVMSQOAV-NXEZZACHSA-N 0 1 313.427 1.202 10 0 DDAEMN O=C(C(=O)N1CCN2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1 ZINC000172116718 162260238 /nfs/dbraw/zinc/26/02/38/162260238.db2.gz ZGPUMDGAFLSDFD-MRXNPFEDSA-N 0 1 324.384 1.362 10 0 DDAEMN CCc1ccsc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000173530824 162345932 /nfs/dbraw/zinc/34/59/32/162345932.db2.gz FYGFJEJEQJVAHP-LLVKDONJSA-N 0 1 306.391 1.951 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(C)c(C)c3)CCO2)n[nH]1 ZINC000173543570 162347660 /nfs/dbraw/zinc/34/76/60/162347660.db2.gz GMBIZSSRKLKULM-CQSZACIVSA-N 0 1 300.362 1.944 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cn4c(cccc4C)n3)CCO2)n[nH]1 ZINC000173665009 162354746 /nfs/dbraw/zinc/35/47/46/162354746.db2.gz BIGVHXPRCGRFDY-AWEZNQCLSA-N 0 1 312.377 1.643 10 0 DDAEMN Cc1nc([C@H]2CN(Cc3cnn(-c4ccccc4)c3)CCO2)n[nH]1 ZINC000173664867 162355947 /nfs/dbraw/zinc/35/59/47/162355947.db2.gz ALRRJVWUBRBYJI-MRXNPFEDSA-N 0 1 324.388 1.872 10 0 DDAEMN Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3)CCO2)n[nH]1 ZINC000173733511 162359825 /nfs/dbraw/zinc/35/98/25/162359825.db2.gz MAHNWHREOAXMQS-ZDUSSCGKSA-N 0 1 322.390 1.184 10 0 DDAEMN Cc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(F)cc1F ZINC000247019430 408391560 /nfs/dbraw/zinc/39/15/60/408391560.db2.gz SJHDPESOJCQZNS-NSHDSACASA-N 0 1 316.373 1.742 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(F)cc3F)CCO2)n[nH]1 ZINC000176949188 408481367 /nfs/dbraw/zinc/48/13/67/408481367.db2.gz GCMFISUBYGDFPH-GFCCVEGCSA-N 0 1 323.303 1.997 10 0 DDAEMN Cc1nccc(N2CCN(C[C@](C)(O)c3ccccc3)CC2)n1 ZINC000183791566 408488425 /nfs/dbraw/zinc/48/84/25/408488425.db2.gz UBFBFRCCIDGMMD-SFHVURJKSA-N 0 1 312.417 1.815 10 0 DDAEMN O=S(=O)(Cc1c(F)cccc1F)N1CCN2CCC[C@H]2C1 ZINC000247977693 408522641 /nfs/dbraw/zinc/52/26/41/408522641.db2.gz GREQYPYIMBFQTC-NSHDSACASA-N 0 1 316.373 1.575 10 0 DDAEMN COCCN1CCN(c2ncccc2C(=O)OC(C)C)C[C@@H]1C ZINC000184110518 408549977 /nfs/dbraw/zinc/54/99/77/408549977.db2.gz YEWIVWNILLADRQ-AWEZNQCLSA-N 0 1 321.421 1.804 10 0 DDAEMN CN1CCO[C@@H](CN[C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000162109642 408671719 /nfs/dbraw/zinc/67/17/19/408671719.db2.gz MRACXZWJEAOADP-DZGCQCFKSA-N 0 1 321.396 1.241 10 0 DDAEMN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161666128 408625131 /nfs/dbraw/zinc/62/51/31/408625131.db2.gz XVSZZPUPXQHIRK-GXFFZTMASA-N 0 1 310.398 1.536 10 0 DDAEMN CCC[C@H](C(=O)NCC(=O)N(CC)Cc1ccccc1)N(C)C ZINC000161768082 408636423 /nfs/dbraw/zinc/63/64/23/408636423.db2.gz QJUMRPLASZTJTA-MRXNPFEDSA-N 0 1 319.449 1.882 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000177753212 408700169 /nfs/dbraw/zinc/70/01/69/408700169.db2.gz FWJIDXYBZMMFLN-IKGGRYGDSA-N 0 1 321.465 1.327 10 0 DDAEMN CCCCOC[C@@H](O)C[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000195145915 408813644 /nfs/dbraw/zinc/81/36/44/408813644.db2.gz XRAWJXYOWQTERW-KGLIPLIRSA-N 0 1 307.456 1.063 10 0 DDAEMN CCCCOC[C@@H](O)CN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000195145915 408813647 /nfs/dbraw/zinc/81/36/47/408813647.db2.gz XRAWJXYOWQTERW-KGLIPLIRSA-N 0 1 307.456 1.063 10 0 DDAEMN CC[N@H+]1CCC[C@H](NC(=O)N2CCC(c3nncn3C)CC2)C1 ZINC000194177187 163276486 /nfs/dbraw/zinc/27/64/86/163276486.db2.gz ZBXHZBRUQSEWEM-AWEZNQCLSA-N 0 1 320.441 1.188 10 0 DDAEMN CCc1nnc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000195111177 163307477 /nfs/dbraw/zinc/30/74/77/163307477.db2.gz CNSMTOUTEXULIE-QLFBSQMISA-N 0 1 321.469 1.451 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2ccccc2)C1 ZINC000262890701 163890010 /nfs/dbraw/zinc/89/00/10/163890010.db2.gz CAEBGUNERMAAFV-LRVUVFPRSA-N 0 1 319.405 1.984 10 0 DDAEMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@H]1C[C@H](F)CN1 ZINC000188529515 306720879 /nfs/dbraw/zinc/72/08/79/306720879.db2.gz OHLZPMUMGSAJJC-WDEREUQCSA-N 0 1 324.356 1.907 10 0 DDAEMN O=c1[nH]cnc(N[C@@H]2CCC[C@@H]2O)c1I ZINC000306502535 409774029 /nfs/dbraw/zinc/77/40/29/409774029.db2.gz UGFTVPJFXRDWDI-RITPCOANSA-N 0 1 321.118 1.112 10 0 DDAEMN CN(C[C@@H]1CCCN(C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000301315723 410698550 /nfs/dbraw/zinc/69/85/50/410698550.db2.gz MUAOFTINIBMOKM-GFCCVEGCSA-N 0 1 307.419 1.409 10 0 DDAEMN CCOCCN1CCN(c2ccc3nccnc3n2)C[C@H]1C ZINC000301229535 410680623 /nfs/dbraw/zinc/68/06/23/410680623.db2.gz IQEXMISPAUNWIU-CYBMUJFWSA-N 0 1 301.394 1.572 10 0 DDAEMN O=C(c1nccc2ccccc21)N1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000583618852 422204900 /nfs/dbraw/zinc/20/49/00/422204900.db2.gz SPIMQFLFBFRRHW-INIZCTEOSA-N 0 1 309.329 1.087 10 0 DDAEMN C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C[NH3+] ZINC000638893174 423181133 /nfs/dbraw/zinc/18/11/33/423181133.db2.gz LSQZHNBWZOTJBQ-DTWKUNHWSA-N 0 1 313.195 1.822 10 0 DDAEMN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cncn2C)CC1 ZINC000191981184 263465564 /nfs/dbraw/zinc/46/55/64/263465564.db2.gz ALAUKLKWXDEOLO-UHFFFAOYSA-N 0 1 322.453 1.658 10 0 DDAEMN C[C@H](O)CN1CCN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000247073383 290115654 /nfs/dbraw/zinc/11/56/54/290115654.db2.gz GQSFORPLYCUPPA-PMPSAXMXSA-N 0 1 311.470 1.020 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC000108893711 696635889 /nfs/dbraw/zinc/63/58/89/696635889.db2.gz IRUYOSUKBHHKFX-OAHLLOKOSA-N 0 1 304.390 1.135 10 0 DDAEMN O=S(=O)(C1=Cc2ccccc2OC1)N1CCN2CCC[C@@H]2C1 ZINC000187899584 697551116 /nfs/dbraw/zinc/55/11/16/697551116.db2.gz JSHBWNKKCZYZGY-CQSZACIVSA-N 0 1 320.414 1.530 10 0 DDAEMN Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000193934953 697685886 /nfs/dbraw/zinc/68/58/86/697685886.db2.gz PAIDUJWGAUJJKJ-LLVKDONJSA-N 0 1 323.397 1.633 10 0 DDAEMN COC[C@H](N)C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000262247500 698461257 /nfs/dbraw/zinc/46/12/57/698461257.db2.gz IISXJIJOZOLPHQ-HOTGVXAUSA-N 0 1 322.405 1.177 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(F)cc2C)C1 ZINC000263103445 698491268 /nfs/dbraw/zinc/49/12/68/698491268.db2.gz IZRLJGVTOXCSHK-UHFFFAOYSA-N 0 1 308.353 1.801 10 0 DDAEMN Cc1ccc(N2CC[C@@H]([N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000263399166 698504727 /nfs/dbraw/zinc/50/47/27/698504727.db2.gz ZTVLIYVGAYEJKU-BPLDGKMQSA-N 0 1 302.374 1.753 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCC2(CC)CCC2)C1 ZINC000263487732 698509946 /nfs/dbraw/zinc/50/99/46/698509946.db2.gz PYQFYHQLYJGFQJ-UHFFFAOYSA-N 0 1 311.426 1.803 10 0 DDAEMN C[C@H](CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000263528324 698511520 /nfs/dbraw/zinc/51/15/20/698511520.db2.gz VEAMMFNPIGZKFC-CZUORRHYSA-N 0 1 324.396 1.646 10 0 DDAEMN O=C([O-])CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309761661 698667232 /nfs/dbraw/zinc/66/72/32/698667232.db2.gz DVXSZWATHYYQRZ-RBSFLKMASA-N 0 1 317.389 1.281 10 0 DDAEMN C[C@@H](c1ccc(F)nc1)N1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000930773734 713916993 /nfs/dbraw/zinc/91/69/93/713916993.db2.gz GZMFOUHNDQMNAJ-LRDDRELGSA-N 0 1 309.385 1.587 10 0 DDAEMN CC[C@@H]1CN([C@@H]2CCCN(C(C)C)C2=O)CCN1C[C@H](C)O ZINC000248370814 282080023 /nfs/dbraw/zinc/08/00/23/282080023.db2.gz XZJBLUSGQWLAPB-ARFHVFGLSA-N 0 1 311.470 1.163 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2nccs2)CCN1C[C@H](C)O ZINC000248457595 282085149 /nfs/dbraw/zinc/08/51/49/282085149.db2.gz PCIHHXACZZATPF-RYUDHWBXSA-N 0 1 312.439 1.130 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2cncc(C)c2)CCN1C[C@H](C)O ZINC000248497001 282087690 /nfs/dbraw/zinc/08/76/90/282087690.db2.gz RBCVSVUCIQCDIF-HOCLYGCPSA-N 0 1 320.437 1.377 10 0 DDAEMN COCCS(=O)(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000081944819 192345253 /nfs/dbraw/zinc/34/52/53/192345253.db2.gz PUTNLOHBIZEUSD-LLVKDONJSA-N 0 1 311.325 1.766 10 0 DDAEMN O[C@@H](Cc1ccc(I)cc1)c1c[nH]nn1 ZINC000087599503 185229112 /nfs/dbraw/zinc/22/91/12/185229112.db2.gz JIFBZEPBFQQGPB-JTQLQIEISA-N 0 1 315.114 1.685 10 0 DDAEMN NC(=O)COC[C@H](N)c1cc(Cl)c(Br)s1 ZINC000087628124 185229542 /nfs/dbraw/zinc/22/95/42/185229542.db2.gz AFJWZIFMIPCATR-YFKPBYRVSA-N 0 1 313.604 1.666 10 0 DDAEMN CCCc1[nH]nc(C(=O)N2CCCC[C@@H]2C)c1S(N)(=O)=O ZINC000087891994 185234932 /nfs/dbraw/zinc/23/49/32/185234932.db2.gz HLKOGOHQDQVISJ-VIFPVBQESA-N 0 1 314.411 1.024 10 0 DDAEMN Cc1cnc([C@@H](NC[C@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344408 539246052 /nfs/dbraw/zinc/24/60/52/539246052.db2.gz KIXKYIGBUBEBKN-JSGCOSHPSA-N 0 1 309.435 1.476 10 0 DDAEMN CCNc1ncc(S(=O)(=O)NCc2cnc[nH]2)cc1Cl ZINC000088752729 185263916 /nfs/dbraw/zinc/26/39/16/185263916.db2.gz YAPDFXJXCUREFV-UHFFFAOYSA-N 0 1 315.786 1.368 10 0 DDAEMN O=S(=O)(c1cccc(CO)c1)N1CC[C@H](N2CCCC2)C1 ZINC000088873248 185267673 /nfs/dbraw/zinc/26/76/73/185267673.db2.gz GIVHSGDAKRWAMZ-AWEZNQCLSA-N 0 1 310.419 1.038 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(C)Cc1cccc(F)c1 ZINC000088877782 185268236 /nfs/dbraw/zinc/26/82/36/185268236.db2.gz GEWIPIWVJKXOEC-UHFFFAOYSA-N 0 1 313.354 1.170 10 0 DDAEMN O=C([C@H]1CCCN1Cc1cccc(Cl)n1)N1CCNCC1 ZINC000092366696 185314368 /nfs/dbraw/zinc/31/43/68/185314368.db2.gz WQYGRLNNPVQOFY-CYBMUJFWSA-N 0 1 308.813 1.131 10 0 DDAEMN Cc1csc2nc(C[N@@H+](CC(=O)[O-])C(C)(C)C)cc(=O)n12 ZINC000092448965 185319308 /nfs/dbraw/zinc/31/93/08/185319308.db2.gz KYCUFYHAFDCDSY-UHFFFAOYSA-N 0 1 309.391 1.750 10 0 DDAEMN CCc1nc([C@@H]2CN(c3nc(C(C)C)ns3)CCO2)n[nH]1 ZINC000301965456 529700739 /nfs/dbraw/zinc/70/07/39/529700739.db2.gz UVQPNMDYWWZKLN-VIFPVBQESA-N 0 1 308.411 1.920 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cccc(F)c1N ZINC000092622499 185329779 /nfs/dbraw/zinc/32/97/79/185329779.db2.gz HJCYEVKMEUQPKK-SNVBAGLBSA-N 0 1 301.387 1.123 10 0 DDAEMN CC(C)N(Cc1cccs1)C(=O)[C@H]1Cc2nc[nH]c2CN1 ZINC000092781611 185340146 /nfs/dbraw/zinc/34/01/46/185340146.db2.gz FGGJSFNXDUSRHN-CYBMUJFWSA-N 0 1 304.419 1.923 10 0 DDAEMN CC(C)[C@@H](NC(=O)[C@@H]1Cc2nc[nH]c2CN1)c1cccs1 ZINC000092780272 185340279 /nfs/dbraw/zinc/34/02/79/185340279.db2.gz LUPVKAMZYUOXML-SMDDNHRTSA-N 0 1 304.419 1.999 10 0 DDAEMN Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2Cc3nc[nH]c3CN2)s1 ZINC000092783255 185340353 /nfs/dbraw/zinc/34/03/53/185340353.db2.gz NIVYZHUBBDKDOY-RNCFNFMXSA-N 0 1 304.419 1.541 10 0 DDAEMN COc1c(CN2CCC[C@H](Cc3noc(C)n3)C2)c(C)nn1C ZINC000092814085 185343697 /nfs/dbraw/zinc/34/36/97/185343697.db2.gz ZNERYMOBBFZMLO-CYBMUJFWSA-N 0 1 319.409 1.883 10 0 DDAEMN CC1(C)C(NS(=O)(=O)c2cccc(F)c2CN)C1(C)C ZINC000092817197 185343949 /nfs/dbraw/zinc/34/39/49/185343949.db2.gz HKAAGKCJUMWUPP-UHFFFAOYSA-N 0 1 300.399 1.997 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1c1nnc[nH]1 ZINC000616645943 362767534 /nfs/dbraw/zinc/76/75/34/362767534.db2.gz MHFUPVXVSXRUJE-LLVKDONJSA-N 0 1 311.386 1.093 10 0 DDAEMN C[C@@H]1CC[C@@H](n2nnc(CN)c2I)C1 ZINC000675051954 539562691 /nfs/dbraw/zinc/56/26/91/539562691.db2.gz YIWROCSWZXMWSX-RNFRBKRXSA-N 0 1 306.151 1.703 10 0 DDAEMN CN(Cc1nnc[nH]1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000080524875 192164952 /nfs/dbraw/zinc/16/49/52/192164952.db2.gz RQKZAFZPPNMZGK-UHFFFAOYSA-N 0 1 306.194 1.772 10 0 DDAEMN Nc1ccc(Br)c(C(=O)NCCCc2nc[nH]n2)c1 ZINC000080554856 192167838 /nfs/dbraw/zinc/16/78/38/192167838.db2.gz DFCUXWSVVOYADO-UHFFFAOYSA-N 0 1 324.182 1.512 10 0 DDAEMN CC(=O)N1CCC[C@H](c2ccc(N3CCN(C)CC3)cn2)C1 ZINC000072364705 191132973 /nfs/dbraw/zinc/13/29/73/191132973.db2.gz HKLGCSMSCCGEQM-HNNXBMFYSA-N 0 1 302.422 1.559 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000174079016 198288883 /nfs/dbraw/zinc/28/88/83/198288883.db2.gz LGNGAMIRDWEIJD-MRXNPFEDSA-N 0 1 302.422 1.531 10 0 DDAEMN CC[C@@H](O)CN1CCN(Cc2cn3cc(C)ccc3n2)CC1 ZINC000174087766 198290393 /nfs/dbraw/zinc/29/03/93/198290393.db2.gz QCQGXIMPZCVSBA-MRXNPFEDSA-N 0 1 302.422 1.531 10 0 DDAEMN CCCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000074932454 191390451 /nfs/dbraw/zinc/39/04/51/191390451.db2.gz BAEYCLCLRLIRCC-UHFFFAOYSA-N 0 1 315.347 1.412 10 0 DDAEMN C[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2c[nH]c(C)n2)n1 ZINC000080868260 192196678 /nfs/dbraw/zinc/19/66/78/192196678.db2.gz NZKMTOSTTAMAMP-ZCFIWIBFSA-N 0 1 301.397 1.256 10 0 DDAEMN COc1ccc(NC(=O)[C@]2(N)CCOC2)c(C(F)(F)F)c1 ZINC000085870530 192536203 /nfs/dbraw/zinc/53/62/03/192536203.db2.gz FWXOELJTHVAWOB-LBPRGKRZSA-N 0 1 304.268 1.770 10 0 DDAEMN Cn1cc([C@@H]2CCC[N@H+]2CC(=O)[N-]OCc2ccccc2)cn1 ZINC000180471686 199162957 /nfs/dbraw/zinc/16/29/57/199162957.db2.gz HZLAXJDKHBUQKU-INIZCTEOSA-N 0 1 314.389 1.805 10 0 DDAEMN COc1ccc([C@@H](C)C(=O)NCCN2CCCOCC2)cc1 ZINC000189362374 200387834 /nfs/dbraw/zinc/38/78/34/200387834.db2.gz SKXRGQZULQVTAO-CQSZACIVSA-N 0 1 306.406 1.637 10 0 DDAEMN Cc1cc(CNC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)on1 ZINC000194681148 201273178 /nfs/dbraw/zinc/27/31/78/201273178.db2.gz XVLCLHZBIMXIHZ-ZDUSSCGKSA-N 0 1 322.409 1.378 10 0 DDAEMN CC[N@H+]1CCN(C(=O)N2CCSC[C@@H]2CC(=O)[O-])C[C@@H]1C ZINC000091133101 193000230 /nfs/dbraw/zinc/00/02/30/193000230.db2.gz CIVMKMJKTBACEQ-RYUDHWBXSA-N 0 1 315.439 1.025 10 0 DDAEMN Cc1nsc(N)c1-c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000093016450 193194653 /nfs/dbraw/zinc/19/46/53/193194653.db2.gz TZVQKSQLPCTJBR-BDAKNGLRSA-N 0 1 307.379 1.619 10 0 DDAEMN CCOc1ccccc1[C@H](N)CN(C)CCS(C)(=O)=O ZINC000094298458 193358137 /nfs/dbraw/zinc/35/81/37/193358137.db2.gz KMNGXXPRQABQKE-CYBMUJFWSA-N 0 1 300.424 1.062 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CC[N@H+]1C ZINC000094227026 193351657 /nfs/dbraw/zinc/35/16/57/193351657.db2.gz SUTJVPSPGUIVLD-KCJUWKMLSA-N 0 1 311.304 1.128 10 0 DDAEMN CC(C)N1CCC(O)([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094639146 193387861 /nfs/dbraw/zinc/38/78/61/193387861.db2.gz PPOMHQUPDDHNEG-ZIAGYGMSSA-N 0 1 303.468 1.825 10 0 DDAEMN CCOCCCC(=O)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000095036038 193414930 /nfs/dbraw/zinc/41/49/30/193414930.db2.gz MIDCIWMDCVIKMA-UHFFFAOYSA-N 0 1 301.456 1.012 10 0 DDAEMN COc1ncnc2c1[nH]c(=S)n2C[C@@H](C)N1CCCCC1 ZINC000094739018 193395036 /nfs/dbraw/zinc/39/50/36/193395036.db2.gz HAWDOCPUXPJKJD-SNVBAGLBSA-N 0 1 307.423 1.998 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000094779655 193397507 /nfs/dbraw/zinc/39/75/07/193397507.db2.gz KLOBZTRKZKBUPG-LLVKDONJSA-N 0 1 315.414 1.431 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000021509213 182276641 /nfs/dbraw/zinc/27/66/41/182276641.db2.gz GYQPQYUFIBDSIS-LBPRGKRZSA-N 0 1 312.391 1.147 10 0 DDAEMN Cc1cccnc1NS(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000021789809 182289089 /nfs/dbraw/zinc/28/90/89/182289089.db2.gz CKCORBBHFOFHCF-UHFFFAOYSA-N 0 1 307.400 1.825 10 0 DDAEMN CC(=O)c1cccc(S(=O)(=O)NC[C@H](C(C)C)N(C)C)c1 ZINC000040429976 183065897 /nfs/dbraw/zinc/06/58/97/183065897.db2.gz HOXBRLVPHYPZPF-OAHLLOKOSA-N 0 1 312.435 1.754 10 0 DDAEMN O=C([O-])CN(C(=O)[C@H]1CSC[NH2+]1)c1ccc(Cl)cc1 ZINC000040484698 183077809 /nfs/dbraw/zinc/07/78/09/183077809.db2.gz NMGBNPIZOZPYNO-SNVBAGLBSA-N 0 1 300.767 1.420 10 0 DDAEMN O=C([O-])c1ccc(Cl)c(NC(=O)C[N@@H+](CCO)C2CC2)c1 ZINC000042480086 183275287 /nfs/dbraw/zinc/27/52/87/183275287.db2.gz BXBLJGYYKUWDTM-UHFFFAOYSA-N 0 1 312.753 1.433 10 0 DDAEMN O=C([O-])c1ccc(Cl)c(NC(=O)C[N@H+](CCO)C2CC2)c1 ZINC000042480086 183275289 /nfs/dbraw/zinc/27/52/89/183275289.db2.gz BXBLJGYYKUWDTM-UHFFFAOYSA-N 0 1 312.753 1.433 10 0 DDAEMN CCCN(CC(F)(F)F)S(=O)(=O)c1ccnc(NN)c1 ZINC000042782287 183308362 /nfs/dbraw/zinc/30/83/62/183308362.db2.gz FHOUNELSSFGNPQ-UHFFFAOYSA-N 0 1 312.317 1.330 10 0 DDAEMN COc1ccc(NC(=O)[C@@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000043708473 183382864 /nfs/dbraw/zinc/38/28/64/183382864.db2.gz HXGVJCVPLBDHAN-NSHDSACASA-N 0 1 304.268 1.641 10 0 DDAEMN NCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000043428257 183361795 /nfs/dbraw/zinc/36/17/95/183361795.db2.gz CVCICLZVGQGGSB-WDEREUQCSA-N 0 1 302.421 1.149 10 0 DDAEMN CCOc1ncccc1CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105118459 194075685 /nfs/dbraw/zinc/07/56/85/194075685.db2.gz VYTRBNWIDDHHFA-HNNXBMFYSA-N 0 1 318.421 1.860 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CCOC ZINC000105836685 194142755 /nfs/dbraw/zinc/14/27/55/194142755.db2.gz GHFLQRLNEKXETO-MRXNPFEDSA-N 0 1 323.481 1.334 10 0 DDAEMN Cn1cc(CN2CCCN(Cc3cn4ccccc4n3)CC2)cn1 ZINC000105869329 194150957 /nfs/dbraw/zinc/15/09/57/194150957.db2.gz CABSRBZCYWIPGS-UHFFFAOYSA-N 0 1 324.432 1.776 10 0 DDAEMN COCCN1CCN(Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000106109556 194188242 /nfs/dbraw/zinc/18/82/42/194188242.db2.gz NDOBASSZCWSVLD-AWEZNQCLSA-N 0 1 306.406 1.626 10 0 DDAEMN C[C@H](CNC(=O)[C@@H](Cc1ccccc1)N(C)C)Cn1cccn1 ZINC000106458781 194217803 /nfs/dbraw/zinc/21/78/03/194217803.db2.gz WDLQMKISOCDLBC-NVXWUHKLSA-N 0 1 314.433 1.808 10 0 DDAEMN C[N@H+]1CCCN(c2ncc(Br)cc2C(=O)[O-])CC1 ZINC000050043190 183768691 /nfs/dbraw/zinc/76/86/91/183768691.db2.gz KQJASPNQALLKDK-UHFFFAOYSA-N 0 1 314.183 1.684 10 0 DDAEMN CCC[C@H](C(N)=S)N1CCN(C(=O)C2CCOCC2)CC1 ZINC000109464922 194266149 /nfs/dbraw/zinc/26/61/49/194266149.db2.gz JMOFVPJNKVXBDP-CYBMUJFWSA-N 0 1 313.467 1.012 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H](C(N)=S)c2ccccc2)CCN1C ZINC000110753206 194356285 /nfs/dbraw/zinc/35/62/85/194356285.db2.gz DHTRKMOXTCWIRI-KGLIPLIRSA-N 0 1 305.447 1.609 10 0 DDAEMN Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000061644663 184180471 /nfs/dbraw/zinc/18/04/71/184180471.db2.gz DOUYSSSKTXDKPT-VIFPVBQESA-N 0 1 323.871 1.820 10 0 DDAEMN CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000062935845 184260906 /nfs/dbraw/zinc/26/09/06/184260906.db2.gz XPUTXPVTOVTESY-CQSZACIVSA-N 0 1 311.407 1.070 10 0 DDAEMN Cn1ncc2c1nc(CSc1ccc(O)cc1)nc2NN ZINC000063084361 184269892 /nfs/dbraw/zinc/26/98/92/184269892.db2.gz YWIASHBNLVSFRT-UHFFFAOYSA-N 0 1 302.363 1.647 10 0 DDAEMN CCN(CC)CC(=O)Nc1cccc(C(=O)NCCCOC)c1 ZINC000066212139 184397227 /nfs/dbraw/zinc/39/72/27/184397227.db2.gz HNKHXJDCNNRRHU-UHFFFAOYSA-N 0 1 321.421 1.733 10 0 DDAEMN CC(C)S(=O)(=O)CCCN1CCC[C@@H](Cn2cncn2)C1 ZINC000120506668 195180750 /nfs/dbraw/zinc/18/07/50/195180750.db2.gz BWZDVRJSIGVEKC-CQSZACIVSA-N 0 1 314.455 1.203 10 0 DDAEMN Cn1cc(CN2CC[C@@]3(C2)C[C@H](N2CCCC2=O)CCO3)cn1 ZINC000248109474 257109580 /nfs/dbraw/zinc/10/95/80/257109580.db2.gz GTEZNGDMHNFYMJ-WBVHZDCISA-N 0 1 318.421 1.166 10 0 DDAEMN O=C(C[C@@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1)N1CCCCO1 ZINC000247800219 257117245 /nfs/dbraw/zinc/11/72/45/257117245.db2.gz UUTNKCXKMPOAST-KBMXLJTQSA-N 0 1 320.389 1.813 10 0 DDAEMN CCO[C@H]1C[C@@H](N(C)CC(=O)NC2CCOCC2)C12CCCC2 ZINC000121154696 195300283 /nfs/dbraw/zinc/30/02/83/195300283.db2.gz KPWALMYABMPEJV-CVEARBPZSA-N 0 1 324.465 1.951 10 0 DDAEMN CCOCCN1CCN([C@@H](C)C(=O)N(CC)CC)C[C@H]1CC ZINC000105838158 286090244 /nfs/dbraw/zinc/09/02/44/286090244.db2.gz YYBKLYVMKDTXJV-JKSUJKDBSA-N 0 1 313.486 1.676 10 0 DDAEMN COC(=O)c1cc(CN(C)C[C@H](O)COC(C)(C)C)oc1C ZINC000053442831 407168466 /nfs/dbraw/zinc/16/84/66/407168466.db2.gz QYJCOTYQZIUDOS-LBPRGKRZSA-N 0 1 313.394 1.982 10 0 DDAEMN O=C([C@H]1CCCc2[nH]ncc21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123172191 407322017 /nfs/dbraw/zinc/32/20/17/407322017.db2.gz MDXJTSISQTYJCU-KGLIPLIRSA-N 0 1 312.373 1.905 10 0 DDAEMN NC(=O)c1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1F ZINC000111753792 407415730 /nfs/dbraw/zinc/41/57/30/407415730.db2.gz YNGOFAQWBDHJOY-GFCCVEGCSA-N 0 1 320.368 1.627 10 0 DDAEMN CCS(=O)(=O)NCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000151711152 407484492 /nfs/dbraw/zinc/48/44/92/407484492.db2.gz YQQYGHOYSCBCQD-CYBMUJFWSA-N 0 1 300.428 1.266 10 0 DDAEMN COC(=O)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000151728746 407486988 /nfs/dbraw/zinc/48/69/88/407486988.db2.gz QLZKJWZJRQYWRI-CQSZACIVSA-N 0 1 322.380 1.519 10 0 DDAEMN CCO[C@H]1C[C@@H](NC(=O)CN2CCC(C)CC2)C12CCOCC2 ZINC000186460364 407671273 /nfs/dbraw/zinc/67/12/73/407671273.db2.gz JMFMJZRXINOJDX-CVEARBPZSA-N 0 1 324.465 1.809 10 0 DDAEMN CCOCCN1CCN(C(=O)Cc2c(C)noc2C)C[C@H]1CC ZINC000116768068 407771680 /nfs/dbraw/zinc/77/16/80/407771680.db2.gz JTTIJKANCHITFJ-OAHLLOKOSA-N 0 1 323.437 1.793 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3cnc4ccc(C)cn34)CCO2)n[nH]1 ZINC000180119781 407855544 /nfs/dbraw/zinc/85/55/44/407855544.db2.gz HVRAQJLFQYXRMU-AWEZNQCLSA-N 0 1 312.377 1.643 10 0 DDAEMN CCc1ncc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000173530076 407885793 /nfs/dbraw/zinc/88/57/93/407885793.db2.gz OWWXBORQOSHNBH-VIFPVBQESA-N 0 1 307.379 1.346 10 0 DDAEMN C[C@@H](C(=O)N1CCCCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173932941 407904620 /nfs/dbraw/zinc/90/46/20/407904620.db2.gz FFMBUKOOFCUVME-HOTGVXAUSA-N 0 1 309.454 1.184 10 0 DDAEMN C[C@@H]1C[C@@H]1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181176927 407960812 /nfs/dbraw/zinc/96/08/12/407960812.db2.gz XSTRDHGDZAIXOP-ZBFHGGJFSA-N 0 1 309.454 1.929 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000262947785 407980353 /nfs/dbraw/zinc/98/03/53/407980353.db2.gz BAXIFFDLWXVRQS-OAHLLOKOSA-N 0 1 302.378 1.079 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc3c2CCC3)C1 ZINC000262757117 407917615 /nfs/dbraw/zinc/91/76/15/407917615.db2.gz ZDIVYGUGVVYANU-UHFFFAOYSA-N 0 1 316.401 1.843 10 0 DDAEMN CNC(=O)C(C)(C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000153896111 407926862 /nfs/dbraw/zinc/92/68/62/407926862.db2.gz JQFZQEKUAIZZBE-CQSZACIVSA-N 0 1 305.422 1.048 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000119276123 408030576 /nfs/dbraw/zinc/03/05/76/408030576.db2.gz FSNRAHYVHIJXHQ-SJLPKXTDSA-N 0 1 320.433 1.065 10 0 DDAEMN Cc1ccc(N2CC[C@H](NC[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000119321158 408038671 /nfs/dbraw/zinc/03/86/71/408038671.db2.gz VRYLLVUWJCLVPZ-CVEARBPZSA-N 0 1 303.406 1.021 10 0 DDAEMN CCOC(=O)c1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)o1 ZINC000245719508 408052615 /nfs/dbraw/zinc/05/26/15/408052615.db2.gz HRKBAUJOBAEKBP-HIFRSBDPSA-N 0 1 322.405 1.609 10 0 DDAEMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)[N-]OCc1ccccc1 ZINC000245530711 408008224 /nfs/dbraw/zinc/00/82/24/408008224.db2.gz GRSMVBAZYYKRKG-ZBFHGGJFSA-N 0 1 303.406 1.403 10 0 DDAEMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263372909 408122798 /nfs/dbraw/zinc/12/27/98/408122798.db2.gz VYEVWDHRKTZTLS-YRKSKIDTSA-N 0 1 310.438 1.968 10 0 DDAEMN CCC[C@@H](CNC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)OC ZINC000263433130 408137460 /nfs/dbraw/zinc/13/74/60/408137460.db2.gz ZGAJSQULDQKWJO-BPCQOVAHSA-N 0 1 315.414 1.038 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC23CCC(CC2)CC3)C1 ZINC000263441635 408140113 /nfs/dbraw/zinc/14/01/13/408140113.db2.gz DSANOWJTRFKKQE-UHFFFAOYSA-N 0 1 323.437 1.946 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC(C3CCCC3)C2)C1 ZINC000263496841 408157363 /nfs/dbraw/zinc/15/73/63/408157363.db2.gz TZKRXIWHAVSCFE-UHFFFAOYSA-N 0 1 323.437 1.756 10 0 DDAEMN Cc1ncsc1CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263528666 408165378 /nfs/dbraw/zinc/16/53/78/408165378.db2.gz VJFRLFUMPYAQJW-UHFFFAOYSA-N 0 1 309.435 1.869 10 0 DDAEMN CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246299973 408212532 /nfs/dbraw/zinc/21/25/32/408212532.db2.gz BTAIMJOECSAXKP-ZACQAIPSSA-N 0 1 323.481 1.430 10 0 DDAEMN Cc1[nH]ncc1CCCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000121465448 408215698 /nfs/dbraw/zinc/21/56/98/408215698.db2.gz QMQXOVZOGGSVGR-LLVKDONJSA-N 0 1 304.350 1.178 10 0 DDAEMN CC[C@H]1CN(C(=O)NC[C@H](C)COC)CCN1CCOC ZINC000246714025 408322791 /nfs/dbraw/zinc/32/27/91/408322791.db2.gz HHNNOJXNDOAMAJ-KBPBESRZSA-N 0 1 301.431 1.021 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000122312009 408280193 /nfs/dbraw/zinc/28/01/93/408280193.db2.gz UKXJCNWMRYZJGO-YESZJQIVSA-N 0 1 304.434 1.827 10 0 DDAEMN CCNC(=O)NC(=O)CN(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246839976 408354177 /nfs/dbraw/zinc/35/41/77/408354177.db2.gz CKBQZSLFHSOTPJ-CHWSQXEVSA-N 0 1 311.426 1.502 10 0 DDAEMN CC(C)Cn1ccnc1CNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000173501075 162342888 /nfs/dbraw/zinc/34/28/88/162342888.db2.gz OJBCRTADKOLZNK-HNNXBMFYSA-N 0 1 319.453 1.919 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(Cl)ccn3)CCO2)n[nH]1 ZINC000173532561 162345117 /nfs/dbraw/zinc/34/51/17/162345117.db2.gz BCCQMQJEPCSXFD-NSHDSACASA-N 0 1 307.741 1.375 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)n[nH]1 ZINC000173548009 162347834 /nfs/dbraw/zinc/34/78/34/162347834.db2.gz JDEOSBCQCDRYER-GFCCVEGCSA-N 0 1 308.288 1.605 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173579982 162349619 /nfs/dbraw/zinc/34/96/19/162349619.db2.gz MPCWPOZPBQVKTK-CYBMUJFWSA-N 0 1 318.352 1.649 10 0 DDAEMN COC(=O)c1oc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1C ZINC000173683011 162358472 /nfs/dbraw/zinc/35/84/72/162358472.db2.gz VINWSTBLMYUBSV-LBPRGKRZSA-N 0 1 320.349 1.375 10 0 DDAEMN Cc1nnc([C@H]2CN(C(=O)c3ccc(O)c(Cl)c3)CCO2)[nH]1 ZINC000173755128 162362920 /nfs/dbraw/zinc/36/29/20/162362920.db2.gz APPUTLABVYYPBD-GFCCVEGCSA-N 0 1 322.752 1.686 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(C)(CO)CC1 ZINC000183620131 408455931 /nfs/dbraw/zinc/45/59/31/408455931.db2.gz FAUUDCDDPDRSEN-INIZCTEOSA-N 0 1 304.434 1.780 10 0 DDAEMN CC(C)CN(C(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000247039839 408393721 /nfs/dbraw/zinc/39/37/21/408393721.db2.gz DRSSDONISILACB-CABCVRRESA-N 0 1 311.470 1.020 10 0 DDAEMN C[C@@H]1CN([C@H](CNC(=O)CN(C)C)c2cccs2)CCO1 ZINC000247065567 408400661 /nfs/dbraw/zinc/40/06/61/408400661.db2.gz UQCWJLGUJHNGQG-CHWSQXEVSA-N 0 1 311.451 1.188 10 0 DDAEMN CCCCCNC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247110017 408409950 /nfs/dbraw/zinc/40/99/50/408409950.db2.gz IZABESOQVGLLLL-PMPSAXMXSA-N 0 1 313.486 1.458 10 0 DDAEMN COCCN1CCN(C[C@H](O)COc2ccc(C)cc2)C[C@@H]1C ZINC000247227306 408433023 /nfs/dbraw/zinc/43/30/23/408433023.db2.gz RACAEAXQIUUBFV-IRXDYDNUSA-N 0 1 322.449 1.387 10 0 DDAEMN COc1ccc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000176940948 408479974 /nfs/dbraw/zinc/47/99/74/408479974.db2.gz SQJLAFFZYHLRBA-CYBMUJFWSA-N 0 1 317.349 1.727 10 0 DDAEMN CC[C@H]1CN(C(=O)NCCc2ccccc2)CCN1C[C@H](C)O ZINC000247530141 408488927 /nfs/dbraw/zinc/48/89/27/408488927.db2.gz ODVDRHHRXMQWBS-RDJZCZTQSA-N 0 1 319.449 1.716 10 0 DDAEMN C[C@@H](NC(=O)c1cnccc1N(C)C)c1nnc2n1CCCC2 ZINC000183945626 408514804 /nfs/dbraw/zinc/51/48/04/408514804.db2.gz LTMREDBJVJDQPX-LLVKDONJSA-N 0 1 314.393 1.566 10 0 DDAEMN CCc1nc2n(n1)C[C@H](NC(=O)c1cnccc1N(C)C)CC2 ZINC000183662542 408465066 /nfs/dbraw/zinc/46/50/66/408465066.db2.gz ASAAKSSVGRRCQP-LLVKDONJSA-N 0 1 314.393 1.046 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccncc2)CCN1C[C@H](C)O ZINC000248374405 408553595 /nfs/dbraw/zinc/55/35/95/408553595.db2.gz QFLFKNYLMFJUEI-DZGCQCFKSA-N 0 1 306.410 1.068 10 0 DDAEMN CC[C@@H]1C[C@H](C(=O)N2CCN(CCOC)[C@@H](CC)C2)CCO1 ZINC000248535611 408580816 /nfs/dbraw/zinc/58/08/16/408580816.db2.gz GPVKDMKBIHQKIT-OWCLPIDISA-N 0 1 312.454 1.761 10 0 DDAEMN CC[C@@H]1CN(C(=O)NCc2ccccc2C)CCN1C[C@@H](C)O ZINC000184723771 408674782 /nfs/dbraw/zinc/67/47/82/408674782.db2.gz SGVOFPZHTHVYID-NVXWUHKLSA-N 0 1 319.449 1.982 10 0 DDAEMN CC[C@H]1CN(C(=O)NCc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000252480729 408795845 /nfs/dbraw/zinc/79/58/45/408795845.db2.gz FQCZHPNOJBERSK-BBRMVZONSA-N 0 1 323.412 1.812 10 0 DDAEMN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)C1 ZINC000163288334 408773423 /nfs/dbraw/zinc/77/34/23/408773423.db2.gz SAXGLHFCSRBOSY-JHJVBQTASA-N 0 1 304.456 1.079 10 0 DDAEMN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000188907335 163076451 /nfs/dbraw/zinc/07/64/51/163076451.db2.gz JKPPTYZQVHAWPX-SECBINFHSA-N 0 1 304.375 1.489 10 0 DDAEMN CCCCOC[C@H](O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000195143156 163309217 /nfs/dbraw/zinc/30/92/17/163309217.db2.gz XBJBPXHABICNJE-CYBMUJFWSA-N 0 1 312.376 1.734 10 0 DDAEMN CCCCOC[C@H](O)CN1CCCN(CC(F)(F)F)CC1 ZINC000195143156 163309219 /nfs/dbraw/zinc/30/92/19/163309219.db2.gz XBJBPXHABICNJE-CYBMUJFWSA-N 0 1 312.376 1.734 10 0 DDAEMN Cc1nc(C[C@@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)no1 ZINC000195518206 163327954 /nfs/dbraw/zinc/32/79/54/163327954.db2.gz AHUYIRCBIQKBQJ-AWEZNQCLSA-N 0 1 314.389 1.932 10 0 DDAEMN COC[C@@H](N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000262256178 163794992 /nfs/dbraw/zinc/79/49/92/163794992.db2.gz JBHSKLMWBUSAOY-CQSZACIVSA-N 0 1 305.378 1.015 10 0 DDAEMN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(O)c1Br ZINC000315452986 409843770 /nfs/dbraw/zinc/84/37/70/409843770.db2.gz QYUNXZFOGLREET-WPRPVWTQSA-N 0 1 313.195 1.911 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000195206900 222192856 /nfs/dbraw/zinc/19/28/56/222192856.db2.gz BCZIEKFOBNXHEI-KGLIPLIRSA-N 0 1 308.413 1.825 10 0 DDAEMN Cc1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ccc1F ZINC000628376277 422157391 /nfs/dbraw/zinc/15/73/91/422157391.db2.gz NDWHWWDHNXPESU-HZPDHXFCSA-N 0 1 305.353 1.492 10 0 DDAEMN CC1(C)C[N@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)CCS1 ZINC000643874043 423389497 /nfs/dbraw/zinc/38/94/97/423389497.db2.gz NERFZEBTCQDNNW-LLVKDONJSA-N 0 1 300.424 1.280 10 0 DDAEMN C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000309767129 271012804 /nfs/dbraw/zinc/01/28/04/271012804.db2.gz JVCFKZMSQWYSBW-BMFZPTHFSA-N 0 1 307.390 1.749 10 0 DDAEMN COCCN1CCN(Cc2cnc3nc(C)cc(C)n23)C[C@H]1C ZINC000120816364 274029750 /nfs/dbraw/zinc/02/97/50/274029750.db2.gz DTWHMBPEVAAPIK-OAHLLOKOSA-N 0 1 317.437 1.499 10 0 DDAEMN CC(C)c1nnc(NC(=O)CN2CCN3CCCC[C@H]3C2)s1 ZINC000246817713 276075709 /nfs/dbraw/zinc/07/57/09/276075709.db2.gz JRTHJCYVKKSPMU-LBPRGKRZSA-N 0 1 323.466 1.770 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000174095252 276536576 /nfs/dbraw/zinc/53/65/76/276536576.db2.gz NFGCIAZXJSZFTR-CJNGLKHVSA-N 0 1 314.376 1.387 10 0 DDAEMN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N[C@@H](C)C(=O)[O-])n1 ZINC000263403717 277841877 /nfs/dbraw/zinc/84/18/77/277841877.db2.gz JYYDJJMESPLMDI-GVXVVHGQSA-N 0 1 308.382 1.977 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000173985389 279241348 /nfs/dbraw/zinc/24/13/48/279241348.db2.gz VEYZXVYXNZRYAD-PBHICJAKSA-N 0 1 321.465 1.182 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@H](C)SC)C[C@@H]1CC ZINC000246726881 282010405 /nfs/dbraw/zinc/01/04/05/282010405.db2.gz ZDCNYTNVNFFUEQ-KBPBESRZSA-N 0 1 317.499 1.880 10 0 DDAEMN CCOC(=O)C[C@@H](Cc1cc(=O)n(C)[nH]1)c1ccc(OC)nc1 ZINC000584656671 337378056 /nfs/dbraw/zinc/37/80/56/337378056.db2.gz ADPSXIKEIKZMMJ-GFCCVEGCSA-N 0 1 319.361 1.809 10 0 DDAEMN COc1ccc(F)cc1CN1C[C@@H](OC)[C@H](c2c[nH]nn2)C1 ZINC000668576802 485222748 /nfs/dbraw/zinc/22/27/48/485222748.db2.gz ADMITAUPUXNLTA-SWLSCSKDSA-N 0 1 306.341 1.567 10 0 DDAEMN Cn1nnc(CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1 ZINC000328614738 534328622 /nfs/dbraw/zinc/32/86/22/534328622.db2.gz RGUCFVUGUNPAEA-UHFFFAOYSA-N 0 1 315.303 1.332 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)n[nH]1 ZINC000330191083 534556090 /nfs/dbraw/zinc/55/60/90/534556090.db2.gz WSPJNIQWFOFLAS-YIYPIFLZSA-N 0 1 320.393 1.218 10 0 DDAEMN Cc1nc([C@H]2CN(c3noc(-c4ccccc4)n3)CCO2)n[nH]1 ZINC000157901128 526537682 /nfs/dbraw/zinc/53/76/82/526537682.db2.gz UWYCWFSUAHVWLF-GFCCVEGCSA-N 0 1 312.333 1.741 10 0 DDAEMN CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000054127625 696273033 /nfs/dbraw/zinc/27/30/33/696273033.db2.gz RPESNWQJFWCSCB-UHFFFAOYSA-N 0 1 318.370 1.142 10 0 DDAEMN C[C@@H](OC(=O)[C@@H]1CNC(=O)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989660 696647226 /nfs/dbraw/zinc/64/72/26/696647226.db2.gz WKQQRRICHYPXBJ-SFYZADRCSA-N 0 1 307.737 1.957 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2csc(C)n2)CCN1CCOC ZINC000117306721 696670629 /nfs/dbraw/zinc/67/06/29/696670629.db2.gz PDGHXGYICQRSRV-CQSZACIVSA-N 0 1 311.451 1.563 10 0 DDAEMN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc(F)nc2)cc1 ZINC000189111924 697571412 /nfs/dbraw/zinc/57/14/12/697571412.db2.gz VUSIHQCBEJFZAM-UKRRQHHQSA-N 0 1 321.308 1.313 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)C=Cc3cccs3)CCO2)n[nH]1 ZINC000255662937 698422304 /nfs/dbraw/zinc/42/23/04/698422304.db2.gz WBABISMWEMSVNV-QMAVJUDZSA-N 0 1 304.375 1.788 10 0 DDAEMN C[C@H]1CN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000261943839 698446684 /nfs/dbraw/zinc/44/66/84/698446684.db2.gz LXFFYZZUJMKDBB-HUBLWGQQSA-N 0 1 301.390 1.674 10 0 DDAEMN COC[C@H](N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000262203502 698459322 /nfs/dbraw/zinc/45/93/22/698459322.db2.gz DIBCNYQDMFTXGK-LBPRGKRZSA-N 0 1 316.323 1.827 10 0 DDAEMN CCOC(=O)C[C@@H](NC(=O)[C@@H](N)COC)c1ccccc1C ZINC000262220408 698459894 /nfs/dbraw/zinc/45/98/94/698459894.db2.gz FRPCNLRYWGFEDW-UONOGXRCSA-N 0 1 308.378 1.079 10 0 DDAEMN CCN1CC[C@H](NC(=O)c2cc(Br)cnc2F)C1 ZINC000700887215 699224517 /nfs/dbraw/zinc/22/45/17/699224517.db2.gz MNJVHVKAWKZIRE-VIFPVBQESA-N 0 1 316.174 1.807 10 0 DDAEMN COC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)s2)CNCCO1 ZINC000710775120 699254945 /nfs/dbraw/zinc/25/49/45/699254945.db2.gz OKSIXRIMLCHMIR-RNCFNFMXSA-N 0 1 318.826 1.584 10 0 DDAEMN CN(C)[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)C[C@@H]1n1ccnn1 ZINC000862936366 705830102 /nfs/dbraw/zinc/83/01/02/705830102.db2.gz LECSECVCPBOTIZ-KGLIPLIRSA-N 0 1 314.393 1.111 10 0 DDAEMN CC(=O)N1C[C@@H](NCc2ccn(C)n2)CC[C@@H]1C(F)(F)F ZINC000886035927 708686514 /nfs/dbraw/zinc/68/65/14/708686514.db2.gz TZCYNKOAKJZETQ-NWDGAFQWSA-N 0 1 304.316 1.452 10 0 DDAEMN CC(C)(C)[C@H](O)CNC(=O)C1CCC(N2CCOCC2)CC1 ZINC000901072815 709913876 /nfs/dbraw/zinc/91/38/76/709913876.db2.gz WDCOHVBMJAKTOY-YMAMQOFZSA-N 0 1 312.454 1.401 10 0 DDAEMN C[C@H](O)[C@H](O)CN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000930277427 713791572 /nfs/dbraw/zinc/79/15/72/713791572.db2.gz XNPDDESEYWWLOD-GZZJDILISA-N 0 1 319.323 1.555 10 0 DDAEMN COCc1cc([C@@H](C)N[C@H](C)CS(C)(=O)=O)ccc1OC ZINC000081901888 192336887 /nfs/dbraw/zinc/33/68/87/192336887.db2.gz UTBASCZFGRKORN-VXGBXAGGSA-N 0 1 315.435 1.925 10 0 DDAEMN C[C@H](CS(C)(=O)=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000081902385 192336999 /nfs/dbraw/zinc/33/69/99/192336999.db2.gz SIHWGLQYWCJLRN-NXEZZACHSA-N 0 1 312.391 1.101 10 0 DDAEMN Cc1c(N)cc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl ZINC000087537948 185228168 /nfs/dbraw/zinc/22/81/68/185228168.db2.gz FLGRJHPQPUOITC-UHFFFAOYSA-N 0 1 314.798 1.475 10 0 DDAEMN Nc1ccc(Br)c(C(=O)NCCc2cnc[nH]2)c1 ZINC000087537694 185228267 /nfs/dbraw/zinc/22/82/67/185228267.db2.gz RUCQIRWYZHTPFS-UHFFFAOYSA-N 0 1 309.167 1.727 10 0 DDAEMN N[C@]1(C(=O)NCc2sccc2Br)CCOC1 ZINC000087575794 