smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000159595920 186129619 /nfs/dbraw/zinc/12/96/19/186129619.db2.gz GDCIJSZHFZISEY-UHFFFAOYSA-N -1 3 305.285 2.656 20 70 DFIDHM CC(C)c1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000159595920 186129620 /nfs/dbraw/zinc/12/96/20/186129620.db2.gz GDCIJSZHFZISEY-UHFFFAOYSA-N -1 3 305.285 2.656 20 70 DFIDHM COc1cccc(C(=O)N2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000160971261 197454029 /nfs/dbraw/zinc/45/40/29/197454029.db2.gz VRRSBEPJCDFMSK-UHFFFAOYSA-N -1 3 307.390 2.821 20 70 DFIDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000160194309 267536458 /nfs/dbraw/zinc/53/64/58/267536458.db2.gz RAASIGCDTCUXPD-UHFFFAOYSA-N -1 3 315.822 2.817 20 70 DFIDHM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000161011031 426005732 /nfs/dbraw/zinc/00/57/32/426005732.db2.gz PYCMOIMWDACFOK-UHFFFAOYSA-N -1 3 324.229 2.841 20 70 DFIDHM COc1cccc(C(=O)N2CC=C(C(F)(F)F)CC2)c1[O-] ZINC000160601643 425988838 /nfs/dbraw/zinc/98/88/38/425988838.db2.gz OCCIVXXFXSFRJW-UHFFFAOYSA-N -1 3 301.264 2.735 20 70 DFIDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000160768262 425995291 /nfs/dbraw/zinc/99/52/91/425995291.db2.gz UXKCYCRFYNJICL-UHFFFAOYSA-N -1 3 324.764 2.829 20 70 DFIDHM Cc1ccccc1OCCCC(=O)[N-]OCc1cccnc1 ZINC000160867512 425999305 /nfs/dbraw/zinc/99/93/05/425999305.db2.gz DAIGWUGDDDDZEM-UHFFFAOYSA-N -1 3 300.358 2.797 20 70 DFIDHM CC(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000159430625 425960209 /nfs/dbraw/zinc/96/02/09/425960209.db2.gz VEEDBRMQIDUBRU-MRXNPFEDSA-N -1 3 322.364 2.697 20 70 DFIDHM CCc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000159633637 425964539 /nfs/dbraw/zinc/96/45/39/425964539.db2.gz XEVFAZQBMTUFCN-MDZDMXLPSA-N -1 3 309.329 2.674 20 70 DFIDHM CCc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000159633637 425964542 /nfs/dbraw/zinc/96/45/42/425964542.db2.gz XEVFAZQBMTUFCN-MDZDMXLPSA-N -1 3 309.329 2.674 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(F)cc(F)c3)[n-]2)o1 ZINC000160243139 425977783 /nfs/dbraw/zinc/97/77/83/425977783.db2.gz JWHGBVVUPOJAFA-UHFFFAOYSA-N -1 3 304.256 2.904 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(F)cc(F)c3)n2)o1 ZINC000160243139 425977784 /nfs/dbraw/zinc/97/77/84/425977784.db2.gz JWHGBVVUPOJAFA-UHFFFAOYSA-N -1 3 304.256 2.904 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(F)cc(F)c3)n[n-]2)o1 ZINC000160243139 425977787 /nfs/dbraw/zinc/97/77/87/425977787.db2.gz JWHGBVVUPOJAFA-UHFFFAOYSA-N -1 3 304.256 2.904 20 70 DFIDHM COC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2C)c1[O-] ZINC000161415745 426023599 /nfs/dbraw/zinc/02/35/99/426023599.db2.gz OOWHTUIVEJUSEP-UHFFFAOYSA-N -1 3 310.309 2.611 20 70 DFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1nccs1 ZINC000159982302 295384636 /nfs/dbraw/zinc/38/46/36/295384636.db2.gz NAPPXNKOOFDWMJ-SNVBAGLBSA-N -1 3 318.370 2.851 20 70 DFIDHM CCc1ccc([O-])c(C(=O)Nc2cccc(CC(=O)OC)c2)c1 ZINC000160492684 295392049 /nfs/dbraw/zinc/39/20/49/295392049.db2.gz VINYMTQTSIBFEB-UHFFFAOYSA-N -1 3 313.353 2.922 20 70 DFIDHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccn1 ZINC000160557552 295393106 /nfs/dbraw/zinc/39/31/06/295393106.db2.gz KOSOXWGFIXZOOA-UHFFFAOYSA-N -1 3 311.316 2.931 20 70 DFIDHM N#CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000160959336 333697725 /nfs/dbraw/zinc/69/77/25/333697725.db2.gz CIYYMQJHDUQGCO-UHFFFAOYSA-N -1 3 312.803 2.889 20 70 DFIDHM [O-]c1ccccc1CN(Cc1ccc(CO)o1)C[C@@H]1CCCO1 ZINC000160189946 527632446 /nfs/dbraw/zinc/63/24/46/527632446.db2.gz XDSMTVNCPWJXSZ-HNNXBMFYSA-N -1 3 317.385 2.659 20 70 DFIDHM COc1cc(C(=O)N[C@H]2CCCc3occc32)cc(OC)c1[O-] ZINC000159742070 186139361 /nfs/dbraw/zinc/13/93/61/186139361.db2.gz HLVLLTHWYYPBLS-LBPRGKRZSA-N -1 3 317.341 2.810 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3c(C)noc3C)[n-]2)o1 ZINC000160270242 197396954 /nfs/dbraw/zinc/39/69/54/197396954.db2.gz ZRXSYIDSXPGZGA-UHFFFAOYSA-N -1 3 315.333 2.549 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3c(C)noc3C)n2)o1 ZINC000160270242 197396955 /nfs/dbraw/zinc/39/69/55/197396955.db2.gz ZRXSYIDSXPGZGA-UHFFFAOYSA-N -1 3 315.333 2.549 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)CCc3c(C)noc3C)n[n-]2)o1 ZINC000160270242 197396957 /nfs/dbraw/zinc/39/69/57/197396957.db2.gz ZRXSYIDSXPGZGA-UHFFFAOYSA-N -1 3 315.333 2.549 20 70 DFIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000160146731 197388535 /nfs/dbraw/zinc/38/85/35/197388535.db2.gz BVGPVXITTYNSTA-CQSZACIVSA-N -1 3 302.334 2.656 20 70 DFIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000160146731 197388537 /nfs/dbraw/zinc/38/85/37/197388537.db2.gz BVGPVXITTYNSTA-CQSZACIVSA-N -1 3 302.334 2.656 20 70 DFIDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(O)CC1 ZINC000159908537 197373007 /nfs/dbraw/zinc/37/30/07/197373007.db2.gz OXJMPOYKHNIWRL-UHFFFAOYSA-N -1 3 313.353 2.781 20 70 DFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H]4CCC[C@H]4C3)c[n-]c12 ZINC000159420683 291917028 /nfs/dbraw/zinc/91/70/28/291917028.db2.gz LYDYKMQSEUCHDA-RYUDHWBXSA-N -1 3 314.360 2.848 20 70 DFIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccc(OC)cc2)n1 ZINC000160662166 425990737 /nfs/dbraw/zinc/99/07/37/425990737.db2.gz XQDHXWDCFOGWRP-GFCCVEGCSA-N -1 3 301.390 2.946 20 70 DFIDHM Cc1noc(C)c1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000160996990 426004613 /nfs/dbraw/zinc/00/46/13/426004613.db2.gz KSFQBZGQRDPPRN-UHFFFAOYSA-N -1 3 324.255 2.649 20 70 DFIDHM COc1ccc([O-])c(C(=O)N2CCOC3(C2)CCCCCC3)c1 ZINC000159389383 425958860 /nfs/dbraw/zinc/95/88/60/425958860.db2.gz HTMZFLRUHROQHU-UHFFFAOYSA-N -1 3 319.401 2.966 20 70 DFIDHM C[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2[O-])O1 ZINC000159878845 425968958 /nfs/dbraw/zinc/96/89/58/425968958.db2.gz UBDQIWFYCUUYNB-RDDDGLTNSA-N -1 3 300.152 2.661 20 70 DFIDHM COc1cccc(COCCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000159974106 425971270 /nfs/dbraw/zinc/97/12/70/425971270.db2.gz VTXNCNZWCZMUPD-UHFFFAOYSA-N -1 3 315.369 2.656 20 70 DFIDHM COc1cccc(COCCNC(=O)c2cccc(C)c2[O-])c1 ZINC000160110145 425974248 /nfs/dbraw/zinc/97/42/48/425974248.db2.gz JHYJDOUNKDSFGE-UHFFFAOYSA-N -1 3 315.369 2.656 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)c3csc(C4CC4)n3)[n-]2)o1 ZINC000160263827 425977408 /nfs/dbraw/zinc/97/74/08/425977408.db2.gz SUXFWZHDIWDFQI-UHFFFAOYSA-N -1 3 315.358 2.959 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3csc(C4CC4)n3)n2)o1 ZINC000160263827 425977411 /nfs/dbraw/zinc/97/74/11/425977411.db2.gz SUXFWZHDIWDFQI-UHFFFAOYSA-N -1 3 315.358 2.959 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)CC[C@H]3CC[C@H](C)O3)[n-]2)o1 ZINC000160314869 425978811 /nfs/dbraw/zinc/97/88/11/425978811.db2.gz HYHDJGUSDYBIOY-GXSJLCMTSA-N -1 3 304.350 2.659 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@H]3CC[C@H](C)O3)n2)o1 ZINC000160314869 425978815 /nfs/dbraw/zinc/97/88/15/425978815.db2.gz HYHDJGUSDYBIOY-GXSJLCMTSA-N -1 3 304.350 2.659 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)CC[C@H]3CC[C@H](C)O3)n[n-]2)o1 ZINC000160314869 425978817 /nfs/dbraw/zinc/97/88/17/425978817.db2.gz HYHDJGUSDYBIOY-GXSJLCMTSA-N -1 3 304.350 2.659 20 70 DFIDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)CO1 ZINC000217780247 288209074 /nfs/dbraw/zinc/20/90/74/288209074.db2.gz NFLDLAVFWREDCA-VHSXEESVSA-N -1 3 300.196 2.764 20 70 DFIDHM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1nccs1 ZINC000159947067 295384178 /nfs/dbraw/zinc/38/41/78/295384178.db2.gz SBWGJHQYVRLTQX-NSHDSACASA-N -1 3 318.370 2.851 20 70 DFIDHM COc1cc(C(=O)N(CC2CC2)CC2CC2)cc(OC)c1[O-] ZINC000159988022 295385259 /nfs/dbraw/zinc/38/52/59/295385259.db2.gz DVNNOBKGDVECJU-UHFFFAOYSA-N -1 3 305.374 2.672 20 70 DFIDHM CC(C)n1cc(C#N)c([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000160984577 295397044 /nfs/dbraw/zinc/39/70/44/295397044.db2.gz PBMHAVWNMJCNCN-UHFFFAOYSA-N -1 3 315.283 2.738 20 70 DFIDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000160877970 332892791 /nfs/dbraw/zinc/89/27/91/332892791.db2.gz UUFJYEHPLDXUQY-ZETCQYMHSA-N -1 3 323.201 2.582 20 70 DFIDHM COc1cc(C(=O)N[C@@H]2CCCc3occc32)cc(OC)c1[O-] ZINC000159741929 186139334 /nfs/dbraw/zinc/13/93/34/186139334.db2.gz HLVLLTHWYYPBLS-GFCCVEGCSA-N -1 3 317.341 2.810 20 70 DFIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000160206983 197392766 /nfs/dbraw/zinc/39/27/66/197392766.db2.gz BNCSPUDBKOEHLU-UHFFFAOYSA-N -1 3 323.817 2.617 20 70 DFIDHM CO[C@H](CNC(=O)c1ccc(O)cc1[O-])c1ccccc1Cl ZINC000159486500 542717633 /nfs/dbraw/zinc/71/76/33/542717633.db2.gz KXGMLHQLWMQQOH-OAHLLOKOSA-N -1 3 321.760 2.869 20 70 DFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3C=CCCC3)c[n-]c12 ZINC000160380197 267537964 /nfs/dbraw/zinc/53/79/64/267537964.db2.gz YKBBVUSVXMICOW-LBPRGKRZSA-N -1 3 300.333 2.814 20 70 DFIDHM Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000160398138 425981544 /nfs/dbraw/zinc/98/15/44/425981544.db2.gz VRAZXMFUEYLNQM-UHFFFAOYSA-N -1 3 306.362 2.696 20 70 DFIDHM C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000160597778 425988546 /nfs/dbraw/zinc/98/85/46/425988546.db2.gz KHKKKJDBPNMJHN-ZCFIWIBFSA-N -1 3 312.700 2.549 20 70 DFIDHM COc1ccc([O-])c(C(=O)NCc2nc(C(C)C)cs2)c1 ZINC000160582632 425988904 /nfs/dbraw/zinc/98/89/04/425988904.db2.gz RIFOMBVJPPVRMB-UHFFFAOYSA-N -1 3 306.387 2.911 20 70 DFIDHM COc1ccc(CN(C)Cc2nc(C)ccc2[O-])c(OC)c1 ZINC000160830270 425998195 /nfs/dbraw/zinc/99/81/95/425998195.db2.gz OANKDXCDELDRLU-UHFFFAOYSA-N -1 3 302.374 2.745 20 70 DFIDHM N#CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000160956737 426002519 /nfs/dbraw/zinc/00/25/19/426002519.db2.gz IFJUHVCFVCYYHZ-UHFFFAOYSA-N -1 3 324.711 2.693 20 70 DFIDHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Oc1ccccc1 