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COCc1ccc(S(O)=CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000610474726 399370982 /nfs/dbraw/zinc/37/09/82/399370982.db2.gz JIKAVPIHNIOTQW-VVYDWRJNSA-N 0 2 323.458 2.730 20 0 DFADLN COCc1ccc(S(O)=CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000610474724 399370766 /nfs/dbraw/zinc/37/07/66/399370766.db2.gz JIKAVPIHNIOTQW-ALLJEULLSA-N 0 2 323.458 2.730 20 0 DFADLN CCc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1 ZINC000285140249 218307103 /nfs/dbraw/zinc/30/71/03/218307103.db2.gz QVSRMEQPNIBBAX-UHFFFAOYSA-N 0 2 305.403 2.583 20 0 DFADLN c1cc2c(cc1-c1noc(C[C@@H]3CCCCO3)n1)OCCO2 ZINC000273723008 211006756 /nfs/dbraw/zinc/00/67/56/211006756.db2.gz JRYVUKLFYNKHOM-LBPRGKRZSA-N 0 2 302.330 2.619 20 0 DFADLN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cncnc1 ZINC000273724040 211006693 /nfs/dbraw/zinc/00/66/93/211006693.db2.gz HALCVTQZDHOIMJ-CYBMUJFWSA-N 0 2 316.792 2.529 20 0 DFADLN COC[C@@H]1CN(c2cc(Cl)nc(C3CC3)n2)CC(C)(C)O1 ZINC000285165984 218316676 /nfs/dbraw/zinc/31/66/76/218316676.db2.gz URKYCUYBMSSRPZ-NSHDSACASA-N 0 2 311.813 2.638 20 0 DFADLN CCCOCc1nc(-c2ccc(N3CCCC3=O)cc2)no1 ZINC000273723481 211006139 /nfs/dbraw/zinc/00/61/39/211006139.db2.gz MSJCRBGZOWHBJL-UHFFFAOYSA-N 0 2 301.346 2.790 20 0 DFADLN CCCCc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 ZINC000059241326 184135954 /nfs/dbraw/zinc/13/59/54/184135954.db2.gz JROLJCLAVUNHOF-UHFFFAOYSA-N 0 2 315.395 2.821 20 0 DFADLN CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000062453476 184236874 /nfs/dbraw/zinc/23/68/74/184236874.db2.gz CVNWELJGGHGWCR-HNNXBMFYSA-N 0 2 304.390 2.688 20 0 DFADLN CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000062453476 184236876 /nfs/dbraw/zinc/23/68/76/184236876.db2.gz CVNWELJGGHGWCR-HNNXBMFYSA-N 0 2 304.390 2.688 20 0 DFADLN CC(C)(C)n1cc(NS(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000065833914 184381145 /nfs/dbraw/zinc/38/11/45/184381145.db2.gz RTXKJVFODWOKMY-UHFFFAOYSA-N 0 2 315.345 2.717 20 0 DFADLN Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000066247748 184398680 /nfs/dbraw/zinc/39/86/80/184398680.db2.gz MBGHISWTHMKHLW-UHFFFAOYSA-N 0 2 307.419 2.827 20 0 DFADLN CC(C)n1nccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000066248388 184398860 /nfs/dbraw/zinc/39/88/60/184398860.db2.gz IUXHQXAIABGEFB-UHFFFAOYSA-N 0 2 301.318 2.543 20 0 DFADLN O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000119651915 195009391 /nfs/dbraw/zinc/00/93/91/195009391.db2.gz UOUQROMXEOVIBY-VIFPVBQESA-N 0 2 314.370 2.514 20 0 DFADLN Cc1n[nH]cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000119973061 195072518 /nfs/dbraw/zinc/07/25/18/195072518.db2.gz WAUOYKSKWWJCBI-UHFFFAOYSA-N 0 2 305.281 2.538 20 0 DFADLN O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000631896048 399522242 /nfs/dbraw/zinc/52/22/42/399522242.db2.gz NFURCFRCDDSHMF-GFCCVEGCSA-N 0 2 305.765 2.505 20 0 DFADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC=C(C)CC2)=N1 ZINC000270171396 208236482 /nfs/dbraw/zinc/23/64/82/208236482.db2.gz VLHKHPZSZTXDPZ-UHFFFAOYSA-N 0 2 315.348 2.818 20 0 DFADLN O=C(CSc1n[nH]c(=O)[nH]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000629176845 399535250 /nfs/dbraw/zinc/53/52/50/399535250.db2.gz NHPAGERMADVPSG-RNFRBKRXSA-N 0 2 309.313 2.540 20 0 DFADLN CCc1cccnc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000347617930 285095364 /nfs/dbraw/zinc/09/53/64/285095364.db2.gz JWZPGMZSFZLWKU-UHFFFAOYSA-N 0 2 311.320 2.821 20 0 DFADLN CC(C)[C@@H](O)CC(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000288649829 220320782 /nfs/dbraw/zinc/32/07/82/220320782.db2.gz REXUSQWYHGASCC-KRWDZBQOSA-N 0 2 300.402 2.781 20 0 DFADLN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCCOC1CCC1 ZINC000288650374 220320925 /nfs/dbraw/zinc/32/09/25/220320925.db2.gz DZXSYGPXIOAKOY-KRWDZBQOSA-N 0 2 318.417 2.586 20 0 DFADLN CCOCC(C)(C)CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C1=O ZINC000288650351 220321447 /nfs/dbraw/zinc/32/14/47/220321447.db2.gz DZPMZCWXRLNJCA-ZDUSSCGKSA-N 0 2 324.808 2.996 20 0 DFADLN Cc1cccc(CS(=O)(=O)N[C@H]2c3ccccc3O[C@H]2C)c1 ZINC000288649928 220321679 /nfs/dbraw/zinc/32/16/79/220321679.db2.gz QJBUGSMELGZVAR-SUMWQHHRSA-N 0 2 317.410 2.937 20 0 DFADLN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1COc2ccccc21 ZINC000288650393 220321739 /nfs/dbraw/zinc/32/17/39/220321739.db2.gz AMMFUQDUMHERTI-CQSZACIVSA-N 0 2 324.380 2.534 20 0 DFADLN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1c1ncc(Cl)cn1 ZINC000288650515 220322291 /nfs/dbraw/zinc/32/22/91/220322291.db2.gz XZONWAFPFOSEPP-KOLCDFICSA-N 0 2 312.801 2.622 20 0 DFADLN Cc1nc(NS(=O)(=O)c2cccnc2C(F)(F)F)oc1C ZINC000288720727 220370384 /nfs/dbraw/zinc/37/03/84/220370384.db2.gz ZTKMCQYKLJAQEI-UHFFFAOYSA-N 0 2 321.280 2.506 20 0 DFADLN CCC(=O)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000629316722 399568596 /nfs/dbraw/zinc/56/85/96/399568596.db2.gz SNIIMUGDZUZAEN-UHFFFAOYSA-N 0 2 321.402 2.858 20 0 DFADLN COc1cccc(NS(=O)(=O)c2sc(C)nc2C)c1C ZINC000629316986 399568734 /nfs/dbraw/zinc/56/87/34/399568734.db2.gz VWBURXIOFCMPBP-UHFFFAOYSA-N 0 2 312.416 2.878 20 0 DFADLN O=C(NCc1noc2c1CCCC2)c1cc(F)c(O)c(Cl)c1 ZINC000288730345 220377349 /nfs/dbraw/zinc/37/73/49/220377349.db2.gz YYIZNJXFRRWOTP-UHFFFAOYSA-N 0 2 324.739 2.982 20 0 DFADLN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cnnn1C ZINC000629350423 399575544 /nfs/dbraw/zinc/57/55/44/399575544.db2.gz OGLNEZXZMPNPSA-UHFFFAOYSA-N 0 2 322.434 2.863 20 0 DFADLN COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c(OC)n1 ZINC000620710226 399575973 /nfs/dbraw/zinc/57/59/73/399575973.db2.gz HJLFGRUHZWLGIG-UHFFFAOYSA-N 0 2 