185228718 /nfs/dbraw/zinc/22/87/18/185228718.db2.gz XLQRATUEHBWEOR-SNVBAGLBSA-N 0 1 305.197 1.245 10 0 DDAEMN C[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Br)s2)CC1 ZINC000088045302 185238123 /nfs/dbraw/zinc/23/81/23/185238123.db2.gz GKZQGAXXEZJRRI-SNVBAGLBSA-N 0 1 319.224 1.884 10 0 DDAEMN CN(CCN1CCN(C)C(=O)C1(C)C)Cc1ccc(F)cc1 ZINC000181740832 539238492 /nfs/dbraw/zinc/23/84/92/539238492.db2.gz BXSZXOLFAABVIQ-UHFFFAOYSA-N 0 1 307.413 1.810 10 0 DDAEMN COC(=O)[C@H](CCN1CCC[C@H](C(F)(F)F)C1)NC1CC1 ZINC000088435069 185249918 /nfs/dbraw/zinc/24/99/18/185249918.db2.gz OXOZGWPQDJJIPI-JQWIXIFHSA-N 0 1 308.344 1.944 10 0 DDAEMN CCC1CCC(O)(CNCc2ccc(S(N)(=O)=O)o2)CC1 ZINC000088539657 185255498 /nfs/dbraw/zinc/25/54/98/185255498.db2.gz MDCLMJQEAWPXIF-UHFFFAOYSA-N 0 1 316.423 1.348 10 0 DDAEMN CC[NH+](CC)CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C=O)o1 ZINC000088541041 185255561 /nfs/dbraw/zinc/25/55/61/185255561.db2.gz DWWGVMPJJRKYPC-LBPRGKRZSA-N 0 1 316.423 1.881 10 0 DDAEMN CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC)o2)C1 ZINC000088544458 185256621 /nfs/dbraw/zinc/25/66/21/185256621.db2.gz CTXFLYKDMPLOTM-GFCCVEGCSA-N 0 1 302.396 1.189 10 0 DDAEMN O=C(c1ncc(Br)s1)N1CCN2CCC[C@@H]2C1 ZINC000192417928 539259417 /nfs/dbraw/zinc/25/94/17/539259417.db2.gz SFIHKQPDGYMWOP-MRVPVSSYSA-N 0 1 316.224 1.826 10 0 DDAEMN O=S(=O)(CCNC1CC1)c1cccc(Br)c1 ZINC000081982862 192348761 /nfs/dbraw/zinc/34/87/61/192348761.db2.gz JRBYWXNNLHOUEZ-UHFFFAOYSA-N 0 1 304.209 1.975 10 0 DDAEMN CC[C@H]1CN(c2ncnc3onc(C)c32)CC[N@H+]1CCOC ZINC000193394352 539261419 /nfs/dbraw/zinc/26/14/19/539261419.db2.gz LJGVZFCWFVEMLC-LBPRGKRZSA-N 0 1 305.382 1.473 10 0 DDAEMN CC[C@H]1CN(c2ncnc3onc(C)c32)CCN1CCOC ZINC000193394352 539261421 /nfs/dbraw/zinc/26/14/21/539261421.db2.gz LJGVZFCWFVEMLC-LBPRGKRZSA-N 0 1 305.382 1.473 10 0 DDAEMN Cc1ccc(Cl)cc1OCCN[C@H]1CCS(=O)(=O)C1 ZINC000088730752 185263520 /nfs/dbraw/zinc/26/35/20/185263520.db2.gz IGFDFBUWBHIKEQ-LBPRGKRZSA-N 0 1 303.811 1.804 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccccc1C(F)(F)F ZINC000088759675 185264322 /nfs/dbraw/zinc/26/43/22/185264322.db2.gz YQCKJXHTCJKZHE-UHFFFAOYSA-N 0 1 305.281 1.907 10 0 DDAEMN CCOc1ccc([C@@H](CS(=O)(=O)CCCOC)NC)cc1 ZINC000081986274 192349408 /nfs/dbraw/zinc/34/94/08/192349408.db2.gz ACSABXFHRYYTJJ-OAHLLOKOSA-N 0 1 315.435 1.797 10 0 DDAEMN CCN[C@H]1c2ccccc2C[C@@H]1S(=O)(=O)CC(=O)OCC ZINC000081978024 192350019 /nfs/dbraw/zinc/35/00/19/192350019.db2.gz PFNMAQRYAMYXNL-ZFWWWQNUSA-N 0 1 311.403 1.240 10 0 DDAEMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000092622048 185330036 /nfs/dbraw/zinc/33/00/36/185330036.db2.gz GQGTUAHNEAGJNO-LLVKDONJSA-N 0 1 317.842 1.637 10 0 DDAEMN CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000092625632 185330104 /nfs/dbraw/zinc/33/01/04/185330104.db2.gz RLEWZRGGTQHTBT-VIFPVBQESA-N 0 1 318.420 1.161 10 0 DDAEMN CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000092625632 185330105 /nfs/dbraw/zinc/33/01/05/185330105.db2.gz RLEWZRGGTQHTBT-VIFPVBQESA-N 0 1 318.420 1.161 10 0 DDAEMN O=C(NCCc1ccc(Cl)cc1)[C@@H]1Cc2nc[nH]c2CN1 ZINC000092781399 185340179 /nfs/dbraw/zinc/34/01/79/185340179.db2.gz SAAHCOWTAYYWCR-ZDUSSCGKSA-N 0 1 304.781 1.436 10 0 DDAEMN O=C([C@@H]1Cc2nc[nH]c2CN1)N1CCC[C@@H]1c1ccsc1 ZINC000092780543 185340221 /nfs/dbraw/zinc/34/02/21/185340221.db2.gz LVVMMUQIBMWAHY-GXTWGEPZSA-N 0 1 302.403 1.849 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000255849648 282281927 /nfs/dbraw/zinc/28/19/27/282281927.db2.gz XCOZUNCSJKYBMW-KXQLTZBTSA-N 0 1 323.824 1.663 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@H]1CNCCN1C(=O)OC(C)(C)C ZINC000616635832 362765136 /nfs/dbraw/zinc/76/51/36/362765136.db2.gz UDWUYJBUZCUNSZ-LLVKDONJSA-N 0 1 315.414 1.720 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1c[nH]nn1 ZINC000616656548 362770291 /nfs/dbraw/zinc/77/02/91/362770291.db2.gz DQBJJVKFBUJRPM-GFCCVEGCSA-N 0 1 311.386 1.093 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1c1cnc[nH]1 ZINC000616657818 362772095 /nfs/dbraw/zinc/77/20/95/362772095.db2.gz QCWMZQPGIDPKRC-CYBMUJFWSA-N 0 1 310.398 1.698 10 0 DDAEMN CN1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)CCC1=O ZINC000084063015 192398521 /nfs/dbraw/zinc/39/85/21/192398521.db2.gz PPLXLYLKIRIURE-WCQYABFASA-N 0 1 308.403 1.116 10 0 DDAEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@H](OCCO)C1 ZINC000172293228 198072309 /nfs/dbraw/zinc/07/23/09/198072309.db2.gz AWUGOKPXLMARFM-UXLLHSPISA-N 0 1 320.433 1.726 10 0 DDAEMN Cn1ccc(C(=O)N2CCCC[C@H]2c2cc(CCO)[nH]n2)n1 ZINC000072385785 191144040 /nfs/dbraw/zinc/14/40/40/191144040.db2.gz KWCQGIKYNJQISD-AWEZNQCLSA-N 0 1 303.366 1.045 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(C)s3)CCO2)n[nH]1 ZINC000173560710 198226845 /nfs/dbraw/zinc/22/68/45/198226845.db2.gz HGKMLJJGRLZZCK-SNVBAGLBSA-N 0 1 306.391 1.951 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3cc(Cl)cn3C)CCO2)n[nH]1 ZINC000173566818 198228394 /nfs/dbraw/zinc/22/83/94/198228394.db2.gz ZRTWDLNWKBVQND-NSHDSACASA-N 0 1 323.784 1.573 10 0 DDAEMN O=C([O-])[C@@H]1CSCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000250658935 354381223 /nfs/dbraw/zinc/38/12/23/354381223.db2.gz XTVIJDDIJCTYTK-KBPBESRZSA-N 0 1 311.403 1.066 10 0 DDAEMN Cn1ccnc1[C@@H]1CN(C(=O)c2ccn3cncc3c2)CCN1C ZINC000328618004 354547772 /nfs/dbraw/zinc/54/77/72/354547772.db2.gz DGRCGYNRGRSKLJ-HNNXBMFYSA-N 0 1 324.388 1.197 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@@H](c2ccccc2OC(F)(F)F)NC1 ZINC000080106155 192001651 /nfs/dbraw/zinc/00/16/51/192001651.db2.gz BROZAFODWDYUAU-WPRPVWTQSA-N 0 1 324.324 1.667 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2c[nH]c(C)n2)n1 ZINC000080868951 192196393 /nfs/dbraw/zinc/19/63/93/192196393.db2.gz KEWFXMCMNGVCAE-SSDOTTSWSA-N 0 1 315.424 1.646 10 0 DDAEMN CC[NH2+][C@H](C)c1csc([N-]S(=O)(=O)c2cn[nH]c2)n1 ZINC000080869163 192197460 /nfs/dbraw/zinc/19/74/60/192197460.db2.gz XNQSXOVIRIEFAQ-SSDOTTSWSA-N 0 1 301.397 1.338 10 0 DDAEMN N[C@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000085912589 192539671 /nfs/dbraw/zinc/53/96/71/192539671.db2.gz FTFIGCQAHGHZJT-GFCCVEGCSA-N 0 1 304.268 1.319 10 0 DDAEMN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123386 199119857 /nfs/dbraw/zinc/11/98/57/199119857.db2.gz FHTQXOFUEPDQGI-HNNXBMFYSA-N 0 1 315.421 1.886 10 0 DDAEMN CSc1ncc(C(=O)N2CCNCC2)n1-c1ccccc1 ZINC000237371261 202246471 /nfs/dbraw/zinc/24/64/71/202246471.db2.gz IPFHQWNNHKUFHU-UHFFFAOYSA-N 0 1 302.403 1.640 10 0 DDAEMN C[C@H](NCc1ccnc(N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000193476003 201059574 /nfs/dbraw/zinc/05/95/74/201059574.db2.gz MQXSDZXTDIBMJQ-NSHDSACASA-N 0 1 305.403 1.918 10 0 DDAEMN CC(C)(C(N)=S)N1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971363 193133672 /nfs/dbraw/zinc/13/36/72/193133672.db2.gz RSLNHAFLULBYQS-UHFFFAOYSA-N 0 1 312.483 1.665 10 0 DDAEMN CC[C@H](C)CN(CC)S(=O)(=O)c1c(C)n[nH]c1CNC ZINC000093265780 193223184 /nfs/dbraw/zinc/22/31/84/193223184.db2.gz JXMXJASBVKRSIZ-JTQLQIEISA-N 0 1 302.444 1.494 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093853094 193318214 /nfs/dbraw/zinc/31/82/14/193318214.db2.gz KPFTWKYWSUJFMG-TVQRCGJNSA-N 0 1 314.411 1.058 10 0 DDAEMN CCOC(=O)[C@@]1(N)CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000093853096 193318846 /nfs/dbraw/zinc/31/88/46/193318846.db2.gz KPFTWKYWSUJFMG-NOZJJQNGSA-N 0 1 314.411 1.058 10 0 DDAEMN CCn1nc(C)c(Cl)c1C[C@@H](O)[C@H]1CN(C)CCN1C ZINC000093893741 193324080 /nfs/dbraw/zinc/32/40/80/193324080.db2.gz XGUZPCHGYOFFPE-CHWSQXEVSA-N 0 1 300.834 1.014 10 0 DDAEMN [NH3+]Cc1cccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)c1 ZINC000040739069 183127185 /nfs/dbraw/zinc/12/71/85/183127185.db2.gz SGNXXRYGZAPEQL-UHFFFAOYSA-N 0 1 306.387 1.481 10 0 DDAEMN O=C([O-])C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000042162516 183237356 /nfs/dbraw/zinc/23/73/56/183237356.db2.gz XFNDELUMTMBMJW-LBPRGKRZSA-N 0 1 310.781 1.895 10 0 DDAEMN NCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1 ZINC000042782452 183308915 /nfs/dbraw/zinc/30/89/15/183308915.db2.gz CHQQBJKTGWXPJD-UHFFFAOYSA-N 0 1 314.354 1.922 10 0 DDAEMN O=C([C@H]1CNCCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000043709855 183382544 /nfs/dbraw/zinc/38/25/44/183382544.db2.gz ZHJIFAFMUGYHHA-GFCCVEGCSA-N 0 1 302.296 1.566 10 0 DDAEMN CCCCNC(=O)[C@@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803497 194132564 /nfs/dbraw/zinc/13/25/64/194132564.db2.gz NWGOBJOTRBYFOR-HUUCEWRRSA-N 0 1 319.453 1.682 10 0 DDAEMN C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H](N(C)C)C3)ccc2O1 ZINC000106229640 194190765 /nfs/dbraw/zinc/19/07/65/194190765.db2.gz XGRDPUFAFKKECQ-AAEUAGOBSA-N 0 1 310.419 1.335 10 0 DDAEMN Cc1cc(N)cc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000049554569 183740822 /nfs/dbraw/zinc/74/08/22/183740822.db2.gz QAQAZKFVEFMIHP-AWEZNQCLSA-N 0 1 313.467 1.832 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000109461305 194265411 /nfs/dbraw/zinc/26/54/11/194265411.db2.gz NSYGXWIAAXMNLA-ZDUSSCGKSA-N 0 1 307.419 1.215 10 0 DDAEMN C[C@@H]1CN(c2ncc(Br)cc2CO)CCN1C ZINC000110733148 194354508 /nfs/dbraw/zinc/35/45/08/194354508.db2.gz PNGRAGWVJTWESR-SECBINFHSA-N 0 1 300.200 1.477 10 0 DDAEMN CN1CCN(C(=O)[C@@H](C(N)=S)c2ccccc2)CC1(C)C ZINC000110753332 194356210 /nfs/dbraw/zinc/35/62/10/194356210.db2.gz CIDNZVHLBLNWBF-CYBMUJFWSA-N 0 1 305.447 1.609 10 0 DDAEMN Cc1nc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)sc1C(=O)[O-] ZINC000110790125 194358220 /nfs/dbraw/zinc/35/82/20/194358220.db2.gz KPGRURQTIDOOLM-VIFPVBQESA-N 0 1 312.395 1.043 10 0 DDAEMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1N ZINC000061642636 184180643 /nfs/dbraw/zinc/18/06/43/184180643.db2.gz DSRWVNDOMNJFBN-LLVKDONJSA-N 0 1 301.387 1.123 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2Cl)C1 ZINC000062965219 184262929 /nfs/dbraw/zinc/26/29/29/184262929.db2.gz GIZAPOIHNKRYRW-SNVBAGLBSA-N 0 1 303.815 1.247 10 0 DDAEMN Cn1ccn2ncc(C(=O)NCCN3CCc4ccccc4C3)c12 ZINC000065396560 184335502 /nfs/dbraw/zinc/33/55/02/184335502.db2.gz ZJSNVKKQDOFBCV-UHFFFAOYSA-N 0 1 323.400 1.461 10 0 DDAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2C)C1 ZINC000066218330 184397211 /nfs/dbraw/zinc/39/72/11/184397211.db2.gz XDXLKPXDPHOFPI-CYBMUJFWSA-N 0 1 319.405 1.543 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cccn2C(C)C)CCN1C[C@@H](C)O ZINC000119665822 195013763 /nfs/dbraw/zinc/01/37/63/195013763.db2.gz FINJUZFQSVXZLM-CABCVRRESA-N 0 1 307.438 1.986 10 0 DDAEMN CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120669021 195211702 /nfs/dbraw/zinc/21/17/02/195211702.db2.gz RAQODWJNCDKXOQ-OAGGEKHMSA-N 0 1 314.470 1.741 10 0 DDAEMN CC(C)C[C@H](C)OCCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120669021 195211705 /nfs/dbraw/zinc/21/17/05/195211705.db2.gz RAQODWJNCDKXOQ-OAGGEKHMSA-N 0 1 314.470 1.741 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2ccoc2)C1)N1CCCCO1 ZINC000247803449 257117396 /nfs/dbraw/zinc/11/73/96/257117396.db2.gz XFVRKDLQJYGKCI-PMPSAXMXSA-N 0 1 320.389 1.813 10 0 DDAEMN O=C([C@@H]1CO[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCCCO1 ZINC000247759119 257118677 /nfs/dbraw/zinc/11/86/77/257118677.db2.gz GFFMDPYHVZEUCH-XHSDSOJGSA-N 0 1 317.389 1.082 10 0 DDAEMN C[C@H]1C[C@H]1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000075978202 406948621 /nfs/dbraw/zinc/94/86/21/406948621.db2.gz ZXPHKKYPHVYBGA-DOTOQJQBSA-N 0 1 316.449 1.512 10 0 DDAEMN C[C@@H](NCc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)s1 ZINC000036991972 406985404 /nfs/dbraw/zinc/98/54/04/406985404.db2.gz ZMDCHYXHBPTSRI-MRVPVSSYSA-N 0 1 313.810 1.650 10 0 DDAEMN CN(CC(=O)N1CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802920 407355689 /nfs/dbraw/zinc/35/56/89/407355689.db2.gz JCTGITOSWNMPKZ-OAHLLOKOSA-N 0 1 317.437 1.390 10 0 DDAEMN COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H](C)O2)N(C)C)c1 ZINC000124581668 407362758 /nfs/dbraw/zinc/36/27/58/407362758.db2.gz WPNGDFOLUSAUIV-RCBQFDQVSA-N 0 1 306.406 1.982 10 0 DDAEMN COC(=O)[C@H](C)CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106907168 407366597 /nfs/dbraw/zinc/36/65/97/407366597.db2.gz FUPRJJYGHOFZMP-UKRRQHHQSA-N 0 1 306.406 1.427 10 0 DDAEMN COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000106913454 407366738 /nfs/dbraw/zinc/36/67/38/407366738.db2.gz HOEPMGQJRAGRLY-MRXNPFEDSA-N 0 1 313.401 1.879 10 0 DDAEMN O=c1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)nc2cc[n-]n21 ZINC000108858366 407391974 /nfs/dbraw/zinc/39/19/74/407391974.db2.gz SQEDUTGOAIYWCF-CYBMUJFWSA-N 0 1 324.388 1.352 10 0 DDAEMN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCC(C)CC1 ZINC000127866358 407472780 /nfs/dbraw/zinc/47/27/80/407472780.db2.gz FLKXCTHHQONCNI-ZDUSSCGKSA-N 0 1 321.425 1.108 10 0 DDAEMN C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000261670927 407574031 /nfs/dbraw/zinc/57/40/31/407574031.db2.gz BXAIUFSEZUBQNS-LBPRGKRZSA-N 0 1 323.462 1.119 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3ncc(C)s3)CCO2)n[nH]1 ZINC000130023348 407647151 /nfs/dbraw/zinc/64/71/51/407647151.db2.gz QOGCOIZTUWXXRX-SECBINFHSA-N 0 1 322.394 1.737 10 0 DDAEMN CC(C)[C@H](O)CC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186650611 407730189 /nfs/dbraw/zinc/73/01/89/407730189.db2.gz ZZAKCRBUDAIHRN-CYBMUJFWSA-N 0 1 318.377 1.407 10 0 DDAEMN Cc1ccc(N(C)C2CCN(Cc3cnc(N)s3)CC2)nn1 ZINC000261902689 407662366 /nfs/dbraw/zinc/66/23/66/407662366.db2.gz WGZBSEKLVDONIY-UHFFFAOYSA-N 0 1 318.450 1.925 10 0 DDAEMN COC[C@H](N)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000262168714 407756873 /nfs/dbraw/zinc/75/68/73/407756873.db2.gz ANYKVZDFMVTMHV-YGRLFVJLSA-N 0 1 310.369 1.765 10 0 DDAEMN COC[C@H](N)C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000262196021 407763157 /nfs/dbraw/zinc/76/31/57/407763157.db2.gz CSHVEJKJNBPYBI-NSHDSACASA-N 0 1 306.391 1.734 10 0 DDAEMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H](N)COC ZINC000262328197 407801618 /nfs/dbraw/zinc/80/16/18/407801618.db2.gz RIJYEFMKFAKJBG-OAHLLOKOSA-N 0 1 320.437 1.120 10 0 DDAEMN CCC[C@H](C(=O)Nc1cccc(OCC(=O)OC)c1)N(C)C ZINC000179635123 407817029 /nfs/dbraw/zinc/81/70/29/407817029.db2.gz BAWTVJGZEWJYOB-CQSZACIVSA-N 0 1 308.378 1.907 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCN1CCOC ZINC000117301235 407828376 /nfs/dbraw/zinc/82/83/76/407828376.db2.gz XQUBZIYXURNRGL-GDBMZVCRSA-N 0 1 318.417 1.732 10 0 DDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)CCOC)CCN1CCOC ZINC000117489001 407839905 /nfs/dbraw/zinc/83/99/05/407839905.db2.gz OLEXNFBUYNRMQM-UONOGXRCSA-N 0 1 301.431 1.164 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2nc(CC(C)C)no2)CC1 ZINC000262729389 407910333 /nfs/dbraw/zinc/91/03/33/407910333.db2.gz APEDRYPDJOAMLX-UHFFFAOYSA-N 0 1 324.425 1.639 10 0 DDAEMN Cc1cccc(NC(=O)CN2CCC([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000262878837 407960839 /nfs/dbraw/zinc/96/08/39/407960839.db2.gz FEHIXRQOKDNVAW-UHFFFAOYSA-N 0 1 319.405 1.414 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](C)OCCC(C)C)CCN1C[C@@H](C)O ZINC000174601394 407966776 /nfs/dbraw/zinc/96/67/76/407966776.db2.gz APMPQAIUQAKNPL-BZUAXINKSA-N 0 1 314.470 1.741 10 0 DDAEMN CCCCc1noc([C@H](C)N2CCN(C[C@@H](O)CC)CC2)n1 ZINC000174083762 407915040 /nfs/dbraw/zinc/91/50/40/407915040.db2.gz LKVBFOQOYSOKQR-KBPBESRZSA-N 0 1 310.442 1.862 10 0 DDAEMN CCN1CCO[C@H](CNCc2ccc(Br)cn2)C1 ZINC000134619250 407918064 /nfs/dbraw/zinc/91/80/64/407918064.db2.gz HQJHXILONAXEEC-CYBMUJFWSA-N 0 1 314.227 1.654 10 0 DDAEMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000174215832 407922064 /nfs/dbraw/zinc/92/20/64/407922064.db2.gz GVJVFMIRKZPBFS-UWVGGRQHSA-N 0 1 309.370 1.228 10 0 DDAEMN CN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000174390498 407942494 /nfs/dbraw/zinc/94/24/94/407942494.db2.gz GIQDLBRNIPBURV-YHWZYXNKSA-N 0 1 311.426 1.595 10 0 DDAEMN Cc1nc([C@@H]2CN(CCCC(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC000181923231 408053923 /nfs/dbraw/zinc/05/39/23/408053923.db2.gz WDYNKXILLJBSRJ-LBPRGKRZSA-N 0 1 310.398 1.608 10 0 DDAEMN Cc1ccc(N2CCCN(CCOCC(F)F)CC2)nn1 ZINC000189134413 407998835 /nfs/dbraw/zinc/99/88/35/407998835.db2.gz NRIKUXVLJIKKQK-UHFFFAOYSA-N 0 1 300.353 1.579 10 0 DDAEMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135309891 408002116 /nfs/dbraw/zinc/00/21/16/408002116.db2.gz TXNLYKIOGFLOPW-HUUCEWRRSA-N 0 1 317.437 1.436 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000263236806 408070615 /nfs/dbraw/zinc/07/06/15/408070615.db2.gz JVEQWUPFIJAABU-GFCCVEGCSA-N 0 1 309.366 1.785 10 0 DDAEMN CCn1cnnc1C1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175207939 408076341 /nfs/dbraw/zinc/07/63/41/408076341.db2.gz KXKJHPCZEHRSPP-CYBMUJFWSA-N 0 1 307.442 1.733 10 0 DDAEMN CCOCCN1CCN(c2cc(NCC3CC3)ncn2)C[C@@H]1C ZINC000119535106 408088982 /nfs/dbraw/zinc/08/89/82/408088982.db2.gz CYHLINUWABWNDW-AWEZNQCLSA-N 0 1 319.453 1.846 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccccn3)C2=O)n(C)n1 ZINC000182339447 408131612 /nfs/dbraw/zinc/13/16/12/408131612.db2.gz WABHQOXAZJNSHR-UKRRQHHQSA-N 0 1 313.405 1.970 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000263426343 408136089 /nfs/dbraw/zinc/13/60/89/408136089.db2.gz MGBOEBHGWVKILS-UJFKTDLFSA-N 0 1 312.410 1.101 10 0 DDAEMN CCOCC1(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263439520 