ZINC000159938245 425971223 /nfs/dbraw/zinc/97/12/23/425971223.db2.gz ZQKRIKPVMVVOPN-LBPRGKRZSA-N -1 3 318.348 2.798 20 70 DFIDHM COc1ccsc1S(=O)(=O)[N-][C@H](C)c1cccc(O)c1 ZINC000160155329 425974841 /nfs/dbraw/zinc/97/48/41/425974841.db2.gz JUSUNHLTUWKWFO-SECBINFHSA-N -1 3 313.400 2.502 20 70 DFIDHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(=O)c2c1 ZINC000161132347 426009583 /nfs/dbraw/zinc/00/95/83/426009583.db2.gz IAQAIPGZOJEIJL-CHWSQXEVSA-N -1 3 314.385 2.807 20 70 DFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3[C@H](C)CC[C@@H]3C)c[n-]c12 ZINC000160405715 295390803 /nfs/dbraw/zinc/39/08/03/295390803.db2.gz YZUXMVVLJIGEMB-PHIMTYICSA-N -1 3 302.349 2.989 20 70 DFIDHM O=C(/C=C/c1ccc(OC(F)F)cc1)[N-]OCc1cccnc1 ZINC000160850965 295395984 /nfs/dbraw/zinc/39/59/84/295395984.db2.gz VLWCVBDSUBUFBP-VMPITWQZSA-N -1 3 320.295 2.944 20 70 DFIDHM O=C(/C=C/c1ccccc1OC(F)F)[N-]OCc1cccnc1 ZINC000160855663 295396056 /nfs/dbraw/zinc/39/60/56/295396056.db2.gz IOQIHZYNPBQFDP-BQYQJAHWSA-N -1 3 320.295 2.944 20 70 DFIDHM CC(C)n1cc(C#N)c([N-]C(=O)c2occc2Br)n1 ZINC000161146102 295399426 /nfs/dbraw/zinc/39/94/26/295399426.db2.gz BYGHPAVBJCDCKL-UHFFFAOYSA-N -1 3 323.150 2.943 20 70 DFIDHM C[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000160679945 334877974 /nfs/dbraw/zinc/87/79/74/334877974.db2.gz VPHROACQNUBAGZ-ZCFIWIBFSA-N -1 3 312.700 2.549 20 70 DFIDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000160679826 334877980 /nfs/dbraw/zinc/87/79/80/334877980.db2.gz VPHROACQNUBAGZ-LURJTMIESA-N -1 3 312.700 2.549 20 70 DFIDHM Cc1nn(C)cc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000160169650 527692014 /nfs/dbraw/zinc/69/20/14/527692014.db2.gz JXMCUEFFUZQZFK-QGZVFWFLSA-N -1 3 315.417 2.615 20 70 DFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H]4CCC[C@@H]4C3)c[n-]c12 ZINC000159420385 197352402 /nfs/dbraw/zinc/35/24/02/197352402.db2.gz LYDYKMQSEUCHDA-TXEJJXNPSA-N -1 3 314.360 2.848 20 70 DFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H]4CCC[C@@H]4C3)c[n-]c12 ZINC000159420534 291916991 /nfs/dbraw/zinc/91/69/91/291916991.db2.gz LYDYKMQSEUCHDA-VXGBXAGGSA-N -1 3 314.360 2.848 20 70 DFIDHM COC(=O)C(C)(C)c1ccc(NC(=O)[N-]OCC(C)C)cc1 ZINC000160542018 425986117 /nfs/dbraw/zinc/98/61/17/425986117.db2.gz UKIPWEWOFIEVBZ-UHFFFAOYSA-N -1 3 308.378 2.846 20 70 DFIDHM CCc1cc(=O)[n-]c(CN[C@H](c2ccc(OC)cc2)C2CC2)n1 ZINC000160608562 425989916 /nfs/dbraw/zinc/98/99/16/425989916.db2.gz KLRWWSJHXORCFI-SFHVURJKSA-N -1 3 313.401 2.994 20 70 DFIDHM COc1cc(C(=O)N2CCc3ccccc3C2)cc(OC)c1[O-] ZINC000160643905 425990948 /nfs/dbraw/zinc/99/09/48/425990948.db2.gz 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COc1ccccc1-c1nc(NC(=O)C[C@H](C)SC)n[n-]1 ZINC000160832326 425998163 /nfs/dbraw/zinc/99/81/63/425998163.db2.gz RMWHTTJNVJXSRP-VIFPVBQESA-N -1 3 306.391 2.560 20 70 DFIDHM CC(C)c1ccc(CC2CCN(Cc3nc(=O)[n-][nH]3)CC2)cc1 ZINC000159955934 425971322 /nfs/dbraw/zinc/97/13/22/425971322.db2.gz KGMFQBCFEGVLBF-UHFFFAOYSA-N -1 3 314.433 2.676 20 70 DFIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(F)ccc1Cl ZINC000160128603 425974976 /nfs/dbraw/zinc/97/49/76/425974976.db2.gz GBGTWURLKRHWQG-UHFFFAOYSA-N -1 3 303.786 2.948 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)[n-]2)o1 ZINC000160169750 425975319 /nfs/dbraw/zinc/97/53/19/425975319.db2.gz PFLDDCZNLPLDTE-UHFFFAOYSA-N -1 3 304.256 2.904 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(F)cc3F)n2)o1 ZINC000160169750 425975321 /nfs/dbraw/zinc/97/53/21/425975321.db2.gz PFLDDCZNLPLDTE-UHFFFAOYSA-N -1 3 304.256 2.904 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(F)cc3F)n[n-]2)o1 ZINC000160169750 425975322 /nfs/dbraw/zinc/97/53/22/425975322.db2.gz PFLDDCZNLPLDTE-UHFFFAOYSA-N -1 3 304.256 2.904 20 70 DFIDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1F ZINC000160166467 425975483 /nfs/dbraw/zinc/97/54/83/425975483.db2.gz PHUWVNGZGXEHEO-UHFFFAOYSA-N -1 3 316.292 2.773 20 70 DFIDHM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1F ZINC000160166467 425975486 /nfs/dbraw/zinc/97/54/86/425975486.db2.gz PHUWVNGZGXEHEO-UHFFFAOYSA-N -1 3 316.292 2.773 20 70 DFIDHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1F ZINC000160166467 425975487 /nfs/dbraw/zinc/97/54/87/425975487.db2.gz PHUWVNGZGXEHEO-UHFFFAOYSA-N -1 3 316.292 2.773 20 70 DFIDHM COc1ccc([O-])c(C(=O)N(C)c2ccc(OC)c(F)c2)c1 ZINC000159681732 295380448 /nfs/dbraw/zinc/38/04/48/295380448.db2.gz GNIPHRGGEZMJTB-UHFFFAOYSA-N -1 3 305.305 2.825 20 70 DFIDHM CCc1cccc(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000160545431 295392620 /nfs/dbraw/zinc/39/26/20/295392620.db2.gz DFGDNKSOMOFBMC-UHFFFAOYSA-N -1 3 307.357 2.610 20 70 DFIDHM CCc1cccc(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000160545431 295392622 /nfs/dbraw/zinc/39/26/22/295392622.db2.gz DFGDNKSOMOFBMC-UHFFFAOYSA-N -1 3 307.357 2.610 20 70 DFIDHM