322.386 2.516 20 0 DFADLN Cc1cc(C[NH+]2CCC(c3ncc(C(=O)[O-])s3)CC2)no1 ZINC000629367505 399580564 /nfs/dbraw/zinc/58/05/64/399580564.db2.gz MPBUNXZHBGCBKI-UHFFFAOYSA-N 0 2 307.375 2.517 20 0 DFADLN C/C=C/C[C@@H]1CCC[N@H+](Cc2noc(CCCC(=O)[O-])n2)C1 ZINC000629375306 399585035 /nfs/dbraw/zinc/58/50/35/399585035.db2.gz COGQWMMVHGOWBU-YWVDXFKGSA-N 0 2 307.394 2.655 20 0 DFADLN C/C=C/C[C@@H]1CCC[N@@H+](Cc2noc(CCCC(=O)[O-])n2)C1 ZINC000629375306 399585042 /nfs/dbraw/zinc/58/50/42/399585042.db2.gz COGQWMMVHGOWBU-YWVDXFKGSA-N 0 2 307.394 2.655 20 0 DFADLN O=C([O-])c1cc(C[N@@H+]2CCOc3cc(F)ccc3C2)cs1 ZINC000629376227 399585657 /nfs/dbraw/zinc/58/56/57/399585657.db2.gz SEPIEANRIVUWJV-UHFFFAOYSA-N 0 2 307.346 2.980 20 0 DFADLN 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O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1C[C@@H]2CCC[C@H]21 ZINC000559980506 430017077 /nfs/dbraw/zinc/01/70/77/430017077.db2.gz CZUMAEGFXLMAKP-GXFFZTMASA-N 0 2 317.776 2.856 20 0 DFADLN Cc1cccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000559970671 430018259 /nfs/dbraw/zinc/01/82/59/430018259.db2.gz PXLYRKHCGZAHLC-UHFFFAOYSA-N 0 2 303.387 2.538 20 0 DFADLN COCCn1[nH]c(-c2ccc(OCc3ccccc3)cc2)cc1=O ZINC000634596817 430048617 /nfs/dbraw/zinc/04/86/17/430048617.db2.gz SCFAMDUAILNBFL-UHFFFAOYSA-N 0 2 324.380 2.848 20 0 DFADLN O=S(=O)(Nc1cnoc1C1CC1)c1cnn(C2CCCC2)c1 ZINC000634793583 430114355 /nfs/dbraw/zinc/11/43/55/430114355.db2.gz QOXGIJNUHJHAFL-UHFFFAOYSA-N 0 2 322.390 2.664 20 0 DFADLN Cc1nocc1S(=O)(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000634792828 430114435 /nfs/dbraw/zinc/11/44/35/430114435.db2.gz JMJMSVMDVFDYBQ-UHFFFAOYSA-N 0 2 321.280 2.506 20 0 DFADLN Cc1ccc(-c2nc(NC(=O)c3c(F)ccc(O)c3F)n[nH]2)o1 ZINC000561975638 430103045 /nfs/dbraw/zinc/10/30/45/430103045.db2.gz FSBGTTSJTWFCTP-UHFFFAOYSA-N 0 2 320.255 2.609 20 0 DFADLN Cc1ccc(-c2n[nH]c(NC(=O)c3c(F)ccc(O)c3F)n2)o1 ZINC000561975638 430103050 /nfs/dbraw/zinc/10/30/50/430103050.db2.gz FSBGTTSJTWFCTP-UHFFFAOYSA-N 0 2 320.255 2.609 20 0 DFADLN Cc1nocc1S(=O)(=O)Nc1cccc(C2CCOCC2)c1 ZINC000634793824 430114923 /nfs/dbraw/zinc/11/49/23/430114923.db2.gz CCYQSTSYWBAUNO-UHFFFAOYSA-N 0 2 322.386 2.678 20 0 DFADLN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2conc2C)c1 ZINC000634787724 430111756 /nfs/dbraw/zinc/11/17/56/430111756.db2.gz MNVFDRGDBDMWGN-SNVBAGLBSA-N 0 2 310.375 2.961 20 0 DFADLN COc1ccccc1NS(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000634784816 430112285 /nfs/dbraw/zinc/11/22/85/430112285.db2.gz GOZDIQGJRCGCND-UHFFFAOYSA-N 0 2 321.402 2.808 20 0 DFADLN CCc1ncc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)s1 ZINC000562263352 430112888 /nfs/dbraw/zinc/11/28/88/430112888.db2.gz GNIZRPLFAYUGOD-UHFFFAOYSA-N 0 2 323.399 2.956 20 0 DFADLN O=S(=O)(Nc1ccc(F)cc1)c1cnn(C2CCCC2)c1 ZINC000634785115 430112925 /nfs/dbraw/zinc/11/29/25/430112925.db2.gz UJSPSJBZNVVMRQ-UHFFFAOYSA-N 0 2 309.366 2.938 20 0 DFADLN O=c1cc(C2CC2)[nH]n1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000634605696 430050823 /nfs/dbraw/zinc/05/08/23/430050823.db2.gz UKULNPJPJBWDAT-UHFFFAOYSA-N 0 2 302.721 2.893 20 0 DFADLN CO[C@@H]1CCC[C@H](CC(=O)N=c2nc(C3(C)CC3)[nH]s2)C1 ZINC000529698574 430051772 /nfs/dbraw/zinc/05/17/72/430051772.db2.gz PHDSPZPSOZYUEN-WDEREUQCSA-N 0 2 309.435 2.545 20 0 DFADLN CC1(c2nc(=NC(=O)c3cccnc3C3CC3)s[nH]2)CC1 ZINC000529699029 430052315 /nfs/dbraw/zinc/05/23/15/430052315.db2.gz QBWPZQFKPWXMQE-UHFFFAOYSA-N 0 2 300.387 2.536 20 0 DFADLN C[C@H](OCc1ccccc1)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529699334 430052547 /nfs/dbraw/zinc/05/25/47/430052547.db2.gz UERIPIXPUPVTTM-NSHDSACASA-N 0 2 317.414 2.555 20 0 DFADLN CC1CCC(OCC(=O)N=c2nc(C3(C)CC3)[nH]s2)CC1 ZINC000529698455 430052765 /nfs/dbraw/zinc/05/27/65/430052765.db2.gz MBKWMIFFANVACS-UHFFFAOYSA-N 0 2 309.435 2.545 20 0 DFADLN CCOc1ccccc1C1=NN([C@@H]2CCO[C@H](C)C2)C(=O)C1 ZINC000634610438 430052710 /nfs/dbraw/zinc/05/27/10/430052710.db2.gz 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/nfs/dbraw/zinc/05/91/44/430059144.db2.gz VXAJNDGYOMAJHT-KRWDZBQOSA-N 0 2 324.380 2.972 20 0 DFADLN CCOc1ccccc1C1=NN([C@H](C)C(F)(F)F)C(=O)C1 ZINC000634631376 430059570 /nfs/dbraw/zinc/05/95/70/430059570.db2.gz SGGHFVQIWPDKBN-SECBINFHSA-N 0 2 300.280 2.973 20 0 DFADLN CCOc1ccccc1-c1cc(=O)n([C@H](C)C(F)(F)F)[nH]1 ZINC000634631376 430059572 /nfs/dbraw/zinc/05/95/72/430059572.db2.gz SGGHFVQIWPDKBN-SECBINFHSA-N 0 2 300.280 2.973 20 0 DFADLN CCCc1cnc(NS(=O)(=O)c2cc(C)ns2)s1 ZINC000634656697 430067993 /nfs/dbraw/zinc/06/79/93/430067993.db2.gz BKIJJHTWMKTGJV-UHFFFAOYSA-N 0 2 303.434 2.661 20 0 DFADLN CCCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000634663077 430068488 /nfs/dbraw/zinc/06/84/88/430068488.db2.gz XKOKQBCZRLLCSC-GXFFZTMASA-N 0 2 321.402 2.946 20 0 DFADLN Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3C[C@@H]3C)o2)c(C)c1 ZINC000634661903 430068558 /nfs/dbraw/zinc/06/85/58/430068558.db2.gz DCHRUQXPHNARCJ-ONGXEEELSA-N 0 2 307.375 2.611 20 0 DFADLN CCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3C[C@H]3C)o2)s1 ZINC000634662246 430069192 /nfs/dbraw/zinc/06/91/92/430069192.db2.gz KMFADXDUMCACHI-VXNVDRBHSA-N 0 2 313.404 2.618 20 0 DFADLN Cc1nocc1S(=O)(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000634792273 430113794 /nfs/dbraw/zinc/11/37/94/430113794.db2.gz KMIWSJNOOJYHOP-UHFFFAOYSA-N 0 2 310.375 2.879 20 0 DFADLN Cn1ccc(C[NH2+][C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)n1 ZINC000561157995 430078109 /nfs/dbraw/zinc/07/81/09/430078109.db2.gz KGGGRHJYLWNRLS-SFHVURJKSA-N 0 2 313.401 2.561 20 0 DFADLN COc1cccc([C@@H](C(=O)[O-])[N@H+](C)Cc2ccccc2OC)c1 ZINC000634690367 430079018 /nfs/dbraw/zinc/07/90/18/430079018.db2.gz