408140485 /nfs/dbraw/zinc/14/04/85/408140485.db2.gz PKXAJAIYORMNRT-UHFFFAOYSA-N 0 1 324.421 1.247 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cc(C(=O)OC)co2)C1 ZINC000263514445 408162109 /nfs/dbraw/zinc/16/21/09/408162109.db2.gz OHVZCLWQBUOMJO-UHFFFAOYSA-N 0 1 310.350 1.093 10 0 DDAEMN CCOCCN1CCN(Cc2ncnn2CC(C)C)C[C@@H]1CC ZINC000182752066 408240284 /nfs/dbraw/zinc/24/02/84/408240284.db2.gz YKGBQLYYVDISPF-INIZCTEOSA-N 0 1 323.485 1.867 10 0 DDAEMN CCc1nc([C@@H]2CN(c3ncnc4ccccc43)CCO2)n[nH]1 ZINC000268821708 408207036 /nfs/dbraw/zinc/20/70/36/408207036.db2.gz PNYZNCIPDYXAIL-ZDUSSCGKSA-N 0 1 310.361 1.888 10 0 DDAEMN O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246482692 408270696 /nfs/dbraw/zinc/27/06/96/408270696.db2.gz DHGZRKCFQWWQCE-IAGOWNOFSA-N 0 1 300.406 1.821 10 0 DDAEMN COC(=O)CCNC(=O)CN[C@H](C)c1ccc(Cl)s1 ZINC000182980071 408297508 /nfs/dbraw/zinc/29/75/08/408297508.db2.gz RWHZEGAUBASJDN-MRVPVSSYSA-N 0 1 304.799 1.731 10 0 DDAEMN C[C@H](C(=O)NCc1ccccc1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246795434 408342135 /nfs/dbraw/zinc/34/21/35/408342135.db2.gz ARXIZTXHQAKENW-GDBMZVCRSA-N 0 1 312.417 1.914 10 0 DDAEMN COCCC1(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CCC1 ZINC000133115756 162052499 /nfs/dbraw/zinc/05/24/99/162052499.db2.gz CNDXPXQPDHIBJG-GFCCVEGCSA-N 0 1 308.382 1.220 10 0 DDAEMN C[C@H](C1CC1)N(C(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C1CC1 ZINC000246875644 408359606 /nfs/dbraw/zinc/35/96/06/408359606.db2.gz FRNBKGUDTSKPNU-UKRRQHHQSA-N 0 1 316.449 1.999 10 0 DDAEMN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000246845576 408353853 /nfs/dbraw/zinc/35/38/53/408353853.db2.gz HSMYZCRRQWJNEB-VWYCJHECSA-N 0 1 316.448 1.091 10 0 DDAEMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(c2nncn2CC)CC1 ZINC000171644355 162232744 /nfs/dbraw/zinc/23/27/44/162232744.db2.gz DIZZJEJQRKQPGH-QWHCGFSZSA-N 0 1 307.442 1.781 10 0 DDAEMN CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173600226 162350474 /nfs/dbraw/zinc/35/04/74/162350474.db2.gz HTDGAQWSDWPNFX-CQSZACIVSA-N 0 1 314.345 1.529 10 0 DDAEMN CC(=O)Nc1nc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cs1 ZINC000173656245 162353003 /nfs/dbraw/zinc/35/30/03/162353003.db2.gz AVSNQZBSSPPCMX-LLVKDONJSA-N 0 1 322.394 1.102 10 0 DDAEMN Cc1nc([C@H]2CN(CCCOc3ccccc3)CCO2)n[nH]1 ZINC000173666031 162355552 /nfs/dbraw/zinc/35/55/52/162355552.db2.gz NIVDUWIBGLYUPF-OAHLLOKOSA-N 0 1 302.378 1.956 10 0 DDAEMN Cc1nc([C@H]2CN([C@H](C)C(=O)Nc3ccccc3)CCO2)n[nH]1 ZINC000247242635 408435423 /nfs/dbraw/zinc/43/54/23/408435423.db2.gz XZUXDJWJCUCOCK-BXUZGUMPSA-N 0 1 315.377 1.514 10 0 DDAEMN Cc1noc([C@H]2COCCN2C(=O)c2[nH]nc3ccccc32)n1 ZINC000183759340 408483761 /nfs/dbraw/zinc/48/37/61/408483761.db2.gz FLPGGASMSKFTJC-GFCCVEGCSA-N 0 1 313.317 1.468 10 0 DDAEMN CCCn1cc(CN2CCCN(Cc3cncn3C)CC2)cn1 ZINC000177056732 408509055 /nfs/dbraw/zinc/50/90/55/408509055.db2.gz IBLZHZYYLKKWQE-UHFFFAOYSA-N 0 1 316.453 1.735 10 0 DDAEMN Cn1ccc(N2CCC[C@@H](N3CCN4CCCC[C@H]4C3)C2=O)n1 ZINC000248330958 408547732 /nfs/dbraw/zinc/54/77/32/408547732.db2.gz DTSRCZVPNRTFKK-LSDHHAIUSA-N 0 1 317.437 1.086 10 0 DDAEMN CC[N@H+]1CCC[C@@H]1CN(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000177164110 408539267 /nfs/dbraw/zinc/53/92/67/408539267.db2.gz FAYXKJNECRBAFY-OAHLLOKOSA-N 0 1 315.421 1.889 10 0 DDAEMN CCN(C)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000248813101 408637194 /nfs/dbraw/zinc/63/71/94/408637194.db2.gz CYUJNSYKMOQKEC-MRXNPFEDSA-N 0 1 304.438 1.444 10 0 DDAEMN O=S(=O)(NCC1CCOCC1)c1c(F)cc(F)cc1F ZINC000195011387 408808791 /nfs/dbraw/zinc/80/87/91/408808791.db2.gz IWKRLPPOIMGGJB-UHFFFAOYSA-N 0 1 309.309 1.809 10 0 DDAEMN CC[C@@H](COC)NC(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000163215241 408769150 /nfs/dbraw/zinc/76/91/50/408769150.db2.gz CPCOVAXDOOHGTK-KBPBESRZSA-N 0 1 301.431 1.164 10 0 DDAEMN CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185157096 408771286 /nfs/dbraw/zinc/77/12/86/408771286.db2.gz ALHOGBOQUAFYSI-HZPDHXFCSA-N 0 1 320.433 1.241 10 0 DDAEMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185157096 408771291 /nfs/dbraw/zinc/77/12/91/408771291.db2.gz ALHOGBOQUAFYSI-HZPDHXFCSA-N 0 1 320.433 1.241 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000250071588 408773812 /nfs/dbraw/zinc/77/38/12/408773812.db2.gz NYPPOJDCSCFDGS-GVDBMIGSSA-N 0 1 304.434 1.827 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000192000611 163211563 /nfs/dbraw/zinc/21/15/63/163211563.db2.gz ISFVIOYCHUKKIH-MGPQQGTHSA-N 0 1 300.443 1.494 10 0 DDAEMN Cc1ccccc1C(=O)NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195319241 163315873 /nfs/dbraw/zinc/31/58/73/163315873.db2.gz SJQSDALZWKGREQ-HNNXBMFYSA-N 0 1 315.417 1.422 10 0 DDAEMN O=S(=O)(c1cnc(Cl)c(F)c1)N1CCN2CCC[C@@H]2C1 ZINC000279382402 409203897 /nfs/dbraw/zinc/20/38/97/409203897.db2.gz XZABHEZKAVNEGS-SECBINFHSA-N 0 1 319.789 1.343 10 0 DDAEMN CC[C@@H]1CN([C@H](C)C(=O)N2CCCCC2)CCN1C[C@@H](C)O ZINC000247154585 287209889 /nfs/dbraw/zinc/20/98/89/287209889.db2.gz LVGGLCPOQSUECK-BZUAXINKSA-N 0 1 311.470 1.164 10 0 DDAEMN CN(C)C[C@H](NC(=O)C(=O)c1cnn(C)c1)c1ccccc1 ZINC000195157357 418553271 /nfs/dbraw/zinc/55/32/71/418553271.db2.gz IVOGFZZXXSXBCE-AWEZNQCLSA-N 0 1 300.362 1.022 10 0 DDAEMN Cn1nncc1CN1CCC[C@H](Nc2ccc(N)nc2)CC1 ZINC000328629007 418606387 /nfs/dbraw/zinc/60/63/87/418606387.db2.gz HTFVXAFPLUUWGC-LBPRGKRZSA-N 0 1 301.398 1.259 10 0 DDAEMN Cc1cc(F)ccc1C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O ZINC000527561038 421414602 /nfs/dbraw/zinc/41/46/02/421414602.db2.gz VTGIMZYAFANPDX-SUNKGSAMSA-N 0 1 318.352 1.537 10 0 DDAEMN N[C@@]1(C(=O)N2CCCCC2)C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000584647728 422300617 /nfs/dbraw/zinc/30/06/17/422300617.db2.gz KYKXXXXZFPYKKL-KOMQPUFPSA-N 0 1 322.430 1.333 10 0 DDAEMN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](O)COC(C)(C)C)[C@H]2C1 ZINC000158465405 277295729 /nfs/dbraw/zinc/29/57/29/277295729.db2.gz PXHGSMBDBUSTBW-KBXIAJHMSA-N 0 1 301.427 1.431 10 0 DDAEMN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000089108061 279649798 /nfs/dbraw/zinc/64/97/98/279649798.db2.gz WGIZZCWJTUKBME-SCZZXKLOSA-N 0 1 322.352 1.900 10 0 DDAEMN Cc1cc(C)cc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000105933117 281051561 /nfs/dbraw/zinc/05/15/61/281051561.db2.gz PWZCWYUWDASMEG-GOEBONIOSA-N 0 1 305.422 1.551 10 0 DDAEMN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN2CCCC[C@@H]2C1 ZINC000247156440 282036592 /nfs/dbraw/zinc/03/65/92/282036592.db2.gz XNDAUINTJCTVPQ-QKPAOTATSA-N 0 1 319.449 1.824 10 0 DDAEMN COC[C@H](N)C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000262192487 293115694 /nfs/dbraw/zinc/11/56/94/293115694.db2.gz CJFRYJUMAOIBPG-IRXDYDNUSA-N 0 1 320.433 1.519 10 0 DDAEMN Cc1cc(C(F)(F)F)nc(N2CCOC[C@@H]2c2nnc[nH]2)n1 ZINC000376431290 302078924 /nfs/dbraw/zinc/07/89/24/302078924.db2.gz ZJKLNOIRPIRSID-MRVPVSSYSA-N 0 1 314.271 1.500 10 0 DDAEMN Clc1cnc(NC[C@H]2COCCN2)c(Br)c1 ZINC000236057086 484178555 /nfs/dbraw/zinc/17/85/55/484178555.db2.gz UDWMDYSLAGTLGE-QMMMGPOBSA-N 0 1 306.591 1.898 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(F)c(Br)c1F ZINC000662921110 484544798 /nfs/dbraw/zinc/54/47/98/484544798.db2.gz JUYOSACZIWSQDV-ZCFIWIBFSA-N 0 1 309.110 1.640 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000381809524 490777533 /nfs/dbraw/zinc/77/75/33/490777533.db2.gz CKFPIORPMMCZSZ-BMFZPTHFSA-N 0 1 307.390 1.607 10 0 DDAEMN NC(=O)[C@@H](O)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000299749254 534417705 /nfs/dbraw/zinc/41/77/05/534417705.db2.gz JRPSEBFOUSKAQA-AWEZNQCLSA-N 0 1 312.797 1.277 10 0 DDAEMN CCOC(=O)c1cnn(CN2CCN(CCOC)[C@@H](CC)C2)c1 ZINC000133175681 696823372 /nfs/dbraw/zinc/82/33/72/696823372.db2.gz ADEQRNIUAOSUJF-HNNXBMFYSA-N 0 1 324.425 1.060 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCN1C[C@H](C)O ZINC000245425896 697823841 /nfs/dbraw/zinc/82/38/41/697823841.db2.gz KWVAHLRQENCLIL-IMJJTQAJSA-N 0 1 306.406 1.024 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245690950 698337237 /nfs/dbraw/zinc/33/72/37/698337237.db2.gz BKYKMSMEWURCKC-RYUDHWBXSA-N 0 1 314.861 1.523 10 0 DDAEMN Cc1cc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)on1 ZINC000262755474 698479453 /nfs/dbraw/zinc/47/94/53/698479453.db2.gz YSNUIWSJOIJIQJ-UHFFFAOYSA-N 0 1 307.350 1.040 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCC2CCCC2)C1 ZINC000263043076 698488686 /nfs/dbraw/zinc/48/86/86/698488686.db2.gz QKZLNYDZMDFBJX-UHFFFAOYSA-N 0 1 311.426 1.803 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC000263366744 698502604 /nfs/dbraw/zinc/50/26/04/698502604.db2.gz LQENHBGAHUAVCX-CULRUXPZSA-N 0 1 311.426 1.658 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000263415871 698505826 /nfs/dbraw/zinc/50/58/26/698505826.db2.gz JXSYMINXFBSCLC-UHFFFAOYSA-N 0 1 317.389 1.626 10 0 DDAEMN O=C(c1ccc2[nH]nnc2c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899071741 708974690 /nfs/dbraw/zinc/97/46/90/708974690.db2.gz HZJOIBNIENQQJV-LBPRGKRZSA-N 0 1 323.360 1.514 10 0 DDAEMN CC[C@H]1CN(c2nc(Cl)nc3nc[nH]c32)CCN1CCOC ZINC000892353628 710421876 /nfs/dbraw/zinc/42/18/76/710421876.db2.gz CMMIRLKFUDCVTA-JTQLQIEISA-N 0 1 324.816 1.553 10 0 DDAEMN CC[C@@H](C)S(=O)(=O)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000081938582 192342143 /nfs/dbraw/zinc/34/21/43/192342143.db2.gz JJUGZVRIXSXRPV-YPMHNXCESA-N 0 1 313.419 1.932 10 0 DDAEMN C[N@@H+](CC(=O)NCC(F)(F)F)C1(CC(=O)[O-])CCCCC1 ZINC000087572230 185228342 /nfs/dbraw/zinc/22/83/42/185228342.db2.gz ARRSQCQPTVBPRY-UHFFFAOYSA-N 0 1 310.316 1.774 10 0 DDAEMN COC(=O)CCS(=O)(=O)C[C@H](N)c1c(C)cc(C)cc1C ZINC000081974397 192347545 /nfs/dbraw/zinc/34/75/45/192347545.db2.gz NROSKXURRAVYPL-ZDUSSCGKSA-N 0 1 313.419 1.590 10 0 DDAEMN CCOC(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000081977457 192347805 /nfs/dbraw/zinc/34/78/05/192347805.db2.gz ANJWSWQWFMLCRH-HIFRSBDPSA-N 0 1 311.403 1.369 10 0 DDAEMN COC1(CNC(=O)[C@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000154781221 539207069 /nfs/dbraw/zinc/20/70/69/539207069.db2.gz CBLJGHVPTXGKIK-INIZCTEOSA-N 0 1 320.433 1.471 10 0 DDAEMN Cc1cnc([C@H](NC[C@@H](O)CN2CCCC2=O)C2CC2)s1 ZINC000185344428 539245943 /nfs/dbraw/zinc/24/59/43/539245943.db2.gz KIXKYIGBUBEBKN-TZMCWYRMSA-N 0 1 309.435 1.476 10 0 DDAEMN COc1ccc(NC(=O)[C@]2(N)CCOC2)cc1Br ZINC000088321536 185245668 /nfs/dbraw/zinc/24/56/68/185245668.db2.gz DEXUADOWBOIMFB-LBPRGKRZSA-N 0 1 315.167 1.514 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000088543482 185256903 /nfs/dbraw/zinc/25/69/03/185256903.db2.gz DHBCKRKJPNDCBX-VXGBXAGGSA-N 0 1 316.423 1.576 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1cncc(Br)c1 ZINC000088752514 185263965 /nfs/dbraw/zinc/26/39/65/185263965.db2.gz UTXWQCCCPUZKOV-UHFFFAOYSA-N 0 1 317.168 1.046 10 0 DDAEMN O=S1(=O)C=C[C@H](NC2CCN(Cc3ccccc3)CC2)C1 ZINC000088853825 185267166 /nfs/dbraw/zinc/26/71/66/185267166.db2.gz FMUGGHNBIRLOGF-INIZCTEOSA-N 0 1 306.431 1.551 10 0 DDAEMN O=C([O-])c1cc2c([nH+]c1N[C@H]1C=CS(=O)(=O)C1)CCCC2 ZINC000088859773 185267460 /nfs/dbraw/zinc/26/74/60/185267460.db2.gz INLSHVJEOVIGMN-JTQLQIEISA-N 0 1 308.359 1.381 10 0 DDAEMN CCCN(CCN(C)C)S(=O)(=O)c1cc(C)c(CO)s1 ZINC000088895187 185270035 /nfs/dbraw/zinc/27/00/35/185270035.db2.gz LMEACWZSQVLPRX-UHFFFAOYSA-N 0 1 320.480 1.511 10 0 DDAEMN C[C@@H]([NH3+])c1nc(C(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 ZINC000092437225 185318142 /nfs/dbraw/zinc/31/81/42/185318142.db2.gz BYHDLHJKUHGCKM-RXMQYKEDSA-N 0 1 311.285 1.252 10 0 DDAEMN COCCNCC(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000092495476 185322235 /nfs/dbraw/zinc/32/22/35/185322235.db2.gz WRQWVROTKPFEPA-UHFFFAOYSA-N 0 1 302.758 1.532 10 0 DDAEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000092621906 185329699 /nfs/dbraw/zinc/32/96/99/185329699.db2.gz AEIFFULZWBKFTF-NSHDSACASA-N 0 1 317.842 1.637 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000092940499 185350226 /nfs/dbraw/zinc/35/02/26/185350226.db2.gz VGEJNWVLBUORRQ-CABZTGNLSA-N 0 1 311.407 1.811 10 0 DDAEMN CCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000092940499 185350227 /nfs/dbraw/zinc/35/02/27/185350227.db2.gz VGEJNWVLBUORRQ-CABZTGNLSA-N 0 1 311.407 1.811 10 0 DDAEMN O=S(=O)(c1ccccc1)N1CCC[C@H](c2nn[nH]n2)CC1 ZINC000616628661 362763141 /nfs/dbraw/zinc/76/31/41/362763141.db2.gz BWUXGLVNXDKQMH-NSHDSACASA-N 0 1 307.379 1.158 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2ccc(N)cc2Cl)n[nH]1 ZINC000080511090 192163438 /nfs/dbraw/zinc/16/34/38/192163438.db2.gz LXDAUEATMKNXJR-UHFFFAOYSA-N 0 1 315.786 1.169 10 0 DDAEMN Cc1cc(N2CCC[C@@H](NCc3cccc(O)c3)C2=O)n(C)n1 ZINC000080526236 192165036 /nfs/dbraw/zinc/16/50/36/192165036.db2.gz NIMREZIXSMAEMU-OAHLLOKOSA-N 0 1 314.389 1.719 10 0 DDAEMN Cc1nc(CN(C)S(=O)(=O)c2c(F)cccc2F)n[nH]1 ZINC000080526996 192165252 /nfs/dbraw/zinc/16/52/52/192165252.db2.gz IKBYTKJHNIBZLK-UHFFFAOYSA-N 0 1 302.306 1.212 10 0 DDAEMN NNc1cc(C(=O)Nc2cnc(Br)cn2)ccn1 ZINC000083891653 192389211 /nfs/dbraw/zinc/38/92/11/192389211.db2.gz FTRGEAASTXWILS-UHFFFAOYSA-N 0 1 309.127 1.172 10 0 DDAEMN O[C@H]1COCC[C@H]1NCc1cc(F)ccc1Br ZINC000623766554 366045828 /nfs/dbraw/zinc/04/58/28/366045828.db2.gz IGJPYJFXDIYSFB-NEPJUHHUSA-N 0 1 304.159 1.828 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cc3ccccn3c2)CCN1C[C@@H](C)O ZINC000173361785 198206312 /nfs/dbraw/zinc/20/63/12/198206312.db2.gz DYTBIZRJULEWLY-ZBFHGGJFSA-N 0 1 315.417 1.857 10 0 DDAEMN NS(=O)(=O)[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)NC1 ZINC000080105973 192001424 /nfs/dbraw/zinc/00/14/24/192001424.db2.gz QQUJPBOMLGBRDY-WDEREUQCSA-N 0 1 308.325 1.787 10 0 DDAEMN C[NH2+][C@@H](C)c1csc([N-]S(=O)(=O)c2c(C)n[nH]c2C)n1 ZINC000080868287 192197441 /nfs/dbraw/zinc/19/74/41/192197441.db2.gz NIHXLWFQFJQQHN-LURJTMIESA-N 0 1 315.424 1.564 10 0 DDAEMN Cn1nccc1[C@H]1[C@H](CNC(=O)COCC2CC2)CCCN1C ZINC000347859461 283286327 /nfs/dbraw/zinc/28/63/27/283286327.db2.gz JNWKJQMNYFKHGB-WMLDXEAASA-N 0 1 320.437 1.346 10 0 DDAEMN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000193396703 201045207 /nfs/dbraw/zinc/04/52/07/201045207.db2.gz VLYCZPNSQPSUIM-CPCISQLKSA-N 0 1 308.325 1.380 10 0 DDAEMN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000193586305 201079838 /nfs/dbraw/zinc/07/98/38/201079838.db2.gz OWNDNIVHBLJDCC-DGFSRKRXSA-N 0 1 321.808 1.947 10 0 DDAEMN CCCN[C@](CSC[C@@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258927 193028167 /nfs/dbraw/zinc/02/81/67/193028167.db2.gz AENUHZFJBMMTIC-BBRMVZONSA-N 0 1 310.463 1.728 10 0 DDAEMN Cc1cc(CN[C@@H]2CC(=O)N(C)C2=O)ccc1Br ZINC000091470296 193060767 /nfs/dbraw/zinc/06/07/67/193060767.db2.gz QGXMPELDSQMFRV-LLVKDONJSA-N 0 1 311.179 1.604 10 0 DDAEMN CCC(C)(C)NC(=O)CN1CCC(SC)(C(N)=S)CC1 ZINC000091478528 193062450 /nfs/dbraw/zinc/06/24/50/193062450.db2.gz VTGBWDMLMBXFHY-UHFFFAOYSA-N 0 1 317.524 1.775 10 0 DDAEMN COc1ccc(NC(=O)CN(C)CC2CC(O)C2)cc1Cl ZINC000091489860 193063544 /nfs/dbraw/zinc/06/35/44/193063544.db2.gz SQHARQLGYCETCJ-UHFFFAOYSA-N 0 1 312.797 1.990 10 0 DDAEMN C[N@H+](CC(=O)[N-]C(=O)c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091498759 193065395 /nfs/dbraw/zinc/06/53/95/193065395.db2.gz VMSIFVFWRGIYQO-UHFFFAOYSA-N 0 1 310.781 1.299 10 0 DDAEMN Cc1n[nH]c(CNC(C)C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113515 193161565 /nfs/dbraw/zinc/16/15/65/193161565.db2.gz KHIFOYDYTALIKP-QWRGUYRKSA-N 0 1 314.455 1.493 10 0 DDAEMN C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1Cc2nc[nH]c2CN1 ZINC000093288955 193225746 /nfs/dbraw/zinc/22/57/46/193225746.db2.gz RGJGKHJJADUVRU-MFKMUULPSA-N 0 1 304.419 1.575 10 0 DDAEMN CCOc1ccc(N)c(S[C@@H](C)C(=O)N2CCNCC2)c1 ZINC000093412579 193245158 /nfs/dbraw/zinc/24/51/58/193245158.db2.gz IYYRIFKNDQZPOO-NSHDSACASA-N 0 1 309.435 1.580 10 0 DDAEMN COC(=O)[C@]1(N)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000093598409 193272886 /nfs/dbraw/zinc/27/28/86/193272886.db2.gz MXDODCOCJMVAIF-SKDRFNHKSA-N 0 1 316.199 1.706 10 0 DDAEMN CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2nccc(=O)[n-]2)C1 ZINC000093776202 193305181 /nfs/dbraw/zinc/30/51/81/193305181.db2.gz WRDLNPGMZBOJTG-QMTHXVAHSA-N 0 1 310.423 1.028 10 0 DDAEMN COC(=O)[C@@]1(N)CC[C@H](n2nc(C)c(Br)c2C)C1 ZINC000093833796 193314287 /nfs/dbraw/zinc/31/42/87/193314287.db2.gz KFDVSLUZFDUSQK-JOYOIKCWSA-N 0 1 316.199 1.858 10 0 DDAEMN CN1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2NN)C1 ZINC000094599468 193383142 /nfs/dbraw/zinc/38/31/42/193383142.db2.gz HYKOCGASESKBLB-MRVPVSSYSA-N 0 1 302.300 1.425 10 0 DDAEMN CCN1CCC(NS(=O)(=O)c2cc(N)c(F)cc2C)CC1 ZINC000094779419 193396036 /nfs/dbraw/zinc/39/60/36/193396036.db2.gz KWSXJOVBAAHQBY-UHFFFAOYSA-N 0 1 315.414 1.479 10 0 DDAEMN COC(=O)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000040176875 183044476 /nfs/dbraw/zinc/04/44/76/183044476.db2.gz GIQXAMWSHZACNV-UHFFFAOYSA-N 0 1 314.341 1.553 10 0 DDAEMN O=S(=O)(NCCN1CCCCCC1)c1cnc(Cl)nc1 ZINC000040768166 183131902 /nfs/dbraw/zinc/13/19/02/183131902.db2.gz CYJOGLWINXGISH-UHFFFAOYSA-N 0 1 318.830 1.284 10 0 DDAEMN Cc1nc(-c2ccc(NC(=O)CNC(=O)CN)cc2)cs1 ZINC000040827050 183138011 /nfs/dbraw/zinc/13/80/11/183138011.db2.gz TZPCIFXRRHHYLB-UHFFFAOYSA-N 0 1 304.375 1.132 10 0 DDAEMN CCCO[C@H]1CCCN(S(=O)(=O)c2ccc(CN)s2)C1 ZINC000042425703 183268680 /nfs/dbraw/zinc/26/86/80/183268680.db2.gz GLDKVUWCPJKJHJ-NSHDSACASA-N 