CCc1cccc(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000160545431 295392625 /nfs/dbraw/zinc/39/26/25/295392625.db2.gz DFGDNKSOMOFBMC-UHFFFAOYSA-N -1 3 307.357 2.610 20 70 DFIDHM O=C(CCCOc1ccc(F)cc1)[N-]OCc1cccnc1 ZINC000160806938 197440442 /nfs/dbraw/zinc/44/04/42/197440442.db2.gz TZWQCIYFRUDDHO-UHFFFAOYSA-N -1 3 304.321 2.628 20 70 DFIDHM CCCCc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000159936024 197375113 /nfs/dbraw/zinc/37/51/13/197375113.db2.gz XWFSCIAVGUIERL-UHFFFAOYSA-N -1 3 311.382 2.833 20 70 DFIDHM CC(C)CO[N-]C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000159767339 197362547 /nfs/dbraw/zinc/36/25/47/197362547.db2.gz PJPXYMVRWHQRCA-UHFFFAOYSA-N -1 3 319.405 2.908 20 70 DFIDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(OC)ccc2[O-])C12CCC2 ZINC000159482191 197356908 /nfs/dbraw/zinc/35/69/08/197356908.db2.gz KCYHUDTVZFPFFY-JKSUJKDBSA-N -1 3 319.401 2.821 20 70 DFIDHM COc1cc(C(=O)NCc2ccccc2Cl)cc(OC)c1[O-] ZINC000160776356 425995964 /nfs/dbraw/zinc/99/59/64/425995964.db2.gz FNDZHHHGZPDIQO-UHFFFAOYSA-N -1 3 321.760 2.993 20 70 DFIDHM O=C1[N-]C(=O)c2cc(NCc3cc(F)cc(Cl)c3)ccc21 ZINC000160809337 425996727 /nfs/dbraw/zinc/99/67/27/425996727.db2.gz JCBKKOAYGXRRTC-UHFFFAOYSA-N -1 3 304.708 2.975 20 70 DFIDHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(O)c1 ZINC000159785008 425967829 /nfs/dbraw/zinc/96/78/29/425967829.db2.gz SCZAKDJWICSFHE-JTQLQIEISA-N -1 3 304.321 2.797 20 70 DFIDHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(C2CCCC2)n1 ZINC000159804422 425967856 /nfs/dbraw/zinc/96/78/56/425967856.db2.gz CYOWDYAZGAZQLY-UHFFFAOYSA-N -1 3 303.337 2.773 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)[n-]2)o1 ZINC000160294034 425978054 /nfs/dbraw/zinc/97/80/54/425978054.db2.gz QIRQXIYEMPNIOE-QMTHXVAHSA-N -1 3 324.340 2.876 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)n2)o1 ZINC000160294034 425978057 /nfs/dbraw/zinc/97/80/57/425978057.db2.gz QIRQXIYEMPNIOE-QMTHXVAHSA-N -1 3 324.340 2.876 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)n[n-]2)o1 ZINC000160294034 425978060 /nfs/dbraw/zinc/97/80/60/425978060.db2.gz QIRQXIYEMPNIOE-QMTHXVAHSA-N -1 3 324.340 2.876 20 70 DFIDHM Cc1ccc([O-])c(CNc2cc(C(=O)NC3CC3)ccc2C)n1 ZINC000160267950 425978214 /nfs/dbraw/zinc/97/82/14/425978214.db2.gz DHRDXZQUIAZWEH-UHFFFAOYSA-N -1 3 311.385 2.908 20 70 DFIDHM Cn1cnc(-c2cccc(NC([O-])=NOCc3ccccc3)c2)n1 ZINC000161486461 426027042 /nfs/dbraw/zinc/02/70/42/426027042.db2.gz UWACGMVYIBYFDY-UHFFFAOYSA-N -1 3 323.356 2.735 20 70 DFIDHM Cn1cnc(-c2cccc(NC(=O)[N-]OCc3ccccc3)c2)n1 ZINC000161486461 426027044 /nfs/dbraw/zinc/02/70/44/426027044.db2.gz UWACGMVYIBYFDY-UHFFFAOYSA-N -1 3 323.356 2.735 20 70 DFIDHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3cccnc3)c[n-]c12 ZINC000161194995 426012149 /nfs/dbraw/zinc/01/21/49/426012149.db2.gz YWDJADHYYPYTOC-UHFFFAOYSA-N -1 3 307.353 2.916 20 70 DFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1)c1nccs1 ZINC000159972938 295384558 /nfs/dbraw/zinc/38/45/58/295384558.db2.gz GHGTYQWBNZTOLY-GFCCVEGCSA-N -1 3 312.416 2.581 20 70 DFIDHM COCCOc1cccc(CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000160008282 295385054 /nfs/dbraw/zinc/38/50/54/295385054.db2.gz PMWDPYLYNSIUQZ-UHFFFAOYSA-N -1 3 319.332 2.738 20 70 DFIDHM COc1cc(C(=O)NCc2ccccc2C)cc(OC)c1[O-] ZINC000161017528 295397614 /nfs/dbraw/zinc/39/76/14/295397614.db2.gz XUODCAAUUNXKHF-UHFFFAOYSA-N -1 3 301.342 2.648 20 70 DFIDHM COc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(OC)c1[O-] ZINC000161200217 295399799 /nfs/dbraw/zinc/39/97/99/295399799.db2.gz VBTZPTATBFVTBB-UHFFFAOYSA-N -1 3 319.332 2.787 20 70 DFIDHM CNC(=O)c1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000161420876 295402527 /nfs/dbraw/zinc/40/25/27/295402527.db2.gz CEVQYUIHWRVXQD-UHFFFAOYSA-N -1 3 318.760 2.586 20 70 DFIDHM COc1cc(C(=O)Nc2ccc(F)c(F)c2)cc(OC)c1[O-] ZINC000160777746 315875977 /nfs/dbraw/zinc/87/59/77/315875977.db2.gz DLPGNFLMYKWDLY-UHFFFAOYSA-N -1 3 309.268 2.940 20 70 DFIDHM CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160376258 518327822 /nfs/dbraw/zinc/32/78/22/518327822.db2.gz KQXBAHFJIXDRQV-UHFFFAOYSA-N -1 3 310.313 2.828 20 70 DFIDHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160376258 518327826 /nfs/dbraw/zinc/32/78/26/518327826.db2.gz KQXBAHFJIXDRQV-UHFFFAOYSA-N -1 3 310.313 2.828 20 70 DFIDHM CC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160376258 518327835 /nfs/dbraw/zinc/32/78/35/518327835.db2.gz KQXBAHFJIXDRQV-UHFFFAOYSA-N -1 3 310.313 2.828 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc4[nH]cnc4c3)[n-]2)o1 ZINC000160290125 525853327 /nfs/dbraw/zinc/85/33/27/525853327.db2.gz UYFSFWDCXKQPCU-UHFFFAOYSA-N -1 3 308.301 2.502 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4[nH]cnc4c3)n2)o1 ZINC000160290125 525853331 /nfs/dbraw/zinc/85/33/31/525853331.db2.gz UYFSFWDCXKQPCU-UHFFFAOYSA-N -1 3 308.301 2.502 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc4[nH]cnc4c3)n[n-]2)o1 ZINC000160290125 525853336 /nfs/dbraw/zinc/85/33/36/525853336.db2.gz UYFSFWDCXKQPCU-UHFFFAOYSA-N -1 3 308.301 2.502 20 70 DFIDHM CCOC(=O)N[N-]C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000159468351 398964927 /nfs/dbraw/zinc/96/49/27/398964927.db2.gz CXOZVNKVCKTCEY-UHFFFAOYSA-N -1 3 310.659 2.750 20 70 DFIDHM CC[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)c1nccs1 ZINC000159911665 398967942 /nfs/dbraw/zinc/96/79/42/398967942.db2.gz CFBKENCILKTLQC-LBPRGKRZSA-N -1 3 314.407 2.853 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)c3cnn(C(C)(C)C)c3)[n-]2)o1 ZINC000160280146 197397855 /nfs/dbraw/zinc/39/78/55/197397855.db2.gz HMOJEFYDIRQAKG-UHFFFAOYSA-N -1 3 314.349 2.577 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(C(C)(C)C)c3)n2)o1 ZINC000160280146 197397857 /nfs/dbraw/zinc/39/78/57/197397857.db2.gz HMOJEFYDIRQAKG-UHFFFAOYSA-N -1 3 314.349 2.577 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)c3cnn(C(C)(C)C)c3)n[n-]2)o1 ZINC000160280146 197397859 /nfs/dbraw/zinc/39/78/59/197397859.db2.gz HMOJEFYDIRQAKG-UHFFFAOYSA-N -1 3 314.349 2.577 20 70 DFIDHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(O)cc2[O-])C12CCC2 ZINC000159475764 197357262 /nfs/dbraw/zinc/35/72/62/197357262.db2.gz JGHZMQXENDSDAC-GJZGRUSLSA-N -1 3 305.374 2.518 20 70 DFIDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccn1 ZINC000160771284 425995828 /nfs/dbraw/zinc/99/58/28/425995828.db2.gz JYKBUICRPIVOPV-JTQLQIEISA-N -1 3 321.789 2.646 20 70 DFIDHM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc(OC)c1[O-] ZINC000160868385 425999009 /nfs/dbraw/zinc/99/90/09/425999009.db2.gz GXRDAZKCVKCMDY-NQBHXWOUSA-N -1 3 307.390 2.964 20 70 DFIDHM Cc1ccc([O-])c(CN(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000160922824 426002223 /nfs/dbraw/zinc/00/22/23/426002223.db2.gz DYUMKBPBUSFTQK-UHFFFAOYSA-N -1 3 313.401 2.783 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)CCC(=O)c3ccccc3)[n-]2)o1 ZINC000160348762 425979081 /nfs/dbraw/zinc/97/90/81/425979081.db2.gz XHUYYSGAGPUEAL-UHFFFAOYSA-N -1 3 324.340 2.975 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC(=O)c3ccccc3)n2)o1 ZINC000160348762 425979084 /nfs/dbraw/zinc/97/90/84/425979084.db2.gz XHUYYSGAGPUEAL-UHFFFAOYSA-N -1 3 324.340 2.975 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccccc3)n[n-]2)o1 ZINC000160348762 425979086 /nfs/dbraw/zinc/97/90/86/425979086.db2.gz XHUYYSGAGPUEAL-UHFFFAOYSA-N -1 3 324.340 2.975 20 70 DFIDHM COc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccccc2F)c1 ZINC000161426431 426022700 /nfs/dbraw/zinc/02/27/00/426022700.db2.gz KDYSRIKNUWPFLB-AWEZNQCLSA-N -1 3 300.289 2.535 20 70 DFIDHM CC1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCOCC1 ZINC000161066022 426007778 /nfs/dbraw/zinc/00/77/78/426007778.db2.gz DDSIUYYJAUGFTM-UHFFFAOYSA-N -1 3 323.336 2.553 20 70 DFIDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cc(-c3cccnc3)on2)n1 ZINC000161008640 295397524 /nfs/dbraw/zinc/39/75/24/295397524.db2.gz IGLPUKHEQGIRRB-UHFFFAOYSA-N -1 3 322.328 2.638 20 70 DFIDHM CN(CCC1CCOCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000160369724 522710886 /nfs/dbraw/zinc/71/08/86/522710886.db2.gz HSLZUSUTRAHCMT-UHFFFAOYSA-N -1 3 311.809 2.863 20 70 DFIDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c(F)c1 ZINC000160359647 523764090 /nfs/dbraw/zinc/76/40/90/523764090.db2.gz YZSGJZBJVGRDQP-UHFFFAOYSA-N -1 3 316.292 2.773 20 70 DFIDHM COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c(F)c1 ZINC000160359647 523764093 /nfs/dbraw/zinc/76/40/93/523764093.db2.gz YZSGJZBJVGRDQP-UHFFFAOYSA-N -1 3 316.292 2.773 20 70 DFIDHM COc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(F)c1 ZINC000160359647 523764100 /nfs/dbraw/zinc/76/41/00/523764100.db2.gz YZSGJZBJVGRDQP-UHFFFAOYSA-N -1 3 316.292 2.773 20 70 DFIDHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[N-]OCC(C)C ZINC000159728883 186137900 /nfs/dbraw/zinc/13/79/00/186137900.db2.gz FAMSBXWOVQUGQX-UHFFFAOYSA-N -1 3 319.405 2.940 20 70 DFIDHM Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000160734346 197435179 /nfs/dbraw/zinc/43/51/79/197435179.db2.gz PBQJPNFRAPBKGM-VIFPVBQESA-N -1 3 306.337 2.946 20 70 DFIDHM COc1cc(C(=O)NCCc2ccc(C)cc2)cc(OC)c1[O-] ZINC000160208643 197393382 /nfs/dbraw/zinc/39/33/82/197393382.db2.gz VUSLQHZCHQKZQK-UHFFFAOYSA-N -1 3 315.369 2.690 20 70 DFIDHM Cn1cnc(-c2ccc(NC([O-])=NOCc3ccccc3)cc2)n1 ZINC000160594553 425988584 /nfs/dbraw/zinc/98/85/84/425988584.db2.gz QVSPFNKWLDJCRQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/39/75/17/295397517.db2.gz SWGZJNSTGDOUQQ-UHFFFAOYSA-N -1 3 319.332 2.521 20 70 DFIDHM C[C@H](C#N)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000160615295 333362980 /nfs/dbraw/zinc/36/29/80/333362980.db2.gz XMJWPOWPYHRISR-SSDOTTSWSA-N -1 3 300.792 2.745 