JSCVRCIFNHKHNF-KRWDZBQOSA-N 0 2 315.369 2.962 20 0 DFADLN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccccc2OC)c1 ZINC000634690367 430079020 /nfs/dbraw/zinc/07/90/20/430079020.db2.gz JSCVRCIFNHKHNF-KRWDZBQOSA-N 0 2 315.369 2.962 20 0 DFADLN Cc1nocc1S(=O)(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000634792907 430113946 /nfs/dbraw/zinc/11/39/46/430113946.db2.gz NDFFWJIIIMAPOP-UHFFFAOYSA-N 0 2 324.406 2.514 20 0 DFADLN C[N@H+](CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634692294 430080467 /nfs/dbraw/zinc/08/04/67/430080467.db2.gz XUJOSVUSKRNKBM-UHFFFAOYSA-N 0 2 314.263 2.877 20 0 DFADLN C[N@@H+](CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634692294 430080469 /nfs/dbraw/zinc/08/04/69/430080469.db2.gz XUJOSVUSKRNKBM-UHFFFAOYSA-N 0 2 314.263 2.877 20 0 DFADLN Cc1cccn2cc(CC(=O)Nc3ccc(C(=O)[O-])c(C)c3)[nH+]c12 ZINC000535590182 430164863 /nfs/dbraw/zinc/16/48/63/430164863.db2.gz LTBOCCPYNQIGEF-UHFFFAOYSA-N 0 2 323.352 2.831 20 0 DFADLN O=C([O-])c1ccc[nH+]c1N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000634966804 430177398 /nfs/dbraw/zinc/17/73/98/430177398.db2.gz YZTQXKCPUXRPPM-ZDUSSCGKSA-N 0 2 302.305 2.577 20 0 DFADLN C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000634823169 430123075 /nfs/dbraw/zinc/12/30/75/430123075.db2.gz MZUOTVLSGNNHEN-QWHCGFSZSA-N 0 2 315.373 2.550 20 0 DFADLN Cc1cc(C)c(CNC(=O)[C@](C)(CC(=O)[O-])CC(C)C)c[nH+]1 ZINC000634840201 430130422 /nfs/dbraw/zinc/13/04/22/430130422.db2.gz DQFMTIGLWSIHAC-KRWDZBQOSA-N 0 2 306.406 2.842 20 0 DFADLN CCCCc1ccc(NS(=O)(=O)c2c(C)onc2N)cc1 ZINC000562451194 430133709 /nfs/dbraw/zinc/13/37/09/430133709.db2.gz ZMMPJDNLBJVYFM-UHFFFAOYSA-N 0 2 309.391 2.709 20 0 DFADLN Cc1onc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1C(=O)[O-] ZINC000581195748 430186261 /nfs/dbraw/zinc/18/62/61/430186261.db2.gz HMVHXDKYFWLOPJ-ABAIWWIYSA-N 0 2 316.357 2.643 20 0 DFADLN Cc1onc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1C(=O)[O-] ZINC000581195748 430186264 /nfs/dbraw/zinc/18/62/64/430186264.db2.gz HMVHXDKYFWLOPJ-ABAIWWIYSA-N 0 2 316.357 2.643 20 0 DFADLN CC(C)(C)c1nc(=N[C@H]2CCO[C@H](c3ccncc3)C2)s[nH]1 ZINC000581351412 430201341 /nfs/dbraw/zinc/20/13/41/430201341.db2.gz SLCJOMUILOYLFB-STQMWFEESA-N 0 2 318.446 2.985 20 0 DFADLN CC(C)(C)c1nsc(N[C@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000581351412 430201342 /nfs/dbraw/zinc/20/13/42/430201342.db2.gz SLCJOMUILOYLFB-STQMWFEESA-N 0 2 318.446 2.985 20 0 DFADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000564817370 430199752 /nfs/dbraw/zinc/19/97/52/430199752.db2.gz NYQSHBLTCXZAHY-GMTAPVOTSA-N 0 2 300.337 2.986 20 0 DFADLN c1cnn(C[C@@H]2CCC[N@@H+]2[C@@H](c2nc[nH]n2)C2CCCCC2)c1 ZINC000638051084 430219870 /nfs/dbraw/zinc/21/98/70/430219870.db2.gz BTAALVXATGZWSW-JKSUJKDBSA-N 0 2 314.437 2.787 20 0 DFADLN c1cnn(C[C@@H]2CCC[N@H+]2[C@@H](c2nc[nH]n2)C2CCCCC2)c1 ZINC000638051084 430219874 /nfs/dbraw/zinc/21/98/74/430219874.db2.gz BTAALVXATGZWSW-JKSUJKDBSA-N 0 2 314.437 2.787 20 0 DFADLN CCc1nocc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000581504296 430216268 /nfs/dbraw/zinc/21/62/68/430216268.db2.gz LQVOMKLUKMMRDS-LBPRGKRZSA-N 0 2 301.394 2.612 20 0 DFADLN CCc1nocc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000581504296 430216274 /nfs/dbraw/zinc/21/62/74/430216274.db2.gz LQVOMKLUKMMRDS-LBPRGKRZSA-N 0 2 301.394 2.612 20 0 DFADLN O=C(N[C@@H]1CCC[C@@H](F)C1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000567237363 430280761 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CN(C)c1cc(COC(=O)c2cccc(NC(=O)[O-])c2)cc[nH+]1 ZINC000833690910 605144770 /nfs/dbraw/zinc/14/47/70/605144770.db2.gz JEVNZDIVDBXOLS-UHFFFAOYSA-N 0 2 315.329 2.595 20 0 DFADLN CN(C)c1cc(CN2CCCc3c(C(=O)[O-])cccc32)cc[nH+]1 ZINC000833691612 605146314 /nfs/dbraw/zinc/14/63/14/605146314.db2.gz QQKRDJKWXOCJEE-UHFFFAOYSA-N 0 2 311.385 2.799 20 0 DFADLN C[C@@H](Nc1cncc(C(=O)[O-])n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000833525804 605187290 /nfs/dbraw/zinc/18/72/90/605187290.db2.gz RBBJAOGFGGTJIU-LLVKDONJSA-N 0 2 309.329 2.534 20 0 DFADLN O=C([O-])NCC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000834225585 605344768 /nfs/dbraw/zinc/34/47/68/605344768.db2.gz LFDMNLDTYKJXBU-UHFFFAOYSA-N 0 2 318.204 2.868 20 0 DFADLN O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000834106290 605495999 /nfs/dbraw/zinc/49/59/99/605495999.db2.gz IXZPYCXKLAVTGW-OAHLLOKOSA-N 0 2 319.405 2.906 20 0 DFADLN Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833934438 605524915 /nfs/dbraw/zinc/52/49/15/605524915.db2.gz KIZFDIWVRMAGME-UHFFFAOYSA-N 0 2 309.391 2.753 20 0 DFADLN Cc1oc(-c2cccs2)nc1C[N@H+](C)CCN(C)C(=O)[O-] ZINC000833934438 605524918 /nfs/dbraw/zinc/52/49/18/605524918.db2.gz KIZFDIWVRMAGME-UHFFFAOYSA-N 0 2 309.391 2.753 20 0 DFADLN O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000834218013 605555934 /nfs/dbraw/zinc/55/59/34/605555934.db2.gz FMABCEVOKPJETF-VIFPVBQESA-N 0 2 302.296 2.584 20 0 DFADLN O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000834218013 605555938 /nfs/dbraw/zinc/55/59/38/605555938.db2.gz FMABCEVOKPJETF-VIFPVBQESA-N 0 2 302.296 2.584 20 0 DFADLN O=C([O-])Nc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cn1 ZINC000834260313 605594548 /nfs/dbraw/zinc/59/45/48/605594548.db2.gz PEJPHFMRZUPSTF-UHFFFAOYSA-N 0 2 301.321 2.869 20 0 DFADLN O=C([O-])Nc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cn1 ZINC000834260313 605594551 /nfs/dbraw/zinc/59/45/51/605594551.db2.gz PEJPHFMRZUPSTF-UHFFFAOYSA-N 0 2 301.321 2.869 20 0 DFADLN O=C([O-])Nc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cn1 ZINC000834258933 605610907 /nfs/dbraw/zinc/61/09/07/605610907.db2.gz ODGHUOZHJMIDHZ-UHFFFAOYSA-N 