0 1 318.464 1.787 10 0 DDAEMN CC(C)CN(CCN(C)C)S(=O)(=O)c1ccccc1NN ZINC000042782271 183308399 /nfs/dbraw/zinc/30/83/99/183308399.db2.gz NYCCDSLOQGNWEQ-UHFFFAOYSA-N 0 1 314.455 1.181 10 0 DDAEMN C[C@@H](C(=O)N1CCNCC1)N(C)Cc1ccc(Cl)s1 ZINC000043403627 183358666 /nfs/dbraw/zinc/35/86/66/183358666.db2.gz XXGLJKNBBBUMLL-JTQLQIEISA-N 0 1 301.843 1.654 10 0 DDAEMN COCC(=O)N1CCC([NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000043479905 183365994 /nfs/dbraw/zinc/36/59/94/183365994.db2.gz USQZAIMUTILZRK-UHFFFAOYSA-N 0 1 312.797 1.773 10 0 DDAEMN COc1ccc(NC(=O)[C@H]2CNCCO2)cc1OC(F)F ZINC000043709134 183382534 /nfs/dbraw/zinc/38/25/34/183382534.db2.gz YKEQCICCCPCHPL-LLVKDONJSA-N 0 1 302.277 1.224 10 0 DDAEMN Cc1cc(N2CC[C@@](O)(c3c[nH]nn3)C2)c2cccc(F)c2n1 ZINC000284498080 218052908 /nfs/dbraw/zinc/05/29/08/218052908.db2.gz KDJIDPXMZANNNM-INIZCTEOSA-N 0 1 313.336 1.898 10 0 DDAEMN CC[C@@H]1CN(Cc2nc(CCC(C)C)no2)CCN1C[C@@H](C)O ZINC000105827768 194137554 /nfs/dbraw/zinc/13/75/54/194137554.db2.gz YVCOTOGEDKLOEG-HUUCEWRRSA-N 0 1 324.469 1.935 10 0 DDAEMN CC[C@H]1CN(CC(=O)Nc2cccc(F)c2)CCN1CCOC ZINC000105835940 194142872 /nfs/dbraw/zinc/14/28/72/194142872.db2.gz RBDJYLUNJHVXBF-INIZCTEOSA-N 0 1 323.412 1.807 10 0 DDAEMN CC[C@@H]1CN(CC(=O)NCCC(C)(C)C)CCN1CCOC ZINC000105837141 194144364 /nfs/dbraw/zinc/14/43/64/194144364.db2.gz RGKRRRHMTSUWGA-OAHLLOKOSA-N 0 1 313.486 1.581 10 0 DDAEMN Cc1cnn(C[C@H]2CN(CCCOCC(F)(F)F)CCO2)c1 ZINC000105892838 194160737 /nfs/dbraw/zinc/16/07/37/194160737.db2.gz WDPUBDHZNMXWJS-CYBMUJFWSA-N 0 1 321.343 1.861 10 0 DDAEMN O[C@@H](Cc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890009 194158600 /nfs/dbraw/zinc/15/86/00/194158600.db2.gz YMFRODUIIFHVHV-IRXDYDNUSA-N 0 1 301.390 1.188 10 0 DDAEMN NC(=S)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000109442595 194263896 /nfs/dbraw/zinc/26/38/96/194263896.db2.gz OKYXCLIDKKGWGW-UHFFFAOYSA-N 0 1 301.818 1.883 10 0 DDAEMN CC[C@@H](C(N)=S)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000109466545 194267131 /nfs/dbraw/zinc/26/71/31/194267131.db2.gz RLFBSYAPQXRTAZ-ZDUSSCGKSA-N 0 1 306.435 1.901 10 0 DDAEMN Cc1cccc(C(=O)N2CCN(C(C)(C)C(N)=S)CC2)n1 ZINC000109465741 194267558 /nfs/dbraw/zinc/26/75/58/194267558.db2.gz JMXRIGQDBYICGD-UHFFFAOYSA-N 0 1 306.435 1.213 10 0 DDAEMN CCN1CCN(CC(=O)Nc2ccc(Cl)c(N)c2)C[C@@H]1C ZINC000110702185 194352236 /nfs/dbraw/zinc/35/22/36/194352236.db2.gz JHGUUHZNWHLJME-NSHDSACASA-N 0 1 310.829 1.887 10 0 DDAEMN CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)C[C@@H](C)C(=O)[O-] ZINC000061220764 184166318 /nfs/dbraw/zinc/16/63/18/184166318.db2.gz IAFYTGWCJYQZDM-MRVPVSSYSA-N 0 1 310.379 1.002 10 0 DDAEMN CCNc1cc(S(=O)(=O)N2CCC[C@H]2CN(C)C)ccn1 ZINC000061655967 184181281 /nfs/dbraw/zinc/18/12/81/184181281.db2.gz VDOJCSVFYPJWEK-LBPRGKRZSA-N 0 1 312.439 1.228 10 0 DDAEMN O=C([O-])[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cscn2)CC1 ZINC000062354080 184232282 /nfs/dbraw/zinc/23/22/82/184232282.db2.gz BCSHTJMAMVHWGF-LBPRGKRZSA-N 0 1 309.391 1.297 10 0 DDAEMN CCN(CC)CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 ZINC000066212155 184397374 /nfs/dbraw/zinc/39/73/74/184397374.db2.gz ZPRZBMOGSYKIAW-UHFFFAOYSA-N 0 1 305.422 1.988 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000309656387 285107481 /nfs/dbraw/zinc/10/74/81/285107481.db2.gz VZKXGGGARJSEIH-HNNXBMFYSA-N 0 1 304.390 1.974 10 0 DDAEMN CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000309656387 285107483 /nfs/dbraw/zinc/10/74/83/285107483.db2.gz VZKXGGGARJSEIH-HNNXBMFYSA-N 0 1 304.390 1.974 10 0 DDAEMN COCCN1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C[C@H]1C ZINC000158329662 197262282 /nfs/dbraw/zinc/26/22/82/197262282.db2.gz RSRHWTIQJHWRDE-GXTWGEPZSA-N 0 1 323.441 1.011 10 0 DDAEMN CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120669188 195212085 /nfs/dbraw/zinc/21/20/85/195212085.db2.gz RAQODWJNCDKXOQ-XHSDSOJGSA-N 0 1 314.470 1.741 10 0 DDAEMN CC(C)C[C@H](C)OCCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000120669188 195212087 /nfs/dbraw/zinc/21/20/87/195212087.db2.gz RAQODWJNCDKXOQ-XHSDSOJGSA-N 0 1 314.470 1.741 10 0 DDAEMN CC[C@H]1CN(Cc2ccc(OC)c(O)c2)CC[N@H+]1CCOC ZINC000120935591 195267240 /nfs/dbraw/zinc/26/72/40/195267240.db2.gz VGNFAOJVLCTZPJ-HNNXBMFYSA-N 0 1 308.422 1.943 10 0 DDAEMN CN1[C@H]2CN(Cc3ccccn3)C[C@H]2C[C@H]1C(=O)NCC1CC1 ZINC000248061587 257110971 /nfs/dbraw/zinc/11/09/71/257110971.db2.gz UUWIXHOIJNVBEJ-PVAVHDDUSA-N 0 1 314.433 1.112 10 0 DDAEMN Cc1nc([C@@H]2C[C@H]3CCN(C(=O)c4ccccn4)C[C@@H]3O2)n[nH]1 ZINC000248001385 257111900 /nfs/dbraw/zinc/11/19/00/257111900.db2.gz BYEYDPDBYUQQRL-XBFCOCLRSA-N 0 1 313.361 1.500 10 0 DDAEMN COc1ccccc1CN1CC[C@H]2OCCN(C(C)=O)[C@@H]2C1 ZINC000247957635 257113351 /nfs/dbraw/zinc/11/33/51/257113351.db2.gz UDRVNRQFQHBVJG-NVXWUHKLSA-N 0 1 304.390 1.517 10 0 DDAEMN CNC(=O)[C@@H]1CO[C@H]2CN(Cc3ccc4ccccc4n3)C[C@H]21 ZINC000247984344 257113476 /nfs/dbraw/zinc/11/34/76/257113476.db2.gz YMWHTVVEZNKDFZ-UXLLHSPISA-N 0 1 311.385 1.428 10 0 DDAEMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329173940 533544084 /nfs/dbraw/zinc/54/40/84/533544084.db2.gz KZMWNLAICLURKO-UTUOFQBUSA-N 0 1 321.381 1.240 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114409819 407570552 /nfs/dbraw/zinc/57/05/52/407570552.db2.gz WZCWBVUZUJCIJV-DOTOQJQBSA-N 0 1 312.417 1.556 10 0 DDAEMN COc1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1 ZINC000029319509 406922301 /nfs/dbraw/zinc/92/23/01/406922301.db2.gz ZKTMYWJUMURVNS-UHFFFAOYSA-N 0 1 310.317 1.831 10 0 DDAEMN C[C@@H]1COC[C@@H](C)N1CCC(=O)NC(=O)NCc1ccccc1 ZINC000077368030 406986203 /nfs/dbraw/zinc/98/62/03/406986203.db2.gz BDNYTXBJTQBJNW-ZIAGYGMSSA-N 0 1 319.405 1.512 10 0 DDAEMN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000048983201 407113200 /nfs/dbraw/zinc/11/32/00/407113200.db2.gz INUFBRLJFAFUQN-YUMQZZPRSA-N 0 1 301.749 1.974 10 0 DDAEMN O=c1nc(CCn2cnc3ccccc3c2=O)[nH]c2ccsc21 ZINC000053847893 407174632 /nfs/dbraw/zinc/17/46/32/407174632.db2.gz DZVRFFWFDDRLMI-UHFFFAOYSA-N 0 1 324.365 1.937 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000123137661 407320562 /nfs/dbraw/zinc/32/05/62/407320562.db2.gz SLAGTRAYXGAIKG-OTWHNJEPSA-N 0 1 324.424 1.934 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)Nc3cccc(C)n3)CCO2)n[nH]1 ZINC000124288327 407353159 /nfs/dbraw/zinc/35/31/59/407353159.db2.gz HOIRNLCMSOITSP-NSHDSACASA-N 0 1 316.365 1.676 10 0 DDAEMN CC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCN1C[C@@H](C)O ZINC000105827723 407355648 /nfs/dbraw/zinc/35/56/48/407355648.db2.gz JWFUWDUVQXRZJH-CHWSQXEVSA-N 0 1 312.376 1.732 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)OC(C)(C)C ZINC000106914195 407366011 /nfs/dbraw/zinc/36/60/11/407366011.db2.gz XCUGJVIJMZRXDB-OAHLLOKOSA-N 0 1 320.433 1.959 10 0 DDAEMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000170873514 407541644 /nfs/dbraw/zinc/54/16/44/407541644.db2.gz AQWHUSWGGMRXSQ-LLVKDONJSA-N 0 1 303.815 1.201 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)Nc3cc(C)on3)CCO2)n[nH]1 ZINC000130042780 407647897 /nfs/dbraw/zinc/64/78/97/407647897.db2.gz PDSFTGQRQGWTCA-SECBINFHSA-N 0 1 306.326 1.269 10 0 DDAEMN CCc1cc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)n[nH]1 ZINC000116774576 407774405 /nfs/dbraw/zinc/77/44/05/407774405.db2.gz QZRZBWDNIFQMNC-CYBMUJFWSA-N 0 1 316.409 1.733 10 0 DDAEMN Cc1ccc(C(=O)CCC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000116798019 407780693 /nfs/dbraw/zinc/78/06/93/407780693.db2.gz GBKNOORXUFDQEB-INIZCTEOSA-N 0 1 318.417 1.747 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000262351282 407808971 /nfs/dbraw/zinc/80/89/71/407808971.db2.gz UMQDVAVXFOSUOK-SECBINFHSA-N 0 1 312.782 1.771 10 0 DDAEMN COC[C@@H](N)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000262364028 407812850 /nfs/dbraw/zinc/81/28/50/407812850.db2.gz VWSSRJAIAWAYCK-IUODEOHRSA-N 0 1 309.385 1.005 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000262440080 407836658 /nfs/dbraw/zinc/83/66/58/407836658.db2.gz USXKXRDEXBUSTN-MFKMUULPSA-N 0 1 304.350 1.327 10 0 DDAEMN COc1cccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1OC ZINC000180112063 407857162 /nfs/dbraw/zinc/85/71/62/407857162.db2.gz GLWBWMYIKONJSX-CQSZACIVSA-N 0 1 318.377 1.704 10 0 DDAEMN COC[C@H](N)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F ZINC000262564405 407869469 /nfs/dbraw/zinc/86/94/69/407869469.db2.gz RITZNNVLVPXFOL-ZDUSSCGKSA-N 0 1 318.339 1.902 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC000262704615 407904885 /nfs/dbraw/zinc/90/48/85/407904885.db2.gz JAWHDRZAIDABFZ-UHFFFAOYSA-N 0 1 308.353 1.422 10 0 DDAEMN CC[C@H]1CN([C@@H](C)c2nc(COC)no2)CCN1CCOC ZINC000181819075 408045597 /nfs/dbraw/zinc/04/55/97/408045597.db2.gz LHPSLGSDFLMKCM-STQMWFEESA-N 0 1 312.414 1.320 10 0 DDAEMN CC[C@@H]1CN(Cc2nc([C@H](C)OC)no2)CCN1C[C@@H](C)O ZINC000245473448 407998319 /nfs/dbraw/zinc/99/83/19/407998319.db2.gz PZVUARVWPLVTQB-FRRDWIJNSA-N 0 1 312.414 1.054 10 0 DDAEMN C[C@H](O)CN1CCN(CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000245560195 408016141 /nfs/dbraw/zinc/01/61/41/408016141.db2.gz MNKCQBLIQHGFIG-KBPBESRZSA-N 0 1 308.397 1.785 10 0 DDAEMN CCOC(=O)c1ccc(CN2CCN(CCOC)[C@@H](C)C2)o1 ZINC000245810771 408071614 /nfs/dbraw/zinc/07/16/14/408071614.db2.gz ZIHHUTSXQWSXIQ-ZDUSSCGKSA-N 0 1 310.394 1.609 10 0 DDAEMN CN1CCO[C@H](C[N@H+](Cc2ccc(C(=O)[O-])cc2)CC2CC2)C1 ZINC000263386253 408125720 /nfs/dbraw/zinc/12/57/20/408125720.db2.gz CVUWEMQRRPYOGP-KRWDZBQOSA-N 0 1 318.417 1.927 10 0 DDAEMN CCc1cccc(CC(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)c1 ZINC000263450384 408144599 /nfs/dbraw/zinc/14/45/99/408144599.db2.gz SCOZNMVBBLTYFP-UHFFFAOYSA-N 0 1 318.417 1.845 10 0 DDAEMN O=C([O-])C[N@H+](CC1CC1)C1CC(NCc2cccc(O)c2)C1 ZINC000263531185 408164981 /nfs/dbraw/zinc/16/49/81/408164981.db2.gz WOIVPUNPLURIOU-UHFFFAOYSA-N 0 1 304.390 1.809 10 0 DDAEMN Cc1ccc2nc(CN3C[C@H](C)[C@H](N4CCOCC4)C3)cn2c1 ZINC000175587691 408168904 /nfs/dbraw/zinc/16/89/04/408168904.db2.gz XOUXZWHTWGSLFA-DOTOQJQBSA-N 0 1 314.433 1.795 10 0 DDAEMN O=C1[C@@H](N2CCN3CCCC[C@@H]3C2)CCN1CC(F)(F)F ZINC000246270361 408197945 /nfs/dbraw/zinc/19/79/45/408197945.db2.gz ZUDCKFWMQLKVOI-NEPJUHHUSA-N 0 1 305.344 1.320 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)COC(C)(C)C ZINC000246286240 408206388 /nfs/dbraw/zinc/20/63/88/408206388.db2.gz OFSOTLFAZVHROC-XQLPTFJDSA-N 0 1 313.438 1.969 10 0 DDAEMN COc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182740877 408236057 /nfs/dbraw/zinc/23/60/57/408236057.db2.gz RIOULUWGOBOXNH-CYBMUJFWSA-N 0 1 315.377 1.979 10 0 DDAEMN CC[C@H]1CN(C(=O)COCc2ccccc2)CCN1C[C@H](C)O ZINC000246739658 408331257 /nfs/dbraw/zinc/33/12/57/408331257.db2.gz GBCRRKZTOCOBLN-RDJZCZTQSA-N 0 1 320.433 1.507 10 0 DDAEMN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H](CO)c1ccccc1 ZINC000182916853 408283660 /nfs/dbraw/zinc/28/36/60/408283660.db2.gz BQFIDILNBAGNEZ-OCCSQVGLSA-N 0 1 307.394 1.180 10 0 DDAEMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246828406 408351696 /nfs/dbraw/zinc/35/16/96/408351696.db2.gz CQLPNLJKEASGGK-BRWVUGGUSA-N 0 1 323.481 1.430 10 0 DDAEMN CC(C)c1nnc(CN2CCC(N3CCO[C@@H](C)C3)CC2)o1 ZINC000171145537 162206350 /nfs/dbraw/zinc/20/63/50/162206350.db2.gz DMODROORTSFALW-ZDUSSCGKSA-N 0 1 308.426 1.878 10 0 DDAEMN CC[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CCN1C[C@H](C)O ZINC000247018607 408386684 /nfs/dbraw/zinc/38/66/84/408386684.db2.gz COQRFTKCBUKZJA-OWCLPIDISA-N 0 1 311.470 1.022 10 0 DDAEMN COc1cc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)ccc1C ZINC000173551771 162349604 /nfs/dbraw/zinc/34/96/04/162349604.db2.gz QOQNTHIUYWUZLE-CQSZACIVSA-N 0 1 316.361 1.644 10 0 DDAEMN Cc1nc([C@H]2CN(CC(=O)Nc3ccccc3C)CCO2)n[nH]1 ZINC000173670050 162354832 /nfs/dbraw/zinc/35/48/32/162354832.db2.gz PJRADQPAONGUOY-CQSZACIVSA-N 0 1 315.377 1.434 10 0 DDAEMN COC(=O)c1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173662787 162356559 /nfs/dbraw/zinc/35/65/59/162356559.db2.gz BBMCDKQVLRRHAS-AWEZNQCLSA-N 0 1 316.361 1.473 10 0 DDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(C)OCCCO1 ZINC000191108869 408372317 /nfs/dbraw/zinc/37/23/17/408372317.db2.gz LLTBFNSQCHPUDH-HNNXBMFYSA-N 0 1 306.406 1.429 10 0 DDAEMN COC(=O)c1cc(CN2CC[C@H](N3CCOCC3)C2)oc1C ZINC000173933897 162377267 /nfs/dbraw/zinc/37/72/67/162377267.db2.gz FBUVUSNZTIWIGU-ZDUSSCGKSA-N 0 1 308.378 1.281 10 0 DDAEMN CC1CCC(N(C)C(=O)CN2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173923205 162378064 /nfs/dbraw/zinc/37/80/64/162378064.db2.gz BNVULFQVAQOMOR-JCYILVPMSA-N 0 1 323.481 1.430 10 0 DDAEMN CC[C@@H](O)CN1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 ZINC000183579787 408446745 /nfs/dbraw/zinc/44/67/45/408446745.db2.gz NSKUEIMVKSLIBA-LQYUOIDQSA-N 0 1 304.390 1.321 10 0 DDAEMN COc1ccccc1COC[C@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000247348518 408454201 /nfs/dbraw/zinc/45/42/01/408454201.db2.gz ZJKGCWXTSYUBOF-IJEWVQPXSA-N 0 1 309.406 1.682 10 0 DDAEMN Cc1nc([C@@H]2CN([C@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n[nH]1 ZINC000247230218 408433569 /nfs/dbraw/zinc/43/35/69/408433569.db2.gz WUSYEECZGRENLZ-OCCSQVGLSA-N 0 1 323.441 1.520 10 0 DDAEMN CN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247231274 408434263 /nfs/dbraw/zinc/43/42/63/408434263.db2.gz XAZHUNCCLQPFLA-IAGOWNOFSA-N 0 1 317.433 1.222 10 0 DDAEMN CS[C@H](CO)[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000247662834 408500481 /nfs/dbraw/zinc/50/04/81/408500481.db2.gz YECWJHQEZWXSRB-AEGPPILISA-N 0 1 310.463 1.388 10 0 DDAEMN CC(C)COCCCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248603517 408594728 /nfs/dbraw/zinc/59/47/28/408594728.db2.gz JLEHVKCTJOBLCK-CABCVRRESA-N 0 1 315.458 1.146 10 0 DDAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCN1CCO[C@H](C)C1 ZINC000249211068 408704259 /nfs/dbraw/zinc/70/42/59/408704259.db2.gz CWHHIXSZZQMISI-QXSJWSMHSA-N 0 1 310.438 1.513 10 0 DDAEMN O=C([C@H](c1ccccc1)N1C[C@H](O)C[C@@H]1CO)N1CCCCC1 ZINC000184725687 408675024 /nfs/dbraw/zinc/67/50/24/408675024.db2.gz KAZFZVSSLKZXEC-ZACQAIPSSA-N 0 1 318.417 1.168 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccnn3C)C2=O)n(C)n1 ZINC000193094425 408694535 /nfs/dbraw/zinc/69/45/35/408694535.db2.gz LYJKFRBEOKIIBE-QWHCGFSZSA-N 0 1 316.409 1.308 10 0 DDAEMN OC[C@H]1C[C@H](O)CN1CCCc1ccccc1Br ZINC000185147194 408770571 /nfs/dbraw/zinc/77/05/71/408770571.db2.gz LTBUPCYJRQXLSC-OLZOCXBDSA-N 0 1 314.223 1.809 10 0 DDAEMN O=C(Cc1ccc2c(c1)OCO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195047999 163304644 /nfs/dbraw/zinc/30/46/44/163304644.db2.gz OZWUVQGENXQIPI-AWEZNQCLSA-N 0 1 302.374 1.655 10 0 DDAEMN O=C(Cc1ccc2c(c1)OCO2)N1CCN2CCCC[C@H]2C1 ZINC000195047999 163304648 /nfs/dbraw/zinc/30/46/48/163304648.db2.gz OZWUVQGENXQIPI-AWEZNQCLSA-N 0 1 302.374 1.655 10 0 DDAEMN O=C(c1cnc(-c2ncccn2)s1)N1CCN2CCC[C@@H]2C1 ZINC000195190477 163311606 /nfs/dbraw/zinc/31/16/06/163311606.db2.gz BXGFULYWBWQRAF-LLVKDONJSA-N 0 1 315.402 1.520 10 0 DDAEMN CCc1noc([C@@H](C)N2CCN(CC[C@@H]3CCCO3)CC2)n1 ZINC000189189599 306721906 /nfs/dbraw/zinc/72/19/06/306721906.db2.gz LJLZSXKPKFXNLT-KGLIPLIRSA-N 0 1 308.426 1.880 10 0 DDAEMN CC[C@@H]1CN([C@H](C(N)=O)c2ccccc2)CCN1CCOC ZINC000105836600 287209588 /nfs/dbraw/zinc/20/95/88/287209588.db2.gz LQYWPNQBISZEPF-CVEARBPZSA-N 0 1 305.422 1.256 10 0 DDAEMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000637866887 422434299 /nfs/dbraw/zinc/43/42/99/422434299.db2.gz CXRLOXDMXBLATA-RZLSGREXSA-N 0 1 306.406 1.555 10 0 DDAEMN CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000344559365 272059380 /nfs/dbraw/zinc/05/93/80/272059380.db2.gz ZTBZBXHJZXAINQ-HOTGVXAUSA-N 0 1 314.389 1.255 10 0 DDAEMN CC(C)C[C@H](C[NH+](C)C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000098022567 279133288 /nfs/dbraw/zinc/13/32/88/279133288.db2.gz GZNAUKCOTOLJJE-GFCCVEGCSA-N 0 1 316.405 1.629 10 0 DDAEMN CC(C)N(C(=O)[C@@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1)C(C)C ZINC000247011064 279300706 /nfs/dbraw/zinc/30/07/06/279300706.db2.gz CEQLGAXNJJMBTB-HRCADAONSA-N 0 1 313.486 1.407 10 0 DDAEMN CC[C@](C)(O)CN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000123475141 281172137 /nfs/dbraw/zinc/17/21/37/281172137.db2.gz OEIGWASLPAMUOY-SFHVURJKSA-N 0 1 304.434 1.843 10 0 DDAEMN Cc1nc([C@@H]2CCCCN2C(=O)CCc2cnccn2)n[nH]1 ZINC000328763037 534553046 /nfs/dbraw/zinc/55/30/46/534553046.db2.gz ZEVLHHMUVDTERZ-ZDUSSCGKSA-N 0 1 300.366 1.590 10 0 DDAEMN COCCN1CCN(Cn2nccc2-c2ccncc2)C[C@@H]1C ZINC000117321885 696670285 /nfs/dbraw/zinc/67/02/85/696670285.db2.gz HBYRDHVHYFFXJV-HNNXBMFYSA-N 0 1 315.421 1.555 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Cn2cccn2)cc1 ZINC000222540066 697757198 /nfs/dbraw/zinc/75/71/98/697757198.db2.gz SJNKOPZXYYQYOG-QGZVFWFLSA-N 0 1 310.401 1.755 10 0 DDAEMN O[C@H](CN1CCC[C@@H](n2cncn2)C1)c1ccc(F)c(F)c1 ZINC000247009637 698359205 /nfs/dbraw/zinc/35/92/05/698359205.db2.gz BZMKGHUNLPVUSN-IUODEOHRSA-N 0 1 308.332 1.927 10 0 DDAEMN CCC[C@@H]1CC(=O)N(CN2CCN(CCOC)[C@@H](CC)C2)C1 ZINC000247507658 698367059 /nfs/dbraw/zinc/36/70/59/698367059.db2.gz YHIKRQRQGDYTQE-CVEARBPZSA-N 0 1 311.470 1.635 10 0 DDAEMN C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379617019 699059830 /nfs/dbraw/zinc/05/98/30/699059830.db2.gz MVYOTZMSHXCUBJ-ZFWWWQNUSA-N 0 1 319.405 1.813 10 0 DDAEMN C[C@@H](NCC1CC(NC(=O)OC(C)(C)C)C1)c1cn(C)nn1 