20 70 DFIDHM COc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000160056652 197382761 /nfs/dbraw/zinc/38/27/61/197382761.db2.gz STJUKTIOHWUBJO-GFCCVEGCSA-N -1 3 305.374 2.622 20 70 DFIDHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000160550093 425985990 /nfs/dbraw/zinc/98/59/90/425985990.db2.gz YLBJCFOEMZSOFL-LBPRGKRZSA-N -1 3 315.369 2.810 20 70 DFIDHM COc1ccc(C(=O)NCc2nc(C(C)C)cs2)c([O-])c1 ZINC000160581519 425988578 /nfs/dbraw/zinc/98/85/78/425988578.db2.gz YUDLUZSDVHITOZ-UHFFFAOYSA-N -1 3 306.387 2.911 20 70 DFIDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000160754790 425994786 /nfs/dbraw/zinc/99/47/86/425994786.db2.gz GMVFBJOPGRPQTO-UHFFFAOYSA-N -1 3 306.774 2.690 20 70 DFIDHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc(OC)c1[O-] ZINC000160868511 425999152 /nfs/dbraw/zinc/99/91/52/425999152.db2.gz GXRDAZKCVKCMDY-DMDPSCGWSA-N -1 3 307.390 2.964 20 70 DFIDHM COc1cc(C(=O)N(C)Cc2ccc(C)cc2)cc(OC)c1[O-] ZINC000160955019 426002977 /nfs/dbraw/zinc/00/29/77/426002977.db2.gz BVZJVNCGZLQVAW-UHFFFAOYSA-N -1 3 315.369 2.990 20 70 DFIDHM COc1ccc(C(=O)NCCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000159558481 425963394 /nfs/dbraw/zinc/96/33/94/425963394.db2.gz RBBWSNZAVZJBEV-UHFFFAOYSA-N -1 3 310.353 2.855 20 70 DFIDHM C[C@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])O1 ZINC000159879271 425968414 /nfs/dbraw/zinc/96/84/14/425968414.db2.gz UBDQIWFYCUUYNB-CPCISQLKSA-N -1 3 300.152 2.661 20 70 DFIDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160196612 425975891 /nfs/dbraw/zinc/97/58/91/425975891.db2.gz KQCZAKWHDIHMFV-UHFFFAOYSA-N -1 3 310.806 2.680 20 70 DFIDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c(C)c1 ZINC000160210656 425975962 /nfs/dbraw/zinc/97/59/62/425975962.db2.gz 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425980140 /nfs/dbraw/zinc/98/01/40/425980140.db2.gz KUDXWWRMIOYILU-NSHDSACASA-N -1 3 304.350 2.661 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@@H]3CCCCO3)n2)o1 ZINC000160385710 425980142 /nfs/dbraw/zinc/98/01/42/425980142.db2.gz KUDXWWRMIOYILU-NSHDSACASA-N -1 3 304.350 2.661 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)CC[C@@H]3CCCCO3)n[n-]2)o1 ZINC000160385710 425980143 /nfs/dbraw/zinc/98/01/43/425980143.db2.gz KUDXWWRMIOYILU-NSHDSACASA-N -1 3 304.350 2.661 20 70 DFIDHM O=C(NC1CCN(C2CC2)CC1)c1cc(F)cc(Cl)c1[O-] ZINC000161403947 426023455 /nfs/dbraw/zinc/02/34/55/426023455.db2.gz QYYVRPSPHSIQQZ-UHFFFAOYSA-N -1 3 312.772 2.541 20 70 DFIDHM Cc1cc(C[C@H](C)NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000161329226 426020281 /nfs/dbraw/zinc/02/02/81/426020281.db2.gz OCYWQHJUAPOIFP-NSHDSACASA-N -1 3 309.369 2.938 20 70 DFIDHM COc1ccc([O-])c(C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000159642113 295379548 /nfs/dbraw/zinc/37/95/48/295379548.db2.gz IMGAXQYRZMOEHZ-UHFFFAOYSA-N -1 3 310.353 2.855 20 70 DFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)s1)c1nccs1 ZINC000159977164 295384461 /nfs/dbraw/zinc/38/44/61/295384461.db2.gz YZPAECPTOIYKRY-VIFPVBQESA-N -1 3 302.446 2.943 20 70 DFIDHM Cc1nc(C)c(CCC(=O)NCC(C)(C)C2CCCC2)c(=O)[n-]1 ZINC000160066438 295386011 /nfs/dbraw/zinc/38/60/11/295386011.db2.gz FXESKCLACXAVQT-UHFFFAOYSA-N -1 3 319.449 2.652 20 70 DFIDHM COc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(OC)c1[O-] ZINC000161177653 295399615 /nfs/dbraw/zinc/39/96/15/295399615.db2.gz COKFHGVEKOUGSC-UHFFFAOYSA-N -1 3 319.332 2.787 20 70 DFIDHM COc1ccc(C(=O)N[C@H](C#N)c2ccccc2F)c([O-])c1 ZINC000161453295 332673821 /nfs/dbraw/zinc/67/38/21/332673821.db2.gz RIWQYVTUSDXLQK-CQSZACIVSA-N -1 3 300.289 2.535 20 70 DFIDHM Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000159950091 398967134 /nfs/dbraw/zinc/96/71/34/398967134.db2.gz HSTITLWTKAXHOC-QMMMGPOBSA-N -1 3 307.325 2.697 20 70 DFIDHM Cc1ccc(-c2nnco2)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000160184370 197391758 /nfs/dbraw/zinc/39/17/58/197391758.db2.gz AUFQEFZLOFUVRD-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/85/33/90/525853390.db2.gz QIRQXIYEMPNIOE-IINYFYTJSA-N -1 3 324.340 2.876 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3Oc4ccccc4[C@@H]3C)n[n-]2)o1 ZINC000160294309 525853394 /nfs/dbraw/zinc/85/33/94/525853394.db2.gz QIRQXIYEMPNIOE-IINYFYTJSA-N -1 3 324.340 2.876 20 70 DFIDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)ccc2[O-])C12CCC2 ZINC000159482301 197356539 /nfs/dbraw/zinc/35/65/39/197356539.db2.gz KCYHUDTVZFPFFY-HOTGVXAUSA-N -1 3 319.401 2.821 20 70 DFIDHM CC(C)CO[N-]C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000160450812 425982695 /nfs/dbraw/zinc/98/26/95/425982695.db2.gz RFNBNULBNLTKGJ-ZDUSSCGKSA-N -1 3 307.394 2.621 20 70 DFIDHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000160550231 425986224 /nfs/dbraw/zinc/98/62/24/425986224.db2.gz YLBJCFOEMZSOFL-GFCCVEGCSA-N -1 3 315.369 2.810 20 70 DFIDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2OC)C2CC2)n1 ZINC000160926238 426001704 /nfs/dbraw/zinc/00/17/04/426001704.db2.gz DGFJWBXUIAIJRG-UHFFFAOYSA-N -1 3 313.401 2.918 20 70 DFIDHM CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000160332824 425979409 /nfs/dbraw/zinc/97/94/09/425979409.db2.gz KJUMLHHRQUUAMG-MRVPVSSYSA-N -1 3 312.218 2.697 20 70 DFIDHM Cc1cc(S(=O)(=O)[N-]C2(C)CCOCC2)c(Cl)cc1F ZINC000161063681 426008082 /nfs/dbraw/zinc/00/80/82/426008082.db2.gz JNYFWJAWPYONGD-UHFFFAOYSA-N -1 3 321.801 2.635 20 70 DFIDHM COC(=O)C[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000161223764 426013761 /nfs/dbraw/zinc/01/37/61/426013761.db2.gz CADJBQXWONUHKB-ZETCQYMHSA-N -1 3 305.252 2.549 20 70 DFIDHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1nccs1 ZINC000159947208 295383926 /nfs/dbraw/zinc/38/39/26/295383926.db2.gz SBWGJHQYVRLTQX-LLVKDONJSA-N -1 3 318.370 2.851 20 70 DFIDHM COc1cc(C(=O)NCc2ccc(C)cc2)cc(OC)c1[O-] ZINC000160887983 295396296 /nfs/dbraw/zinc/39/62/96/295396296.db2.gz ZSQHVTPIICELSH-UHFFFAOYSA-N -1 3 301.342 2.648 20 70 DFIDHM CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000160973335 295397187 /nfs/dbraw/zinc/39/71/87/295397187.db2.gz 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/nfs/dbraw/zinc/01/99/26/304019926.db2.gz HNRALRVZZMVCAU-BDAKNGLRSA-N -1 3 302.300 2.978 20 70 DFIDHM COC(=O)c1ccc(NC(=O)[N-]OCC(C)C)cc1Cl ZINC000160399817 197407388 /nfs/dbraw/zinc/40/73/88/197407388.db2.gz XJTJEMLBSWIOFM-UHFFFAOYSA-N -1 3 300.742 2.836 20 70 DFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3C=CCCC3)c[n-]c12 ZINC000160380289 267537605 /nfs/dbraw/zinc/53/76/05/267537605.db2.gz YKBBVUSVXMICOW-GFCCVEGCSA-N -1 3 300.333 2.814 20 70 DFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(OC(F)F)cc2)n1 ZINC000160522304 425985695 /nfs/dbraw/zinc/98/56/95/425985695.db2.gz LEAQULMKUPAODN-UHFFFAOYSA-N -1 3 323.343 2.978 20 70 DFIDHM COc1cccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000160557732 425987720 /nfs/dbraw/zinc/98/77/20/425987720.db2.gz YNTHRRPTZYLZLC-GFCCVEGCSA-N -1 3 315.369 2.810 20 70 DFIDHM CC(C)c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cn1 ZINC000160771423 425995472 /nfs/dbraw/zinc/99/54/72/425995472.db2.gz FEAIOFZGBDOVBP-UHFFFAOYSA-N -1 3 322.372 2.561 20 70 DFIDHM CC(C)c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cn1 ZINC000160771423 425995476 /nfs/dbraw/zinc/99/54/76/425995476.db2.gz FEAIOFZGBDOVBP-UHFFFAOYSA-N -1 3 322.372 2.561 20 70 DFIDHM COc1cc(C(=O)N(C)Cc2ccccc2C)cc(OC)c1[O-] ZINC000160950085 426003171 /nfs/dbraw/zinc/00/31/71/426003171.db2.gz FIJZYGFNOPVVFW-UHFFFAOYSA-N -1 3 315.369 2.990 20 70 DFIDHM CC1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000160986505 426004599 /nfs/dbraw/zinc/00/45/99/426004599.db2.gz YAHPJIBAUAMVGG-UHFFFAOYSA-N -1 3 324.229 2.841 20 70 DFIDHM O=C(c1ccc(O)cc1[O-])N1CCOC2(C1)CCCCCC2 ZINC000159387670 425959409 /nfs/dbraw/zinc/95/94/09/425959409.db2.gz DWXROEBHZVSTQR-UHFFFAOYSA-N -1 3 305.374 2.663 20 70 DFIDHM COc1cc(C(=O)NCc2ccc(C)cc2C)cc(OC)c1[O-] ZINC000161408862 426023502 /nfs/dbraw/zinc/02/35/02/426023502.db2.gz WCHXHXQJJVJINJ-UHFFFAOYSA-N -1 3 315.369 2.956 20 70 DFIDHM CS[C@@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161141114 426010174 /nfs/dbraw/zinc/01/01/74/426010174.db2.gz VKPXSHKVDRMKCU-NSHDSACASA-N -1 3 317.414 2.825 20 70 DFIDHM Cc1cc(C[C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000161329126 426018152 /nfs/dbraw/zinc/01/81/52/426018152.db2.gz OCYWQHJUAPOIFP-LLVKDONJSA-N -1 3 309.369 2.938 20 70 DFIDHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)[C@@H](C)CO1 ZINC000217782130 297030055 /nfs/dbraw/zinc/03/00/55/297030055.db2.gz NCMFPPOIGQRISN-VHSXEESVSA-N -1 3 300.196 2.764 20 70 DFIDHM COc1cccc(C(=O)N2CCOC3(C2)CCCCCC3)c1[O-] ZINC000159390327 295284946 /nfs/dbraw/zinc/28/49/46/295284946.db2.gz MBGFEGSDLLMPAQ-UHFFFAOYSA-N -1 3 319.401 2.966 20 70 DFIDHM COc1cc(C(=O)NCc2cccc(C)c2)cc(OC)c1[O-] ZINC000161351251 295402028 /nfs/dbraw/zinc/40/20/28/295402028.db2.gz LVHGRZKOBIRGJB-UHFFFAOYSA-N -1 3 301.342 2.648 20 70 DFIDHM CCN(Cc1cc(Br)ccc1[O-])CC(OC)OC ZINC000161335056 521286908 /nfs/dbraw/zinc/28/69/08/521286908.db2.gz LGPFVBOKISDGQV-UHFFFAOYSA-N -1 3 318.211 2.596 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)[n-]2)o1 ZINC000160308829 525849181 /nfs/dbraw/zinc/84/91/81/525849181.db2.gz BDZOTPNWMPFVRS-LLVKDONJSA-N -1 3 312.329 2.779 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Oc3ccccc3)n2)o1 ZINC000160308829 525849189 /nfs/dbraw/zinc/84/91/89/525849189.db2.gz BDZOTPNWMPFVRS-LLVKDONJSA-N -1 3 312.329 2.779 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3)n[n-]2)o1 ZINC000160308829 525849199 /nfs/dbraw/zinc/84/91/99/525849199.db2.gz BDZOTPNWMPFVRS-LLVKDONJSA-N -1 3 312.329 2.779 20 70 DFIDHM Cc1nc(C)c(CCNC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000159443912 398965064 /nfs/dbraw/zinc/96/50/64/398965064.db2.gz