0 2 301.268 2.866 20 0 DFADLN O=C([O-])Nc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cn1 ZINC000834258933 605610910 /nfs/dbraw/zinc/61/09/10/605610910.db2.gz ODGHUOZHJMIDHZ-UHFFFAOYSA-N 0 2 301.268 2.866 20 0 DFADLN Cc1ccccc1-c1noc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC000321902270 605849773 /nfs/dbraw/zinc/84/97/73/605849773.db2.gz ULJYGXGGGJSWNE-CQSZACIVSA-N 0 2 315.373 2.874 20 0 DFADLN Cc1ccccc1-c1noc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC000321902270 605849777 /nfs/dbraw/zinc/84/97/77/605849777.db2.gz ULJYGXGGGJSWNE-CQSZACIVSA-N 0 2 315.373 2.874 20 0 DFADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccnn1C(C)C ZINC000278472477 214174981 /nfs/dbraw/zinc/17/49/81/214174981.db2.gz HOMXNZDBCFAHSM-UHFFFAOYSA-N 0 2 323.418 2.890 20 0 DFADLN O=C([C@H](F)C(F)(F)F)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000278457468 214166214 /nfs/dbraw/zinc/16/62/14/214166214.db2.gz VGCSUSGOJCTMCS-STQMWFEESA-N 0 2 319.298 2.747 20 0 DFADLN O=C(C(F)C(F)(F)F)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000278457468 214166217 /nfs/dbraw/zinc/16/62/17/214166217.db2.gz VGCSUSGOJCTMCS-STQMWFEESA-N 0 2 319.298 2.747 20 0 DFADLN COc1cc(C)cc(NS(=O)(=O)c2cnc(C)s2)c1C ZINC000278484707 214182865 /nfs/dbraw/zinc/18/28/65/214182865.db2.gz KOYNRTGCGYLSHM-UHFFFAOYSA-N 0 2 312.416 2.878 20 0 DFADLN CC1(C)CC[C@@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1 ZINC000278487803 214186102 /nfs/dbraw/zinc/18/61/02/214186102.db2.gz GUJFXOTZWSMLGD-NSHDSACASA-N 0 2 304.325 2.507 20 0 DFADLN O=C(NCc1ccsc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000081940316 192343022 /nfs/dbraw/zinc/34/30/22/192343022.db2.gz BVHGNJPJAWRYHJ-UHFFFAOYSA-N 0 2 317.345 2.709 20 0 DFADLN CCCC(=O)Nc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000278781379 214398177 /nfs/dbraw/zinc/39/81/77/214398177.db2.gz HNAQMNMGGVHBPU-GFCCVEGCSA-N 0 2 320.286 2.942 20 0 DFADLN CCCC(=O)Nc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000278781379 214398179 /nfs/dbraw/zinc/39/81/79/214398179.db2.gz HNAQMNMGGVHBPU-GFCCVEGCSA-N 0 2 320.286 2.942 20 0 DFADLN Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000591905901 398349093 /nfs/dbraw/zinc/34/90/93/398349093.db2.gz KZGSKLNKCVBSTL-DJIMGWMZSA-N 0 2 318.465 2.523 20 0 DFADLN CCNC(=O)c1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000066046921 398355898 /nfs/dbraw/zinc/35/58/98/398355898.db2.gz VSPOYVKSLUTLQS-UHFFFAOYSA-N 0 2 320.295 2.672 20 0 DFADLN COCc1cccc(CNC(=O)c2c(O)cc(F)cc2F)c1 ZINC000066046433 398356005 /nfs/dbraw/zinc/35/60/05/398356005.db2.gz IKEODBPKILAGLP-UHFFFAOYSA-N 0 2 307.296 2.747 20 0 DFADLN CCOc1cccc(CNC(=O)c2c(O)cc(F)cc2F)c1 ZINC000066046478 398356126 /nfs/dbraw/zinc/35/61/26/398356126.db2.gz LOMHESKOLILEKB-UHFFFAOYSA-N 0 2 307.296 2.999 20 0 DFADLN CCc1nc(CN(C)C(=O)c2c(O)cc(F)cc2F)cs1 ZINC000066053709 398357204 /nfs/dbraw/zinc/35/72/04/398357204.db2.gz PGCXZYNMRCJNNF-UHFFFAOYSA-N 0 2 312.341 2.962 20 0 DFADLN Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000591906120 398350314 /nfs/dbraw/zinc/35/03/14/398350314.db2.gz JVIBYZNOICNTIK-RISCZKNCSA-N 0 2 301.394 2.850 20 0 DFADLN CCNC(=O)c1cccc(NC(=O)c2c(O)cc(F)cc2F)c1 ZINC000066043370 398355241 /nfs/dbraw/zinc/35/52/41/398355241.db2.gz QUILBURGZOZYIA-UHFFFAOYSA-N 0 2 320.295 2.672 20 0 DFADLN O=C(c1c(O)cc(F)cc1F)N1CCN(c2ccccc2)CC1 ZINC000066041575 398355582 /nfs/dbraw/zinc/35/55/82/398355582.db2.gz RKMVBLZWANSMAM-UHFFFAOYSA-N 0 2 318.323 2.633 20 0 DFADLN CCc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1 ZINC000066249928 398364929 /nfs/dbraw/zinc/36/49/29/398364929.db2.gz URSTXFAPOAOMKK-UHFFFAOYSA-N 0 2 307.419 2.902 20 0 DFADLN CC(C)Cn1nccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000066249875 398364991 /nfs/dbraw/zinc/36/49/91/398364991.db2.gz NQSLWYRANQMRDT-UHFFFAOYSA-N 0 2 315.345 2.618 20 0 DFADLN CC(C)CCO[C@@H]1CCN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000081815357 398372288 /nfs/dbraw/zinc/37/22/88/398372288.db2.gz MLTADZKYOXXMAE-GFCCVEGCSA-N 0 2 313.344 2.948 20 0 DFADLN Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000090230341 185287917 /nfs/dbraw/zinc/28/79/17/185287917.db2.gz LPTSADUOABPAKU-UHFFFAOYSA-N 0 2 317.773 2.928 20 0 DFADLN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000011716611 398383565 /nfs/dbraw/zinc/38/35/65/398383565.db2.gz JRKWYBWTBNRWLV-UHFFFAOYSA-N 0 2 323.356 2.805 20 0 DFADLN CCn1cc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cn1 ZINC000066577504 398385181 /nfs/dbraw/zinc/38/51/81/398385181.db2.gz CUYRGTVFFDAWGL-UHFFFAOYSA-N 0 2 322.415 2.622 20 0 DFADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000066574924 398385461 /nfs/dbraw/zinc/38/54/61/398385461.db2.gz XUNNFOCLEVBQKE-UHFFFAOYSA-N 0 2 323.345 2.722 20 0 DFADLN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cnn(CC)c2)cc1 ZINC000066583162 398385827 /nfs/dbraw/zinc/38/58/27/398385827.db2.gz REVZSVWRLXFOGC-GFCCVEGCSA-N 0 2 323.418 2.881 20 0 DFADLN CCCOc1cc(C)ccc1NS(=O)(=O)c1cnn(CC)c1 ZINC000066582008 398386218 /nfs/dbraw/zinc/38/62/18/398386218.db2.gz QXLTUBUALSTEIK-UHFFFAOYSA-N 0 2 323.418 2.801 20 0 DFADLN O=c1[n-]c(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)n[nH]1 ZINC000092616979 185329094 /nfs/dbraw/zinc/32/90/94/185329094.db2.gz QOSQKIHBEQNTNI-UHFFFAOYSA-N 0 2 312.295 2.694 20 0 DFADLN O=c1[n-]c(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)n[nH]1 ZINC000092616979 185329095 /nfs/dbraw/zinc/32/90/95/185329095.db2.gz QOSQKIHBEQNTNI-UHFFFAOYSA-N 0 2 312.295 2.694 20 0 DFADLN CCCc1nnc(NS(=O)(=O)c2cc(F)ccc2C)s1 ZINC000083956070 398391763 /nfs/dbraw/zinc/39/17/63/398391763.db2.gz BBKOVAIWKBTXND-UHFFFAOYSA-N 0 2 315.395 2.739 20 0 DFADLN