ZINC000715923826 699278060 /nfs/dbraw/zinc/27/80/60/699278060.db2.gz SSYVPWGQPMCQTG-VOMCLLRMSA-N 0 1 309.414 1.769 10 0 DDAEMN C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000722653338 699319573 /nfs/dbraw/zinc/31/95/73/699319573.db2.gz NMVMJNXGPKGNLB-BMFZPTHFSA-N 0 1 307.390 1.607 10 0 DDAEMN CCc1noc(COC2CN([C@@H]3CCOC4(CCC4)C3)C2)n1 ZINC000886097262 708697644 /nfs/dbraw/zinc/69/76/44/708697644.db2.gz XSSMYNZDTDWAMP-GFCCVEGCSA-N 0 1 307.394 1.935 10 0 DDAEMN O=C([O-])C12CCC(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)(CC1)C2 ZINC000910683931 710046271 /nfs/dbraw/zinc/04/62/71/710046271.db2.gz JRRIJUIHPBYVTR-IGEOTXOUSA-N 0 1 306.406 1.718 10 0 DDAEMN O=C([O-])C12CCC(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)(CC1)C2 ZINC000910683931 710046278 /nfs/dbraw/zinc/04/62/78/710046278.db2.gz JRRIJUIHPBYVTR-IGEOTXOUSA-N 0 1 306.406 1.718 10 0 DDAEMN O=C1COc2ccc(CN3CCCC[C@@H]3c3nnc[nH]3)cc2N1 ZINC000895198004 711450966 /nfs/dbraw/zinc/45/09/66/711450966.db2.gz LUIZNYYSEBXZDB-CYBMUJFWSA-N 0 1 313.361 1.863 10 0 DDAEMN Cc1noc(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000074639410 185004881 /nfs/dbraw/zinc/00/48/81/185004881.db2.gz PVNVDHSGOWLVCE-UHFFFAOYSA-N 0 1 315.377 1.311 10 0 DDAEMN COc1ccc([C@@H]([NH3+])CSc2nccc(=O)[n-]2)c(OC)c1 ZINC000081775079 192322962 /nfs/dbraw/zinc/32/29/62/192322962.db2.gz HUYJOCRRZXPPRU-NSHDSACASA-N 0 1 307.375 1.992 10 0 DDAEMN CN[C@@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000081924429 192340468 /nfs/dbraw/zinc/34/04/68/192340468.db2.gz DRVZCSUHVSFVOR-LBPRGKRZSA-N 0 1 313.419 1.932 10 0 DDAEMN Cn1ncc2c1nc(CSc1ccc(Cl)cn1)nc2NN ZINC000079449550 185172194 /nfs/dbraw/zinc/17/21/94/185172194.db2.gz XIFFXUIFTUIAPU-UHFFFAOYSA-N 0 1 321.797 1.990 10 0 DDAEMN Nc1cnc2ccc(Br)cc2c1NC(CO)CO ZINC000087749998 185231452 /nfs/dbraw/zinc/23/14/52/185231452.db2.gz BYMHXRGMGLLELD-UHFFFAOYSA-N 0 1 312.167 1.345 10 0 DDAEMN NNc1ncc(Br)c(Oc2cccc(CO)c2)n1 ZINC000087886011 185234450 /nfs/dbraw/zinc/23/44/50/185234450.db2.gz PKGGSZGYXKOYFC-UHFFFAOYSA-N 0 1 311.139 1.809 10 0 DDAEMN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1n[nH]c2ccccc21 ZINC000088199752 185241685 /nfs/dbraw/zinc/24/16/85/185241685.db2.gz DMWDXHDVJXTWOI-LBPRGKRZSA-N 0 1 310.361 1.982 10 0 DDAEMN C[C@H](NCC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182198455 539239038 /nfs/dbraw/zinc/23/90/38/539239038.db2.gz MNAMRGRDSCIRMT-LBPRGKRZSA-N 0 1 324.446 1.657 10 0 DDAEMN CCCc1cc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)n[nH]1 ZINC000183762655 539243543 /nfs/dbraw/zinc/24/35/43/539243543.db2.gz WQHKEGXYELLGRK-GFCCVEGCSA-N 0 1 305.338 1.267 10 0 DDAEMN O=S(=O)(Nc1cnc(Br)cn1)C1CCOCC1 ZINC000088448440 185251506 /nfs/dbraw/zinc/25/15/06/185251506.db2.gz YWHYOGGZZBEVNK-UHFFFAOYSA-N 0 1 322.184 1.160 10 0 DDAEMN CC(C)NCc1ccc(S(=O)(=O)N2CCOC[C@H]2C)o1 ZINC000088543810 185256929 /nfs/dbraw/zinc/25/69/29/185256929.db2.gz BHNBCPXCMFVCME-LLVKDONJSA-N 0 1 302.396 1.187 10 0 DDAEMN CCCn1ncnc1C[S@](=O)c1nc2ccc(N)cc2[nH]1 ZINC000088618333 185260350 /nfs/dbraw/zinc/26/03/50/185260350.db2.gz IKDXUCSCOZRYHV-OAQYLSRUSA-N 0 1 304.379 1.454 10 0 DDAEMN Nc1c2cc3c(nc2sc1C(=O)N1CCNCC1)CCC3 ZINC000088641210 185260710 /nfs/dbraw/zinc/26/07/10/185260710.db2.gz KNYZRMAPKVTVNP-UHFFFAOYSA-N 0 1 302.403 1.413 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1cccc(Br)c1 ZINC000088752510 185264106 /nfs/dbraw/zinc/26/41/06/185264106.db2.gz FQPGJKPCMLTWPN-UHFFFAOYSA-N 0 1 316.180 1.651 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000088759549 185264312 /nfs/dbraw/zinc/26/43/12/185264312.db2.gz QHBAIVSGOZYJQM-UHFFFAOYSA-N 0 1 321.280 1.787 10 0 DDAEMN O=S(=O)(NCc1cnc[nH]1)c1ccccc1OC(F)(F)F ZINC000088759503 185264352 /nfs/dbraw/zinc/26/43/52/185264352.db2.gz LTQUKVOIUGSZQS-UHFFFAOYSA-N 0 1 321.280 1.787 10 0 DDAEMN Cc1[nH]nc(CO)c1S(=O)(=O)N(Cc1ccco1)C1CC1 ZINC000088891824 185269612 /nfs/dbraw/zinc/26/96/12/185269612.db2.gz BRDJGDOBHAXKQH-UHFFFAOYSA-N 0 1 311.363 1.157 10 0 DDAEMN COc1c(CN2CCC[C@@H](Cc3noc(C)n3)C2)c(C)nn1C ZINC000092814086 185343147 /nfs/dbraw/zinc/34/31/47/185343147.db2.gz ZNERYMOBBFZMLO-ZDUSSCGKSA-N 0 1 319.409 1.883 10 0 DDAEMN O=C(c1c[nH]nc1[C@H]1CCCCN1)N1CCOCC(F)(F)C1 ZINC000685942886 539566584 /nfs/dbraw/zinc/56/65/84/539566584.db2.gz SNGWCWPCOKBVGS-LLVKDONJSA-N 0 1 314.336 1.332 10 0 DDAEMN O=C(c1ccc(F)cc1O)N1CCCN(c2cccnn2)CC1 ZINC000123706823 185834916 /nfs/dbraw/zinc/83/49/16/185834916.db2.gz WOFADRMVPZVYKJ-UHFFFAOYSA-N 0 1 316.336 1.674 10 0 DDAEMN COC(=O)[C@H](c1ccccc1F)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000173334246 186177940 /nfs/dbraw/zinc/17/79/40/186177940.db2.gz RLNALUWIAAHCGI-ZENOOKHLSA-N 0 1 324.396 1.427 10 0 DDAEMN CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(=O)[O-])c2cccs2)[C@@H]1[NH3+] ZINC000090684680 353797271 /nfs/dbraw/zinc/79/72/71/353797271.db2.gz WDLZIQYFGMTKLA-MIMYLULJSA-N 0 1 312.391 1.432 10 0 DDAEMN CCOCCN1CCN(Cc2cccc3nccn32)C[C@H]1C ZINC000245838131 354354864 /nfs/dbraw/zinc/35/48/64/354354864.db2.gz IWAVQOCJXDSABV-OAHLLOKOSA-N 0 1 302.422 1.877 10 0 DDAEMN O=C(Nc1ccccc1)c1cn(CCNCc2ccco2)nn1 ZINC000299790372 354457635 /nfs/dbraw/zinc/45/76/35/354457635.db2.gz BOLUJGHQTRAMRC-UHFFFAOYSA-N 0 1 311.345 1.913 10 0 DDAEMN CCN(CC(=O)N1CCN(CC)[C@H](c2nccn2C)C1)C1CC1 ZINC000328643354 354557984 /nfs/dbraw/zinc/55/79/84/354557984.db2.gz YURUDTONSMDRCS-HNNXBMFYSA-N 0 1 319.453 1.110 10 0 DDAEMN Cc1nc2cc(S(=O)(=O)Nc3ncccn3)ccc2n1C ZINC000074945401 191393427 /nfs/dbraw/zinc/39/34/27/191393427.db2.gz GIEYGJSVLAWISF-UHFFFAOYSA-N 0 1 303.347 1.473 10 0 DDAEMN CCOC(=O)C[C@]1(N2CCCCCC2)CCS(=O)(=O)C1 ZINC000080685734 192181718 /nfs/dbraw/zinc/18/17/18/192181718.db2.gz BIJHFYRXVYAAHX-CQSZACIVSA-N 0 1 303.424 1.373 10 0 DDAEMN COC(=O)C[C@H](NC(=O)c1coc(CN)c1)c1ccccc1 ZINC000187279859 200087883 /nfs/dbraw/zinc/08/78/83/200087883.db2.gz MCTWNVDCSGRKJD-AWEZNQCLSA-N 0 1 302.330 1.773 10 0 DDAEMN COC(=O)c1cncc(Sc2nc3ccc(N)cc3[nH]2)n1 ZINC000091419364 193053595 /nfs/dbraw/zinc/05/35/95/193053595.db2.gz GDIJHLJJCFVFJT-UHFFFAOYSA-N 0 1 301.331 1.873 10 0 DDAEMN CCc1nn(C)c(CC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1Cl ZINC000091714164 193095984 /nfs/dbraw/zinc/09/59/84/193095984.db2.gz NEVSVKKHFGNZRD-YGRLFVJLSA-N 0 1 311.813 1.611 10 0 DDAEMN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2)c2c1NCCC2 ZINC000094196603 193348430 /nfs/dbraw/zinc/34/84/30/193348430.db2.gz GJRJNNULRJYWCR-UHFFFAOYSA-N 0 1 306.391 1.887 10 0 DDAEMN C[N@H+]1CCN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CC1(C)C ZINC000094227030 193351802 /nfs/dbraw/zinc/35/18/02/193351802.db2.gz HHPHAOGFALVNLJ-NSHDSACASA-N 0 1 311.304 1.128 10 0 DDAEMN CS(=O)(=O)[C@@H]1CCC[C@@H](N(CCO)Cc2ccccc2)C1 ZINC000094643697 193390063 /nfs/dbraw/zinc/39/00/63/193390063.db2.gz FQRKTIHUAWXWTE-HZPDHXFCSA-N 0 1 311.447 1.837 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(N)cccc1F ZINC000094457235 193371774 /nfs/dbraw/zinc/37/17/74/193371774.db2.gz ZJAPFBZIKCDXQN-WDEREUQCSA-N 0 1 313.398 1.265 10 0 DDAEMN C[C@H](Nc1nc2c(Br)cccn2n1)c1nn[nH]n1 ZINC000094604995 193383891 /nfs/dbraw/zinc/38/38/91/193383891.db2.gz CNWBCAZKFRNUBE-YFKPBYRVSA-N 0 1 309.131 1.178 10 0 DDAEMN Cc1cc(F)c(N)cc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000094779673 193397467 /nfs/dbraw/zinc/39/74/67/193397467.db2.gz OAWJRVSYQKMAGG-JTQLQIEISA-N 0 1 301.387 1.041 10 0 DDAEMN COCCN1[C@@H](C)CN(C(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000036123444 182803957 /nfs/dbraw/zinc/80/39/57/182803957.db2.gz NIXCBLGXEVWWDY-KBPBESRZSA-N 0 1 308.397 1.936 10 0 DDAEMN COc1cc(CNC(C)(C)C(N)=O)cc(Br)c1O ZINC000040673964 183116062 /nfs/dbraw/zinc/11/60/62/183116062.db2.gz UDAVZWWZCJHCHG-UHFFFAOYSA-N 0 1 317.183 1.517 10 0 DDAEMN CCOC(=O)CS(=O)(=O)Nc1cccc(Br)c1 ZINC000042250102 183246687 /nfs/dbraw/zinc/24/66/87/183246687.db2.gz GCWMGKRMRSXARG-UHFFFAOYSA-N 0 1 322.180 1.754 10 0 DDAEMN C[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593103 183374595 /nfs/dbraw/zinc/37/45/95/183374595.db2.gz XITAEWRGMVTJLB-JTQLQIEISA-N 0 1 301.387 1.171 10 0 DDAEMN Cn1cc(CCCNC(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000105232732 194087489 /nfs/dbraw/zinc/08/74/89/194087489.db2.gz VOBDYMSOFXOFEA-OAHLLOKOSA-N 0 1 305.426 1.232 10 0 DDAEMN Cc1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)n[nH]1 ZINC000105816427 194135635 /nfs/dbraw/zinc/13/56/35/194135635.db2.gz CIAOFHCPWBNOPW-UHFFFAOYSA-N 0 1 300.366 1.249 10 0 DDAEMN O=S1(=O)CC[C@H](NCc2ccc(O)c(Br)c2)C1 ZINC000058055313 184072403 /nfs/dbraw/zinc/07/24/03/184072403.db2.gz JUOLXRIUFQMWFT-VIFPVBQESA-N 0 1 320.208 1.431 10 0 DDAEMN CCNc1ccccc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000061655953 184181143 /nfs/dbraw/zinc/18/11/43/184181143.db2.gz VFYDBDIJQKDLBQ-ZDUSSCGKSA-N 0 1 311.451 1.833 10 0 DDAEMN COCCNCc1c(Cl)cccc1N(C)C[C@@H](O)COC ZINC000062737699 184252160 /nfs/dbraw/zinc/25/21/60/184252160.db2.gz TUAKRGWRUUJCHM-GFCCVEGCSA-N 0 1 316.829 1.520 10 0 DDAEMN O=S(=O)(NOCCN1CCCC1)c1ccc2c(c1)CCCC2 ZINC000062578382 184244462 /nfs/dbraw/zinc/24/44/62/184244462.db2.gz QESVXMDFZSVQSZ-UHFFFAOYSA-N 0 1 324.446 1.871 10 0 DDAEMN CCCNc1ccccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000062984592 184264918 /nfs/dbraw/zinc/26/49/18/184264918.db2.gz HALONOAMUXUHTD-ZDUSSCGKSA-N 0 1 311.451 1.833 10 0 DDAEMN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2cccnc2)C1)N1CCCC1 ZINC000253615499 257104553 /nfs/dbraw/zinc/10/45/53/257104553.db2.gz OEAWTVWOJWWFQZ-IKGGRYGDSA-N 0 1 315.417 1.683 10 0 DDAEMN C[C@H]1C[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000075518355 406934274 /nfs/dbraw/zinc/93/42/74/406934274.db2.gz YBLVARUIMMASFY-CABZTGNLSA-N 0 1 303.387 1.974 10 0 DDAEMN CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000105817949 407355808 /nfs/dbraw/zinc/35/58/08/407355808.db2.gz HURSLXVJAPQXOA-INIZCTEOSA-N 0 1 309.454 1.040 10 0 DDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000105817949 407355809 /nfs/dbraw/zinc/35/58/09/407355809.db2.gz HURSLXVJAPQXOA-INIZCTEOSA-N 0 1 309.454 1.040 10 0 DDAEMN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(C)[nH]1 ZINC000103253463 407334793 /nfs/dbraw/zinc/33/47/93/407334793.db2.gz AZBLYGHVSLMENL-GXFFZTMASA-N 0 1 315.377 1.896 10 0 DDAEMN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C)n[nH]1 ZINC000103253463 407334794 /nfs/dbraw/zinc/33/47/94/407334794.db2.gz AZBLYGHVSLMENL-GXFFZTMASA-N 0 1 315.377 1.896 10 0 DDAEMN Cc1noc(C)c1CCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000107395465 407374895 /nfs/dbraw/zinc/37/48/95/407374895.db2.gz BIBRBNZOPBEVSF-CQSZACIVSA-N 0 1 306.410 1.714 10 0 DDAEMN Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)c(F)c1 ZINC000113305682 407493048 /nfs/dbraw/zinc/49/30/48/407493048.db2.gz CBUVSWWUHJSOFJ-QWHCGFSZSA-N 0 1 312.410 1.991 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cnn3c2CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000128215314 407510222 /nfs/dbraw/zinc/51/02/22/407510222.db2.gz WARJOXPYGPACAQ-KGLIPLIRSA-N 0 1 320.437 1.137 10 0 DDAEMN CC[C@H]1CN(C(=O)c2cnn3c2CCCC3)CCN1C[C@@H](C)O ZINC000128215314 407510227 /nfs/dbraw/zinc/51/02/27/407510227.db2.gz WARJOXPYGPACAQ-KGLIPLIRSA-N 0 1 320.437 1.137 10 0 DDAEMN COCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000171189313 407620453 /nfs/dbraw/zinc/62/04/53/407620453.db2.gz VYOSGDDIINOZFV-LLVKDONJSA-N 0 1 315.364 1.903 10 0 DDAEMN CN[C@@](C)(C(N)=O)c1ccc(I)cc1 ZINC000234425074 407709600 /nfs/dbraw/zinc/70/96/00/407709600.db2.gz NJZJZUIRMGIURE-SNVBAGLBSA-N 0 1 304.131 1.211 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000186631270 407724264 /nfs/dbraw/zinc/72/42/64/407724264.db2.gz JAFFYDVBZYIADU-UHFFFAOYSA-N 0 1 318.417 1.935 10 0 DDAEMN COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000171698743 407746012 /nfs/dbraw/zinc/74/60/12/407746012.db2.gz AYPUUJOCTFABFX-NSHDSACASA-N 0 1 308.403 1.389 10 0 DDAEMN COc1ccc(C(=O)NC(=O)CN2CCS[C@@H](C)C2)cc1 ZINC000171698743 407746015 /nfs/dbraw/zinc/74/60/15/407746015.db2.gz AYPUUJOCTFABFX-NSHDSACASA-N 0 1 308.403 1.389 10 0 DDAEMN COC[C@H](N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000262210394 407767308 /nfs/dbraw/zinc/76/73/08/407767308.db2.gz DWVRLETWEMTAIP-JSGCOSHPSA-N 0 1 312.385 1.709 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000262241301 407771746 /nfs/dbraw/zinc/77/17/46/407771746.db2.gz HTAWWKKIWFKYLU-FZMZJTMJSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@H](N)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000262241301 407771752 /nfs/dbraw/zinc/77/17/52/407771752.db2.gz HTAWWKKIWFKYLU-FZMZJTMJSA-N 0 1 302.378 1.509 10 0 DDAEMN COC[C@H](N)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC000262304444 407790298 /nfs/dbraw/zinc/79/02/98/407790298.db2.gz OIDTWYKRYHJFLH-KRWDZBQOSA-N 0 1 314.385 1.952 10 0 DDAEMN CC[C@H](O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 ZINC000153309788 407797981 /nfs/dbraw/zinc/79/79/81/407797981.db2.gz KGAZIUHGJPNHPK-AWEZNQCLSA-N 0 1 308.426 1.404 10 0 DDAEMN COC[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000262588122 407875743 /nfs/dbraw/zinc/87/57/43/407875743.db2.gz VTJPZYJGUVIFDZ-OAHLLOKOSA-N 0 1 319.405 1.661 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000262593371 407877133 /nfs/dbraw/zinc/87/71/33/407877133.db2.gz WQGVQNMWEORZFU-ZDUSSCGKSA-N 0 1 307.394 1.293 10 0 DDAEMN Cc1nc([C@@H]2CN(Cc3noc4c3CCCC4)CCO2)n[nH]1 ZINC000173657833 407893927 /nfs/dbraw/zinc/89/39/27/407893927.db2.gz JBIYWDCPXYNPAL-AWEZNQCLSA-N 0 1 303.366 1.553 10 0 DDAEMN O=C(CN1CC[C@H](N2CCOCC2)C1)N(C1CC1)C1CCCC1 ZINC000173931859 407905584 /nfs/dbraw/zinc/90/55/84/407905584.db2.gz CVNJIROAIMTTDM-KRWDZBQOSA-N 0 1 321.465 1.327 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000262858649 407958704 /nfs/dbraw/zinc/95/87/04/407958704.db2.gz YRRGZDJXJWRKCK-UHFFFAOYSA-N 0 1 324.808 1.936 10 0 DDAEMN CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CCN1C[C@@H](C)O ZINC000174622835 407970877 /nfs/dbraw/zinc/97/08/77/407970877.db2.gz JIQXHXCSYCZRBB-OCCSQVGLSA-N 0 1 324.425 1.004 10 0 DDAEMN CC[C@H](O)CN1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000174096491 407914795 /nfs/dbraw/zinc/91/47/95/407914795.db2.gz IKNXQISMGXYUFU-HOTGVXAUSA-N 0 1 313.486 1.409 10 0 DDAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)CC[C@@H]2CCCO2)C1 ZINC000262755586 407915973 /nfs/dbraw/zinc/91/59/73/407915973.db2.gz YVSZTFBYPZUMDL-NRXISQOPSA-N 0 1 324.421 1.389 10 0 DDAEMN COCCOc1ccccc1CN1CCC[C@H](NC(C)=O)C1 ZINC000153914377 407929716 /nfs/dbraw/zinc/92/97/16/407929716.db2.gz IHQWPQKMADQBEQ-INIZCTEOSA-N 0 1 306.406 1.812 10 0 DDAEMN COc1cccc(NC(=O)CC[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000263184278 408050291 /nfs/dbraw/zinc/05/02/91/408050291.db2.gz URFMAXXOZDKRNN-LLVKDONJSA-N 0 1 306.362 1.961 10 0 DDAEMN CCCCc1nc(CN2CCC([N@@H+](CC)CC(=O)[O-])CC2)no1 ZINC000263013124 408000381 /nfs/dbraw/zinc/00/03/81/408000381.db2.gz YYKIOOFIXNRIII-UHFFFAOYSA-N 0 1 324.425 1.783 10 0 DDAEMN CN(C)[C@H]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000189588118 408060144 /nfs/dbraw/zinc/06/01/44/408060144.db2.gz RHAAAHYLAIXQJZ-HNNXBMFYSA-N 0 1 324.446 1.130 10 0 DDAEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccccn3)C2=O)n(C)n1 ZINC000182339425 408130819 /nfs/dbraw/zinc/13/08/19/408130819.db2.gz WABHQOXAZJNSHR-HIFRSBDPSA-N 0 1 313.405 1.970 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)CSCC(F)(F)F)CCO2)n[nH]1 ZINC000120518263 408131812 /nfs/dbraw/zinc/13/18/12/408131812.db2.gz DSIPDOMNWTZDEZ-MRVPVSSYSA-N 0 1 324.328 1.309 10 0 DDAEMN CCNC(=O)NC(=O)CN(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121135734 408157287 /nfs/dbraw/zinc/15/72/87/408157287.db2.gz CKBQZSLFHSOTPJ-STQMWFEESA-N 0 1 311.426 1.502 10 0 DDAEMN O=C(c1ccccc1-n1ccnn1)N1CCN2CCCC[C@@H]2C1 ZINC000182444968 408162535 /nfs/dbraw/zinc/16/25/35/408162535.db2.gz NUJLREDOVNRICX-CQSZACIVSA-N 0 1 311.389 1.578 10 0 DDAEMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@H]1CNC(=O)C1 ZINC000138574869 408166093 /nfs/dbraw/zinc/16/60/93/408166093.db2.gz FXPMAHFPVRWAAC-CYBMUJFWSA-N 0 1 319.430 1.310 10 0 DDAEMN CCC[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(=O)[O-] ZINC000263572215 408177344 /nfs/dbraw/zinc/17/73/44/408177344.db2.gz KPZJBKGJXTYEBN-LSDHHAIUSA-N 0 1 321.421 1.248 10 0 DDAEMN C[C@H](NCC(=O)NCCCN1CCCC1=O)c1cccs1 ZINC000182652492 408215196 /nfs/dbraw/zinc/21/51/96/408215196.db2.gz VQIWBDRNAZMVDQ-LBPRGKRZSA-N 0 1 309.435 1.527 10 0 DDAEMN C[C@H](NC(=O)N1CCN2CCCC[C@H]2C1)C(=O)N1CCCCC1 ZINC000153428578 162140774 /nfs/dbraw/zinc/14/07/74/162140774.db2.gz AFZRQCKYZLHVGB-GJZGRUSLSA-N 0 1 322.453 1.267 10 0 DDAEMN CCOCCN1CCN(Cc2nnc(CC)n2C)C[C@H]1CC ZINC000171574621 162225571 /nfs/dbraw/zinc/22/55/71/162225571.db2.gz RETNAEXTTPDIFN-CQSZACIVSA-N 0 1 309.458 1.310 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCc1cscn1 ZINC000171976955 162250572 /nfs/dbraw/zinc/25/05/72/162250572.db2.gz UWSWCSXNNJIBJA-OAHLLOKOSA-N 0 1 303.431 1.975 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)C=Cc3cccc(F)c3)CCO2)n[nH]1 ZINC000173523381 162345849 /nfs/dbraw/zinc/34/58/49/162345849.db2.gz PFSWAAFQBFYDJO-GJBLVYBDSA-N 0 1 316.336 1.866 10 0 DDAEMN COc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1F ZINC000173669373 162356591 /nfs/dbraw/zinc/35/65/91/162356591.db2.gz CLOPNTZZVRFFEI-CQSZACIVSA-N 0 1 306.341 1.834 10 0 DDAEMN