BMIINVJBKJXLBG-UHFFFAOYSA-N -1 3 323.393 2.647 20 70 DFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nccs1 ZINC000159915288 398968006 /nfs/dbraw/zinc/96/80/06/398968006.db2.gz XNQBVUCKHXKGNF-NSHDSACASA-N -1 3 318.370 2.851 20 70 DFIDHM CCn1cnnc1-c1ccccc1NC(=O)[N-]OCC(C)C ZINC000160266664 197396472 /nfs/dbraw/zinc/39/64/72/197396472.db2.gz IPCLELAFONFVGW-UHFFFAOYSA-N -1 3 303.366 2.674 20 70 DFIDHM Cc1ccc(C(=O)CCC(=O)[N-]OCc2cccnc2)s1 ZINC000160724876 425993724 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DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CO[C@H]3CCCC[C@H]3C)n2)o1 ZINC000160386347 525847557 /nfs/dbraw/zinc/84/75/57/525847557.db2.gz RZKCFTYAGZZXIC-PWSUYJOCSA-N -1 3 318.377 2.907 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)CO[C@H]3CCCC[C@H]3C)n[n-]2)o1 ZINC000160386347 525847567 /nfs/dbraw/zinc/84/75/67/525847567.db2.gz RZKCFTYAGZZXIC-PWSUYJOCSA-N -1 3 318.377 2.907 20 70 DFIDHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C)cc1 ZINC000159675837 526554961 /nfs/dbraw/zinc/55/49/61/526554961.db2.gz MMZWRBRUJQJYCO-LLVKDONJSA-N -1 3 308.403 2.682 20 70 DFIDHM CC1([N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000159908789 197372676 /nfs/dbraw/zinc/37/26/76/197372676.db2.gz TWZGSPACTGAWPM-UHFFFAOYSA-N -1 3 310.238 2.732 20 70 DFIDHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(=O)c2c1 ZINC000161132224 291838764 /nfs/dbraw/zinc/83/87/64/291838764.db2.gz IAQAIPGZOJEIJL-BETUJISGSA-N -1 3 314.385 2.807 20 70 DFIDHM COc1cc(C(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc(OC)c1[O-] ZINC000160868265 425999298 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COCCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161134388 426010037 /nfs/dbraw/zinc/01/00/37/426010037.db2.gz XIUGLLOMYOOQGX-UHFFFAOYSA-N -1 3 315.373 2.501 20 70 DFIDHM COc1cc(C(=O)N[C@H]2CCc3ccccc32)cc(OC)c1[O-] ZINC000161178408 426012533 /nfs/dbraw/zinc/01/25/33/426012533.db2.gz RORJLLACBPMNCY-AWEZNQCLSA-N -1 3 313.353 2.827 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)[n-]2)o1 ZINC000160292571 295389336 /nfs/dbraw/zinc/38/93/36/295389336.db2.gz JBWMULSTFTZWDG-CMPLNLGQSA-N -1 3 318.377 2.907 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CO[C@@H]3CCC[C@H](C)C3)n2)o1 ZINC000160292571 295389337 /nfs/dbraw/zinc/38/93/37/295389337.db2.gz JBWMULSTFTZWDG-CMPLNLGQSA-N -1 3 318.377 2.907 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)n[n-]2)o1 ZINC000160292571 295389338 /nfs/dbraw/zinc/38/93/38/295389338.db2.gz JBWMULSTFTZWDG-CMPLNLGQSA-N -1 3 318.377 2.907 20 70 DFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3)[n-]2)o1 ZINC000160308938 525852444 /nfs/dbraw/zinc/85/24/44/525852444.db2.gz BDZOTPNWMPFVRS-NSHDSACASA-N -1 3 312.329 2.779 20 70 DFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3ccccc3)n2)o1 ZINC000160308938 525852456 /nfs/dbraw/zinc/85/24/56/525852456.db2.gz BDZOTPNWMPFVRS-NSHDSACASA-N -1 3 312.329 2.779 20 70 DFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3)n[n-]2)o1 ZINC000160308938 525852467 /nfs/dbraw/zinc/85/24/67/525852467.db2.gz BDZOTPNWMPFVRS-NSHDSACASA-N -1 3 312.329 2.779 20 70 DFIDHM CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000159650927 186132942 /nfs/dbraw/zinc/13/29/42/186132942.db2.gz KJMNOJHVIJFFSW-UHFFFAOYSA-N -1 3 320.389 2.522 20 70 DFIDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OC)cc2[O-])C12CCC2 ZINC000159481296 197357268 /nfs/dbraw/zinc/35/72/68/197357268.db2.gz ZBUZNOWWWPNMKT-HZPDHXFCSA-N -1 3 319.401 2.821 20 70 DFIDHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(OC)cc2[O-])C12CCC2 ZINC000159481183 197356995 /nfs/dbraw/zinc/35/69/95/197356995.db2.gz ZBUZNOWWWPNMKT-HOTGVXAUSA-N -1 3 319.401 2.821 20 70 DFIDHM CCO[N-]C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000159472182 286187024 /nfs/dbraw/zinc/18/70/24/286187024.db2.gz XOMAYDAZBFYICT-AWEZNQCLSA-N -1 3 316.323 2.509 20 70 DFIDHM CC(C)CO[N-]C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000160511964 425984948 /nfs/dbraw/zinc/98/49/48/425984948.db2.gz LAYAQDYJEZXKHS-UHFFFAOYSA-N -1 3 309.435 2.949 20 70 DFIDHM CCc1cc(=O)[n-]c(CN2CCC(c3ccc(O)cc3)CC2)n1 ZINC000160642435 425991587 /nfs/dbraw/zinc/99/15/87/425991587.db2.gz IVAZAXGMDJQNCX-UHFFFAOYSA-N -1 3 313.401 2.830 20 70 DFIDHM COc1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000161015139 426004991 /nfs/dbraw/zinc/00/49/91/426004991.db2.gz RKMZOLWIVJZNQH-UHFFFAOYSA-N -1 3 307.390 2.821 20 70 DFIDHM CS[C@H](C)CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000159533181 425961462 /nfs/dbraw/zinc/96/14/62/425961462.db2.gz SSPSFVRGFHFQJY-LLVKDONJSA-N -1 3 317.414 2.825 20 70 DFIDHM C[C@H](CO)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000159604595 425964307 /nfs/dbraw/zinc/96/43/07/425964307.db2.gz MQVNGQFFXGYQOE-LBPRGKRZSA-N -1 3 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