CCCc1cc(NS(=O)(=O)c2ccccc2Cl)n(C)n1 ZINC000092866042 185347198 /nfs/dbraw/zinc/34/71/98/185347198.db2.gz RBWIWUHFQDRILA-UHFFFAOYSA-N 0 2 313.810 2.827 20 0 DFADLN O=S(=O)(Nc1ccccc1O)c1cnc2ccsc2c1 ZINC000084460546 398401760 /nfs/dbraw/zinc/40/17/60/398401760.db2.gz AWJRDGWTUYAZGS-UHFFFAOYSA-N 0 2 306.368 2.803 20 0 DFADLN COc1ccc(Br)c(C[N@H+](CC(=O)[O-])C2CC2)c1 ZINC000087790173 398431974 /nfs/dbraw/zinc/43/19/74/398431974.db2.gz GMVQVSQGAZBSRP-UHFFFAOYSA-N 0 2 314.179 2.507 20 0 DFADLN COc1ccc(Br)c(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000087790173 398431975 /nfs/dbraw/zinc/43/19/75/398431975.db2.gz GMVQVSQGAZBSRP-UHFFFAOYSA-N 0 2 314.179 2.507 20 0 DFADLN COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000106907210 185461793 /nfs/dbraw/zinc/46/17/93/185461793.db2.gz HNCYMFFSAGTNEF-ZETCQYMHSA-N 0 2 320.172 2.580 20 0 DFADLN CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nnc2ccccn21 ZINC000459473395 299115472 /nfs/dbraw/zinc/11/54/72/299115472.db2.gz XUDGRHFYYLVDMX-MRXNPFEDSA-N 0 2 313.449 2.787 20 0 DFADLN O=C(Nc1cccc(NS(=O)(=O)c2cccs2)c1)C1CC1 ZINC000028250751 398472993 /nfs/dbraw/zinc/47/29/93/398472993.db2.gz KGXDSSUCPWAEQF-UHFFFAOYSA-N 0 2 322.411 2.897 20 0 DFADLN CCCOc1cc(C)ccc1NS(=O)(=O)c1cnn(C)c1C ZINC000291920757 222712435 /nfs/dbraw/zinc/71/24/35/222712435.db2.gz NHHDWNOUWZPXBY-UHFFFAOYSA-N 0 2 323.418 2.627 20 0 DFADLN CC(C)c1noc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000090148041 398483747 /nfs/dbraw/zinc/48/37/47/398483747.db2.gz BEKMWVAUEXNXEY-CQSZACIVSA-N 0 2 314.389 2.796 20 0 DFADLN CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091012209 398500900 /nfs/dbraw/zinc/50/09/00/398500900.db2.gz TVOQLACJCBQSOD-UHFFFAOYSA-N 0 2 324.427 2.525 20 0 DFADLN CCc1nn(C)cc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000091021593 398502893 /nfs/dbraw/zinc/50/28/93/398502893.db2.gz METMVQLILRJJOJ-UHFFFAOYSA-N 0 2 313.810 2.745 20 0 DFADLN CCOC(=O)CC[C@H]1C(C)=NN(Cc2ccc(C)cc2)C1=O ZINC000314816565 398522154 /nfs/dbraw/zinc/52/21/54/398522154.db2.gz PVRHRKATROPIIQ-HNNXBMFYSA-N 0 2 302.374 2.673 20 0 DFADLN CCCCS[C@@H](C)C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170747313 197814498 /nfs/dbraw/zinc/81/44/98/197814498.db2.gz BBKFMYWKMZQWMK-JTQLQIEISA-N 0 2 321.402 2.890 20 0 DFADLN CC(C)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000032597079 398533775 /nfs/dbraw/zinc/53/37/75/398533775.db2.gz LMRLNDGTOFJAOD-UHFFFAOYSA-N 0 2 324.427 2.687 20 0 DFADLN CCn1nccc1NS(=O)(=O)c1cc(C)cc2cccnc21 ZINC000589264816 398542154 /nfs/dbraw/zinc/54/21/54/398542154.db2.gz DYJQTICIWYJYLL-UHFFFAOYSA-N 0 2 316.386 2.560 20 0 DFADLN O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000367124766 304005544 /nfs/dbraw/zinc/00/55/44/304005544.db2.gz AFNVVAUGERABCP-VIFPVBQESA-N 0 2 314.370 2.898 20 0 DFADLN CSCCONC(=O)CSCc1ccc(Cl)cc1 ZINC000279861217 215186865 /nfs/dbraw/zinc/18/68/65/215186865.db2.gz CYUIDMPYHCIENY-UHFFFAOYSA-N 0 2 305.852 2.984 20 0 DFADLN CO[C@]1(C)CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000279896320 215215121 /nfs/dbraw/zinc/21/51/21/215215121.db2.gz HSZMCKPUYPBARU-GOEBONIOSA-N 0 2 311.809 2.791 20 0 DFADLN C[C@H](CNC(=O)N[C@H](CO)CC1CCC1)c1ccc(F)cc1 ZINC000279895845 215215208 /nfs/dbraw/zinc/21/52/08/215215208.db2.gz KZIFKOTYUIPGCK-WBMJQRKESA-N 0 2 308.397 2.780 20 0 DFADLN CC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)cn1 ZINC000279895820 215215799 /nfs/dbraw/zinc/21/57/99/215215799.db2.gz DMFFMBLOIYVFHG-IUODEOHRSA-N 0 2 318.421 2.808 20 0 DFADLN COc1cccnc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000069676889 398580314 /nfs/dbraw/zinc/58/03/14/398580314.db2.gz ASVBJRABSBWDLS-UHFFFAOYSA-N 0 2 316.741 2.684 20 0 DFADLN Cc1cc(F)ccc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000083956222 192391382 /nfs/dbraw/zinc/39/13/82/192391382.db2.gz HAIDQNZAXQKWIQ-UHFFFAOYSA-N 0 2 315.395 2.910 20 0 DFADLN CO[C@]1(C)CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000279962803 215274187 /nfs/dbraw/zinc/27/41/87/215274187.db2.gz KMUBXOGFLWKDGB-CQSZACIVSA-N 0 2 301.745 2.826 20 0 DFADLN CC(C)c1cc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)on1 ZINC000070839087 398600776 /nfs/dbraw/zinc/60/07/76/398600776.db2.gz NPYUOGLBDXTGHI-UHFFFAOYSA-N 0 2 314.301 2.806 20 0 DFADLN CCOC(=O)C[C@H](C)CNC(=O)c1cc(F)cc(Cl)c1O ZINC000089993558 282671282 /nfs/dbraw/zinc/67/12/82/282671282.db2.gz CNKJODUZTKXYRP-QMMMGPOBSA-N 0 2 317.744 2.504 20 0 DFADLN CCc1nc(NS(=O)(=O)C[C@@H](C)OC)sc1C(C)(C)C ZINC000414468948 295803856 /nfs/dbraw/zinc/80/38/56/295803856.db2.gz HPETZHOGADWFKI-SECBINFHSA-N 0 2 320.480 2.780 20 0 DFADLN CC(C)Oc1ncccc1NC(=O)c1ccnc(-n2cccn2)c1 ZINC000150723128 186060339 /nfs/dbraw/zinc/06/03/39/186060339.db2.gz SOXWNXXULHIYRK-UHFFFAOYSA-N 0 2 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O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)C(F)C(F)(F)F ZINC000290345067 426747915 /nfs/dbraw/zinc/74/79/15/426747915.db2.gz DYTMSTJOHCXFIT-RKDXNWHRSA-N 0 2 317.641 2.529 20 0 DFADLN CCOC[C@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000274603599 426800636 /nfs/dbraw/zinc/80/06/36/426800636.db2.gz LZPMHTPREJSXDO-VIFPVBQESA-N 0 2 301.745 2.683 20 0 DFADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2cncc(OC)c2)[nH]n1 ZINC000282013504 426812589 /nfs/dbraw/zinc/81/25/89/426812589.db2.gz OPNUHRBRXHAAOP-SNVBAGLBSA-N 0 2 324.406 2.518 20 0 DFADLN COCc1cccc(S(=O)(=O)Nc2cc(C(C)C)on2)c1 ZINC000267085402 426821102 /nfs/dbraw/zinc/82/11/02/426821102.db2.gz RBJAPILKTUSXCK-UHFFFAOYSA-N 0 2 310.375 2.745 20 0 DFADLN Cc1ccc(N2CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC000290710480 426823214 /nfs/dbraw/zinc/82/32/14/426823214.db2.gz DWLFPGCKLIIMOG-AAEUAGOBSA-N 0 2 