Cc1nc([C@H]2CN(CCOc3ccccc3C)CCO2)n[nH]1 ZINC000173760863 162361738 /nfs/dbraw/zinc/36/17/38/162361738.db2.gz GGVORBJYFHKIFM-OAHLLOKOSA-N 0 1 302.378 1.874 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(C)ccc3O)CCO2)n[nH]1 ZINC000173755367 162362282 /nfs/dbraw/zinc/36/22/82/162362282.db2.gz AGCYFBVRDMMLFQ-ZDUSSCGKSA-N 0 1 302.334 1.341 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CCN1CCOC ZINC000246994731 408381680 /nfs/dbraw/zinc/38/16/80/408381680.db2.gz BDKFAADFWFCRNH-CVEARBPZSA-N 0 1 311.470 1.288 10 0 DDAEMN C[C@H]1CN([C@H](CNC(=O)CN(C)C)c2cccs2)CCO1 ZINC000247065580 408399859 /nfs/dbraw/zinc/39/98/59/408399859.db2.gz UQCWJLGUJHNGQG-QWHCGFSZSA-N 0 1 311.451 1.188 10 0 DDAEMN CC[C@H]1CN(CC(=O)NCCC(C)(C)C)CCN1C[C@H](C)O ZINC000247101978 408409829 /nfs/dbraw/zinc/40/98/29/408409829.db2.gz IGURRSQUWQELKQ-GJZGRUSLSA-N 0 1 313.486 1.316 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000247212963 408429500 /nfs/dbraw/zinc/42/95/00/408429500.db2.gz PYSLXTLFYRPHMD-LSDHHAIUSA-N 0 1 307.442 1.949 10 0 DDAEMN CC(C)N(C(=O)[C@H](C)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000247212963 408429506 /nfs/dbraw/zinc/42/95/06/408429506.db2.gz PYSLXTLFYRPHMD-LSDHHAIUSA-N 0 1 307.442 1.949 10 0 DDAEMN COC[C@@H](N)C(=O)N(C)Cc1cccc(Br)c1 ZINC000159782586 408431670 /nfs/dbraw/zinc/43/16/70/408431670.db2.gz MRKREQZJEMERCV-LLVKDONJSA-N 0 1 301.184 1.381 10 0 DDAEMN C[C@@H](NC(=O)CCc1nc[nH]n1)c1cccc(-n2ccnc2)c1 ZINC000176876131 408465202 /nfs/dbraw/zinc/46/52/02/408465202.db2.gz ILJZZFNCPMHTTB-GFCCVEGCSA-N 0 1 310.361 1.800 10 0 DDAEMN CCOC(=O)[C@H](CC(C)C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000248414590 408563807 /nfs/dbraw/zinc/56/38/07/408563807.db2.gz HBVFYPNWWHJKJD-ZNMIVQPWSA-N 0 1 300.443 1.351 10 0 DDAEMN CC(C)CCOCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248694285 408618645 /nfs/dbraw/zinc/61/86/45/408618645.db2.gz YLFZVFFHLDEWMS-CABCVRRESA-N 0 1 315.458 1.146 10 0 DDAEMN CC(C)CCOCCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248694285 408618650 /nfs/dbraw/zinc/61/86/50/408618650.db2.gz YLFZVFFHLDEWMS-CABCVRRESA-N 0 1 315.458 1.146 10 0 DDAEMN CCN(C)c1ccc(CN2CCN(CCOC)[C@@H](C)C2)cn1 ZINC000248834190 408644781 /nfs/dbraw/zinc/64/47/81/408644781.db2.gz JEAYLVMFCLHYMD-HNNXBMFYSA-N 0 1 306.454 1.690 10 0 DDAEMN CC[C@H](C(=O)OC(C)(C)C)N1CCN(CCOC)[C@@H](C)C1 ZINC000248848094 408646099 /nfs/dbraw/zinc/64/60/99/408646099.db2.gz NRQXPCSOSAFLIN-UONOGXRCSA-N 0 1 300.443 1.759 10 0 DDAEMN O=C(CN1CCN2CCCC[C@@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000177753184 408701361 /nfs/dbraw/zinc/70/13/61/408701361.db2.gz FWJIDXYBZMMFLN-ZACQAIPSSA-N 0 1 321.465 1.327 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CC[C@H](Oc2cccnc2)C1 ZINC000163667203 408785098 /nfs/dbraw/zinc/78/50/98/408785098.db2.gz HQTKNJOZIQITID-LBPRGKRZSA-N 0 1 309.329 1.646 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2cccc(C[S@@](C)=O)c2)C1 ZINC000249612438 408750001 /nfs/dbraw/zinc/75/00/01/408750001.db2.gz QHSVDOTUXJJLIX-YCRPNKLZSA-N 0 1 308.447 1.779 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)OCC(F)(F)F)CCO2)n[nH]1 ZINC000178013153 408756775 /nfs/dbraw/zinc/75/67/75/408756775.db2.gz AWJXBLKMRGFCKL-ZETCQYMHSA-N 0 1 308.260 1.439 10 0 DDAEMN CCc1cc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000249738846 408759720 /nfs/dbraw/zinc/75/97/20/408759720.db2.gz HGXCHYAAAQRJGU-BPNCWPANSA-N 0 1 305.378 1.918 10 0 DDAEMN COc1ccc(OC)c(CC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000195080996 163306064 /nfs/dbraw/zinc/30/60/64/163306064.db2.gz QNXDLLKQOYUYFZ-HNNXBMFYSA-N 0 1 318.417 1.943 10 0 DDAEMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cnn(C)c2)C1 ZINC000284460191 409342767 /nfs/dbraw/zinc/34/27/67/409342767.db2.gz CMSGEUZHLFPHOD-OLZOCXBDSA-N 0 1 302.382 1.378 10 0 DDAEMN Cc1noc(C)c1C[N@@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285464727 409454410 /nfs/dbraw/zinc/45/44/10/409454410.db2.gz KNMBJTRDOCGEJL-HNNXBMFYSA-N 0 1 305.382 1.557 10 0 DDAEMN Cc1noc(C)c1CN1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285464727 409454412 /nfs/dbraw/zinc/45/44/12/409454412.db2.gz KNMBJTRDOCGEJL-HNNXBMFYSA-N 0 1 305.382 1.557 10 0 DDAEMN CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(CO)o3)C2)nn1 ZINC000285595948 409501102 /nfs/dbraw/zinc/50/11/02/409501102.db2.gz UIKHPCCNWIEYOE-INIZCTEOSA-N 0 1 320.393 1.428 10 0 DDAEMN C[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000313304809 409801049 /nfs/dbraw/zinc/80/10/49/409801049.db2.gz HPHXRTXOIOLEBB-GXFFZTMASA-N 0 1 318.826 1.309 10 0 DDAEMN COc1ccccc1CN(C(=O)[C@@H]1C[C@H](OC)CN1C)C1CC1 ZINC000343938247 410827945 /nfs/dbraw/zinc/82/79/45/410827945.db2.gz PJZDGSCEFCFNOI-HOTGVXAUSA-N 0 1 318.417 1.905 10 0 DDAEMN CNC(=O)CN1CCC(CN(C)c2nc3ccccc3[nH]2)CC1 ZINC000301879734 410819453 /nfs/dbraw/zinc/81/94/53/410819453.db2.gz LMIHJBUNBGKOAF-UHFFFAOYSA-N 0 1 315.421 1.457 10 0 DDAEMN CCN1CCC[C@H](NC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000194646627 418546916 /nfs/dbraw/zinc/54/69/16/418546916.db2.gz QHSVDOTUXJJLIX-BTYIYWSLSA-N 0 1 308.447 1.779 10 0 DDAEMN CCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630653437 422242511 /nfs/dbraw/zinc/24/25/11/422242511.db2.gz DCNIAEUWQHEKJM-LSDHHAIUSA-N 0 1 304.390 1.973 10 0 DDAEMN CCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630653437 422242513 /nfs/dbraw/zinc/24/25/13/422242513.db2.gz DCNIAEUWQHEKJM-LSDHHAIUSA-N 0 1 304.390 1.973 10 0 DDAEMN NC(=O)C[C@@]1(O)CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000643746197 423308036 /nfs/dbraw/zinc/30/80/36/423308036.db2.gz FSQHPDCCOWQGAY-KRWDZBQOSA-N 0 1 320.389 1.050 10 0 DDAEMN CCOCCN1CCN([C@H](CC)C(=O)OCC)C[C@H]1CC ZINC000247456061 282053706 /nfs/dbraw/zinc/05/37/06/282053706.db2.gz HVYVJWWKIHQWCL-HUUCEWRRSA-N 0 1 300.443 1.761 10 0 DDAEMN Cc1nnc([C@H]2CCCCN2C(=O)CN(C)[C@@H]2CCSC2)[nH]1 ZINC000328693074 293382691 /nfs/dbraw/zinc/38/26/91/293382691.db2.gz RYBXVNWJININHJ-CHWSQXEVSA-N 0 1 323.466 1.604 10 0 DDAEMN CCOCCN1CCN(C(=O)NC[C@@H]2CCCO2)C[C@H]1CC ZINC000172113174 298242296 /nfs/dbraw/zinc/24/22/96/298242296.db2.gz LTOWTOCLMRXQHF-CABCVRRESA-N 0 1 313.442 1.308 10 0 DDAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182878313 300316028 /nfs/dbraw/zinc/31/60/28/300316028.db2.gz ICKDCMLVTXKRSC-NWDGAFQWSA-N 0 1 324.402 1.273 10 0 DDAEMN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(Br)cn1 ZINC000562311569 307933831 /nfs/dbraw/zinc/93/38/31/307933831.db2.gz OURFMFPBOYJKKW-CMPLNLGQSA-N 0 1 314.227 1.825 10 0 DDAEMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCCC(=O)[O-] ZINC000309749557 484379913 /nfs/dbraw/zinc/37/99/13/484379913.db2.gz VPLDFWXKTMCWGD-ZDUSSCGKSA-N 0 1 307.394 1.671 10 0 DDAEMN CCOCCN1CCN(Cc2ncc(Cl)n2C)C[C@@H]1C ZINC000105834864 696625119 /nfs/dbraw/zinc/62/51/19/696625119.db2.gz SYDCLPZETVYVPO-LBPRGKRZSA-N 0 1 300.834 1.616 10 0 DDAEMN CCOCC[N@H+]1CCN(Cc2ncc(Cl)n2C)C[C@@H]1C ZINC000105834864 696625117 /nfs/dbraw/zinc/62/51/17/696625117.db2.gz SYDCLPZETVYVPO-LBPRGKRZSA-N 0 1 300.834 1.616 10 0 DDAEMN O=C(N[C@@H]1CN2CCC1CC2)C1(c2ccccc2)CCOCC1 ZINC000222574291 697757566 /nfs/dbraw/zinc/75/75/66/697757566.db2.gz WZQCXFDLQVTFDF-QGZVFWFLSA-N 0 1 314.429 1.945 10 0 DDAEMN CCCCC[C@H](C)NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246309488 698347598 /nfs/dbraw/zinc/34/75/98/698347598.db2.gz AGHYPNRUUOYZLJ-HRCADAONSA-N 0 1 313.486 1.458 10 0 DDAEMN CC[C@@H]1CN(CN2C[C@@H](C(C)C)CC2=O)CCN1CCOC ZINC000246920654 698357624 /nfs/dbraw/zinc/35/76/24/698357624.db2.gz BGMVXKDMJVAZBT-JKSUJKDBSA-N 0 1 311.470 1.491 10 0 DDAEMN CC[C@H]1CN(C(=O)COC2CCCCC2)CCN1C[C@H](C)O ZINC000247016005 698359601 /nfs/dbraw/zinc/35/96/01/698359601.db2.gz WNXISWXGGGAPHN-GJZGRUSLSA-N 0 1 312.454 1.639 10 0 DDAEMN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000262020666 698451074 /nfs/dbraw/zinc/45/10/74/698451074.db2.gz NCSHYUCZNGSBPO-KCJUWKMLSA-N 0 1 306.790 1.885 10 0 DDAEMN COC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000262354769 698466047 /nfs/dbraw/zinc/46/60/47/698466047.db2.gz UWCHQFBYSAGQNK-JTQLQIEISA-N 0 1 306.284 1.848 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2ccccc2)C1 ZINC000262940936 698484974 /nfs/dbraw/zinc/48/49/74/698484974.db2.gz HJRKNRACEHEENR-UHFFFAOYSA-N 0 1 319.405 1.466 10 0 DDAEMN CCc1ccccc1C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263046568 698489296 /nfs/dbraw/zinc/48/92/96/698489296.db2.gz FBUFOWXSHSJUAL-UHFFFAOYSA-N 0 1 304.390 1.916 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@](C)(F)C2)C1 ZINC000263442048 698507182 /nfs/dbraw/zinc/50/71/82/698507182.db2.gz DTXNEXVQTVGIPU-KOHJWAIASA-N 0 1 315.389 1.458 10 0 DDAEMN O=C(c1cscc1C(F)F)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000717224831 699286412 /nfs/dbraw/zinc/28/64/12/699286412.db2.gz PAOGBCNLGHJCLY-GHMZBOCLSA-N 0 1 302.346 1.889 10 0 DDAEMN C[C@@H](C(=O)NC(C)(C)c1cn[nH]n1)N(C)Cc1ccccc1 ZINC000898149128 708556510 /nfs/dbraw/zinc/55/65/10/708556510.db2.gz COXIYQSIANSURK-LBPRGKRZSA-N 0 1 301.394 1.677 10 0 DDAEMN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912903459 713118955 /nfs/dbraw/zinc/11/89/55/713118955.db2.gz QLUATQAWKOIMQQ-RBSFLKMASA-N 0 1 318.421 1.194 10 0 DDAEMN O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000074731540 185014274 /nfs/dbraw/zinc/01/42/74/185014274.db2.gz DOBUGIMTLPJXBL-UHFFFAOYSA-N 0 1 313.235 1.263 10 0 DDAEMN CCc1ccc([C@@H](CS(=O)(=O)CCC(=O)OC)NC)cc1 ZINC000081975381 192347415 /nfs/dbraw/zinc/34/74/15/192347415.db2.gz ACJFNKVFKBZJBK-CQSZACIVSA-N 0 1 313.419 1.487 10 0 DDAEMN COc1cc(Cl)ccc1S(=O)(=O)NCCc1cnc[nH]1 ZINC000087545625 185227830 /nfs/dbraw/zinc/22/78/30/185227830.db2.gz WTNTYCCNNNCCQR-UHFFFAOYSA-N 0 1 315.782 1.593 10 0 DDAEMN CCN[C@H](CS(=O)(=O)CC(=O)OC)c1cc(C)ccc1C ZINC000081976859 192347741 /nfs/dbraw/zinc/34/77/41/192347741.db2.gz SZUVEGPFIVRFRC-CQSZACIVSA-N 0 1 313.419 1.542 10 0 DDAEMN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182187399 539239119 /nfs/dbraw/zinc/23/91/19/539239119.db2.gz SWUWXWBFRGXDBA-LBPRGKRZSA-N 0 1 324.446 1.609 10 0 DDAEMN O=C(c1cccc2nn[nH]c21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000188514591 539251198 /nfs/dbraw/zinc/25/11/98/539251198.db2.gz HUCKAWHVRVQMNQ-BDJLRTHQSA-N 0 1 300.362 1.725 10 0 DDAEMN CCNCc1ccc(S(=O)(=O)N2CC[C@H](COC)C2)o1 ZINC000088551385 185257334 /nfs/dbraw/zinc/25/73/34/185257334.db2.gz MTIJMQBRWCDPNA-NSHDSACASA-N 0 1 302.396 1.046 10 0 DDAEMN CNCc1ncnn1Cc1ccc(OC)c(Br)c1 ZINC000088628707 185260202 /nfs/dbraw/zinc/26/02/02/185260202.db2.gz XJVYUOJLCKJGSX-UHFFFAOYSA-N 0 1 311.183 1.817 10 0 DDAEMN CCOC(=O)[C@H]1CNCCN1c1ccc(Br)cn1 ZINC000088673098 185262211 /nfs/dbraw/zinc/26/22/11/185262211.db2.gz PZGJLFMYPQRDPM-SNVBAGLBSA-N 0 1 314.183 1.185 10 0 DDAEMN CCC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1)[NH+](C)C ZINC000252799230 282211738 /nfs/dbraw/zinc/21/17/38/282211738.db2.gz AGYLHINKBKLTBI-HOTGVXAUSA-N 0 1 313.486 1.676 10 0 DDAEMN COc1ccc([C@H](N)[C@H](C)S(=O)(=O)C2CCOCC2)cc1 ZINC000081990165 192351254 /nfs/dbraw/zinc/35/12/54/192351254.db2.gz MVURSHUVWTXBOM-XHDPSFHLSA-N 0 1 313.419 1.677 10 0 DDAEMN CNCc1cn(CC(=O)Nc2cccc(Br)c2)nn1 ZINC000090295394 185289801 /nfs/dbraw/zinc/28/98/01/185289801.db2.gz ZYDFOQJDFIKYKX-UHFFFAOYSA-N 0 1 324.182 1.399 10 0 DDAEMN CC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092444094 185318813 /nfs/dbraw/zinc/31/88/13/185318813.db2.gz CANPMOSDSALULO-VIFPVBQESA-N 0 1 311.304 1.129 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)CCN1C[C@H](C)O ZINC000255311513 282246422 /nfs/dbraw/zinc/24/64/22/282246422.db2.gz AVIDJGOLVBINFR-WAXTVWTQSA-N 0 1 321.396 1.538 10 0 DDAEMN C[C@H](O)CN1CCN(C(=O)/C=C\c2cncc(F)c2)C[C@@H]1C ZINC000255765481 282278414 /nfs/dbraw/zinc/27/84/14/282278414.db2.gz BBUUFTSFXWOAJY-LDIIPZEWSA-N 0 1 307.369 1.147 10 0 DDAEMN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2cccnc2)C1 ZINC000616656902 362771387 /nfs/dbraw/zinc/77/13/87/362771387.db2.gz UWKAJGPHDHOJKO-CQSZACIVSA-N 0 1 306.410 1.553 10 0 DDAEMN C[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@@H]1[NH3+] ZINC000070145380 190862882 /nfs/dbraw/zinc/86/28/82/190862882.db2.gz FFMTXNBTCGGVNN-KWQFWETISA-N 0 1 313.195 1.964 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(SC)o3)CCO2)n[nH]1 ZINC000173572088 198229216 /nfs/dbraw/zinc/22/92/16/198229216.db2.gz MDIYNPMIKMWHGW-JTQLQIEISA-N 0 1 322.390 1.896 10 0 DDAEMN CC(C)c1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n[nH]1 ZINC000173887325 198264470 /nfs/dbraw/zinc/26/44/70/198264470.db2.gz PNPVQJUTNYKXMV-WFASDCNBSA-N 0 1 306.410 1.326 10 0 DDAEMN CC[C@H](O)CN1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174070824 198288552 /nfs/dbraw/zinc/28/85/52/198288552.db2.gz FCRNKLXNDUXVPJ-HOTGVXAUSA-N 0 1 312.841 1.762 10 0 DDAEMN CC[C@@H]1CN(C(=O)COc2ccccc2)CCN1C[C@@H](C)O ZINC000174618525 198361038 /nfs/dbraw/zinc/36/10/38/198361038.db2.gz OLNABMFJJDCDTP-HUUCEWRRSA-N 0 1 306.406 1.369 10 0 DDAEMN C[C@H](N)c1csc(NC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000080862641 192196358 /nfs/dbraw/zinc/19/63/58/192196358.db2.gz PMBLQGLDWDJWOV-UFBFGSQYSA-N 0 1 305.359 1.941 10 0 DDAEMN C[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)CCS1 ZINC000081682409 192312966 /nfs/dbraw/zinc/31/29/66/192312966.db2.gz VIBCHIISHZENFW-LURJTMIESA-N 0 1 307.491 1.883 10 0 DDAEMN CNc1ncc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000081695398 192313771 /nfs/dbraw/zinc/31/37/71/192313771.db2.gz UUPPNINHFRGSFR-VIFPVBQESA-N 0 1 318.830 1.101 10 0 DDAEMN CC1(C)CCC(CNC(=O)[C@H](N)CCS(C)(=O)=O)CC1 ZINC000236906176 202062586 /nfs/dbraw/zinc/06/25/86/202062586.db2.gz CBUJISDEVFPZPL-GFCCVEGCSA-N 0 1 304.456 1.081 10 0 DDAEMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000179471950 199041838 /nfs/dbraw/zinc/04/18/38/199041838.db2.gz XWBVZZBUWMUMHK-CQSZACIVSA-N 0 1 323.360 1.541 10 0 DDAEMN CO[C@]1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCOC1 ZINC000276636765 213015672 /nfs/dbraw/zinc/01/56/72/213015672.db2.gz VQHGBIAQNJHABM-SJLPKXTDSA-N 0 1 318.417 1.573 10 0 DDAEMN C[C@@H]1OCCC[C@@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000188056567 200187267 /nfs/dbraw/zinc/18/72/67/200187267.db2.gz QTJCQMBUKRFWMR-YOEHRIQHSA-N 0 1 302.418 1.976 10 0 DDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000189227795 200367575 /nfs/dbraw/zinc/36/75/75/200367575.db2.gz NYPPOJDCSCFDGS-IXDOHACOSA-N 0 1 304.434 1.827 10 0 DDAEMN CCCCOC[C@@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000193356794 201038204 /nfs/dbraw/zinc/03/82/04/201038204.db2.gz XRGXQTMLGRILFW-HNNXBMFYSA-N 0 1 308.422 1.692 10 0 DDAEMN CCCN[C@](CSC[C@H](C)CO)(C(N)=O)c1ccccc1 ZINC000091258930 193028116 /nfs/dbraw/zinc/02/81/16/193028116.db2.gz AENUHZFJBMMTIC-CJNGLKHVSA-N 0 1 310.463 1.728 10 0 DDAEMN C[C@@H](C(=O)[O-])N1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092266790 193183028 /nfs/dbraw/zinc/18/30/28/193183028.db2.gz LBMSYDSNBGNSBF-JSGCOSHPSA-N 0 1 306.431 1.794 10 0 DDAEMN O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000093977336 193333851 /nfs/dbraw/zinc/33/38/51/193333851.db2.gz BZNSHTRUYQIFGB-PGLGOXFNSA-N 0 1 306.387 1.812 10 0 DDAEMN CNCc1nc(C)ccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634571 193386424 /nfs/dbraw/zinc/38/64/24/193386424.db2.gz DASYZGAZMGRYAE-STQMWFEESA-N 0 1 312.435 1.844 10 0 DDAEMN CC(C)(C)NCc1ncnn1[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094644068 193389659 /nfs/dbraw/zinc/38/96/59/193389659.db2.gz SHFCCXYRXKVXPL-NWDGAFQWSA-N 0 1 314.455 1.695 10 0 DDAEMN CC1(C)CCSC[C@@H]1[N@@H+](CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000094485618 193372461 /nfs/dbraw/zinc/37/24/61/193372461.db2.gz YMJRTRZJZWJXCK-MNOVXSKESA-N 0 1 321.464 1.092 10 0 DDAEMN CNc1c(C(=O)NCc2nn[nH]n2)cccc1C(F)(F)F ZINC000094598808 193383283 /nfs/dbraw/zinc/38/32/83/193383283.db2.gz PXLCDOUPBCMKIH-UHFFFAOYSA-N 0 1 300.244 1.190 10 0 DDAEMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 ZINC000041068406 183162205 /nfs/dbraw/zinc/16/22/05/183162205.db2.gz NLKHMPWKLXUZSO-UHFFFAOYSA-N 0 1 317.480 1.825 10 0 DDAEMN Cn1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)nn1 ZINC000041511774 183195645 /nfs/dbraw/zinc/19/56/45/183195645.db2.gz PHSBLFUOJCBAML-HNNXBMFYSA-N 0 1 317.368 1.521 10 0 DDAEMN CC(C)C[C@@H](NC(=O)NCCCC[N@@H+](C)C(C)C)C(=O)[O-] ZINC000041682562 183217283 /nfs/dbraw/zinc/21/72/83/183217283.db2.gz VOYAILJQEYMGRZ-CYBMUJFWSA-N 0 1 301.431 1.905 10 0 DDAEMN O=C(Nc1cccc(Cl)c1-n1cccn1)[C@H]1CNCCO1 ZINC000043709406 183382475 /nfs/dbraw/zinc/38/24/75/183382475.db2.gz WLRVZTYKZAKZOO-GFCCVEGCSA-N 0 1 306.753 1.453 10 0 DDAEMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CNCCO1 ZINC000043800921 183386711 /nfs/dbraw/zinc/38/67/11/183386711.db2.gz BISWROGKCRTAHX-NSHDSACASA-N 0 1 312.391 1.414 10 0 DDAEMN C[C@@H](O)CN1CCN(CC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000105821593 194138604 /nfs/dbraw/zinc/13/86/04/194138604.db2.gz HGSBNCWJBUIAAY-LSDHHAIUSA-N 0 1 305.422 1.036 10 0 DDAEMN CCN(CC)C(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805383 194133998 /nfs/dbraw/zinc/13/39/98/194133998.db2.gz HJNMVFGQGOSOEG-ZDUSSCGKSA-N 0 1 305.426 1.610 10 0 DDAEMN O[C@@H](CN1CCN(CCn2cccn2)CC1)c1ccccc1 ZINC000105819002 194135507 /nfs/dbraw/zinc/13/55/07/194135507.db2.gz INJZAYRNEVTYGR-KRWDZBQOSA-N 0 1 300.406 1.234 10 0 DDAEMN CC[C@@H]1CN(CC(=O)Nc2ccccc2)CCN1CCOC ZINC000105836088 194142488 /nfs/dbraw/zinc/14/24/88/194142488.db2.gz MTNMKFHHBACUSN-MRXNPFEDSA-N 0 1 305.422 1.668 10 0 DDAEMN CC[C@H]1CN([C@@H](C)C(=O)NC2CCCC2)CCN1CCOC ZINC000105835813 194143318 /nfs/dbraw/zinc/14/33/18/194143318.db2.gz IPOHTWKGCFIJET-HOCLYGCPSA-N 0 1 311.470 1.476 10 0 DDAEMN CC[C@H](C(N)=S)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000109460793 194265794 /nfs/dbraw/zinc/26/57/94/194265794.db2.gz SCLFJBYNLPEXIY-GFCCVEGCSA-N 0 1 307.419 1.215 10 0 DDAEMN Cc1ccc(CNC(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)s1 ZINC000061146350 184163258 /nfs/dbraw/zinc/16/32/58/184163258.db2.gz BTOHGNOXLFFLDD-UHFFFAOYSA-N 0 1 311.407 1.358 10 0 DDAEMN CC[N@H+](CC(=O)Nc1cc(F)ccc1F)C[C@@H](C)C(=O)[O-] ZINC000061219441 184166144 /nfs/dbraw/zinc/16/61/44/184166144.db2.gz IGHFJDYXGRPFPE-SECBINFHSA-N 0 1 300.305 1.946 10 0 DDAEMN CC[N@H+](CC(=O)Nc1ccc(F)cc1F)C[C@@H](C)C(=O)[O-] ZINC000061221321 184166314 /nfs/dbraw/zinc/16/63/14/184166314.db2.gz POLOLCNLELEJFF-SECBINFHSA-N 0 1 300.305 1.946 10 0 DDAEMN COCCNCc1c(Cl)cccc1N1CCC[C@@H]1C(N)=O ZINC000062735000 184251154 /nfs/dbraw/zinc/25/11/54/184251154.db2.gz NVGFIANFHYFCME-CQSZACIVSA-N 0 1 311.813 1.530 10 0 DDAEMN CCC1(C(=O)[O-])CC[NH+](CC(=O)Nc2nc(C)cs2)CC1 ZINC000062846537 184256249 /nfs/dbraw/zinc/25/62/49/184256249.db2.gz NXRDOOQVMZMVJN-UHFFFAOYSA-N 0 1 311.407 1.967 10 0 DDAEMN CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062876527 184258185 /nfs/dbraw/zinc/25/81/85/184258185.db2.gz UPADTILBVYHKPV-OAHLLOKOSA-N 0 1 310.419 1.893 10 0 DDAEMN CC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000062937474 184261054 /nfs/dbraw/zinc/26/10/54/184261054.db2.gz MATHNWWXRNFMEN-CQSZACIVSA-N 0 1 307.375 1.443 10 0 DDAEMN Nc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)ccc1F ZINC000062975713 184263464 /nfs/dbraw/zinc/26/34/64/184263464.db2.gz DHGLTCUIUCMYJL-NSHDSACASA-N 0 1 313.398 1.267 10 0 DDAEMN COCCNCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000066224628 184398108 /nfs/dbraw/zinc/39/81/08/184398108.db2.gz LGXPBOKIZHBQAB-UHFFFAOYSA-N 0 1 317.345 1.706 10 0 DDAEMN O=C([C@@H]1CN(Cc2ccccn2)C[C@@H]2OCC[C@@H]21)N1CCCC1 ZINC000253615493 257104686 /nfs/dbraw/zinc/10/46/86/257104686.db2.gz OCEBMHAIAYLOBF-ZACQAIPSSA-N 0 1 315.417 1.541 10 0 DDAEMN CCN1CC[C@@H](NC(=O)c2ncsc2Br)C1 ZINC000569941290 304386440 /nfs/dbraw/zinc/38/64/40/304386440.db2.gz RGWOLYIZLFVFJV-SSDOTTSWSA-N 0 1 304.213 1.730 10 0 DDAEMN O=C(c1cc(F)c(F)c([O-])c1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000186052697 407568230 /nfs/dbraw/zinc/56/82/30/407568230.db2.gz CPLOYGGODCRXNY-MRVPVSSYSA-N 0 1 300.280 1.730 10 0 DDAEMN COC[C@H](C)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000103456334 407340040 /nfs/dbraw/zinc/34/00/40/407340040.db2.gz NINHFNJAQDDIEO-JTQLQIEISA-N 0 1 304.350 1.379 10 0 DDAEMN COC[C@H](C)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000103456334 407340041 /nfs/dbraw/zinc/34/00/41/407340041.db2.gz NINHFNJAQDDIEO-JTQLQIEISA-N 0 1 304.350 1.379 10 0 DDAEMN O=C(c1ccc(F)cc1O)N1CCC[C@H](Cn2cncn2)C1 ZINC000123879629 407341594 /nfs/dbraw/zinc/34/15/94/407341594.db2.gz JAFMISOIOZPSDJ-NSHDSACASA-N 0 1 304.325 1.675 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000105836733 407355595 /nfs/dbraw/zinc/35/55/95/407355595.db2.gz YESMQCGPKUTSEJ-GOEBONIOSA-N 0 1 313.486 1.722 10 0 DDAEMN CCC(CC)NC(=O)[C@H](C)N1CCN(CCOC)[C@H](CC)C1 ZINC000105836733 407355597 /nfs/dbraw/zinc/35/55/97/407355597.db2.gz YESMQCGPKUTSEJ-GOEBONIOSA-N 0 1 313.486 1.722 10 0 DDAEMN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@@H]2c2cnn(C)c2)n[nH]1 ZINC000124552562 407362356 /nfs/dbraw/zinc/36/23/56/407362356.db2.gz UUUJPBTXUSOIQN-IAQYHMDHSA-N 0 1 316.409 1.929 10 0 DDAEMN COC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106915920 407366635 /nfs/dbraw/zinc/36/66/35/407366635.db2.gz CYFVIWBNNMNJSJ-HZPDHXFCSA-N 0 1 318.417 1.571 10 0 DDAEMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccon1)c1ccccc1 ZINC000185520408 407445500 /nfs/dbraw/zinc/44/55/00/407445500.db2.gz NMVHGDFMXNEQOT-GFCCVEGCSA-N 0 1 302.334 1.032 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCCC3=CCCC3)CCO2)n[nH]1 ZINC000152191919 407581175 /nfs/dbraw/zinc/58/11/75/407581175.db2.gz ASNKWBHTEKBLLI-ZDUSSCGKSA-N 0 1 319.409 1.950 10 0 DDAEMN O=C(c1ccc(-n2cnnc2)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000171279282 407650033 /nfs/dbraw/zinc/65/00/33/407650033.db2.gz QWSADPWSNSTKDK-MRXNPFEDSA-N 0 1 311.389 1.578 10 0 DDAEMN Cc1csc([C@H]2CN(c3ncnc4[nH]cnc43)CCO2)n1 ZINC000171363117 407670601 /nfs/dbraw/zinc/67/06/01/407670601.db2.gz XYADGIODZHFISF-SECBINFHSA-N 0 1 302.363 1.696 10 0 DDAEMN CCN(C)C(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000130348803 407681217 /nfs/dbraw/zinc/68/12/17/407681217.db2.gz WFGIRVXOKSOGTC-QGZVFWFLSA-N 0 1 319.449 1.206 10 0 DDAEMN CC[C@H](NC(=O)[C@@H](N)COC)c1nc(C(F)(F)F)cs1 ZINC000262214659 407765318 /nfs/dbraw/zinc/76/53/18/407765318.db2.gz FFIVLIBBRMIOFU-BQBZGAKWSA-N 0 1 311.329 1.703 10 0 DDAEMN CCCOc1ccc([C@@H](C)NC(=O)[C@H](N)COC)cc1OC ZINC000262222100 407770750 /nfs/dbraw/zinc/77/07/50/407770750.db2.gz FTBIYFXRTJAFDO-DGCLKSJQSA-N 0 1 310.394 1.635 10 0 DDAEMN CN(C)C[C@@H]1CN(C(=O)C(=O)c2ccc(Cl)cc2)CCO1 ZINC000116792734 407779858 /nfs/dbraw/zinc/77/98/58/407779858.db2.gz PUALKJDMLBIXGN-CYBMUJFWSA-N 0 1 310.781 1.312 10 0 DDAEMN COC[C@H](N)C(=O)NCCOc1ccccc1C(F)(F)F ZINC000262329305 407800102 /nfs/dbraw/zinc/80/01/02/407800102.db2.gz RKMJYJQUPMFZBM-JTQLQIEISA-N 0 1 306.284 1.174 10 0 DDAEMN CCOCCN1CCN(C(=O)NCc2ccnn2C)C[C@H]1CC ZINC000117033563 407806489 /nfs/dbraw/zinc/80/64/89/407806489.db2.gz KQFLLARWNARQLH-CQSZACIVSA-N 0 1 323.441 1.062 10 0 DDAEMN CC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)CCN1CCOC ZINC000117308553 407827754 /nfs/dbraw/zinc/82/77/54/407827754.db2.gz UUHWMUYFPGTREF-MRXNPFEDSA-N 0 1 320.433 1.807 10 0 DDAEMN CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1CCOC ZINC000117425748 407834706 /nfs/dbraw/zinc/83/47/06/407834706.db2.gz ADICMSQRRLMVMT-INIZCTEOSA-N 0 1 319.449 1.935 10 0 DDAEMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262452634 407839073 /nfs/dbraw/zinc/83/90/73/407839073.db2.gz GKSJOKCGZDCAFY-STQMWFEESA-N 0 1 313.442 1.161 10 0 DDAEMN CCCCc1noc(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)n1 ZINC000262510193 407853721 /nfs/dbraw/zinc/85/37/21/407853721.db2.gz JZLWJMYTZZZCCH-CYBMUJFWSA-N 0 1 324.425 1.783 10 0 DDAEMN Cc1nc([C@@H]2CN(C(=O)c3cnn(C(C)C)c3C)CCO2)n[nH]1 ZINC000180322475 407878545 /nfs/dbraw/zinc/87/85/45/407878545.db2.gz UYMGVKUJRGBFGV-ZDUSSCGKSA-N 0 1 318.381 1.413 10 0 DDAEMN CCN1CCO[C@@H](CNCc2cn3cc(Cl)ccc3n2)C1 ZINC000134605562 407912566 /nfs/dbraw/zinc/91/25/66/407912566.db2.gz JHAFZFFYTYKIRX-AWEZNQCLSA-N 0 1 308.813 1.798 10 0 DDAEMN CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262693858 407901211 /nfs/dbraw/zinc/90/12/11/407901211.db2.gz AWLZICCGYYGQBS-ZYUZMQFOSA-N 0 1 310.316 1.485 10 0 DDAEMN COc1c(C)cnc(CN2CC[C@H](N3CCOCC3)C2)c1C ZINC000173940703 407904512 /nfs/dbraw/zinc/90/45/12/407904512.db2.gz VUKDQKCNOKNSBM-HNNXBMFYSA-N 0 1 305.422 1.614 10 0 DDAEMN CCCCc1noc(CN2CCC([N@@H+](CC)CC(=O)[O-])CC2)n1 ZINC000262888215 407963687 /nfs/dbraw/zinc/96/36/87/407963687.db2.gz GNYDEXWCDPRUCT-UHFFFAOYSA-N 0 1 324.425 1.783 10 0 DDAEMN CC[C@@H](O)CN1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000174086043 407915004 /nfs/dbraw/zinc/91/50/04/407915004.db2.gz YCBJNJWBRIXPHH-DOMZBBRYSA-N 0 1 314.376 1.387 10 0 DDAEMN CCOc1cccc(C(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)c1 ZINC000262748656 407915202 /nfs/dbraw/zinc/91/52/02/407915202.db2.gz XRFCPCNQVLWSSF-UHFFFAOYSA-N 0 1 320.389 1.753 10 0 DDAEMN COCOc1ccc(OC)cc1CNC[C@@H]1CN(C)CCO1 ZINC000119265483 408027758 /nfs/dbraw/zinc/02/77/58/408027758.db2.gz AODWJOSZMQOCDR-OAHLLOKOSA-N 0 1 310.394 1.098 10 0 DDAEMN CCN(C[C@@H](O)COCc1ccccc1)C[C@H](O)C(F)(F)F ZINC000189504906 408038408 /nfs/dbraw/zinc/03/84/08/408038408.db2.gz ONOIULSFSDTQPF-KGLIPLIRSA-N 0 1 321.339 1.809 10 0 DDAEMN C[C@H](O)CN1CCN(Cc2c(Cl)nc3ccccn32)C[C@H]1C ZINC000245740569 408056023 /nfs/dbraw/zinc/05/60/23/408056023.db2.gz LRFACUFXNHUZQL-OLZOCXBDSA-N 0 1 322.840 1.875 10 0 DDAEMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cnn(C)c3)C2=O)n(C)n1 ZINC000182352177 408134441 /nfs/dbraw/zinc/13/44/41/408134441.db2.gz ODARCMLTHGTDPB-TZMCWYRMSA-N 0 1 316.409 1.308 10 0 DDAEMN CCc1nc([C@H]2CN(C(=O)CCc3ccoc3)CCO2)n[nH]1 ZINC000175448761 408134616 /nfs/dbraw/zinc/13/46/16/408134616.db2.gz GFVNSYFVRZIAMQ-GFCCVEGCSA-N 0 1 304.350 1.493 10 0 DDAEMN CCCn1cc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cn1 ZINC000263510302 408159703 /nfs/dbraw/zinc/15/97/03/408159703.db2.gz NFMZDRZUZUHICZ-UHFFFAOYSA-N 0 1 320.437 1.710 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc3c[nH]nc3c2)C1 ZINC000263537267 408167169 /nfs/dbraw/zinc/16/71/69/408167169.db2.gz ZZWVRLOEOSPBQD-UHFFFAOYSA-N 0 1 302.378 1.590 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000246191262 408169485 /nfs/dbraw/zinc/16/94/85/408169485.db2.gz OAWRDYCIBRAJFK-QMTHXVAHSA-N 0 1 318.389 1.972 10 0 DDAEMN O=C1[C@H](N2CCN3CCCC[C@@H]3C2)CCN1CC(F)(F)F ZINC000246270387 408198998 /nfs/dbraw/zinc/19/89/98/408198998.db2.gz ZUDCKFWMQLKVOI-VXGBXAGGSA-N 0 1 305.344 1.320 10 0 DDAEMN O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000246482676 408271231 /nfs/dbraw/zinc/27/12/31/408271231.db2.gz DHGZRKCFQWWQCE-DLBZAZTESA-N 0 1 300.406 1.821 10 0 DDAEMN CCCn1c(C)nnc1CN1CCN(CCOCC)[C@H](CC)C1 ZINC000157003658 408283947 /nfs/dbraw/zinc/28/39/47/408283947.db2.gz MPTSSGSJZQUWIO-MRXNPFEDSA-N 0 1 323.485 1.929 10 0 DDAEMN CN(CC(=O)N1CCN2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000170813862 162193976 /nfs/dbraw/zinc/19/39/76/162193976.db2.gz LSKYUJVJRNZTAF-CYBMUJFWSA-N 0 1 311.426 1.550 10 0 DDAEMN CCO[C@@H]1C[C@H](N(C)CC(=O)NC[C@H]2CCCO2)C12CCCC2 ZINC000246937145 408371543 /nfs/dbraw/zinc/37/15/43/408371543.db2.gz UAFVQNBDDFZGBI-OWCLPIDISA-N 0 1 324.465 1.951 10 0 DDAEMN Cc1noc(C)c1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246913032 408364404 /nfs/dbraw/zinc/36/44/04/408364404.db2.gz ILQNODRWQKAOKB-BXKDBHETSA-N 0 1 301.412 1.298 10 0 DDAEMN O[C@H](CN1CC[C@@H](N2CCOCC2)C1)c1ccc(F)cc1F ZINC000246925180 408367706 /nfs/dbraw/zinc/36/77/06/408367706.db2.gz JCTBGLISPTWZRS-CZUORRHYSA-N 0 1 312.360 1.405 10 0 DDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)n[nH]1 ZINC000173537758 162347728 /nfs/dbraw/zinc/34/77/28/162347728.db2.gz BGXBGBKPYWKSAZ-GFCCVEGCSA-N 0 1 306.753 1.980 10 0 DDAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000173886881 162372930 /nfs/dbraw/zinc/37/29/30/162372930.db2.gz TYENGAINZCPQSR-MFKMUULPSA-N 0 1 318.389 1.972 10 0 DDAEMN CCOCCN1CCN(CC(=O)N[C@H](C)C(C)C)C[C@@H]1CC ZINC000247161749 408418759 /nfs/dbraw/zinc/41/87/59/408418759.db2.gz MJLNHPNTJPVHCR-CVEARBPZSA-N 0 1 313.486 1.580 10 0 DDAEMN CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCN1CCOC ZINC000247249436 408439548 /nfs/dbraw/zinc/43/95/48/408439548.db2.gz XQUBZIYXURNRGL-ZBFHGGJFSA-N 0 1 318.417 1.732 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)c3oc(C)cc3C)CCO2)n[nH]1 ZINC000176948091 408481629 /nfs/dbraw/zinc/48/16/29/408481629.db2.gz QJJDEQAKFCYRBI-NSHDSACASA-N 0 1 304.350 1.791 10 0 DDAEMN O=S(=O)(c1cc(F)cc(F)c1)N1CCN2CCC[C@H]2C1 ZINC000247504538 408482912 /nfs/dbraw/zinc/48/29/12/408482912.db2.gz OITHQUPKKCQTOY-LBPRGKRZSA-N 0 1 302.346 1.434 10 0 DDAEMN Cn1ccc(N2CCC[C@@H](N3CCN4CCCC[C@@H]4C3)C2=O)n1 ZINC000177768648 408706326 /nfs/dbraw/zinc/70/63/26/408706326.db2.gz DTSRCZVPNRTFKK-HUUCEWRRSA-N 0 1 317.437 1.086 10 0 DDAEMN CCOCCCCNC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000184887219 408710742 /nfs/dbraw/zinc/71/07/42/408710742.db2.gz BBSDMNNXAOBRMD-HUUCEWRRSA-N 0 1 315.458 1.290 10 0 DDAEMN C[C@H](NC(=O)[C@H](N)CCS(C)(=O)=O)[C@@H](C)C1CCCCC1 ZINC000163726067 408789172 /nfs/dbraw/zinc/78/91/72/408789172.db2.gz XHKSGEWGFAIJEY-MBNYWOFBSA-N 0 1 318.483 1.470 10 0 DDAEMN CC[C@H]1CN(CC(=O)N2CCCC[C@H]2C)CCN1CCOC ZINC000252321500 408794255 /nfs/dbraw/zinc/79/42/55/408794255.db2.gz AQHMFYUKOGGHIJ-CVEARBPZSA-N 0 1 311.470 1.430 10 0 DDAEMN CCN(CC)[C@@H](C(=O)N1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189234581 163090500 /nfs/dbraw/zinc/09/05/00/163090500.db2.gz OWGFKGJFOOBTAP-GDBMZVCRSA-N 0 1 317.433 1.807 10 0 DDAEMN CCc1nc([C@@H]2CN(C(=O)NCC(C)(C)CC)CCO2)n[nH]1 ZINC000190772960 163158265 /nfs/dbraw/zinc/15/82/65/163158265.db2.gz YPWNUNDLBGSMOK-NSHDSACASA-N 0 1 309.414 1.886 10 0 DDAEMN CCOCCN1CCN([C@@H](C)c2nnnn2C2CC2)C[C@@H]1CC ZINC000192001939 163212059 /nfs/dbraw/zinc/21/20/59/163212059.db2.gz IYTHOOBBEKEJAT-KBPBESRZSA-N 0 1 322.457 1.502 10 0 DDAEMN CN(CC(=O)N[C@H]1COc2ccccc21)c1ncnc2[nH]cnc21 ZINC000195010850 163302909 /nfs/dbraw/zinc/30/29/09/163302909.db2.gz LHFBZPPOSISERY-NSHDSACASA-N 0 1 324.344 1.039 10 0 DDAEMN Cn1ccnc1[C@H]1CN(C[C@H](O)Cc2ccccc2)CCN1C ZINC000280176350 409264290 /nfs/dbraw/zinc/26/42/90/409264290.db2.gz SSYNMBNJQDXNIL-IAGOWNOFSA-N 0 1 314.433 1.312 10 0 DDAEMN Cc1nn(C)c(C)c1CN1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285529870 409479792 /nfs/dbraw/zinc/47/97/92/409479792.db2.gz PAXYHKJFVZRIHJ-INIZCTEOSA-N 0 1 318.425 1.303 10 0 DDAEMN CCc1nnc(CN2CCN(CCc3ccccc3)CC2)n1C ZINC000195044981 222189542 /nfs/dbraw/zinc/18/95/42/222189542.db2.gz MHWBZOZIDFZODC-UHFFFAOYSA-N 0 1 313.449 1.738 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000375477807 418646098 /nfs/dbraw/zinc/64/60/98/418646098.db2.gz GLPKQZLKZPDCKQ-KYOSRNDESA-N 0 1 306.410 1.620 10 0 DDAEMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000375477807 418646099 /nfs/dbraw/zinc/64/60/99/418646099.db2.gz GLPKQZLKZPDCKQ-KYOSRNDESA-N 0 1 306.410 1.620 10 0 DDAEMN O=C([C@@H]1COc2ccccc2C1)N1CCN2CCCC[C@H]2C1 ZINC000250205587 275006426 /nfs/dbraw/zinc/00/64/26/275006426.db2.gz QLWNXLYOJKOFPI-HOTGVXAUSA-N 0 1 300.402 1.934 10 0 DDAEMN Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)oc2c1C(=O)CCC2 ZINC000172307750 280208755 /nfs/dbraw/zinc/20/87/55/280208755.db2.gz MSLVAQLSYMDRNM-GFCCVEGCSA-N 0 1 320.389 1.510 10 0 DDAEMN CS(=O)(=O)c1cccc(Cl)c1CNCC1CC(O)C1 ZINC000130007927 281364949 /nfs/dbraw/zinc/36/49/49/281364949.db2.gz ZMTOFLAMWMOHNR-UHFFFAOYSA-N 0 1 303.811 1.604 10 0 DDAEMN CCc1ccc(CC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000246700697 282007611 /nfs/dbraw/zinc/00/76/11/282007611.db2.gz KABFREQAJOKHQH-GJZGRUSLSA-N 0 1 304.434 1.705 10 0 DDAEMN CC[C@@H]1CN(C(=O)/C=C/c2cnc(C)s2)CCN1C[C@H](C)O ZINC000246823964 282016995 /nfs/dbraw/zinc/01/69/95/282016995.db2.gz LJTSMGDHVVSTBU-UGAQRHAQSA-N 0 1 323.462 1.768 10 0 DDAEMN O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)[N-]OCc1ccccc1 ZINC000247400473 282049902 /nfs/dbraw/zinc/04/99/02/282049902.db2.gz LKYMIZIKFONUJF-HZPDHXFCSA-N 0 1 304.390 1.878 10 0 DDAEMN O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)[N-]OCc1ccccc1 ZINC000247400473 282049903 /nfs/dbraw/zinc/04/99/03/282049903.db2.gz LKYMIZIKFONUJF-HZPDHXFCSA-N 0 1 304.390 1.878 10 0 DDAEMN O=C([O-])[C@H]1CSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000214475770 484139249 /nfs/dbraw/zinc/13/92/49/484139249.db2.gz XTVIJDDIJCTYTK-ZIAGYGMSSA-N 0 1 311.403 1.066 10 0 DDAEMN CCCc1nnc(N2CCN(Cc3n[nH]c(C)n3)CC2)s1 ZINC000302119288 528771644 /nfs/dbraw/zinc/77/16/44/528771644.db2.gz CXSIPOOZTBSUKP-UHFFFAOYSA-N 0 1 307.427 1.239 10 0 DDAEMN CCc1nn(C)c(Cl)c1CN1CCN(CCCO)CC1 ZINC000105917834 696625664 /nfs/dbraw/zinc/62/56/64/696625664.db2.gz UQVAQCNGCVVVIV-UHFFFAOYSA-N 0 1 300.834 1.136 10 0 DDAEMN CC(C)OCCNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000184171406 697500114 /nfs/dbraw/zinc/50/01/14/697500114.db2.gz DUVUEYAQBPGLIQ-UHFFFAOYSA-N 0 1 324.469 1.895 10 0 DDAEMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000262899222 698483911 /nfs/dbraw/zinc/48/39/11/698483911.db2.gz PIQKODFUNQPPGA-OAHLLOKOSA-N 0 1 318.373 1.650 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@@](C)(CC)OC)C1 ZINC000263401296 698505152 /nfs/dbraw/zinc/50/51/52/698505152.db2.gz SESYVRXALYJROK-KOHJWAIASA-N 0 1 315.414 1.038 10 0 DDAEMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@]2(C)CC=CCC2)C1 ZINC000263510565 698510942 /nfs/dbraw/zinc/51/09/42/698510942.db2.gz YPLHMJNRJBHYSY-SEEARECTSA-N 0 1 309.410 1.722 10 0 DDAEMN O=C(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000700770797 699222337 /nfs/dbraw/zinc/22/23/37/699222337.db2.gz IBFSZKLXPKXFDY-ZJUUUORDSA-N 0 1 316.188 1.591 10 0 DDAEMN C/C(=C\C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1)c1ccco1 ZINC000862937347 705830379 /nfs/dbraw/zinc/83/03/79/705830379.db2.gz YQTGFFLNXLRNDY-NEKXEHSPSA-N 0 1 315.377 1.288 10 0 DDAEMN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1nn[nH]n1 ZINC000900396282 709575035 /nfs/dbraw/zinc/57/50/35/709575035.db2.gz NJEBBRMJWYVOBA-JHJVBQTASA-N 0 1 301.325 1.806 10 0 DDAEMN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912903460 713118944 /nfs/dbraw/zinc/11/89/44/713118944.db2.gz QLUATQAWKOIMQQ-RRFJBIMHSA-N 0 1 318.421 1.194 10 0 DDAEMN Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@]3(C)C[C@H](O)CN3C)C2)n1 ZINC000900604197 709673330 /nfs/dbraw/zinc/67/33/30/709673330.db2.gz RFTSDFSGABBRHE-VYDXJSESSA-N 0 1 320.437 1.119 10 0 DDAEMN CC[C@H](O)[C@@H](C)C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000908094357 712685342 /nfs/dbraw/zinc/68/53/42/712685342.db2.gz WQSIQFUHBXBDBO-XEZLXBQYSA-N 0 1 322.409 1.378 10 0 DDAEMN