318.314 2.980 20 0 DFADLN Cc1ccc(N2CCC[C@H](NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC000290710480 426823218 /nfs/dbraw/zinc/82/32/18/426823218.db2.gz DWLFPGCKLIIMOG-AAEUAGOBSA-N 0 2 318.314 2.980 20 0 DFADLN Cc1ccc(N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1 ZINC000290756816 426831927 /nfs/dbraw/zinc/83/19/27/426831927.db2.gz QCYOYTZKXPKBQJ-GFCCVEGCSA-N 0 2 304.287 2.544 20 0 DFADLN Cc1ccc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000290756816 426831933 /nfs/dbraw/zinc/83/19/33/426831933.db2.gz QCYOYTZKXPKBQJ-GFCCVEGCSA-N 0 2 304.287 2.544 20 0 DFADLN Cc1ncc(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)s1 ZINC000295161751 426843481 /nfs/dbraw/zinc/84/34/81/426843481.db2.gz DQDLNRSDCLOQEV-LBPRGKRZSA-N 0 2 324.427 2.756 20 0 DFADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC=C(Br)C1 ZINC000282170849 426843839 /nfs/dbraw/zinc/84/38/39/426843839.db2.gz DZMUCHNBMQAHHW-UHFFFAOYSA-N 0 2 318.117 2.795 20 0 DFADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@@H]1CCCS1 ZINC000267242813 426853769 /nfs/dbraw/zinc/85/37/69/426853769.db2.gz XZSKSBUFDNPIIA-VIFPVBQESA-N 0 2 310.329 2.584 20 0 DFADLN CCCCCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)C(C)C ZINC000179443538 426790350 /nfs/dbraw/zinc/79/03/50/426790350.db2.gz GZCLENJTRWCCQG-UHFFFAOYSA-N 0 2 304.394 2.715 20 0 DFADLN COc1ccc(N2CC(=O)C(C(=O)NCC3(C)CCC3)=N2)cc1 ZINC000181167565 426921548 /nfs/dbraw/zinc/92/15/48/426921548.db2.gz PESBXGWEDZYZEJ-UHFFFAOYSA-N 0 2 315.373 2.507 20 0 DFADLN CCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)s1 ZINC000267300012 426865891 /nfs/dbraw/zinc/86/58/91/426865891.db2.gz AWZLVSJQCKAZAK-UHFFFAOYSA-N 0 2 303.434 2.525 20 0 DFADLN CO[C@@H](CS(=O)(=O)Nc1ccn(C(C)C)n1)c1ccccc1 ZINC000295226072 426869211 /nfs/dbraw/zinc/86/92/11/426869211.db2.gz RZRUHEZQRPVPRV-AWEZNQCLSA-N 0 2 323.418 2.593 20 0 DFADLN CO[C@H](C)CS(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000295272207 426885271 /nfs/dbraw/zinc/88/52/71/426885271.db2.gz JSPCBMIGTXBHEW-SNVBAGLBSA-N 0 2 312.416 2.587 20 0 DFADLN Cc1cccc(S(=O)(=O)Nc2noc(C3CC3)n2)c1Cl ZINC000180782667 426888523 /nfs/dbraw/zinc/88/85/23/426888523.db2.gz LRPBBWSRJNAQGO-UHFFFAOYSA-N 0 2 313.766 2.710 20 0 DFADLN O=C(Nc1cccc(O)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000180881248 426898439 /nfs/dbraw/zinc/89/84/39/426898439.db2.gz VIIKNOVMBWCKMM-UHFFFAOYSA-N 0 2 313.288 2.675 20 0 DFADLN Cc1cccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1F ZINC000181052385 426909603 /nfs/dbraw/zinc/90/96/03/426909603.db2.gz DJIRPAQSYRNKEQ-UHFFFAOYSA-N 0 2 323.321 2.724 20 0 DFADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)CC3CC3)=N2)cc1 ZINC000181076048 426911330 /nfs/dbraw/zinc/91/13/30/426911330.db2.gz PAUKAUNGYNPOIJ-NSHDSACASA-N 0 2 315.373 2.505 20 0 DFADLN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000337738405 426947755 /nfs/dbraw/zinc/94/77/55/426947755.db2.gz KBFFYXLMKDKUNP-VIFPVBQESA-N 0 2 300.293 2.503 20 0 DFADLN C[NH+](C)[C@@]1(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCSC1 ZINC000275926772 426948510 /nfs/dbraw/zinc/94/85/10/426948510.db2.gz WVQDBLLYWQRXHB-NVXWUHKLSA-N 0 2 316.474 2.526 20 0 DFADLN Cc1ccc(S(=O)(=O)Nc2nccc3sccc32)cn1 ZINC000337743593 426950056 /nfs/dbraw/zinc/95/00/56/426950056.db2.gz CBEAPWREPWAKSH-UHFFFAOYSA-N 0 2 305.384 2.801 20 0 DFADLN CC(C)n1nccc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000337752883 426954128 /nfs/dbraw/zinc/95/41/28/426954128.db2.gz GSCHCYJBMBHFGY-UHFFFAOYSA-N 0 2 316.386 2.813 20 0 DFADLN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000317339420 426954901 /nfs/dbraw/zinc/95/49/01/426954901.db2.gz YTMZEACSLYRDFS-GFCCVEGCSA-N 0 2 320.776 2.564 20 0 DFADLN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000317339420 426954905 /nfs/dbraw/zinc/95/49/05/426954905.db2.gz YTMZEACSLYRDFS-GFCCVEGCSA-N 0 2 320.776 2.564 20 0 DFADLN CO[C@H]1CN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CC[C@H]1C ZINC000189821881 426957822 /nfs/dbraw/zinc/95/78/22/426957822.db2.gz JYJJXYNJYJHHRD-ABAIWWIYSA-N 0 2 314.385 2.746 20 0 DFADLN Cc1cc(C(=O)CS(=O)(=O)c2ccc(C)cc2C)c(C)n1C ZINC000320025837 426963065 /nfs/dbraw/zinc/96/30/65/426963065.db2.gz GYUSQVXPMMZIJF-UHFFFAOYSA-N 0 2 319.426 2.915 20 0 DFADLN CCCc1cc(NS(=O)(=O)c2cnc3ccccc3c2)[nH]n1 ZINC000337779000 426965849 /nfs/dbraw/zinc/96/58/49/426965849.db2.gz RSTMOIKAZVZYSQ-UHFFFAOYSA-N 0 2 316.386 2.711 20 0 DFADLN COc1ccc(C[C@H](C)CNc2nc([C@H](C)OC)ns2)cc1 ZINC000337784389 426970011 /nfs/dbraw/zinc/97/00/11/426970011.db2.gz AIUDOUOPQSOTIV-RYUDHWBXSA-N 0 2 321.446 2.967 20 0 DFADLN COc1ccccc1NS(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000295467527 426970937 /nfs/dbraw/zinc/97/09/37/426970937.db2.gz XTBWSJDHLWSGAT-MRXNPFEDSA-N 0 2 321.398 2.825 20 0 DFADLN CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000324385294 426976935 /nfs/dbraw/zinc/97/69/35/426976935.db2.gz LGMHKMXZZAWVLW-CXAGYDPISA-N 0 2 318.417 2.934 20 0 DFADLN CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000324385294 426976937 /nfs/dbraw/zinc/97/69/37/426976937.db2.gz LGMHKMXZZAWVLW-CXAGYDPISA-N 0 2 318.417 2.934 20 0 DFADLN Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])n1 ZINC000324489618 426978659 /nfs/dbraw/zinc/97/86/59/426978659.db2.gz IJNYSPOQZIYVEK-IUODEOHRSA-N 0 2 315.373 2.730 20 0 DFADLN Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])n1 ZINC000324489618 426978669 /nfs/dbraw/zinc/97/86/69/426978669.db2.gz IJNYSPOQZIYVEK-IUODEOHRSA-N 0 2 315.373 2.730 20 0 DFADLN CC[C@H](C)CONC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000291776402 426984391 /nfs/dbraw/zinc/98/43/91/426984391.db2.gz NEOFIGPHTDQYMH-VIFPVBQESA-N 0 2 324.406 2.516 20 0 DFADLN O=S(=O)(Nc1cc(C2CC2)n[nH]1)c1ccc(C2CC2)cc1 ZINC000295380955 426935173 /nfs/dbraw/zinc/93/51/73/426935173.db2.gz TYQBDCUMGVIEGH-UHFFFAOYSA-N 0 2 303.387 2.965 20 0 DFADLN O=S(=O)(Nc1cc(C2CC2)[nH]n1)c1ccc(C2CC2)cc1 ZINC000295380955 426935178 /nfs/dbraw/zinc/93/51/78/426935178.db2.gz TYQBDCUMGVIEGH-UHFFFAOYSA-N 0 2 303.387 2.965 20 0 DFADLN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)nc1 ZINC000181313171 426935732 /nfs/dbraw/zinc/93/57/32/426935732.db2.gz OKWQQOOZUKUCTJ-UHFFFAOYSA-N 0 2 317.292 2.605 20 0 DFADLN O=C(c1cccc(Cl)c1F)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000329168755 427058586 /nfs/dbraw/zinc/05/85/86/427058586.db2.gz JDTMWJUCSLUITC-JTQLQIEISA-N 0 2 324.743 2.670 20 0 DFADLN CCCc1nc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)co1 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CC[C@](C)(C(=O)[O-])[N@@H+](Cc1nc(CC(C)C)no1)CC1CC1 ZINC000580217753 318385006 /nfs/dbraw/zinc/38/50/06/318385006.db2.gz AFZYKTZHQAKOFQ-MRXNPFEDSA-N 0 2 309.410 2.733 20 0 DFADLN CC[C@](C)(C(=O)[O-])[N@H+](Cc1nc(CC(C)C)no1)CC1CC1 ZINC000580217753 318385007 /nfs/dbraw/zinc/38/50/07/318385007.db2.gz AFZYKTZHQAKOFQ-MRXNPFEDSA-N 0 2 309.410 2.733 20 0 DFADLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1c(F)cccc1Br ZINC000394701833 323351231 /nfs/dbraw/zinc/35/12/31/323351231.db2.gz ZNFXUPMYYGJALQ-LLVKDONJSA-N 0 2 302.143 2.637 20 0 DFADLN O=C([O-])[C@H]1CCC[N@H+]1Cc1c(F)cccc1Br ZINC000394701833 323351233 /nfs/dbraw/zinc/35/12/33/323351233.db2.gz ZNFXUPMYYGJALQ-LLVKDONJSA-N 0 2 302.143 2.637 20 0 DFADLN CC(C)[C@@H]1OCCC[C@@H]1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000580555984 323403251 /nfs/dbraw/zinc/40/32/51/323403251.db2.gz VAYSNUWQZVKOTQ-QWRGUYRKSA-N 0 2 311.451 2.647 20 0 DFADLN C[C@@]1(C(=O)[O-])CCCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000580569567 323406083 /nfs/dbraw/zinc/40/60/83/323406083.db2.gz VPKZTRGVKAVOOV-QGZVFWFLSA-N 0 2 301.390 2.534 20 0 DFADLN O=C([O-])CSCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000580688439 323419923 /nfs/dbraw/zinc/41/99/23/323419923.db2.gz KNJREQPMZCGMAI-UHFFFAOYSA-N 0 2 318.354 2.630 20 0 DFADLN COc1ccc(-c2[nH+]c3n(c2C(=O)[O-])CCCC3)cc1OC ZINC000581202876 323490875 /nfs/dbraw/zinc/49/08/75/323490875.db2.gz XVEJZLYSVOHUSX-UHFFFAOYSA-N 0 2 302.330 2.602 20 0 DFADLN CC(C)(C)c1nc(=NC(=O)N2CC[C@@H](CC3CC3)C2)s[nH]1 ZINC000582648768 323709707 /nfs/dbraw/zinc/70/97/07/323709707.db2.gz XGXCGNRDIDTNHU-NSHDSACASA-N 0 2 308.451 2.911 20 0 DFADLN CCn1cc[nH+]c1CN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000583698628 323900192 /nfs/dbraw/zinc/90/01/92/323900192.db2.gz JFPCLSYKZWWANL-UHFFFAOYSA-N 0 2 323.343 2.658 20 0 DFADLN Cc1ccsc1-c1nc(=NC(=O)[C@@H]2CCO[C@H](C)C2)s[nH]1 ZINC000331900474 534453997 /nfs/dbraw/zinc/45/39/97/534453997.db2.gz IVGJLEDPQWIZRA-NXEZZACHSA-N 0 2 323.443 2.751 20 0 DFADLN O=C([O-])CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000320219530 534500556 /nfs/dbraw/zinc/50/05/56/534500556.db2.gz TTWYVRBXXVENHM-UHFFFAOYSA-N 0 2 307.353 2.964 20 0 DFADLN CC[C@@H](C)c1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)on1 ZINC000163523069 522423959 /nfs/dbraw/zinc/42/39/59/522423959.db2.gz GBNLWUCFDVZFTC-MRVPVSSYSA-N 0 2 301.306 2.819 20 0 DFADLN O=C(NOCC1CC1)c1cc(Cl)cc(Br)c1O ZINC000295652951 534709531 /nfs/dbraw/zinc/70/95/31/534709531.db2.gz RVBVWHNOTJQRMN-UHFFFAOYSA-N 0 2 320.570 2.880 20 0 DFADLN O=C(Cc1csc(-c2ccccc2)n1)NO[C@H]1CCCCO1 ZINC000299571951 534747807 /nfs/dbraw/zinc/74/78/07/534747807.db2.gz XFTHOIPBMYHGIA-HNNXBMFYSA-N 0 2 318.398 2.927 20 0 DFADLN Cc1c[nH]cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1=O ZINC000361317772 526003374 /nfs/dbraw/zinc/00/33/74/526003374.db2.gz CDQDWZBFJZYEME-UHFFFAOYSA-N 0 2 313.140 2.948 20 0 DFADLN C[C@@H]1C(=O)CC[C@H]1CC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000366378115 526198303 /nfs/dbraw/zinc/19/83/03/526198303.db2.gz SKGGLVMESIIPFT-IUCAKERBSA-N 0 2 321.427 2.632 20 0 DFADLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cccc(F)c1Br ZINC000156956686 526324963 /nfs/dbraw/zinc/32/49/63/526324963.db2.gz UCLKXJUGKZHYGV-SNVBAGLBSA-N 0 2 302.143 2.637 20 0 DFADLN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(F)c1Br ZINC000156956686 526324967 /nfs/dbraw/zinc/32/49/67/526324967.db2.gz UCLKXJUGKZHYGV-SNVBAGLBSA-N 0 2 302.143 2.637 20 0 DFADLN O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000365678776 526616426 /nfs/dbraw/zinc/61/64/26/526616426.db2.gz MNNPEEQBQRXSCU-NSHDSACASA-N 0 2 323.755 2.859 20 0 DFADLN CC(C)(C)c1nc(=NC(=O)N2Cc3cccc(F)c3C2)s[nH]1 ZINC000331794316 526853955 /nfs/dbraw/zinc/85/39/55/526853955.db2.gz QLBBTIPOYIMAOB-UHFFFAOYSA-N 0 2 320.393 2.944 20 0 DFADLN CC(C)(CO)ONC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000297344958 527209757 /nfs/dbraw/zinc/20/97/57/527209757.db2.gz XUVZQTAUFLMYPC-UHFFFAOYSA-N 0 2 311.809 2.971 20 0 DFADLN CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000328776602 527813404 /nfs/dbraw/zinc/81/34/04/527813404.db2.gz LCWHSBSAHGLPQY-MGPQQGTHSA-N 0 2 320.437 2.679 20 0 DFADLN CC[C@H]1CC[C@H](C(=O)N=c2nc(-c3sccc3C)[nH]s2)O1 ZINC000331375104 529251039 /nfs/dbraw/zinc/25/10/39/529251039.db2.gz CVUSJIDUTIZGKH-VHSXEESVSA-N 0 2 323.443 2.893 20 0 DFADLN CCC[C@H]1C[C@H]1NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000354551467 535752022 /nfs/dbraw/zinc/75/20/22/535752022.db2.gz LWXISNQMXWHRAF-SMDDNHRTSA-N 0 2 315.373 2.505 20 0 DFADLN CN(CCC(F)(F)F)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000362605113 536316840 /nfs/dbraw/zinc/31/68/40/536316840.db2.gz ZUYKBFJHCMPSFY-UHFFFAOYSA-N 0 2 313.279 2.602 20 0 DFADLN Cc1cc(NC(=O)c2nc(-c3cnc4ccccc4c3)no2)no1 ZINC000680682897 545528598 /nfs/dbraw/zinc/52/85/98/545528598.db2.gz FMGHSZUSLVMXNL-UHFFFAOYSA-N 0 2 321.296 2.834 20 0 DFADLN COc1cc(-c2noc(C(=O)Nc3cc(C)on3)n2)ccc1C ZINC000680698051 545530572 /nfs/dbraw/zinc/53/05/72/545530572.db2.gz VTKKKVBXBIRBNP-UHFFFAOYSA-N 0 2 314.301 2.602 20 0 DFADLN Cc1cc(NC(=O)c2nc(-c3cccc4cnccc43)no2)no1 ZINC000680740858 545536361 /nfs/dbraw/zinc/53/63/61/545536361.db2.gz BUKZYXHDYRUNPK-UHFFFAOYSA-N 0 2 321.296 2.834 20 0 DFADLN CC(C)(CNC(=O)c1cc(F)c(O)c(F)c1)[C@H]1CCCCO1 ZINC000680817534 545546555 /nfs/dbraw/zinc/54/65/55/545546555.db2.gz BEUAQYUVVJSXSQ-CYBMUJFWSA-N 0 2 313.344 2.996 20 0 DFADLN Cc1cc(S(=O)(=O)Nc2ccnn2C(C)(C)C)ccc1F ZINC000681548384 545671001 /nfs/dbraw/zinc/67/10/01/545671001.db2.gz INGCTOPDTHKNAW-UHFFFAOYSA-N 0 2 311.382 2.886 20 0 DFADLN Cn1cc(-c2[nH]ncc2C(=O)NCCCCc2ccccc2)cn1 ZINC000681953332 545758355 /nfs/dbraw/zinc/75/83/55/545758355.db2.gz BHBRMOVPUBLSMT-UHFFFAOYSA-N 0 2 323.400 2.563 20 0 DFADLN CC(=O)c1cccc(S(=O)(=O)Nc2ccnn2C(C)(C)C)c1 ZINC000682422507 545845008 /nfs/dbraw/zinc/84/50/08/545845008.db2.gz LKTCVTOCXCZLPA-UHFFFAOYSA-N 0 2 321.402 2.642 20 0 DFADLN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cccc2[nH]nnc21 ZINC000682962934 545950238 /nfs/dbraw/zinc/95/02/38/545950238.db2.gz CVKGWONFYCEABB-LBPRGKRZSA-N 0 2 314.389 2.570 20 0 DFADLN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(O)c(F)c2)n[nH]1 ZINC000683122065 545976109 /nfs/dbraw/zinc/97/61/09/545976109.db2.gz UATMXUAQTIXSGB-RKDXNWHRSA-N 0 2 306.341 2.654 20 0 DFADLN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1c(O)cc(F)cc1F ZINC000685862888 546400469 /nfs/dbraw/zinc/40/04/69/546400469.db2.gz SRCROPQOZLNVCD-VXJOIVPMSA-N 0 2 305.280 2.922 20 0 DFADLN Cc1[nH]nc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1O ZINC000685864443 546401526 /nfs/dbraw/zinc/40/15/26/546401526.db2.gz ZQCNPUNDNVKSNE-DTORHVGOSA-N 0 2 305.300 2.617 20 0 DFADLN Cc1csc([C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3)CCO2)n1 ZINC000821146758 597345943 /nfs/dbraw/zinc/34/59/43/597345943.db2.gz HZQMQKSZNCHZCB-AWEZNQCLSA-N 0 2 318.398 2.723 20 0 DFADLN Cc1csc([C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3)CCO2)n1 ZINC000821146758 597345948 /nfs/dbraw/zinc/34/59/48/597345948.db2.gz HZQMQKSZNCHZCB-AWEZNQCLSA-N 0 2 318.398 2.723 20 0 DFADLN O=C([O-])[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1cccc(Cl)c1 ZINC000739306595 600431189 /nfs/dbraw/zinc/43/11/89/600431189.db2.gz GIPFLFSHMWAGIX-HNNXBMFYSA-N 0 2 324.808 2.504 20 0 DFADLN Cc1ccc(OCCO[NH+]=C(N)c2cccc(C(=O)[O-])c2)cc1 ZINC000832951057 600807229 /nfs/dbraw/zinc/80/72/29/600807229.db2.gz FSLFWSAKMZYMJV-UHFFFAOYSA-N 0 2 314.341 2.619 20 0 DFADLN C[C@]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)(C(=O)[O-])C1CC1 ZINC000827741039 601031049 /nfs/dbraw/zinc/03/10/49/601031049.db2.gz GWYGYCPAALBUGL-OAHLLOKOSA-N 0 2 321.764 2.733 20 0 DFADLN CC(C)c1nnc(C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000827168586 601202949 /nfs/dbraw/zinc/20/29/49/601202949.db2.gz NIYALYULXOJLRZ-SMDDNHRTSA-N 0 2 303.362 2.745 20 0 DFADLN Cc1ccc([C@H](CNc2[nH+]c(C)nc3[nH]ccc32)C(=O)[O-])cc1 ZINC000832923071 601253332 /nfs/dbraw/zinc/25/33/32/601253332.db2.gz HCVCKHWMPPBUQD-AWEZNQCLSA-N 0 2 310.357 2.855 20 0 DFADLN Cc1nc2[nH]ccc2c(NCCc2ccc(NC(=O)[O-])cc2)[nH+]1 ZINC000833003706 601254172 /nfs/dbraw/zinc/25/41/72/601254172.db2.gz VXFRWSHYTKGCDI-UHFFFAOYSA-N 0 2 311.345 2.962 20 0 DFADLN CC[C@]([NH2+]Cc1cccc(OC)n1)(C(=O)[O-])c1ccccc1 ZINC000828988745 601380295 /nfs/dbraw/zinc/38/02/95/601380295.db2.gz CALXUJOGGSTUFV-QGZVFWFLSA-N 0 2 300.358 2.570 20 0 DFADLN CCc1ccc(-c2noc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)n2)cc1 ZINC000830228687 601601311 /nfs/dbraw/zinc/60/13/11/601601311.db2.gz AHANXCBEIZRESF-AWEZNQCLSA-N 0 2 317.389 2.888 20 0 DFADLN Cc1ccccc1C(N)=[NH+]OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832982762 601627892 /nfs/dbraw/zinc/62/78/92/601627892.db2.gz YBQCQCVKOZJFMK-UHFFFAOYSA-N 0 2 302.305 2.879 20 0 DFADLN CC(C)Cc1noc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000826912880 601653623 /nfs/dbraw/zinc/65/36/23/601653623.db2.gz JVMJFUFFIYHAGJ-MLGOLLRUSA-N 0 2 317.389 2.820 20 0 DFADLN COC(=O)c1sccc1C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000831479081 601806704 /nfs/dbraw/zinc/80/67/04/601806704.db2.gz IUFMRAOXRUKMOQ-UHFFFAOYSA-N 0 2 319.382 2.865 20 0 DFADLN COC(=O)c1sccc1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000831479081 601806706 /nfs/dbraw/zinc/80/67/06/601806706.db2.gz IUFMRAOXRUKMOQ-UHFFFAOYSA-N 0 2 319.382 2.865 20 0 DFADLN Cc1nc(CO[NH+]=C(N)c2cccc(C(=O)[O-])c2)sc1C ZINC000832999158 601827158 /nfs/dbraw/zinc/82/71/58/601827158.db2.gz FRRRAFIBJUCLHR-UHFFFAOYSA-N 0 2 305.359 2.505 20 0 DFADLN Cc1csc([C@H]2C[N@H+](Cc3ccc(C(=O)[O-])s3)CCO2)n1 ZINC000832989644 601948002 /nfs/dbraw/zinc/94/80/02/601948002.db2.gz PTDSFAVBDOHLDF-LLVKDONJSA-N 0 2 324.427 2.785 20 0 DFADLN Cc1csc([C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])s3)CCO2)n1 ZINC000832989644 601948004 /nfs/dbraw/zinc/94/80/04/601948004.db2.gz PTDSFAVBDOHLDF-LLVKDONJSA-N 0 2 324.427 2.785 20 0 DFADLN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000739589042 601966034 /nfs/dbraw/zinc/96/60/34/601966034.db2.gz VEENRPDOURDZDV-ZDUSSCGKSA-N 0 2 322.796 2.562 20 0 DFADLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000739589042 601966036 /nfs/dbraw/zinc/96/60/36/601966036.db2.gz VEENRPDOURDZDV-ZDUSSCGKSA-N 0 2 322.796 2.562 20 0 DFADLN Cc1ccc(-c2nnc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)o2)cc1 ZINC000832908695 602226785 /nfs/dbraw/zinc/22/67/85/602226785.db2.gz PQXKNSFSVPNRKH-CYBMUJFWSA-N 0 2 303.362 2.634 20 0 DFADLN 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